----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:54:34]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.909229329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.145439810000000 Atomic positions (fractional): *1 Nb 0.16512620040708 0.68143758732001 0.23760132775031 92.906 2 Nb 0.16512620040708 0.31856241267999 0.73760132775031 92.906 3 Nb 0.33487379959292 0.81856241267999 0.73760132775031 92.906 4 Nb 0.33487379959292 0.18143758732001 0.23760132775031 92.906 5 Nb 0.66512620040708 0.81856241267999 0.76239867224969 92.906 6 Nb 0.66512620040708 0.18143758732001 0.26239867224969 92.906 7 Nb 0.83487379959292 0.68143758732001 0.26239867224969 92.906 8 Nb 0.83487379959292 0.31856241267999 0.76239867224969 92.906 *9 Cd 0.00000000000000 0.80899527866860 0.75000000000000 112.411 10 Cd 0.00000000000000 0.19100472133140 0.25000000000000 112.411 11 Cd 0.50000000000000 0.69100472133140 0.25000000000000 112.411 12 Cd 0.50000000000000 0.30899527866860 0.75000000000000 112.411 *13 O 0.08531965106262 0.88363274214090 0.10480843085935 15.999 14 O 0.08531965106262 0.11636725785910 0.60480843085935 15.999 *15 O 0.10314919394105 0.59134389808997 0.55308100365816 15.999 16 O 0.10314919394105 0.40865610191003 0.05308100365816 15.999 *17 O 0.24432616698775 0.62959305183152 0.91101299471468 15.999 18 O 0.24432616698775 0.37040694816848 0.41101299471468 15.999 19 O 0.25567383301224 0.87040694816848 0.41101299471468 15.999 20 O 0.25567383301224 0.12959305183152 0.91101299471468 15.999 21 O 0.39685080605896 0.90865610191003 0.05308100365816 15.999 22 O 0.39685080605896 0.09134389808997 0.55308100365816 15.999 23 O 0.41468034893738 0.61636725785910 0.60480843085935 15.999 24 O 0.41468034893738 0.38363274214090 0.10480843085935 15.999 25 O 0.58531965106262 0.61636725785910 0.89519156914065 15.999 26 O 0.58531965106262 0.38363274214090 0.39519156914065 15.999 27 O 0.60314919394105 0.90865610191003 0.44691899634184 15.999 28 O 0.60314919394105 0.09134389808997 0.94691899634184 15.999 29 O 0.74432616698775 0.87040694816848 0.08898700528532 15.999 30 O 0.74432616698775 0.12959305183152 0.58898700528532 15.999 31 O 0.75567383301225 0.62959305183152 0.58898700528532 15.999 32 O 0.75567383301225 0.37040694816848 0.08898700528532 15.999 33 O 0.89685080605895 0.59134389808997 0.94691899634184 15.999 34 O 0.89685080605895 0.40865610191003 0.44691899634184 15.999 35 O 0.91468034893738 0.88363274214090 0.39519156914065 15.999 36 O 0.91468034893738 0.11636725785910 0.89519156914065 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.909229329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.145439810000000 Atomic positions (fractional): *1 Nb 0.16512620040708 0.68143758732001 0.23760132775031 92.906 > 1 2 Nb 0.16512620040708 0.31856241267999 0.73760132775031 92.906 > 2 3 Nb 0.33487379959292 0.81856241267999 0.73760132775031 92.906 > 3 4 Nb 0.33487379959292 0.18143758732001 0.23760132775031 92.906 > 4 5 Nb 0.66512620040708 0.81856241267999 0.76239867224969 92.906 > 5 6 Nb 0.66512620040708 0.18143758732001 0.26239867224969 92.906 > 6 7 Nb 0.83487379959292 0.68143758732001 0.26239867224969 92.906 > 7 8 Nb 0.83487379959292 0.31856241267999 0.76239867224969 92.906 > 8 *9 Cd 0.00000000000000 0.80899527866860 0.75000000000000 112.411 > 9 10 Cd 0.00000000000000 0.19100472133140 0.25000000000000 112.411 > 10 11 Cd 0.50000000000000 0.69100472133140 0.25000000000000 112.411 > 11 12 Cd 0.50000000000000 0.30899527866860 0.75000000000000 112.411 > 12 *13 O 0.08531965106262 0.88363274214090 0.10480843085935 15.999 > 13 14 O 0.08531965106262 0.11636725785910 0.60480843085935 15.999 > 14 *15 O 0.10314919394105 0.59134389808997 0.55308100365816 15.999 > 15 16 O 0.10314919394105 0.40865610191003 0.05308100365816 15.999 > 16 *17 O 0.24432616698775 0.62959305183152 0.91101299471468 15.999 > 17 18 O 0.24432616698775 0.37040694816848 0.41101299471468 15.999 > 18 19 O 0.25567383301224 0.87040694816848 0.41101299471468 15.999 > 19 20 O 0.25567383301224 0.12959305183152 0.91101299471468 15.999 > 20 21 O 0.39685080605896 0.90865610191003 0.05308100365816 15.999 > 21 22 O 0.39685080605896 0.09134389808997 0.55308100365816 15.999 > 22 23 O 0.41468034893738 0.61636725785910 0.60480843085935 15.999 > 23 24 O 0.41468034893738 0.38363274214090 0.10480843085935 15.999 > 24 25 O 0.58531965106262 0.61636725785910 0.89519156914065 15.999 > 25 26 O 0.58531965106262 0.38363274214090 0.39519156914065 15.999 > 26 27 O 0.60314919394105 0.90865610191003 0.44691899634184 15.999 > 27 28 O 0.60314919394105 0.09134389808997 0.94691899634184 15.999 > 28 29 O 0.74432616698775 0.87040694816848 0.08898700528532 15.999 > 29 30 O 0.74432616698775 0.12959305183152 0.58898700528532 15.999 > 30 31 O 0.75567383301225 0.62959305183152 0.58898700528532 15.999 > 31 32 O 0.75567383301225 0.37040694816848 0.08898700528532 15.999 > 32 33 O 0.89685080605895 0.59134389808997 0.94691899634184 15.999 > 33 34 O 0.89685080605895 0.40865610191003 0.44691899634184 15.999 > 34 35 O 0.91468034893738 0.88363274214090 0.39519156914065 15.999 > 35 36 O 0.91468034893738 0.11636725785910 0.89519156914065 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.818458659999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.290879620000000 Atomic positions (fractional): *1 Nb 0.16512620040708 0.34071879366000 0.11880066387516 92.906 > 1 2 Nb 0.16512620040708 0.84071879366000 0.11880066387516 92.906 > 1 3 Nb 0.16512620040708 0.34071879366000 0.61880066387516 92.906 > 1 4 Nb 0.16512620040708 0.84071879366000 0.61880066387516 92.906 > 1 5 Nb 0.16512620040708 0.15928120634000 0.36880066387516 92.906 > 2 6 Nb 0.16512620040708 0.65928120634000 0.36880066387516 92.906 > 2 7 Nb 0.16512620040708 0.15928120634000 0.86880066387516 92.906 > 2 8 Nb 0.16512620040708 0.65928120634000 0.86880066387516 92.906 > 2 9 Nb 0.33487379959292 0.40928120634000 0.36880066387516 92.906 > 3 10 Nb 0.33487379959292 0.90928120634000 0.36880066387516 92.906 > 3 11 Nb 0.33487379959292 0.40928120634000 0.86880066387516 92.906 > 3 12 Nb 0.33487379959292 0.90928120634000 0.86880066387516 92.906 > 3 13 Nb 0.33487379959292 0.09071879366000 0.11880066387516 92.906 > 4 14 Nb 0.33487379959292 0.59071879366000 0.11880066387516 92.906 > 4 15 Nb 0.33487379959292 0.09071879366000 0.61880066387516 92.906 > 4 16 Nb 0.33487379959292 0.59071879366000 0.61880066387516 92.906 > 4 17 Nb 0.66512620040708 0.40928120634000 0.38119933612484 92.906 > 5 18 Nb 0.66512620040708 0.90928120634000 0.38119933612484 92.906 > 5 19 Nb 0.66512620040708 0.40928120634000 0.88119933612484 92.906 > 5 20 Nb 0.66512620040708 0.90928120634000 0.88119933612484 92.906 > 5 21 Nb 0.66512620040708 0.09071879366000 0.13119933612484 92.906 > 6 22 Nb 0.66512620040708 0.59071879366000 0.13119933612484 92.906 > 6 23 Nb 0.66512620040708 0.09071879366000 0.63119933612484 92.906 > 6 24 Nb 0.66512620040708 0.59071879366000 0.63119933612484 92.906 > 6 25 Nb 0.83487379959292 0.34071879366000 0.13119933612484 92.906 > 7 26 Nb 0.83487379959292 0.84071879366000 0.13119933612484 92.906 > 7 27 Nb 0.83487379959292 0.34071879366000 0.63119933612484 92.906 > 7 28 Nb 0.83487379959292 0.84071879366000 0.63119933612484 92.906 > 7 29 Nb 0.83487379959292 0.15928120634000 0.38119933612484 92.906 > 8 30 Nb 0.83487379959292 0.65928120634000 0.38119933612484 92.906 > 8 31 Nb 0.83487379959292 0.15928120634000 0.88119933612484 92.906 > 8 32 Nb 0.83487379959292 0.65928120634000 0.88119933612484 92.906 > 8 *33 Cd 0.00000000000000 0.40449763933430 0.37500000000000 112.411 > 9 34 Cd 0.00000000000000 0.90449763933430 0.37500000000000 112.411 > 9 35 Cd 0.00000000000000 0.40449763933430 0.87500000000000 112.411 > 9 36 Cd 0.00000000000000 0.90449763933430 0.87500000000000 112.411 > 9 37 Cd 0.00000000000000 0.09550236066570 0.12500000000000 112.411 > 10 38 Cd 0.00000000000000 0.59550236066570 0.12500000000000 112.411 > 10 39 Cd 0.00000000000000 0.09550236066570 0.62500000000000 112.411 > 10 40 Cd 0.00000000000000 0.59550236066570 0.62500000000000 112.411 > 10 41 Cd 0.50000000000000 0.34550236066570 0.12500000000000 112.411 > 11 42 Cd 0.50000000000000 0.84550236066570 0.12500000000000 112.411 > 11 43 Cd 0.50000000000000 0.34550236066570 0.62500000000000 112.411 > 11 44 Cd 0.50000000000000 0.84550236066570 0.62500000000000 112.411 > 11 45 Cd 0.50000000000000 0.15449763933430 0.37500000000000 112.411 > 12 46 Cd 0.50000000000000 0.65449763933430 0.37500000000000 112.411 > 12 47 Cd 0.50000000000000 0.15449763933430 0.87500000000000 112.411 > 12 48 Cd 0.50000000000000 0.65449763933430 0.87500000000000 112.411 > 12 *49 O 0.08531965106262 0.44181637107045 0.05240421542967 15.999 > 13 50 O 0.08531965106262 0.94181637107045 0.05240421542967 15.999 > 13 51 O 0.08531965106262 0.44181637107045 0.55240421542967 15.999 > 13 52 O 0.08531965106262 0.94181637107045 0.55240421542967 15.999 > 13 53 O 0.08531965106262 0.05818362892955 0.30240421542967 15.999 > 14 54 O 0.08531965106262 0.55818362892955 0.30240421542967 15.999 > 14 55 O 0.08531965106262 0.05818362892955 0.80240421542967 15.999 > 14 56 O 0.08531965106262 0.55818362892955 0.80240421542967 15.999 > 14 *57 O 0.10314919394105 0.29567194904498 0.27654050182908 15.999 > 15 58 O 0.10314919394105 0.79567194904498 0.27654050182908 15.999 > 15 59 O 0.10314919394105 0.29567194904498 0.77654050182908 15.999 > 15 60 O 0.10314919394105 0.79567194904498 0.77654050182908 15.999 > 15 61 O 0.10314919394105 0.20432805095502 0.02654050182908 15.999 > 16 62 O 0.10314919394105 0.70432805095502 0.02654050182908 15.999 > 16 63 O 0.10314919394105 0.20432805095502 0.52654050182908 15.999 > 16 64 O 0.10314919394105 0.70432805095502 0.52654050182908 15.999 > 16 *65 O 0.24432616698775 0.31479652591576 0.45550649735734 15.999 > 17 66 O 0.24432616698775 0.81479652591576 0.45550649735734 15.999 > 17 67 O 0.24432616698775 0.31479652591576 0.95550649735734 15.999 > 17 68 O 0.24432616698775 0.81479652591576 0.95550649735734 15.999 > 17 69 O 0.24432616698775 0.18520347408424 0.20550649735734 15.999 > 18 70 O 0.24432616698775 0.68520347408424 0.20550649735734 15.999 > 18 71 O 0.24432616698775 0.18520347408424 0.70550649735734 15.999 > 18 72 O 0.24432616698775 0.68520347408424 0.70550649735734 15.999 > 18 73 O 0.25567383301224 0.43520347408424 0.20550649735734 15.999 > 19 74 O 0.25567383301224 0.93520347408424 0.20550649735734 15.999 > 19 75 O 0.25567383301224 0.43520347408424 0.70550649735734 15.999 > 19 76 O 0.25567383301224 0.93520347408424 0.70550649735734 15.999 > 19 77 O 0.25567383301224 0.06479652591576 0.45550649735734 15.999 > 20 78 O 0.25567383301224 0.56479652591576 0.45550649735734 15.999 > 20 79 O 0.25567383301224 0.06479652591576 0.95550649735734 15.999 > 20 80 O 0.25567383301224 0.56479652591576 0.95550649735734 15.999 > 20 81 O 0.39685080605896 0.45432805095502 0.02654050182908 15.999 > 21 82 O 0.39685080605896 0.95432805095502 0.02654050182908 15.999 > 21 83 O 0.39685080605896 0.45432805095502 0.52654050182908 15.999 > 21 84 O 0.39685080605896 0.95432805095502 0.52654050182908 15.999 > 21 85 O 0.39685080605896 0.04567194904498 0.27654050182908 15.999 > 22 86 O 0.39685080605896 0.54567194904498 0.27654050182908 15.999 > 22 87 O 0.39685080605896 0.04567194904498 0.77654050182908 15.999 > 22 88 O 0.39685080605896 0.54567194904498 0.77654050182908 15.999 > 22 89 O 0.41468034893738 0.30818362892955 0.30240421542967 15.999 > 23 90 O 0.41468034893738 0.80818362892955 0.30240421542967 15.999 > 23 91 O 0.41468034893738 0.30818362892955 0.80240421542967 15.999 > 23 92 O 0.41468034893738 0.80818362892955 0.80240421542967 15.999 > 23 93 O 0.41468034893738 0.19181637107045 0.05240421542967 15.999 > 24 94 O 0.41468034893738 0.69181637107045 0.05240421542967 15.999 > 24 95 O 0.41468034893738 0.19181637107045 0.55240421542967 15.999 > 24 96 O 0.41468034893738 0.69181637107045 0.55240421542967 15.999 > 24 97 O 0.58531965106262 0.30818362892955 0.44759578457033 15.999 > 25 98 O 0.58531965106262 0.80818362892955 0.44759578457033 15.999 > 25 99 O 0.58531965106262 0.30818362892955 0.94759578457033 15.999 > 25 100 O 0.58531965106262 0.80818362892955 0.94759578457033 15.999 > 25 101 O 0.58531965106262 0.19181637107045 0.19759578457033 15.999 > 26 102 O 0.58531965106262 0.69181637107045 0.19759578457033 15.999 > 26 103 O 0.58531965106262 0.19181637107045 0.69759578457033 15.999 > 26 104 O 0.58531965106262 0.69181637107045 0.69759578457033 15.999 > 26 105 O 0.60314919394105 0.45432805095502 0.22345949817092 15.999 > 27 106 O 0.60314919394105 0.95432805095502 0.22345949817092 15.999 > 27 107 O 0.60314919394105 0.45432805095502 0.72345949817092 15.999 > 27 108 O 0.60314919394105 0.95432805095502 0.72345949817092 15.999 > 27 109 O 0.60314919394105 0.04567194904498 0.47345949817092 15.999 > 28 110 O 0.60314919394105 0.54567194904498 0.47345949817092 15.999 > 28 111 O 0.60314919394105 0.04567194904498 0.97345949817092 15.999 > 28 112 O 0.60314919394105 0.54567194904498 0.97345949817092 15.999 > 28 113 O 0.74432616698775 0.43520347408424 0.04449350264266 15.999 > 29 114 O 0.74432616698775 0.93520347408424 0.04449350264266 15.999 > 29 115 O 0.74432616698775 0.43520347408424 0.54449350264266 15.999 > 29 116 O 0.74432616698775 0.93520347408424 0.54449350264266 15.999 > 29 117 O 0.74432616698775 0.06479652591576 0.29449350264266 15.999 > 30 118 O 0.74432616698775 0.56479652591576 0.29449350264266 15.999 > 30 119 O 0.74432616698775 0.06479652591576 0.79449350264266 15.999 > 30 120 O 0.74432616698775 0.56479652591576 0.79449350264266 15.999 > 30 121 O 0.75567383301225 0.31479652591576 0.29449350264266 15.999 > 31 122 O 0.75567383301225 0.81479652591576 0.29449350264266 15.999 > 31 123 O 0.75567383301225 0.31479652591576 0.79449350264266 15.999 > 31 124 O 0.75567383301225 0.81479652591576 0.79449350264266 15.999 > 31 125 O 0.75567383301225 0.18520347408424 0.04449350264266 15.999 > 32 126 O 0.75567383301225 0.68520347408424 0.04449350264266 15.999 > 32 127 O 0.75567383301225 0.18520347408424 0.54449350264266 15.999 > 32 128 O 0.75567383301225 0.68520347408424 0.54449350264266 15.999 > 32 129 O 0.89685080605895 0.29567194904498 0.47345949817092 15.999 > 33 130 O 0.89685080605895 0.79567194904498 0.47345949817092 15.999 > 33 131 O 0.89685080605895 0.29567194904498 0.97345949817092 15.999 > 33 132 O 0.89685080605895 0.79567194904498 0.97345949817092 15.999 > 33 133 O 0.89685080605895 0.20432805095502 0.22345949817092 15.999 > 34 134 O 0.89685080605895 0.70432805095502 0.22345949817092 15.999 > 34 135 O 0.89685080605895 0.20432805095502 0.72345949817092 15.999 > 34 136 O 0.89685080605895 0.70432805095502 0.72345949817092 15.999 > 34 137 O 0.91468034893738 0.44181637107045 0.19759578457033 15.999 > 35 138 O 0.91468034893738 0.94181637107045 0.19759578457033 15.999 > 35 139 O 0.91468034893738 0.44181637107045 0.69759578457033 15.999 > 35 140 O 0.91468034893738 0.94181637107045 0.69759578457033 15.999 > 35 141 O 0.91468034893738 0.05818362892955 0.44759578457033 15.999 > 36 142 O 0.91468034893738 0.55818362892955 0.44759578457033 15.999 > 36 143 O 0.91468034893738 0.05818362892955 0.94759578457033 15.999 > 36 144 O 0.91468034893738 0.55818362892955 0.94759578457033 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4028287 0.0000000 0.0000000 0.0000000 5.2397336 0.0000000 0.0000000 0.0000000 5.8869739 -------------------------- Born effective charges -------------------------- 1 Nb 5.2154953 0.0932434 0.2319635 1.0176215 5.7476788 -0.5866692 0.2537054 0.6664263 7.0994844 2 Nb 5.2154953 -0.0932434 0.2319635 -1.0176215 5.7476788 0.5866692 0.2537054 -0.6664263 7.0994844 3 Nb 5.2154953 0.0932434 -0.2319635 1.0176215 5.7476788 0.5866692 -0.2537054 -0.6664263 7.0994844 4 Nb 5.2154953 -0.0932434 -0.2319635 -1.0176215 5.7476788 -0.5866692 -0.2537054 0.6664263 7.0994844 5 Nb 5.2154953 -0.0932434 -0.2319635 -1.0176215 5.7476788 -0.5866692 -0.2537054 0.6664263 7.0994844 6 Nb 5.2154953 0.0932434 -0.2319635 1.0176215 5.7476788 0.5866692 -0.2537054 -0.6664263 7.0994844 7 Nb 5.2154953 -0.0932434 0.2319635 -1.0176215 5.7476788 0.5866692 0.2537054 -0.6664263 7.0994844 8 Nb 5.2154953 0.0932434 0.2319635 1.0176215 5.7476788 -0.5866692 0.2537054 0.6664263 7.0994844 9 Cd 3.7274531 0.0000000 0.0578407 0.0000000 2.6125971 0.0000000 -0.0990660 0.0000000 2.5836115 10 Cd 3.7274531 0.0000000 0.0578407 0.0000000 2.6125971 0.0000000 -0.0990660 0.0000000 2.5836115 11 Cd 3.7274531 0.0000000 -0.0578407 0.0000000 2.6125971 0.0000000 0.0990660 0.0000000 2.5836115 12 Cd 3.7274531 0.0000000 -0.0578407 0.0000000 2.6125971 0.0000000 0.0990660 0.0000000 2.5836115 13 O -2.5637551 1.2713737 -0.8177391 1.2540606 -2.3270580 0.6158614 -0.8455966 0.4521103 -1.7249687 14 O -2.5637551 -1.2713737 -0.8177391 -1.2540606 -2.3270580 -0.6158614 -0.8455966 -0.4521103 -1.7249687 15 O -1.8752403 0.3107145 0.5950285 0.2631907 -2.4246910 1.0718291 0.7803832 1.2407070 -3.5217322 16 O -1.8752403 -0.3107145 0.5950285 -0.2631907 -2.4246910 -1.0718291 0.7803832 -1.2407070 -3.5217322 17 O -2.6402265 -1.1996446 1.3198436 -1.4580113 -2.3022283 0.3836704 1.5546394 0.2027454 -3.1445892 18 O -2.6402265 1.1996446 1.3198436 1.4580113 -2.3022283 -0.3836704 1.5546394 -0.2027454 -3.1445892 19 O -2.6402265 -1.1996446 -1.3198436 -1.4580113 -2.3022283 -0.3836704 -1.5546394 -0.2027454 -3.1445892 20 O -2.6402265 1.1996446 -1.3198436 1.4580113 -2.3022283 0.3836704 -1.5546394 0.2027454 -3.1445892 21 O -1.8752403 0.3107145 -0.5950285 0.2631907 -2.4246910 -1.0718291 -0.7803832 -1.2407070 -3.5217322 22 O -1.8752403 -0.3107145 -0.5950285 -0.2631907 -2.4246910 1.0718291 -0.7803832 1.2407070 -3.5217322 23 O -2.5637551 1.2713737 0.8177391 1.2540606 -2.3270580 -0.6158614 0.8455966 -0.4521103 -1.7249687 24 O -2.5637551 -1.2713737 0.8177391 -1.2540606 -2.3270580 0.6158614 0.8455966 0.4521103 -1.7249687 25 O -2.5637551 -1.2713737 0.8177391 -1.2540606 -2.3270580 0.6158614 0.8455966 0.4521103 -1.7249687 26 O -2.5637551 1.2713737 0.8177391 1.2540606 -2.3270580 -0.6158614 0.8455966 -0.4521103 -1.7249687 27 O -1.8752403 -0.3107145 -0.5950285 -0.2631907 -2.4246910 1.0718291 -0.7803832 1.2407070 -3.5217322 28 O -1.8752403 0.3107145 -0.5950285 0.2631907 -2.4246910 -1.0718291 -0.7803832 -1.2407070 -3.5217322 29 O -2.6402265 1.1996446 -1.3198436 1.4580113 -2.3022283 0.3836704 -1.5546394 0.2027454 -3.1445892 30 O -2.6402265 -1.1996446 -1.3198436 -1.4580113 -2.3022283 -0.3836704 -1.5546394 -0.2027454 -3.1445892 31 O -2.6402265 1.1996446 1.3198436 1.4580113 -2.3022283 -0.3836704 1.5546394 -0.2027454 -3.1445892 32 O -2.6402265 -1.1996446 1.3198436 -1.4580113 -2.3022283 0.3836704 1.5546394 0.2027454 -3.1445892 33 O -1.8752403 -0.3107145 0.5950285 -0.2631907 -2.4246910 -1.0718291 0.7803832 -1.2407070 -3.5217322 34 O -1.8752403 0.3107145 0.5950285 0.2631907 -2.4246910 1.0718291 0.7803832 1.2407070 -3.5217322 35 O -2.5637551 -1.2713737 -0.8177391 -1.2540606 -2.3270580 -0.6158614 -0.8455966 -0.4521103 -1.7249687 36 O -2.5637551 1.2713737 -0.8177391 1.2540606 -2.3270580 0.6158614 -0.8455966 0.4521103 -1.7249687 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.299 Solver_block: 200 / 560 - Time: 1.057 Solver_block: 300 / 560 - Time: 1.043 Solver_block: 400 / 560 - Time: 1.052 Solver_block: 500 / 560 - Time: 1.047 Solver_block: 560 / 560 - Time: 0.688 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.309 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2985), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:55:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:55:12]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.909229329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.145439810000000 Atomic positions (fractional): 1 Nb 0.16512620040708 0.68143758732001 0.23760132775031 92.906 2 Nb 0.16512620040708 0.31856241267999 0.73760132775031 92.906 3 Nb 0.33487379959292 0.81856241267999 0.73760132775031 92.906 4 Nb 0.33487379959292 0.18143758732001 0.23760132775031 92.906 5 Nb 0.66512620040708 0.81856241267999 0.76239867224969 92.906 6 Nb 0.66512620040708 0.18143758732001 0.26239867224969 92.906 7 Nb 0.83487379959292 0.68143758732001 0.26239867224969 92.906 8 Nb 0.83487379959292 0.31856241267999 0.76239867224969 92.906 9 Cd 0.00000000000000 0.80899527866860 0.75000000000000 112.411 10 Cd 0.00000000000000 0.19100472133140 0.25000000000000 112.411 11 Cd 0.50000000000000 0.69100472133140 0.25000000000000 112.411 12 Cd 0.50000000000000 0.30899527866860 0.75000000000000 112.411 13 O 0.08531965106262 0.88363274214090 0.10480843085935 15.999 14 O 0.08531965106262 0.11636725785910 0.60480843085935 15.999 15 O 0.10314919394105 0.59134389808997 0.55308100365816 15.999 16 O 0.10314919394105 0.40865610191003 0.05308100365816 15.999 17 O 0.24432616698775 0.62959305183152 0.91101299471468 15.999 18 O 0.24432616698775 0.37040694816848 0.41101299471468 15.999 19 O 0.25567383301224 0.87040694816848 0.41101299471468 15.999 20 O 0.25567383301224 0.12959305183152 0.91101299471468 15.999 21 O 0.39685080605896 0.90865610191003 0.05308100365816 15.999 22 O 0.39685080605896 0.09134389808997 0.55308100365816 15.999 23 O 0.41468034893738 0.61636725785910 0.60480843085935 15.999 24 O 0.41468034893738 0.38363274214090 0.10480843085935 15.999 25 O 0.58531965106262 0.61636725785910 0.89519156914065 15.999 26 O 0.58531965106262 0.38363274214090 0.39519156914065 15.999 27 O 0.60314919394105 0.90865610191003 0.44691899634184 15.999 28 O 0.60314919394105 0.09134389808997 0.94691899634184 15.999 29 O 0.74432616698775 0.87040694816848 0.08898700528532 15.999 30 O 0.74432616698775 0.12959305183152 0.58898700528532 15.999 31 O 0.75567383301225 0.62959305183152 0.58898700528532 15.999 32 O 0.75567383301225 0.37040694816848 0.08898700528532 15.999 33 O 0.89685080605895 0.59134389808997 0.94691899634184 15.999 34 O 0.89685080605895 0.40865610191003 0.44691899634184 15.999 35 O 0.91468034893738 0.88363274214090 0.39519156914065 15.999 36 O 0.91468034893738 0.11636725785910 0.89519156914065 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.818458659999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.290879620000000 Atomic positions (fractional): 1 Nb 0.16512620040708 0.34071879366000 0.11880066387516 92.906 > 1 2 Nb 0.16512620040708 0.84071879366000 0.11880066387516 92.906 > 1 3 Nb 0.16512620040708 0.34071879366000 0.61880066387516 92.906 > 1 4 Nb 0.16512620040708 0.84071879366000 0.61880066387516 92.906 > 1 5 Nb 0.16512620040708 0.15928120634000 0.36880066387516 92.906 > 5 6 Nb 0.16512620040708 0.65928120634000 0.36880066387516 92.906 > 5 7 Nb 0.16512620040708 0.15928120634000 0.86880066387516 92.906 > 5 8 Nb 0.16512620040708 0.65928120634000 0.86880066387516 92.906 > 5 9 Nb 0.33487379959292 0.40928120634000 0.36880066387516 92.906 > 9 10 Nb 0.33487379959292 0.90928120634000 0.36880066387516 92.906 > 9 11 Nb 0.33487379959292 0.40928120634000 0.86880066387516 92.906 > 9 12 Nb 0.33487379959292 0.90928120634000 0.86880066387516 92.906 > 9 13 Nb 0.33487379959292 0.09071879366000 0.11880066387516 92.906 > 13 14 Nb 0.33487379959292 0.59071879366000 0.11880066387516 92.906 > 13 15 Nb 0.33487379959292 0.09071879366000 0.61880066387516 92.906 > 13 16 Nb 0.33487379959292 0.59071879366000 0.61880066387516 92.906 > 13 17 Nb 0.66512620040708 0.40928120634000 0.38119933612484 92.906 > 17 18 Nb 0.66512620040708 0.90928120634000 0.38119933612484 92.906 > 17 19 Nb 0.66512620040708 0.40928120634000 0.88119933612484 92.906 > 17 20 Nb 0.66512620040708 0.90928120634000 0.88119933612484 92.906 > 17 21 Nb 0.66512620040708 0.09071879366000 0.13119933612484 92.906 > 21 22 Nb 0.66512620040708 0.59071879366000 0.13119933612484 92.906 > 21 23 Nb 0.66512620040708 0.09071879366000 0.63119933612484 92.906 > 21 24 Nb 0.66512620040708 0.59071879366000 0.63119933612484 92.906 > 21 25 Nb 0.83487379959292 0.34071879366000 0.13119933612484 92.906 > 25 26 Nb 0.83487379959292 0.84071879366000 0.13119933612484 92.906 > 25 27 Nb 0.83487379959292 0.34071879366000 0.63119933612484 92.906 > 25 28 Nb 0.83487379959292 0.84071879366000 0.63119933612484 92.906 > 25 29 Nb 0.83487379959292 0.15928120634000 0.38119933612484 92.906 > 29 30 Nb 0.83487379959292 0.65928120634000 0.38119933612484 92.906 > 29 31 Nb 0.83487379959292 0.15928120634000 0.88119933612484 92.906 > 29 32 Nb 0.83487379959292 0.65928120634000 0.88119933612484 92.906 > 29 33 Cd 0.00000000000000 0.40449763933430 0.37500000000000 112.411 > 33 34 Cd 0.00000000000000 0.90449763933430 0.37500000000000 112.411 > 33 35 Cd 0.00000000000000 0.40449763933430 0.87500000000000 112.411 > 33 36 Cd 0.00000000000000 0.90449763933430 0.87500000000000 112.411 > 33 37 Cd 0.00000000000000 0.09550236066570 0.12500000000000 112.411 > 37 38 Cd 0.00000000000000 0.59550236066570 0.12500000000000 112.411 > 37 39 Cd 0.00000000000000 0.09550236066570 0.62500000000000 112.411 > 37 40 Cd 0.00000000000000 0.59550236066570 0.62500000000000 112.411 > 37 41 Cd 0.50000000000000 0.34550236066570 0.12500000000000 112.411 > 41 42 Cd 0.50000000000000 0.84550236066570 0.12500000000000 112.411 > 41 43 Cd 0.50000000000000 0.34550236066570 0.62500000000000 112.411 > 41 44 Cd 0.50000000000000 0.84550236066570 0.62500000000000 112.411 > 41 45 Cd 0.50000000000000 0.15449763933430 0.37500000000000 112.411 > 45 46 Cd 0.50000000000000 0.65449763933430 0.37500000000000 112.411 > 45 47 Cd 0.50000000000000 0.15449763933430 0.87500000000000 112.411 > 45 48 Cd 0.50000000000000 0.65449763933430 0.87500000000000 112.411 > 45 49 O 0.08531965106262 0.44181637107045 0.05240421542967 15.999 > 49 50 O 0.08531965106262 0.94181637107045 0.05240421542967 15.999 > 49 51 O 0.08531965106262 0.44181637107045 0.55240421542967 15.999 > 49 52 O 0.08531965106262 0.94181637107045 0.55240421542967 15.999 > 49 53 O 0.08531965106262 0.05818362892955 0.30240421542967 15.999 > 53 54 O 0.08531965106262 0.55818362892955 0.30240421542967 15.999 > 53 55 O 0.08531965106262 0.05818362892955 0.80240421542967 15.999 > 53 56 O 0.08531965106262 0.55818362892955 0.80240421542967 15.999 > 53 57 O 0.10314919394105 0.29567194904498 0.27654050182908 15.999 > 57 58 O 0.10314919394105 0.79567194904498 0.27654050182908 15.999 > 57 59 O 0.10314919394105 0.29567194904498 0.77654050182908 15.999 > 57 60 O 0.10314919394105 0.79567194904498 0.77654050182908 15.999 > 57 61 O 0.10314919394105 0.20432805095502 0.02654050182908 15.999 > 61 62 O 0.10314919394105 0.70432805095502 0.02654050182908 15.999 > 61 63 O 0.10314919394105 0.20432805095502 0.52654050182908 15.999 > 61 64 O 0.10314919394105 0.70432805095502 0.52654050182908 15.999 > 61 65 O 0.24432616698775 0.31479652591576 0.45550649735734 15.999 > 65 66 O 0.24432616698775 0.81479652591576 0.45550649735734 15.999 > 65 67 O 0.24432616698775 0.31479652591576 0.95550649735734 15.999 > 65 68 O 0.24432616698775 0.81479652591576 0.95550649735734 15.999 > 65 69 O 0.24432616698775 0.18520347408424 0.20550649735734 15.999 > 69 70 O 0.24432616698775 0.68520347408424 0.20550649735734 15.999 > 69 71 O 0.24432616698775 0.18520347408424 0.70550649735734 15.999 > 69 72 O 0.24432616698775 0.68520347408424 0.70550649735734 15.999 > 69 73 O 0.25567383301224 0.43520347408424 0.20550649735734 15.999 > 73 74 O 0.25567383301224 0.93520347408424 0.20550649735734 15.999 > 73 75 O 0.25567383301224 0.43520347408424 0.70550649735734 15.999 > 73 76 O 0.25567383301224 0.93520347408424 0.70550649735734 15.999 > 73 77 O 0.25567383301224 0.06479652591576 0.45550649735734 15.999 > 77 78 O 0.25567383301224 0.56479652591576 0.45550649735734 15.999 > 77 79 O 0.25567383301224 0.06479652591576 0.95550649735734 15.999 > 77 80 O 0.25567383301224 0.56479652591576 0.95550649735734 15.999 > 77 81 O 0.39685080605896 0.45432805095502 0.02654050182908 15.999 > 81 82 O 0.39685080605896 0.95432805095502 0.02654050182908 15.999 > 81 83 O 0.39685080605896 0.45432805095502 0.52654050182908 15.999 > 81 84 O 0.39685080605896 0.95432805095502 0.52654050182908 15.999 > 81 85 O 0.39685080605896 0.04567194904498 0.27654050182908 15.999 > 85 86 O 0.39685080605896 0.54567194904498 0.27654050182908 15.999 > 85 87 O 0.39685080605896 0.04567194904498 0.77654050182908 15.999 > 85 88 O 0.39685080605896 0.54567194904498 0.77654050182908 15.999 > 85 89 O 0.41468034893738 0.30818362892955 0.30240421542967 15.999 > 89 90 O 0.41468034893738 0.80818362892955 0.30240421542967 15.999 > 89 91 O 0.41468034893738 0.30818362892955 0.80240421542967 15.999 > 89 92 O 0.41468034893738 0.80818362892955 0.80240421542967 15.999 > 89 93 O 0.41468034893738 0.19181637107045 0.05240421542967 15.999 > 93 94 O 0.41468034893738 0.69181637107045 0.05240421542967 15.999 > 93 95 O 0.41468034893738 0.19181637107045 0.55240421542967 15.999 > 93 96 O 0.41468034893738 0.69181637107045 0.55240421542967 15.999 > 93 97 O 0.58531965106262 0.30818362892955 0.44759578457033 15.999 > 97 98 O 0.58531965106262 0.80818362892955 0.44759578457033 15.999 > 97 99 O 0.58531965106262 0.30818362892955 0.94759578457033 15.999 > 97 100 O 0.58531965106262 0.80818362892955 0.94759578457033 15.999 > 97 101 O 0.58531965106262 0.19181637107045 0.19759578457033 15.999 > 101 102 O 0.58531965106262 0.69181637107045 0.19759578457033 15.999 > 101 103 O 0.58531965106262 0.19181637107045 0.69759578457033 15.999 > 101 104 O 0.58531965106262 0.69181637107045 0.69759578457033 15.999 > 101 105 O 0.60314919394105 0.45432805095502 0.22345949817092 15.999 > 105 106 O 0.60314919394105 0.95432805095502 0.22345949817092 15.999 > 105 107 O 0.60314919394105 0.45432805095502 0.72345949817092 15.999 > 105 108 O 0.60314919394105 0.95432805095502 0.72345949817092 15.999 > 105 109 O 0.60314919394105 0.04567194904498 0.47345949817092 15.999 > 109 110 O 0.60314919394105 0.54567194904498 0.47345949817092 15.999 > 109 111 O 0.60314919394105 0.04567194904498 0.97345949817092 15.999 > 109 112 O 0.60314919394105 0.54567194904498 0.97345949817092 15.999 > 109 113 O 0.74432616698775 0.43520347408424 0.04449350264266 15.999 > 113 114 O 0.74432616698775 0.93520347408424 0.04449350264266 15.999 > 113 115 O 0.74432616698775 0.43520347408424 0.54449350264266 15.999 > 113 116 O 0.74432616698775 0.93520347408424 0.54449350264266 15.999 > 113 117 O 0.74432616698775 0.06479652591576 0.29449350264266 15.999 > 117 118 O 0.74432616698775 0.56479652591576 0.29449350264266 15.999 > 117 119 O 0.74432616698775 0.06479652591576 0.79449350264266 15.999 > 117 120 O 0.74432616698775 0.56479652591576 0.79449350264266 15.999 > 117 121 O 0.75567383301225 0.31479652591576 0.29449350264266 15.999 > 121 122 O 0.75567383301225 0.81479652591576 0.29449350264266 15.999 > 121 123 O 0.75567383301225 0.31479652591576 0.79449350264266 15.999 > 121 124 O 0.75567383301225 0.81479652591576 0.79449350264266 15.999 > 121 125 O 0.75567383301225 0.18520347408424 0.04449350264266 15.999 > 125 126 O 0.75567383301225 0.68520347408424 0.04449350264266 15.999 > 125 127 O 0.75567383301225 0.18520347408424 0.54449350264266 15.999 > 125 128 O 0.75567383301225 0.68520347408424 0.54449350264266 15.999 > 125 129 O 0.89685080605895 0.29567194904498 0.47345949817092 15.999 > 129 130 O 0.89685080605895 0.79567194904498 0.47345949817092 15.999 > 129 131 O 0.89685080605895 0.29567194904498 0.97345949817092 15.999 > 129 132 O 0.89685080605895 0.79567194904498 0.97345949817092 15.999 > 129 133 O 0.89685080605895 0.20432805095502 0.22345949817092 15.999 > 133 134 O 0.89685080605895 0.70432805095502 0.22345949817092 15.999 > 133 135 O 0.89685080605895 0.20432805095502 0.72345949817092 15.999 > 133 136 O 0.89685080605895 0.70432805095502 0.72345949817092 15.999 > 133 137 O 0.91468034893738 0.44181637107045 0.19759578457033 15.999 > 137 138 O 0.91468034893738 0.94181637107045 0.19759578457033 15.999 > 137 139 O 0.91468034893738 0.44181637107045 0.69759578457033 15.999 > 137 140 O 0.91468034893738 0.94181637107045 0.69759578457033 15.999 > 137 141 O 0.91468034893738 0.05818362892955 0.44759578457033 15.999 > 141 142 O 0.91468034893738 0.55818362892955 0.44759578457033 15.999 > 141 143 O 0.91468034893738 0.05818362892955 0.94759578457033 15.999 > 141 144 O 0.91468034893738 0.55818362892955 0.94759578457033 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4028287 0.0000000 0.0000000 0.0000000 5.2397336 0.0000000 0.0000000 0.0000000 5.8869739 -------------------------- Born effective charges -------------------------- 1 Nb 5.2154953 0.0932434 0.2319635 1.0176215 5.7476788 -0.5866692 0.2537054 0.6664263 7.0994844 2 Nb 5.2154953 -0.0932434 0.2319635 -1.0176215 5.7476788 0.5866692 0.2537054 -0.6664263 7.0994844 3 Nb 5.2154953 0.0932434 -0.2319635 1.0176215 5.7476788 0.5866692 -0.2537054 -0.6664263 7.0994844 4 Nb 5.2154953 -0.0932434 -0.2319635 -1.0176215 5.7476788 -0.5866692 -0.2537054 0.6664263 7.0994844 5 Nb 5.2154953 -0.0932434 -0.2319635 -1.0176215 5.7476788 -0.5866692 -0.2537054 0.6664263 7.0994844 6 Nb 5.2154953 0.0932434 -0.2319635 1.0176215 5.7476788 0.5866692 -0.2537054 -0.6664263 7.0994844 7 Nb 5.2154953 -0.0932434 0.2319635 -1.0176215 5.7476788 0.5866692 0.2537054 -0.6664263 7.0994844 8 Nb 5.2154953 0.0932434 0.2319635 1.0176215 5.7476788 -0.5866692 0.2537054 0.6664263 7.0994844 9 Cd 3.7274531 0.0000000 0.0578407 0.0000000 2.6125971 0.0000000 -0.0990660 0.0000000 2.5836115 10 Cd 3.7274531 0.0000000 0.0578407 0.0000000 2.6125971 0.0000000 -0.0990660 0.0000000 2.5836115 11 Cd 3.7274531 0.0000000 -0.0578407 0.0000000 2.6125971 0.0000000 0.0990660 0.0000000 2.5836115 12 Cd 3.7274531 0.0000000 -0.0578407 0.0000000 2.6125971 0.0000000 0.0990660 0.0000000 2.5836115 13 O -2.5637551 1.2713737 -0.8177391 1.2540606 -2.3270580 0.6158614 -0.8455966 0.4521103 -1.7249687 14 O -2.5637551 -1.2713737 -0.8177391 -1.2540606 -2.3270580 -0.6158614 -0.8455966 -0.4521103 -1.7249687 15 O -1.8752403 0.3107145 0.5950285 0.2631907 -2.4246910 1.0718291 0.7803832 1.2407070 -3.5217322 16 O -1.8752403 -0.3107145 0.5950285 -0.2631907 -2.4246910 -1.0718291 0.7803832 -1.2407070 -3.5217322 17 O -2.6402265 -1.1996446 1.3198436 -1.4580113 -2.3022283 0.3836704 1.5546394 0.2027454 -3.1445892 18 O -2.6402265 1.1996446 1.3198436 1.4580113 -2.3022283 -0.3836704 1.5546394 -0.2027454 -3.1445892 19 O -2.6402265 -1.1996446 -1.3198436 -1.4580113 -2.3022283 -0.3836704 -1.5546394 -0.2027454 -3.1445892 20 O -2.6402265 1.1996446 -1.3198436 1.4580113 -2.3022283 0.3836704 -1.5546394 0.2027454 -3.1445892 21 O -1.8752403 0.3107145 -0.5950285 0.2631907 -2.4246910 -1.0718291 -0.7803832 -1.2407070 -3.5217322 22 O -1.8752403 -0.3107145 -0.5950285 -0.2631907 -2.4246910 1.0718291 -0.7803832 1.2407070 -3.5217322 23 O -2.5637551 1.2713737 0.8177391 1.2540606 -2.3270580 -0.6158614 0.8455966 -0.4521103 -1.7249687 24 O -2.5637551 -1.2713737 0.8177391 -1.2540606 -2.3270580 0.6158614 0.8455966 0.4521103 -1.7249687 25 O -2.5637551 -1.2713737 0.8177391 -1.2540606 -2.3270580 0.6158614 0.8455966 0.4521103 -1.7249687 26 O -2.5637551 1.2713737 0.8177391 1.2540606 -2.3270580 -0.6158614 0.8455966 -0.4521103 -1.7249687 27 O -1.8752403 -0.3107145 -0.5950285 -0.2631907 -2.4246910 1.0718291 -0.7803832 1.2407070 -3.5217322 28 O -1.8752403 0.3107145 -0.5950285 0.2631907 -2.4246910 -1.0718291 -0.7803832 -1.2407070 -3.5217322 29 O -2.6402265 1.1996446 -1.3198436 1.4580113 -2.3022283 0.3836704 -1.5546394 0.2027454 -3.1445892 30 O -2.6402265 -1.1996446 -1.3198436 -1.4580113 -2.3022283 -0.3836704 -1.5546394 -0.2027454 -3.1445892 31 O -2.6402265 1.1996446 1.3198436 1.4580113 -2.3022283 -0.3836704 1.5546394 -0.2027454 -3.1445892 32 O -2.6402265 -1.1996446 1.3198436 -1.4580113 -2.3022283 0.3836704 1.5546394 0.2027454 -3.1445892 33 O -1.8752403 -0.3107145 0.5950285 -0.2631907 -2.4246910 -1.0718291 0.7803832 -1.2407070 -3.5217322 34 O -1.8752403 0.3107145 0.5950285 0.2631907 -2.4246910 1.0718291 0.7803832 1.2407070 -3.5217322 35 O -2.5637551 -1.2713737 -0.8177391 -1.2540606 -2.3270580 -0.6158614 -0.8455966 -0.4521103 -1.7249687 36 O -2.5637551 1.2713737 -0.8177391 1.2540606 -2.3270580 0.6158614 -0.8455966 0.4521103 -1.7249687 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000013 (yyy) 0.00000013 (yyy) 0.00000013 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (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 2026-01-09 03:55:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:55:50]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.909229329999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.145439810000000 Atomic positions (fractional): 1 Nb 0.16512620040708 0.68143758732001 0.23760132775031 92.906 2 Nb 0.16512620040708 0.31856241267999 0.73760132775031 92.906 3 Nb 0.33487379959292 0.81856241267999 0.73760132775031 92.906 4 Nb 0.33487379959292 0.18143758732001 0.23760132775031 92.906 5 Nb 0.66512620040708 0.81856241267999 0.76239867224969 92.906 6 Nb 0.66512620040708 0.18143758732001 0.26239867224969 92.906 7 Nb 0.83487379959292 0.68143758732001 0.26239867224969 92.906 8 Nb 0.83487379959292 0.31856241267999 0.76239867224969 92.906 9 Cd 0.00000000000000 0.80899527866860 0.75000000000000 112.411 10 Cd 0.00000000000000 0.19100472133140 0.25000000000000 112.411 11 Cd 0.50000000000000 0.69100472133140 0.25000000000000 112.411 12 Cd 0.50000000000000 0.30899527866860 0.75000000000000 112.411 13 O 0.08531965106262 0.88363274214090 0.10480843085935 15.999 14 O 0.08531965106262 0.11636725785910 0.60480843085935 15.999 15 O 0.10314919394105 0.59134389808997 0.55308100365816 15.999 16 O 0.10314919394105 0.40865610191003 0.05308100365816 15.999 17 O 0.24432616698775 0.62959305183152 0.91101299471468 15.999 18 O 0.24432616698775 0.37040694816848 0.41101299471468 15.999 19 O 0.25567383301224 0.87040694816848 0.41101299471468 15.999 20 O 0.25567383301224 0.12959305183152 0.91101299471468 15.999 21 O 0.39685080605896 0.90865610191003 0.05308100365816 15.999 22 O 0.39685080605896 0.09134389808997 0.55308100365816 15.999 23 O 0.41468034893738 0.61636725785910 0.60480843085935 15.999 24 O 0.41468034893738 0.38363274214090 0.10480843085935 15.999 25 O 0.58531965106262 0.61636725785910 0.89519156914065 15.999 26 O 0.58531965106262 0.38363274214090 0.39519156914065 15.999 27 O 0.60314919394105 0.90865610191003 0.44691899634184 15.999 28 O 0.60314919394105 0.09134389808997 0.94691899634184 15.999 29 O 0.74432616698775 0.87040694816848 0.08898700528532 15.999 30 O 0.74432616698775 0.12959305183152 0.58898700528532 15.999 31 O 0.75567383301225 0.62959305183152 0.58898700528532 15.999 32 O 0.75567383301225 0.37040694816848 0.08898700528532 15.999 33 O 0.89685080605895 0.59134389808997 0.94691899634184 15.999 34 O 0.89685080605895 0.40865610191003 0.44691899634184 15.999 35 O 0.91468034893738 0.88363274214090 0.39519156914065 15.999 36 O 0.91468034893738 0.11636725785910 0.89519156914065 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.899114219999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.818458659999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.290879620000000 Atomic positions (fractional): 1 Nb 0.16512620040708 0.34071879366000 0.11880066387516 92.906 > 1 2 Nb 0.16512620040708 0.84071879366000 0.11880066387516 92.906 > 1 3 Nb 0.16512620040708 0.34071879366000 0.61880066387516 92.906 > 1 4 Nb 0.16512620040708 0.84071879366000 0.61880066387516 92.906 > 1 5 Nb 0.16512620040708 0.15928120634000 0.36880066387516 92.906 > 5 6 Nb 0.16512620040708 0.65928120634000 0.36880066387516 92.906 > 5 7 Nb 0.16512620040708 0.15928120634000 0.86880066387516 92.906 > 5 8 Nb 0.16512620040708 0.65928120634000 0.86880066387516 92.906 > 5 9 Nb 0.33487379959292 0.40928120634000 0.36880066387516 92.906 > 9 10 Nb 0.33487379959292 0.90928120634000 0.36880066387516 92.906 > 9 11 Nb 0.33487379959292 0.40928120634000 0.86880066387516 92.906 > 9 12 Nb 0.33487379959292 0.90928120634000 0.86880066387516 92.906 > 9 13 Nb 0.33487379959292 0.09071879366000 0.11880066387516 92.906 > 13 14 Nb 0.33487379959292 0.59071879366000 0.11880066387516 92.906 > 13 15 Nb 0.33487379959292 0.09071879366000 0.61880066387516 92.906 > 13 16 Nb 0.33487379959292 0.59071879366000 0.61880066387516 92.906 > 13 17 Nb 0.66512620040708 0.40928120634000 0.38119933612484 92.906 > 17 18 Nb 0.66512620040708 0.90928120634000 0.38119933612484 92.906 > 17 19 Nb 0.66512620040708 0.40928120634000 0.88119933612484 92.906 > 17 20 Nb 0.66512620040708 0.90928120634000 0.88119933612484 92.906 > 17 21 Nb 0.66512620040708 0.09071879366000 0.13119933612484 92.906 > 21 22 Nb 0.66512620040708 0.59071879366000 0.13119933612484 92.906 > 21 23 Nb 0.66512620040708 0.09071879366000 0.63119933612484 92.906 > 21 24 Nb 0.66512620040708 0.59071879366000 0.63119933612484 92.906 > 21 25 Nb 0.83487379959292 0.34071879366000 0.13119933612484 92.906 > 25 26 Nb 0.83487379959292 0.84071879366000 0.13119933612484 92.906 > 25 27 Nb 0.83487379959292 0.34071879366000 0.63119933612484 92.906 > 25 28 Nb 0.83487379959292 0.84071879366000 0.63119933612484 92.906 > 25 29 Nb 0.83487379959292 0.15928120634000 0.38119933612484 92.906 > 29 30 Nb 0.83487379959292 0.65928120634000 0.38119933612484 92.906 > 29 31 Nb 0.83487379959292 0.15928120634000 0.88119933612484 92.906 > 29 32 Nb 0.83487379959292 0.65928120634000 0.88119933612484 92.906 > 29 33 Cd 0.00000000000000 0.40449763933430 0.37500000000000 112.411 > 33 34 Cd 0.00000000000000 0.90449763933430 0.37500000000000 112.411 > 33 35 Cd 0.00000000000000 0.40449763933430 0.87500000000000 112.411 > 33 36 Cd 0.00000000000000 0.90449763933430 0.87500000000000 112.411 > 33 37 Cd 0.00000000000000 0.09550236066570 0.12500000000000 112.411 > 37 38 Cd 0.00000000000000 0.59550236066570 0.12500000000000 112.411 > 37 39 Cd 0.00000000000000 0.09550236066570 0.62500000000000 112.411 > 37 40 Cd 0.00000000000000 0.59550236066570 0.62500000000000 112.411 > 37 41 Cd 0.50000000000000 0.34550236066570 0.12500000000000 112.411 > 41 42 Cd 0.50000000000000 0.84550236066570 0.12500000000000 112.411 > 41 43 Cd 0.50000000000000 0.34550236066570 0.62500000000000 112.411 > 41 44 Cd 0.50000000000000 0.84550236066570 0.62500000000000 112.411 > 41 45 Cd 0.50000000000000 0.15449763933430 0.37500000000000 112.411 > 45 46 Cd 0.50000000000000 0.65449763933430 0.37500000000000 112.411 > 45 47 Cd 0.50000000000000 0.15449763933430 0.87500000000000 112.411 > 45 48 Cd 0.50000000000000 0.65449763933430 0.87500000000000 112.411 > 45 49 O 0.08531965106262 0.44181637107045 0.05240421542967 15.999 > 49 50 O 0.08531965106262 0.94181637107045 0.05240421542967 15.999 > 49 51 O 0.08531965106262 0.44181637107045 0.55240421542967 15.999 > 49 52 O 0.08531965106262 0.94181637107045 0.55240421542967 15.999 > 49 53 O 0.08531965106262 0.05818362892955 0.30240421542967 15.999 > 53 54 O 0.08531965106262 0.55818362892955 0.30240421542967 15.999 > 53 55 O 0.08531965106262 0.05818362892955 0.80240421542967 15.999 > 53 56 O 0.08531965106262 0.55818362892955 0.80240421542967 15.999 > 53 57 O 0.10314919394105 0.29567194904498 0.27654050182908 15.999 > 57 58 O 0.10314919394105 0.79567194904498 0.27654050182908 15.999 > 57 59 O 0.10314919394105 0.29567194904498 0.77654050182908 15.999 > 57 60 O 0.10314919394105 0.79567194904498 0.77654050182908 15.999 > 57 61 O 0.10314919394105 0.20432805095502 0.02654050182908 15.999 > 61 62 O 0.10314919394105 0.70432805095502 0.02654050182908 15.999 > 61 63 O 0.10314919394105 0.20432805095502 0.52654050182908 15.999 > 61 64 O 0.10314919394105 0.70432805095502 0.52654050182908 15.999 > 61 65 O 0.24432616698775 0.31479652591576 0.45550649735734 15.999 > 65 66 O 0.24432616698775 0.81479652591576 0.45550649735734 15.999 > 65 67 O 0.24432616698775 0.31479652591576 0.95550649735734 15.999 > 65 68 O 0.24432616698775 0.81479652591576 0.95550649735734 15.999 > 65 69 O 0.24432616698775 0.18520347408424 0.20550649735734 15.999 > 69 70 O 0.24432616698775 0.68520347408424 0.20550649735734 15.999 > 69 71 O 0.24432616698775 0.18520347408424 0.70550649735734 15.999 > 69 72 O 0.24432616698775 0.68520347408424 0.70550649735734 15.999 > 69 73 O 0.25567383301224 0.43520347408424 0.20550649735734 15.999 > 73 74 O 0.25567383301224 0.93520347408424 0.20550649735734 15.999 > 73 75 O 0.25567383301224 0.43520347408424 0.70550649735734 15.999 > 73 76 O 0.25567383301224 0.93520347408424 0.70550649735734 15.999 > 73 77 O 0.25567383301224 0.06479652591576 0.45550649735734 15.999 > 77 78 O 0.25567383301224 0.56479652591576 0.45550649735734 15.999 > 77 79 O 0.25567383301224 0.06479652591576 0.95550649735734 15.999 > 77 80 O 0.25567383301224 0.56479652591576 0.95550649735734 15.999 > 77 81 O 0.39685080605896 0.45432805095502 0.02654050182908 15.999 > 81 82 O 0.39685080605896 0.95432805095502 0.02654050182908 15.999 > 81 83 O 0.39685080605896 0.45432805095502 0.52654050182908 15.999 > 81 84 O 0.39685080605896 0.95432805095502 0.52654050182908 15.999 > 81 85 O 0.39685080605896 0.04567194904498 0.27654050182908 15.999 > 85 86 O 0.39685080605896 0.54567194904498 0.27654050182908 15.999 > 85 87 O 0.39685080605896 0.04567194904498 0.77654050182908 15.999 > 85 88 O 0.39685080605896 0.54567194904498 0.77654050182908 15.999 > 85 89 O 0.41468034893738 0.30818362892955 0.30240421542967 15.999 > 89 90 O 0.41468034893738 0.80818362892955 0.30240421542967 15.999 > 89 91 O 0.41468034893738 0.30818362892955 0.80240421542967 15.999 > 89 92 O 0.41468034893738 0.80818362892955 0.80240421542967 15.999 > 89 93 O 0.41468034893738 0.19181637107045 0.05240421542967 15.999 > 93 94 O 0.41468034893738 0.69181637107045 0.05240421542967 15.999 > 93 95 O 0.41468034893738 0.19181637107045 0.55240421542967 15.999 > 93 96 O 0.41468034893738 0.69181637107045 0.55240421542967 15.999 > 93 97 O 0.58531965106262 0.30818362892955 0.44759578457033 15.999 > 97 98 O 0.58531965106262 0.80818362892955 0.44759578457033 15.999 > 97 99 O 0.58531965106262 0.30818362892955 0.94759578457033 15.999 > 97 100 O 0.58531965106262 0.80818362892955 0.94759578457033 15.999 > 97 101 O 0.58531965106262 0.19181637107045 0.19759578457033 15.999 > 101 102 O 0.58531965106262 0.69181637107045 0.19759578457033 15.999 > 101 103 O 0.58531965106262 0.19181637107045 0.69759578457033 15.999 > 101 104 O 0.58531965106262 0.69181637107045 0.69759578457033 15.999 > 101 105 O 0.60314919394105 0.45432805095502 0.22345949817092 15.999 > 105 106 O 0.60314919394105 0.95432805095502 0.22345949817092 15.999 > 105 107 O 0.60314919394105 0.45432805095502 0.72345949817092 15.999 > 105 108 O 0.60314919394105 0.95432805095502 0.72345949817092 15.999 > 105 109 O 0.60314919394105 0.04567194904498 0.47345949817092 15.999 > 109 110 O 0.60314919394105 0.54567194904498 0.47345949817092 15.999 > 109 111 O 0.60314919394105 0.04567194904498 0.97345949817092 15.999 > 109 112 O 0.60314919394105 0.54567194904498 0.97345949817092 15.999 > 109 113 O 0.74432616698775 0.43520347408424 0.04449350264266 15.999 > 113 114 O 0.74432616698775 0.93520347408424 0.04449350264266 15.999 > 113 115 O 0.74432616698775 0.43520347408424 0.54449350264266 15.999 > 113 116 O 0.74432616698775 0.93520347408424 0.54449350264266 15.999 > 113 117 O 0.74432616698775 0.06479652591576 0.29449350264266 15.999 > 117 118 O 0.74432616698775 0.56479652591576 0.29449350264266 15.999 > 117 119 O 0.74432616698775 0.06479652591576 0.79449350264266 15.999 > 117 120 O 0.74432616698775 0.56479652591576 0.79449350264266 15.999 > 117 121 O 0.75567383301225 0.31479652591576 0.29449350264266 15.999 > 121 122 O 0.75567383301225 0.81479652591576 0.29449350264266 15.999 > 121 123 O 0.75567383301225 0.31479652591576 0.79449350264266 15.999 > 121 124 O 0.75567383301225 0.81479652591576 0.79449350264266 15.999 > 121 125 O 0.75567383301225 0.18520347408424 0.04449350264266 15.999 > 125 126 O 0.75567383301225 0.68520347408424 0.04449350264266 15.999 > 125 127 O 0.75567383301225 0.18520347408424 0.54449350264266 15.999 > 125 128 O 0.75567383301225 0.68520347408424 0.54449350264266 15.999 > 125 129 O 0.89685080605895 0.29567194904498 0.47345949817092 15.999 > 129 130 O 0.89685080605895 0.79567194904498 0.47345949817092 15.999 > 129 131 O 0.89685080605895 0.29567194904498 0.97345949817092 15.999 > 129 132 O 0.89685080605895 0.79567194904498 0.97345949817092 15.999 > 129 133 O 0.89685080605895 0.20432805095502 0.22345949817092 15.999 > 133 134 O 0.89685080605895 0.70432805095502 0.22345949817092 15.999 > 133 135 O 0.89685080605895 0.20432805095502 0.72345949817092 15.999 > 133 136 O 0.89685080605895 0.70432805095502 0.72345949817092 15.999 > 133 137 O 0.91468034893738 0.44181637107045 0.19759578457033 15.999 > 137 138 O 0.91468034893738 0.94181637107045 0.19759578457033 15.999 > 137 139 O 0.91468034893738 0.44181637107045 0.69759578457033 15.999 > 137 140 O 0.91468034893738 0.94181637107045 0.69759578457033 15.999 > 137 141 O 0.91468034893738 0.05818362892955 0.44759578457033 15.999 > 141 142 O 0.91468034893738 0.55818362892955 0.44759578457033 15.999 > 141 143 O 0.91468034893738 0.05818362892955 0.94759578457033 15.999 > 141 144 O 0.91468034893738 0.55818362892955 0.94759578457033 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4028287 0.0000000 0.0000000 0.0000000 5.2397336 0.0000000 0.0000000 0.0000000 5.8869739 -------------------------- Born effective charges -------------------------- 1 Nb 5.2154953 0.0932434 0.2319635 1.0176215 5.7476788 -0.5866692 0.2537054 0.6664263 7.0994844 2 Nb 5.2154953 -0.0932434 0.2319635 -1.0176215 5.7476788 0.5866692 0.2537054 -0.6664263 7.0994844 3 Nb 5.2154953 0.0932434 -0.2319635 1.0176215 5.7476788 0.5866692 -0.2537054 -0.6664263 7.0994844 4 Nb 5.2154953 -0.0932434 -0.2319635 -1.0176215 5.7476788 -0.5866692 -0.2537054 0.6664263 7.0994844 5 Nb 5.2154953 -0.0932434 -0.2319635 -1.0176215 5.7476788 -0.5866692 -0.2537054 0.6664263 7.0994844 6 Nb 5.2154953 0.0932434 -0.2319635 1.0176215 5.7476788 0.5866692 -0.2537054 -0.6664263 7.0994844 7 Nb 5.2154953 -0.0932434 0.2319635 -1.0176215 5.7476788 0.5866692 0.2537054 -0.6664263 7.0994844 8 Nb 5.2154953 0.0932434 0.2319635 1.0176215 5.7476788 -0.5866692 0.2537054 0.6664263 7.0994844 9 Cd 3.7274531 0.0000000 0.0578407 0.0000000 2.6125971 0.0000000 -0.0990660 0.0000000 2.5836115 10 Cd 3.7274531 0.0000000 0.0578407 0.0000000 2.6125971 0.0000000 -0.0990660 0.0000000 2.5836115 11 Cd 3.7274531 0.0000000 -0.0578407 0.0000000 2.6125971 0.0000000 0.0990660 0.0000000 2.5836115 12 Cd 3.7274531 0.0000000 -0.0578407 0.0000000 2.6125971 0.0000000 0.0990660 0.0000000 2.5836115 13 O -2.5637551 1.2713737 -0.8177391 1.2540606 -2.3270580 0.6158614 -0.8455966 0.4521103 -1.7249687 14 O -2.5637551 -1.2713737 -0.8177391 -1.2540606 -2.3270580 -0.6158614 -0.8455966 -0.4521103 -1.7249687 15 O -1.8752403 0.3107145 0.5950285 0.2631907 -2.4246910 1.0718291 0.7803832 1.2407070 -3.5217322 16 O -1.8752403 -0.3107145 0.5950285 -0.2631907 -2.4246910 -1.0718291 0.7803832 -1.2407070 -3.5217322 17 O -2.6402265 -1.1996446 1.3198436 -1.4580113 -2.3022283 0.3836704 1.5546394 0.2027454 -3.1445892 18 O -2.6402265 1.1996446 1.3198436 1.4580113 -2.3022283 -0.3836704 1.5546394 -0.2027454 -3.1445892 19 O -2.6402265 -1.1996446 -1.3198436 -1.4580113 -2.3022283 -0.3836704 -1.5546394 -0.2027454 -3.1445892 20 O -2.6402265 1.1996446 -1.3198436 1.4580113 -2.3022283 0.3836704 -1.5546394 0.2027454 -3.1445892 21 O -1.8752403 0.3107145 -0.5950285 0.2631907 -2.4246910 -1.0718291 -0.7803832 -1.2407070 -3.5217322 22 O -1.8752403 -0.3107145 -0.5950285 -0.2631907 -2.4246910 1.0718291 -0.7803832 1.2407070 -3.5217322 23 O -2.5637551 1.2713737 0.8177391 1.2540606 -2.3270580 -0.6158614 0.8455966 -0.4521103 -1.7249687 24 O -2.5637551 -1.2713737 0.8177391 -1.2540606 -2.3270580 0.6158614 0.8455966 0.4521103 -1.7249687 25 O -2.5637551 -1.2713737 0.8177391 -1.2540606 -2.3270580 0.6158614 0.8455966 0.4521103 -1.7249687 26 O -2.5637551 1.2713737 0.8177391 1.2540606 -2.3270580 -0.6158614 0.8455966 -0.4521103 -1.7249687 27 O -1.8752403 -0.3107145 -0.5950285 -0.2631907 -2.4246910 1.0718291 -0.7803832 1.2407070 -3.5217322 28 O -1.8752403 0.3107145 -0.5950285 0.2631907 -2.4246910 -1.0718291 -0.7803832 -1.2407070 -3.5217322 29 O -2.6402265 1.1996446 -1.3198436 1.4580113 -2.3022283 0.3836704 -1.5546394 0.2027454 -3.1445892 30 O -2.6402265 -1.1996446 -1.3198436 -1.4580113 -2.3022283 -0.3836704 -1.5546394 -0.2027454 -3.1445892 31 O -2.6402265 1.1996446 1.3198436 1.4580113 -2.3022283 -0.3836704 1.5546394 -0.2027454 -3.1445892 32 O -2.6402265 -1.1996446 1.3198436 -1.4580113 -2.3022283 0.3836704 1.5546394 0.2027454 -3.1445892 33 O -1.8752403 -0.3107145 0.5950285 -0.2631907 -2.4246910 -1.0718291 0.7803832 -1.2407070 -3.5217322 34 O -1.8752403 0.3107145 0.5950285 0.2631907 -2.4246910 1.0718291 0.7803832 1.2407070 -3.5217322 35 O -2.5637551 -1.2713737 -0.8177391 -1.2540606 -2.3270580 -0.6158614 -0.8455966 -0.4521103 -1.7249687 36 O -2.5637551 1.2713737 -0.8177391 1.2540606 -2.3270580 0.6158614 -0.8455966 0.4521103 -1.7249687 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000013 (yyy) 0.00000013 (yyy) 0.00000013 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 3 8 10 ] 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: 0.54, Number of G-points: 303, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 1.821 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.158 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.304 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 0.000) 0.000 12.499 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 0.000) 0.000 13.320 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.581 ( 0.000 0.000 0.000) 0.000 14.646 ( 0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.485 ( 0.000 0.000 0.000) 0.000 15.540 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 17.024 ( 0.000 0.000 0.000) 0.000 17.099 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 18.209 ( 0.000 0.000 0.000) 0.000 18.409 ( 0.000 0.000 0.000) 0.000 18.467 ( 0.000 0.000 0.000) 0.000 19.047 ( 0.000 0.000 0.000) 0.000 19.924 ( 0.000 0.000 0.000) 0.000 20.222 ( 0.000 0.000 0.000) 0.000 20.729 ( 0.000 0.000 0.000) 0.000 20.914 ( 0.000 0.000 0.000) 0.000 21.174 ( 0.000 0.000 0.000) 0.000 23.804 ( 0.000 0.000 0.000) 0.000 24.086 ( 0.000 0.000 0.000) 0.000 24.137 ( 0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.449 ( 0.000 0.000 0.000) 0.000 24.717 ( 0.000 0.000 0.000) 0.000 25.549 ( 0.000 0.000 0.000) 0.000 26.085 ( 0.000 0.000 0.000) 0.000 26.152 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 28.918 0.000 0.000) 28.918 0.766 ( 33.467 0.000 0.000) 33.467 1.288 ( -28.103 0.000 0.000) 28.103 1.326 ( 56.633 0.000 0.000) 56.633 1.474 ( -27.134 0.000 0.000) 27.134 2.478 ( 22.974 0.000 0.000) 22.974 2.548 ( -47.029 0.000 0.000) 47.029 2.680 ( 10.395 0.000 0.000) 10.395 2.868 ( -9.658 0.000 0.000) 9.658 2.948 ( -18.621 0.000 0.000) 18.621 3.186 ( 3.056 0.000 0.000) 3.056 3.228 ( 7.451 0.000 0.000) 7.451 3.263 ( -3.138 0.000 0.000) 3.138 3.377 ( -4.393 0.000 0.000) 4.393 3.570 ( 5.484 0.000 0.000) 5.484 3.691 ( -4.672 0.000 0.000) 4.672 3.890 ( 11.038 0.000 0.000) 11.038 4.139 ( -10.522 0.000 0.000) 10.522 4.274 ( 2.880 0.000 0.000) 2.880 4.358 ( -0.296 0.000 0.000) 0.296 4.462 ( 2.627 0.000 0.000) 2.627 4.489 ( -0.135 0.000 0.000) 0.135 4.817 ( 20.343 0.000 0.000) 20.343 5.158 ( 15.228 0.000 0.000) 15.228 5.238 ( -13.110 0.000 0.000) 13.110 5.297 ( 3.672 0.000 0.000) 3.672 5.352 ( 1.086 0.000 0.000) 1.086 5.454 ( -0.852 0.000 0.000) 0.852 5.455 ( -2.715 0.000 0.000) 2.715 5.519 ( -15.489 0.000 0.000) 15.489 6.005 ( 8.259 0.000 0.000) 8.259 6.044 ( 6.184 0.000 0.000) 6.184 6.157 ( -5.239 0.000 0.000) 5.239 6.228 ( -8.893 0.000 0.000) 8.893 6.581 ( 3.044 0.000 0.000) 3.044 6.603 ( 4.217 0.000 0.000) 4.217 6.681 ( -2.684 0.000 0.000) 2.684 6.691 ( -6.733 0.000 0.000) 6.733 6.877 ( 2.561 0.000 0.000) 2.561 6.896 ( 0.983 0.000 0.000) 0.983 6.954 ( 0.456 0.000 0.000) 0.456 6.967 ( -1.249 0.000 0.000) 1.249 7.246 ( 0.933 0.000 0.000) 0.933 7.253 ( 8.287 0.000 0.000) 8.287 7.303 ( -4.782 0.000 0.000) 4.782 7.429 ( -4.214 0.000 0.000) 4.214 7.462 ( -2.002 0.000 0.000) 2.002 7.468 ( 5.687 0.000 0.000) 5.687 7.474 ( -1.573 0.000 0.000) 1.573 7.548 ( -2.338 0.000 0.000) 2.338 7.869 ( -2.056 0.000 0.000) 2.056 7.875 ( -2.200 0.000 0.000) 2.200 7.988 ( 9.573 0.000 0.000) 9.573 8.167 ( -3.387 0.000 0.000) 3.387 8.264 ( 3.754 0.000 0.000) 3.754 8.409 ( -6.188 0.000 0.000) 6.188 9.002 ( 1.782 0.000 0.000) 1.782 9.038 ( -1.165 0.000 0.000) 1.165 9.039 ( 1.103 0.000 0.000) 1.103 9.053 ( 0.066 0.000 0.000) 0.066 9.736 ( 1.085 0.000 0.000) 1.085 9.762 ( -0.955 0.000 0.000) 0.955 10.328 ( 3.480 0.000 0.000) 3.480 10.420 ( -3.964 0.000 0.000) 3.964 10.621 ( 6.827 0.000 0.000) 6.827 10.810 ( -9.073 0.000 0.000) 9.073 11.154 ( 3.886 0.000 0.000) 3.886 11.213 ( -1.470 0.000 0.000) 1.470 11.491 ( 3.621 0.000 0.000) 3.621 11.575 ( -3.208 0.000 0.000) 3.208 12.170 ( 0.258 0.000 0.000) 0.258 12.184 ( -0.976 0.000 0.000) 0.976 12.458 ( 1.540 0.000 0.000) 1.540 12.488 ( -0.962 0.000 0.000) 0.962 12.976 ( 7.079 0.000 0.000) 7.079 13.075 ( 0.636 0.000 0.000) 0.636 13.091 ( -0.633 0.000 0.000) 0.633 13.181 ( -9.887 0.000 0.000) 9.887 14.502 ( 1.328 0.000 0.000) 1.328 14.544 ( -2.200 0.000 0.000) 2.200 14.673 ( 1.808 0.000 0.000) 1.808 14.702 ( -0.783 0.000 0.000) 0.783 14.888 ( 18.466 0.000 0.000) 18.466 15.323 ( -17.375 0.000 0.000) 17.375 15.379 ( 2.541 0.000 0.000) 2.541 15.447 ( -2.966 0.000 0.000) 2.966 17.040 ( 1.280 0.000 0.000) 1.280 17.075 ( -1.677 0.000 0.000) 1.677 17.831 ( 9.162 0.000 0.000) 9.162 17.915 ( 9.773 0.000 0.000) 9.773 18.101 ( -14.232 0.000 0.000) 14.232 18.123 ( -7.363 0.000 0.000) 7.363 18.751 ( 12.223 0.000 0.000) 12.223 18.968 ( -6.876 0.000 0.000) 6.876 19.983 ( 5.103 0.000 0.000) 5.103 20.128 ( -6.845 0.000 0.000) 6.845 20.997 ( 5.950 0.000 0.000) 5.950 21.122 ( -4.447 0.000 0.000) 4.447 23.852 ( 4.137 0.000 0.000) 4.137 23.978 ( -6.794 0.000 0.000) 6.794 24.070 ( 0.434 0.000 0.000) 0.434 24.081 ( -0.438 0.000 0.000) 0.438 24.297 ( 6.223 0.000 0.000) 6.223 24.408 ( -3.520 0.000 0.000) 3.520 25.568 ( 1.524 0.000 0.000) 1.524 25.607 ( -1.708 0.000 0.000) 1.708 26.104 ( 1.446 0.000 0.000) 1.446 26.137 ( -1.257 0.000 0.000) 1.257 ======================= Grid point 3 (3/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.543 ( 0.000 26.522 0.000) 26.522 0.688 ( 0.000 31.592 0.000) 31.592 1.067 ( 0.000 48.785 0.000) 48.785 1.732 ( 0.000 -6.636 0.000) 6.636 1.955 ( 0.000 -3.520 0.000) 3.520 1.998 ( 0.000 10.086 0.000) 10.086 2.468 ( 0.000 -0.063 0.000) 0.063 2.896 ( 0.000 2.471 0.000) 2.471 3.117 ( 0.000 -2.602 0.000) 2.602 3.142 ( 0.000 -7.576 0.000) 7.576 3.241 ( 0.000 -4.552 0.000) 4.552 3.251 ( 0.000 9.937 0.000) 9.937 3.256 ( 0.000 -9.138 0.000) 9.138 3.396 ( 0.000 -5.472 0.000) 5.472 3.585 ( 0.000 9.943 0.000) 9.943 3.620 ( 0.000 -7.353 0.000) 7.353 3.744 ( 0.000 -3.803 0.000) 3.803 4.114 ( 0.000 6.277 0.000) 6.277 4.170 ( 0.000 15.287 0.000) 15.287 4.204 ( 0.000 -9.562 0.000) 9.562 4.455 ( 0.000 10.458 0.000) 10.458 4.498 ( 0.000 -3.977 0.000) 3.977 4.920 ( 0.000 0.661 0.000) 0.661 4.980 ( 0.000 1.204 0.000) 1.204 4.981 ( 0.000 17.181 0.000) 17.181 5.284 ( 0.000 3.072 0.000) 3.072 5.393 ( 0.000 6.647 0.000) 6.647 5.452 ( 0.000 4.773 0.000) 4.773 5.586 ( 0.000 7.492 0.000) 7.492 5.812 ( 0.000 5.932 0.000) 5.932 5.851 ( 0.000 0.687 0.000) 0.687 5.985 ( 0.000 5.716 0.000) 5.716 6.192 ( 0.000 -2.946 0.000) 2.946 6.275 ( 0.000 -16.520 0.000) 16.520 6.362 ( 0.000 -10.759 0.000) 10.759 6.385 ( 0.000 2.237 0.000) 2.237 6.528 ( 0.000 -4.690 0.000) 4.690 6.755 ( 0.000 3.018 0.000) 3.018 6.856 ( 0.000 -9.404 0.000) 9.404 6.871 ( 0.000 -2.001 0.000) 2.001 6.968 ( 0.000 -6.624 0.000) 6.624 7.009 ( 0.000 -11.956 0.000) 11.956 7.087 ( 0.000 7.822 0.000) 7.822 7.178 ( 0.000 -1.734 0.000) 1.734 7.426 ( 0.000 2.071 0.000) 2.071 7.499 ( 0.000 6.649 0.000) 6.649 7.561 ( 0.000 2.147 0.000) 2.147 7.574 ( 0.000 2.120 0.000) 2.120 7.705 ( 0.000 9.195 0.000) 9.195 7.920 ( 0.000 1.463 0.000) 1.463 8.008 ( 0.000 8.407 0.000) 8.407 8.109 ( 0.000 16.297 0.000) 16.297 8.116 ( 0.000 -0.086 0.000) 0.086 8.202 ( 0.000 -18.261 0.000) 18.261 8.329 ( 0.000 4.308 0.000) 4.308 8.598 ( 0.000 -14.828 0.000) 14.828 8.634 ( 0.000 2.647 0.000) 2.647 9.025 ( 0.000 -1.592 0.000) 1.592 9.220 ( 0.000 14.727 0.000) 14.727 9.358 ( 0.000 16.596 0.000) 16.596 9.914 ( 0.000 12.738 0.000) 12.738 10.039 ( 0.000 5.905 0.000) 5.905 10.274 ( 0.000 -2.794 0.000) 2.794 10.288 ( 0.000 0.313 0.000) 0.313 10.507 ( 0.000 -2.995 0.000) 2.995 10.947 ( 0.000 -1.275 0.000) 1.275 10.960 ( 0.000 -8.208 0.000) 8.208 11.190 ( 0.000 -3.612 0.000) 3.612 11.537 ( 0.000 6.422 0.000) 6.422 11.589 ( 0.000 -1.972 0.000) 1.972 12.114 ( 0.000 -5.167 0.000) 5.167 12.167 ( 0.000 -3.189 0.000) 3.189 12.431 ( 0.000 -1.632 0.000) 1.632 12.569 ( 0.000 -3.522 0.000) 3.522 12.892 ( 0.000 -6.153 0.000) 6.153 13.015 ( 0.000 -7.185 0.000) 7.185 13.056 ( 0.000 14.406 0.000) 14.406 14.216 ( 0.000 -6.561 0.000) 6.561 14.511 ( 0.000 2.093 0.000) 2.093 14.595 ( 0.000 1.147 0.000) 1.147 14.707 ( 0.000 5.033 0.000) 5.033 14.781 ( 0.000 6.565 0.000) 6.565 15.375 ( 0.000 2.067 0.000) 2.067 15.519 ( 0.000 3.286 0.000) 3.286 15.532 ( 0.000 -0.798 0.000) 0.798 16.270 ( 0.000 -5.392 0.000) 5.392 16.612 ( 0.000 -15.562 0.000) 15.562 17.023 ( 0.000 -7.309 0.000) 7.309 17.275 ( 0.000 14.898 0.000) 14.898 17.867 ( 0.000 8.134 0.000) 8.134 18.459 ( 0.000 4.742 0.000) 4.742 18.478 ( 0.000 0.841 0.000) 0.841 18.777 ( 0.000 -4.650 0.000) 4.650 19.125 ( 0.000 5.031 0.000) 5.031 19.788 ( 0.000 -11.768 0.000) 11.768 20.064 ( 0.000 -12.849 0.000) 12.849 20.834 ( 0.000 7.846 0.000) 7.846 21.174 ( 0.000 -0.025 0.000) 0.025 22.020 ( 0.000 -1.128 0.000) 1.128 23.350 ( 0.000 -26.213 0.000) 26.213 24.051 ( 0.000 -5.775 0.000) 5.775 24.427 ( 0.000 -2.202 0.000) 2.202 24.443 ( 0.000 17.846 0.000) 17.846 24.859 ( 0.000 10.810 0.000) 10.810 25.467 ( 0.000 -6.708 0.000) 6.708 25.485 ( 0.000 -4.016 0.000) 4.016 26.066 ( 0.000 -1.721 0.000) 1.721 26.112 ( 0.000 -3.486 0.000) 3.486 ======================= Grid point 4 (4/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.599 ( 20.737 9.166 0.000) 22.673 1.021 ( 23.989 20.456 0.000) 31.527 1.203 ( -28.395 -3.664 0.000) 28.630 1.595 ( -21.721 11.877 0.000) 24.756 1.768 ( 39.152 29.772 0.000) 49.186 2.409 ( 22.211 -6.101 0.000) 23.034 2.660 ( -28.782 6.365 0.000) 29.477 2.701 ( 11.034 2.395 0.000) 11.291 2.871 ( -16.544 -6.547 0.000) 17.792 2.996 ( -19.274 13.246 0.000) 23.386 3.156 ( 2.122 -2.409 0.000) 3.210 3.219 ( -2.420 -1.825 0.000) 3.031 3.313 ( 3.200 5.231 0.000) 6.132 3.329 ( 1.183 -2.684 0.000) 2.933 3.453 ( 4.494 -8.604 0.000) 9.707 3.625 ( -9.460 -5.989 0.000) 11.196 3.874 ( 13.580 -4.843 0.000) 14.417 4.094 ( -5.408 -3.147 0.000) 6.257 4.309 ( 8.892 9.407 0.000) 12.945 4.432 ( 3.307 -3.588 0.000) 4.879 4.487 ( -0.977 -3.450 0.000) 3.586 4.497 ( -2.400 10.490 0.000) 10.761 4.871 ( 11.756 2.965 0.000) 12.124 5.081 ( 0.622 -7.497 0.000) 7.523 5.195 ( 9.524 6.223 0.000) 11.377 5.335 ( 2.222 3.899 0.000) 4.488 5.372 ( -3.555 4.997 0.000) 6.133 5.425 ( 0.027 5.998 0.000) 5.998 5.567 ( 1.227 9.275 0.000) 9.356 5.710 ( -8.719 8.843 0.000) 12.419 5.914 ( 4.978 -1.007 0.000) 5.078 6.021 ( 6.361 0.054 0.000) 6.362 6.075 ( -8.106 -4.525 0.000) 9.283 6.209 ( -8.953 -2.714 0.000) 9.355 6.393 ( 7.044 -15.577 0.000) 17.095 6.457 ( 2.305 -8.988 0.000) 9.279 6.617 ( 5.043 -0.265 0.000) 5.050 6.724 ( -3.336 1.784 0.000) 3.783 6.814 ( -1.941 -9.995 0.000) 10.182 6.860 ( -6.017 -8.116 0.000) 10.103 6.920 ( 2.619 1.045 0.000) 2.819 6.969 ( -2.461 6.023 0.000) 6.507 7.113 ( -1.945 -3.303 0.000) 3.832 7.123 ( -0.297 -6.678 0.000) 6.685 7.455 ( -0.319 6.989 0.000) 6.996 7.486 ( -0.000 4.282 0.000) 4.282 7.531 ( 0.505 3.807 0.000) 3.840 7.559 ( -0.746 3.355 0.000) 3.437 7.779 ( 4.334 5.503 0.000) 7.004 7.878 ( -3.644 2.420 0.000) 4.374 8.023 ( 1.320 16.817 0.000) 16.869 8.121 ( 3.922 2.850 0.000) 4.848 8.147 ( -6.638 7.468 0.000) 9.992 8.211 ( -4.178 10.343 0.000) 11.155 8.241 ( 0.876 -5.667 0.000) 5.734 8.263 ( -6.313 6.337 0.000) 8.945 8.752 ( 3.819 -8.701 0.000) 9.502 8.877 ( -7.786 -3.444 0.000) 8.514 9.333 ( 4.989 14.387 0.000) 15.227 9.383 ( 0.294 15.290 0.000) 15.293 9.905 ( -0.333 12.738 0.000) 12.742 9.930 ( -3.473 13.379 0.000) 13.822 10.299 ( 1.112 -2.294 0.000) 2.549 10.321 ( 0.208 -6.174 0.000) 6.177 10.597 ( 7.181 -2.140 0.000) 7.493 10.784 ( -8.666 -2.460 0.000) 9.009 11.074 ( 4.721 -5.990 0.000) 7.627 11.159 ( -2.708 -4.749 0.000) 5.467 11.549 ( 0.973 4.163 0.000) 4.275 11.574 ( -1.110 -0.010 0.000) 1.110 12.127 ( 0.980 -4.160 0.000) 4.274 12.152 ( -1.105 -3.145 0.000) 3.333 12.462 ( 2.356 -1.487 0.000) 2.786 12.523 ( -2.908 -1.594 0.000) 3.316 12.928 ( 2.241 -7.308 0.000) 7.644 12.974 ( -1.887 -6.138 0.000) 6.422 13.240 ( 15.476 17.832 0.000) 23.611 13.829 ( -37.234 26.784 0.000) 45.866 14.510 ( 0.156 -2.533 0.000) 2.538 14.518 ( 0.374 1.191 0.000) 1.249 14.650 ( 2.206 2.666 0.000) 3.460 14.742 ( -3.598 3.752 0.000) 5.198 15.207 ( -5.206 18.579 0.000) 19.294 15.317 ( -7.331 0.997 0.000) 7.398 15.486 ( 0.217 7.671 0.000) 7.674 15.550 ( -4.735 11.133 0.000) 12.098 16.912 ( 4.125 -12.597 0.000) 13.255 16.988 ( -2.785 -8.465 0.000) 8.911 17.700 ( 17.354 -2.168 0.000) 17.489 17.943 ( 0.745 3.517 0.000) 3.595 18.181 ( -5.659 6.924 0.000) 8.942 18.369 ( -16.647 12.904 0.000) 21.063 18.774 ( 11.984 2.097 0.000) 12.166 18.990 ( -7.244 2.315 0.000) 7.605 19.845 ( 4.900 -11.794 0.000) 12.771 19.981 ( -6.210 -12.244 0.000) 13.729 20.985 ( 6.852 -0.020 0.000) 6.853 21.119 ( -4.634 -0.138 0.000) 4.636 22.961 ( 31.651 -41.252 0.000) 51.996 23.300 ( -5.517 -29.934 0.000) 30.439 24.171 ( 9.086 -6.041 0.000) 10.911 24.356 ( -6.115 -3.106 0.000) 6.858 24.502 ( 5.157 17.984 0.000) 18.709 24.680 ( -10.421 18.035 0.000) 20.829 25.483 ( 1.207 -6.637 0.000) 6.746 25.504 ( -0.085 -6.376 0.000) 6.376 26.078 ( 1.006 -2.133 0.000) 2.358 26.102 ( -0.876 -3.034 0.000) 3.157 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 27.913 0.000) 27.913 1.311 ( 0.000 26.413 0.000) 26.413 1.673 ( 0.000 4.144 0.000) 4.144 1.910 ( 0.000 0.328 0.000) 0.328 1.956 ( 0.000 28.798 0.000) 28.798 2.355 ( 0.000 27.640 0.000) 27.640 2.493 ( 0.000 2.817 0.000) 2.817 2.962 ( 0.000 -7.001 0.000) 7.001 2.983 ( 0.000 6.036 0.000) 6.036 3.033 ( 0.000 -6.301 0.000) 6.301 3.086 ( 0.000 -10.528 0.000) 10.528 3.101 ( 0.000 -4.889 0.000) 4.889 3.242 ( 0.000 -9.858 0.000) 9.858 3.511 ( 0.000 -1.195 0.000) 1.195 3.514 ( 0.000 12.721 0.000) 12.721 3.646 ( 0.000 -3.228 0.000) 3.228 3.776 ( 0.000 -0.179 0.000) 0.179 4.033 ( 0.000 0.790 0.000) 0.790 4.188 ( 0.000 0.028 0.000) 0.028 4.394 ( 0.000 -4.782 0.000) 4.782 4.485 ( 0.000 12.481 0.000) 12.481 4.744 ( 0.000 13.721 0.000) 13.721 4.869 ( 0.000 -6.374 0.000) 6.374 4.934 ( 0.000 -6.785 0.000) 6.785 5.355 ( 0.000 16.727 0.000) 16.727 5.384 ( 0.000 6.152 0.000) 6.152 5.557 ( 0.000 4.182 0.000) 4.182 5.573 ( 0.000 9.369 0.000) 9.369 5.786 ( 0.000 9.842 0.000) 9.842 5.835 ( 0.000 -1.378 0.000) 1.378 5.980 ( 0.000 9.303 0.000) 9.303 6.045 ( 0.000 -4.103 0.000) 4.103 6.110 ( 0.000 -4.725 0.000) 4.725 6.121 ( 0.000 -10.896 0.000) 10.896 6.130 ( 0.000 7.131 0.000) 7.131 6.398 ( 0.000 -6.279 0.000) 6.279 6.420 ( 0.000 -0.095 0.000) 0.095 6.691 ( 0.000 -10.894 0.000) 10.894 6.725 ( 0.000 -0.371 0.000) 0.371 6.759 ( 0.000 -10.163 0.000) 10.163 6.770 ( 0.000 -6.815 0.000) 6.815 6.912 ( 0.000 5.152 0.000) 5.152 7.195 ( 0.000 2.226 0.000) 2.226 7.235 ( 0.000 2.750 0.000) 2.750 7.457 ( 0.000 -1.821 0.000) 1.821 7.507 ( 0.000 -6.452 0.000) 6.452 7.563 ( 0.000 -1.223 0.000) 1.223 7.656 ( 0.000 4.343 0.000) 4.343 7.792 ( 0.000 -13.579 0.000) 13.579 7.913 ( 0.000 9.488 0.000) 9.488 7.987 ( 0.000 5.087 0.000) 5.087 8.157 ( 0.000 3.629 0.000) 3.629 8.275 ( 0.000 12.700 0.000) 12.700 8.360 ( 0.000 -6.905 0.000) 6.905 8.380 ( 0.000 8.988 0.000) 8.988 8.459 ( 0.000 7.373 0.000) 7.373 8.718 ( 0.000 5.506 0.000) 5.506 9.009 ( 0.000 1.287 0.000) 1.287 9.447 ( 0.000 5.265 0.000) 5.265 9.668 ( 0.000 12.184 0.000) 12.184 10.184 ( 0.000 -6.031 0.000) 6.031 10.186 ( 0.000 6.781 0.000) 6.781 10.249 ( 0.000 16.074 0.000) 16.074 10.307 ( 0.000 1.341 0.000) 1.341 10.424 ( 0.000 -3.663 0.000) 3.663 10.802 ( 0.000 -5.391 0.000) 5.391 10.909 ( 0.000 -2.006 0.000) 2.006 11.082 ( 0.000 -6.148 0.000) 6.148 11.535 ( 0.000 -3.198 0.000) 3.198 11.656 ( 0.000 4.174 0.000) 4.174 11.950 ( 0.000 -10.167 0.000) 10.167 12.065 ( 0.000 -6.394 0.000) 6.394 12.389 ( 0.000 -0.877 0.000) 0.877 12.489 ( 0.000 -3.143 0.000) 3.143 12.746 ( 0.000 -6.734 0.000) 6.734 12.835 ( 0.000 -8.913 0.000) 8.913 13.376 ( 0.000 12.770 0.000) 12.770 14.040 ( 0.000 -9.610 0.000) 9.610 14.564 ( 0.000 2.513 0.000) 2.513 14.620 ( 0.000 0.959 0.000) 0.959 14.836 ( 0.000 6.886 0.000) 6.886 14.972 ( 0.000 10.667 0.000) 10.667 15.416 ( 0.000 1.515 0.000) 1.515 15.515 ( 0.000 -0.300 0.000) 0.300 15.627 ( 0.000 6.956 0.000) 6.956 16.110 ( 0.000 -9.369 0.000) 9.369 16.271 ( 0.000 -16.243 0.000) 16.243 16.789 ( 0.000 -14.499 0.000) 14.499 17.600 ( 0.000 15.502 0.000) 15.502 18.113 ( 0.000 13.816 0.000) 13.816 18.496 ( 0.000 1.171 0.000) 1.171 18.604 ( 0.000 8.593 0.000) 8.593 18.709 ( 0.000 -1.222 0.000) 1.222 19.208 ( 0.000 2.241 0.000) 2.241 19.494 ( 0.000 -14.470 0.000) 14.470 19.741 ( 0.000 -16.868 0.000) 16.868 21.002 ( 0.000 7.264 0.000) 7.264 21.176 ( 0.000 0.299 0.000) 0.299 22.000 ( 0.000 -0.383 0.000) 0.383 22.833 ( 0.000 -22.071 0.000) 22.071 23.959 ( 0.000 -2.346 0.000) 2.346 24.344 ( 0.000 -5.785 0.000) 5.785 24.744 ( 0.000 10.905 0.000) 10.905 25.087 ( 0.000 9.483 0.000) 9.483 25.328 ( 0.000 -5.075 0.000) 5.075 25.369 ( 0.000 -6.577 0.000) 6.577 26.019 ( 0.000 -2.577 0.000) 2.577 26.025 ( 0.000 -4.138 0.000) 4.138 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 1.398 28.638 0.000) 28.672 1.300 ( -18.027 14.182 0.000) 22.937 1.499 ( 15.000 22.488 0.000) 27.031 1.894 ( -17.536 14.966 0.000) 23.054 2.274 ( 18.871 -5.001 0.000) 19.523 2.359 ( 19.125 20.932 0.000) 28.354 2.665 ( -13.111 -6.236 0.000) 14.519 2.767 ( -13.834 4.232 0.000) 14.467 2.893 ( 16.213 12.918 0.000) 20.730 3.074 ( 2.534 -4.875 0.000) 5.495 3.125 ( -0.797 -7.259 0.000) 7.302 3.216 ( 0.977 -1.342 0.000) 1.660 3.285 ( 3.109 -6.079 0.000) 6.828 3.409 ( -16.166 12.356 0.000) 20.347 3.476 ( -1.426 8.547 0.000) 8.665 3.554 ( -10.644 3.035 0.000) 11.068 3.760 ( 16.158 -4.014 0.000) 16.650 4.017 ( -2.533 -2.994 0.000) 3.922 4.245 ( 0.369 -12.100 0.000) 12.105 4.323 ( -4.870 -8.948 0.000) 10.187 4.569 ( 6.163 10.049 0.000) 11.788 4.720 ( -6.292 5.689 0.000) 8.482 4.909 ( 6.600 1.940 0.000) 6.879 4.970 ( 1.441 -5.466 0.000) 5.653 5.418 ( 3.843 12.520 0.000) 13.097 5.469 ( 5.930 7.860 0.000) 9.846 5.508 ( -3.363 6.737 0.000) 7.530 5.581 ( -1.530 8.167 0.000) 8.309 5.779 ( 1.635 8.280 0.000) 8.440 5.848 ( -1.143 0.073 0.000) 1.145 5.959 ( -1.129 8.178 0.000) 8.255 6.001 ( -4.617 -2.232 0.000) 5.128 6.010 ( 1.033 -0.639 0.000) 1.215 6.100 ( -4.766 -5.273 0.000) 7.107 6.227 ( 6.244 -0.478 0.000) 6.262 6.336 ( -2.241 -2.760 0.000) 3.555 6.554 ( 4.704 -7.936 0.000) 9.226 6.620 ( -3.384 -10.988 0.000) 11.498 6.662 ( 0.086 -1.066 0.000) 1.070 6.756 ( -3.819 -3.230 0.000) 5.002 6.854 ( 3.962 -4.191 0.000) 5.767 6.904 ( -0.519 -1.444 0.000) 1.535 7.157 ( -0.836 3.574 0.000) 3.671 7.188 ( -2.923 3.715 0.000) 4.727 7.506 ( 0.822 -4.411 0.000) 4.487 7.512 ( 2.141 -3.039 0.000) 3.717 7.568 ( 0.104 -0.889 0.000) 0.895 7.600 ( -3.660 0.837 0.000) 3.755 7.859 ( 6.509 -5.429 0.000) 8.476 7.947 ( 1.561 4.874 0.000) 5.118 7.969 ( -1.016 5.635 0.000) 5.726 8.041 ( -8.211 -3.796 0.000) 9.046 8.331 ( 4.488 12.042 0.000) 12.851 8.427 ( -2.724 9.449 0.000) 9.834 8.431 ( 3.807 10.413 0.000) 11.087 8.456 ( 3.966 6.131 0.000) 7.302 8.682 ( -0.044 1.519 0.000) 1.519 8.838 ( -11.035 0.201 0.000) 11.037 9.558 ( 6.355 5.818 0.000) 8.616 9.654 ( -1.951 9.343 0.000) 9.545 10.179 ( 0.494 2.911 0.000) 2.953 10.214 ( 1.767 2.255 0.000) 2.865 10.219 ( -2.709 10.914 0.000) 11.245 10.252 ( -1.779 1.527 0.000) 2.345 10.550 ( 8.026 -1.349 0.000) 8.139 10.722 ( -6.418 -2.535 0.000) 6.900 10.951 ( 3.213 -4.878 0.000) 5.841 11.034 ( -3.625 -6.386 0.000) 7.343 11.560 ( 1.913 -1.852 0.000) 2.663 11.613 ( -2.753 1.134 0.000) 2.978 11.995 ( 2.960 -7.960 0.000) 8.493 12.048 ( -1.530 -6.622 0.000) 6.796 12.416 ( 2.030 -1.334 0.000) 2.429 12.464 ( -1.942 -2.433 0.000) 3.113 12.765 ( 1.518 -7.429 0.000) 7.583 12.806 ( -2.003 -8.348 0.000) 8.585 13.591 ( 18.474 11.884 0.000) 21.966 14.027 ( -10.040 -2.354 0.000) 10.312 14.504 ( -5.697 1.584 0.000) 5.913 14.541 ( -2.595 0.867 0.000) 2.736 14.762 ( -1.008 7.047 0.000) 7.119 14.855 ( -7.922 6.486 0.000) 10.238 15.373 ( -0.183 4.292 0.000) 4.296 15.458 ( -8.916 8.434 0.000) 12.273 15.638 ( 6.915 5.508 0.000) 8.840 15.797 ( -8.691 7.089 0.000) 11.216 16.553 ( 9.842 -19.401 0.000) 21.754 16.722 ( -5.595 -15.984 0.000) 16.935 17.798 ( 13.433 9.421 0.000) 16.408 18.071 ( -8.144 7.589 0.000) 11.131 18.373 ( 2.116 10.764 0.000) 10.970 18.559 ( -10.750 5.885 0.000) 12.256 18.831 ( 11.144 3.105 0.000) 11.569 19.060 ( -9.502 3.418 0.000) 10.098 19.558 ( 5.219 -13.837 0.000) 14.789 19.686 ( -5.064 -14.528 0.000) 15.385 21.022 ( 3.456 3.343 0.000) 4.808 21.124 ( -4.290 0.665 0.000) 4.341 22.388 ( 22.612 -16.252 0.000) 27.846 22.742 ( -8.891 -22.191 0.000) 23.906 24.058 ( 8.116 -3.849 0.000) 8.983 24.253 ( -7.575 -5.684 0.000) 9.470 24.805 ( 5.330 10.582 0.000) 11.849 24.966 ( -8.162 9.673 0.000) 12.656 25.351 ( 1.674 -4.866 0.000) 5.146 25.379 ( -0.316 -5.261 0.000) 5.271 26.023 ( 0.283 -2.853 0.000) 2.867 26.026 ( 0.006 -3.647 0.000) 3.647 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.681 ( 0.000 23.208 0.000) 23.208 1.783 ( 0.000 19.081 0.000) 19.081 1.927 ( 0.000 16.440 0.000) 16.440 1.979 ( 0.000 5.703 0.000) 5.703 2.215 ( 0.000 0.330 0.000) 0.330 2.587 ( 0.000 5.342 0.000) 5.342 2.768 ( 0.000 -18.618 0.000) 18.618 2.878 ( 0.000 -7.563 0.000) 7.563 2.921 ( 0.000 9.732 0.000) 9.732 3.000 ( 0.000 -5.333 0.000) 5.333 3.038 ( 0.000 -8.431 0.000) 8.431 3.129 ( 0.000 32.172 0.000) 32.172 3.150 ( 0.000 9.020 0.000) 9.020 3.555 ( 0.000 -13.610 0.000) 13.610 3.555 ( 0.000 4.425 0.000) 4.425 3.645 ( 0.000 2.404 0.000) 2.404 3.683 ( 0.000 2.243 0.000) 2.243 4.144 ( 0.000 -2.295 0.000) 2.295 4.185 ( 0.000 3.088 0.000) 3.088 4.376 ( 0.000 4.534 0.000) 4.534 4.513 ( 0.000 -12.903 0.000) 12.903 4.660 ( 0.000 -11.136 0.000) 11.136 4.852 ( 0.000 4.148 0.000) 4.148 4.948 ( 0.000 4.700 0.000) 4.700 5.547 ( 0.000 9.318 0.000) 9.318 5.606 ( 0.000 0.626 0.000) 0.626 5.651 ( 0.000 10.797 0.000) 10.797 5.761 ( 0.000 8.054 0.000) 8.054 5.787 ( 0.000 -9.575 0.000) 9.575 5.863 ( 0.000 2.955 0.000) 2.955 5.990 ( 0.000 -6.637 0.000) 6.637 5.997 ( 0.000 -2.683 0.000) 2.683 6.098 ( 0.000 8.297 0.000) 8.297 6.166 ( 0.000 6.781 0.000) 6.781 6.269 ( 0.000 6.156 0.000) 6.156 6.304 ( 0.000 -2.040 0.000) 2.040 6.405 ( 0.000 0.115 0.000) 0.115 6.478 ( 0.000 -7.801 0.000) 7.801 6.565 ( 0.000 -7.831 0.000) 7.831 6.613 ( 0.000 -7.657 0.000) 7.657 6.836 ( 0.000 8.747 0.000) 8.747 7.060 ( 0.000 7.866 0.000) 7.866 7.194 ( 0.000 -5.733 0.000) 5.733 7.244 ( 0.000 2.583 0.000) 2.583 7.348 ( 0.000 -7.036 0.000) 7.036 7.353 ( 0.000 -7.594 0.000) 7.594 7.443 ( 0.000 -10.506 0.000) 10.506 7.468 ( 0.000 -6.614 0.000) 6.614 7.913 ( 0.000 10.777 0.000) 10.777 8.090 ( 0.000 6.988 0.000) 6.988 8.130 ( 0.000 7.607 0.000) 7.607 8.202 ( 0.000 -0.911 0.000) 0.911 8.285 ( 0.000 -1.325 0.000) 1.325 8.457 ( 0.000 -2.091 0.000) 2.091 8.524 ( 0.000 10.115 0.000) 10.115 8.632 ( 0.000 7.481 0.000) 7.481 8.873 ( 0.000 10.013 0.000) 10.013 9.165 ( 0.000 14.398 0.000) 14.398 9.420 ( 0.000 -7.530 0.000) 7.530 9.835 ( 0.000 -0.739 0.000) 0.739 10.027 ( 0.000 -4.631 0.000) 4.631 10.267 ( 0.000 -6.773 0.000) 6.773 10.282 ( 0.000 2.032 0.000) 2.032 10.323 ( 0.000 -0.299 0.000) 0.299 10.622 ( 0.000 13.832 0.000) 13.832 10.775 ( 0.000 2.792 0.000) 2.792 10.878 ( 0.000 -0.990 0.000) 0.990 10.961 ( 0.000 -4.750 0.000) 4.750 11.468 ( 0.000 -2.150 0.000) 2.150 11.708 ( 0.000 -11.761 0.000) 11.761 11.713 ( 0.000 1.803 0.000) 1.803 11.909 ( 0.000 -7.724 0.000) 7.724 12.425 ( 0.000 4.037 0.000) 4.037 12.465 ( 0.000 1.203 0.000) 1.203 12.626 ( 0.000 -4.722 0.000) 4.722 12.663 ( 0.000 -7.179 0.000) 7.179 13.558 ( 0.000 5.388 0.000) 5.388 13.831 ( 0.000 -9.525 0.000) 9.525 14.605 ( 0.000 1.333 0.000) 1.333 14.630 ( 0.000 0.007 0.000) 0.007 14.990 ( 0.000 7.425 0.000) 7.425 15.161 ( 0.000 4.526 0.000) 4.526 15.465 ( 0.000 5.115 0.000) 5.115 15.545 ( 0.000 3.691 0.000) 3.691 15.809 ( 0.000 8.441 0.000) 8.441 15.901 ( 0.000 -8.106 0.000) 8.106 15.942 ( 0.000 -14.560 0.000) 14.560 16.444 ( 0.000 -17.143 0.000) 17.143 17.915 ( 0.000 13.820 0.000) 13.820 18.293 ( 0.000 -0.563 0.000) 0.563 18.632 ( 0.000 14.189 0.000) 14.189 18.735 ( 0.000 3.661 0.000) 3.661 18.790 ( 0.000 7.638 0.000) 7.638 19.208 ( 0.000 -2.155 0.000) 2.155 19.223 ( 0.000 -10.044 0.000) 10.044 19.371 ( 0.000 -17.867 0.000) 17.867 21.125 ( 0.000 4.223 0.000) 4.223 21.185 ( 0.000 0.371 0.000) 0.371 22.025 ( 0.000 3.305 0.000) 3.305 22.428 ( 0.000 -16.100 0.000) 16.100 23.958 ( 0.000 2.204 0.000) 2.204 24.195 ( 0.000 -7.697 0.000) 7.697 24.929 ( 0.000 7.232 0.000) 7.232 25.221 ( 0.000 -7.191 0.000) 7.191 25.234 ( 0.000 4.327 0.000) 4.327 25.274 ( 0.000 -0.419 0.000) 0.419 25.956 ( 0.000 -2.152 0.000) 2.152 25.967 ( 0.000 -2.118 0.000) 2.118 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.659 ( -0.377 25.539 0.000) 25.542 1.726 ( -6.725 22.461 0.000) 23.446 1.908 ( 9.705 15.436 0.000) 18.234 2.146 ( -8.711 6.919 0.000) 11.124 2.238 ( 12.819 1.652 0.000) 12.925 2.495 ( -8.132 -1.229 0.000) 8.224 2.662 ( 0.798 0.100 0.000) 0.804 2.800 ( -7.057 -3.228 0.000) 7.760 2.941 ( 1.154 -7.178 0.000) 7.270 2.959 ( -0.778 -5.424 0.000) 5.480 3.118 ( 3.888 1.944 0.000) 4.347 3.186 ( -0.996 2.496 0.000) 2.687 3.386 ( 16.628 16.781 0.000) 23.624 3.502 ( 1.248 -2.590 0.000) 2.875 3.589 ( -2.746 1.336 0.000) 3.054 3.679 ( -5.051 1.443 0.000) 5.253 3.720 ( 9.074 -0.064 0.000) 9.074 3.998 ( -12.066 -5.319 0.000) 13.186 4.089 ( -1.229 6.187 0.000) 6.308 4.216 ( -9.211 0.996 0.000) 9.264 4.613 ( 4.701 -5.817 0.000) 7.479 4.671 ( -0.338 -6.401 0.000) 6.410 4.887 ( 2.905 -0.815 0.000) 3.017 4.949 ( -1.442 -1.205 0.000) 1.879 5.604 ( 2.289 2.907 0.000) 3.700 5.646 ( -1.232 7.930 0.000) 8.025 5.662 ( 5.624 9.276 0.000) 10.847 5.740 ( 0.043 2.918 0.000) 2.919 5.789 ( -0.179 0.152 0.000) 0.235 5.843 ( -2.744 0.324 0.000) 2.763 5.985 ( 0.480 -2.134 0.000) 2.187 6.007 ( -0.103 -4.391 0.000) 4.392 6.108 ( 1.395 8.884 0.000) 8.993 6.163 ( -2.262 8.898 0.000) 9.181 6.264 ( 1.784 2.232 0.000) 2.858 6.303 ( -0.428 -0.558 0.000) 0.703 6.425 ( 0.362 -2.552 0.000) 2.577 6.434 ( -1.554 -5.475 0.000) 5.691 6.590 ( -0.079 -6.320 0.000) 6.321 6.605 ( 0.592 -7.879 0.000) 7.901 6.888 ( 4.006 6.786 0.000) 7.880 6.995 ( -4.930 6.574 0.000) 8.217 7.190 ( -1.332 -0.243 0.000) 1.354 7.192 ( -0.442 -2.152 0.000) 2.197 7.343 ( 1.074 -8.905 0.000) 8.970 7.396 ( -2.143 -8.041 0.000) 8.322 7.456 ( 3.377 -7.405 0.000) 8.139 7.488 ( 0.577 -5.664 0.000) 5.693 7.903 ( 1.097 5.960 0.000) 6.060 8.005 ( -7.519 0.718 0.000) 7.553 8.125 ( 1.855 9.213 0.000) 9.398 8.150 ( -0.555 9.058 0.000) 9.075 8.444 ( 4.992 -4.010 0.000) 6.403 8.468 ( 0.895 -1.540 0.000) 1.781 8.605 ( 5.868 7.469 0.000) 9.498 8.666 ( 3.004 7.926 0.000) 8.476 8.819 ( -2.433 11.826 0.000) 12.073 8.966 ( -11.956 11.570 0.000) 16.638 9.574 ( 8.724 -3.194 0.000) 9.290 9.749 ( -6.541 -1.556 0.000) 6.723 10.059 ( 2.852 -5.647 0.000) 6.326 10.150 ( -5.219 -5.536 0.000) 7.608 10.365 ( 5.543 4.109 0.000) 6.900 10.429 ( 2.149 1.140 0.000) 2.432 10.628 ( 2.076 9.768 0.000) 9.986 10.724 ( -4.365 3.334 0.000) 5.493 10.885 ( 0.796 -1.678 0.000) 1.857 10.923 ( -2.464 -3.784 0.000) 4.516 11.504 ( 2.849 -2.398 0.000) 3.723 11.587 ( -4.713 -3.312 0.000) 5.760 11.823 ( 3.960 -6.883 0.000) 7.941 11.887 ( -1.876 -7.774 0.000) 7.997 12.439 ( 0.904 3.283 0.000) 3.405 12.457 ( -0.653 1.880 0.000) 1.990 12.631 ( 0.454 -5.281 0.000) 5.300 12.648 ( -0.996 -6.497 0.000) 6.573 13.732 ( 13.190 2.983 0.000) 13.523 13.906 ( 2.042 -6.864 0.000) 7.161 14.537 ( -6.138 1.103 0.000) 6.237 14.552 ( -4.680 0.174 0.000) 4.683 14.918 ( -2.353 6.940 0.000) 7.328 14.986 ( -8.530 4.910 0.000) 9.842 15.498 ( 3.636 7.525 0.000) 8.358 15.633 ( -8.661 7.937 0.000) 11.748 15.711 ( 8.543 2.132 0.000) 8.805 15.834 ( -2.583 -1.990 0.000) 3.261 16.163 ( 9.847 -15.636 0.000) 18.478 16.357 ( -7.047 -17.228 0.000) 18.613 18.020 ( 7.925 10.137 0.000) 12.867 18.201 ( -7.130 3.341 0.000) 7.874 18.611 ( -0.046 10.753 0.000) 10.753 18.668 ( -4.411 4.985 0.000) 6.656 18.907 ( 8.509 4.296 0.000) 9.532 19.099 ( -7.698 -0.156 0.000) 7.699 19.302 ( 5.345 -9.649 0.000) 11.031 19.387 ( -1.166 -13.228 0.000) 13.279 21.102 ( -0.089 3.562 0.000) 3.563 21.145 ( -2.920 1.059 0.000) 3.106 22.175 ( 10.149 -4.841 0.000) 11.244 22.365 ( -5.774 -13.531 0.000) 14.712 24.016 ( 4.748 -0.189 0.000) 4.752 24.135 ( -4.853 -5.184 0.000) 7.101 24.969 ( 3.600 5.466 0.000) 6.545 25.086 ( -6.473 1.508 0.000) 6.647 25.291 ( 1.114 -1.032 0.000) 1.519 25.299 ( 1.008 -1.891 0.000) 2.143 25.963 ( 0.457 -2.083 0.000) 2.132 25.969 ( 0.025 -2.063 0.000) 2.064 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 -3.523 0.000) 3.523 1.999 ( 0.000 3.523 0.000) 3.523 2.120 ( 0.000 -6.850 0.000) 6.850 2.120 ( 0.000 6.850 0.000) 6.850 2.317 ( 0.000 -21.313 0.000) 21.313 2.317 ( 0.000 21.313 0.000) 21.313 2.729 ( 0.000 -6.416 0.000) 6.416 2.729 ( 0.000 6.416 0.000) 6.416 2.926 ( 0.000 -0.562 0.000) 0.562 2.926 ( 0.000 0.562 0.000) 0.562 3.170 ( 0.000 -11.564 0.000) 11.564 3.170 ( 0.000 11.564 0.000) 11.564 3.431 ( 0.000 -4.152 0.000) 4.152 3.431 ( 0.000 4.152 0.000) 4.152 3.653 ( 0.000 -3.199 0.000) 3.199 3.653 ( 0.000 3.199 0.000) 3.199 3.935 ( 0.000 -22.784 0.000) 22.784 3.935 ( 0.000 22.784 0.000) 22.784 4.214 ( 0.000 -10.667 0.000) 10.667 4.214 ( 0.000 10.667 0.000) 10.667 4.512 ( 0.000 -5.562 0.000) 5.562 4.512 ( 0.000 5.562 0.000) 5.562 4.953 ( 0.000 -3.336 0.000) 3.336 4.953 ( 0.000 3.336 0.000) 3.336 5.631 ( 0.000 -3.543 0.000) 3.543 5.631 ( 0.000 3.543 0.000) 3.543 5.740 ( 0.000 -6.173 0.000) 6.173 5.740 ( 0.000 6.173 0.000) 6.173 5.880 ( 0.000 -2.467 0.000) 2.467 5.880 ( 0.000 2.467 0.000) 2.467 5.912 ( 0.000 -3.409 0.000) 3.409 5.912 ( 0.000 3.409 0.000) 3.409 6.217 ( 0.000 -1.585 0.000) 1.585 6.217 ( 0.000 1.585 0.000) 1.585 6.325 ( 0.000 -2.943 0.000) 2.943 6.325 ( 0.000 2.943 0.000) 2.943 6.443 ( 0.000 -3.613 0.000) 3.613 6.443 ( 0.000 3.613 0.000) 3.613 6.454 ( 0.000 -6.707 0.000) 6.707 6.454 ( 0.000 6.707 0.000) 6.707 7.032 ( 0.000 -8.955 0.000) 8.955 7.032 ( 0.000 8.955 0.000) 8.955 7.212 ( 0.000 -5.450 0.000) 5.450 7.212 ( 0.000 5.450 0.000) 5.450 7.289 ( 0.000 -3.528 0.000) 3.528 7.289 ( 0.000 3.528 0.000) 3.528 7.329 ( 0.000 -5.698 0.000) 5.698 7.329 ( 0.000 5.698 0.000) 5.698 8.111 ( 0.000 -7.274 0.000) 7.274 8.111 ( 0.000 7.274 0.000) 7.274 8.197 ( 0.000 -2.678 0.000) 2.678 8.197 ( 0.000 2.678 0.000) 2.678 8.343 ( 0.000 -6.928 0.000) 6.928 8.343 ( 0.000 6.928 0.000) 6.928 8.675 ( 0.000 -3.397 0.000) 3.397 8.675 ( 0.000 3.397 0.000) 3.397 9.163 ( 0.000 -15.285 0.000) 15.285 9.163 ( 0.000 15.285 0.000) 15.285 9.549 ( 0.000 -19.312 0.000) 19.312 9.549 ( 0.000 19.312 0.000) 19.312 10.113 ( 0.000 -7.312 0.000) 7.312 10.113 ( 0.000 7.312 0.000) 7.312 10.304 ( 0.000 -0.929 0.000) 0.929 10.304 ( 0.000 0.929 0.000) 0.929 10.829 ( 0.000 -5.196 0.000) 5.196 10.829 ( 0.000 5.196 0.000) 5.196 10.868 ( 0.000 -4.672 0.000) 4.672 10.868 ( 0.000 4.672 0.000) 4.672 11.503 ( 0.000 -6.297 0.000) 6.297 11.503 ( 0.000 6.297 0.000) 6.297 11.772 ( 0.000 -4.574 0.000) 4.574 11.772 ( 0.000 4.574 0.000) 4.574 12.528 ( 0.000 -4.920 0.000) 4.920 12.528 ( 0.000 4.920 0.000) 4.920 12.534 ( 0.000 -4.924 0.000) 4.924 12.534 ( 0.000 4.924 0.000) 4.924 13.665 ( 0.000 -5.930 0.000) 5.930 13.665 ( 0.000 5.930 0.000) 5.930 14.624 ( 0.000 -0.537 0.000) 0.537 14.624 ( 0.000 0.537 0.000) 0.537 15.133 ( 0.000 -5.358 0.000) 5.358 15.133 ( 0.000 5.358 0.000) 5.358 15.660 ( 0.000 -11.973 0.000) 11.973 15.660 ( 0.000 11.973 0.000) 11.973 15.677 ( 0.000 -8.466 0.000) 8.466 15.677 ( 0.000 8.466 0.000) 8.466 16.099 ( 0.000 -14.882 0.000) 14.882 16.099 ( 0.000 14.882 0.000) 14.882 18.167 ( 0.000 -9.628 0.000) 9.628 18.167 ( 0.000 9.628 0.000) 9.628 18.835 ( 0.000 -3.931 0.000) 3.931 18.835 ( 0.000 3.931 0.000) 3.931 18.991 ( 0.000 -17.955 0.000) 17.955 18.991 ( 0.000 17.955 0.000) 17.955 19.141 ( 0.000 -2.439 0.000) 2.439 19.141 ( 0.000 2.439 0.000) 2.439 21.180 ( 0.000 -1.136 0.000) 1.136 21.180 ( 0.000 1.136 0.000) 1.136 22.157 ( 0.000 -9.416 0.000) 9.416 22.157 ( 0.000 9.416 0.000) 9.416 24.046 ( 0.000 -5.899 0.000) 5.899 24.046 ( 0.000 5.899 0.000) 5.899 25.073 ( 0.000 -6.721 0.000) 6.721 25.073 ( 0.000 6.721 0.000) 6.721 25.277 ( 0.000 -0.207 0.000) 0.207 25.277 ( 0.000 0.207 0.000) 0.207 25.938 ( 0.000 -0.391 0.000) 0.391 25.938 ( 0.000 0.391 0.000) 0.391 ======================= Grid point 14 (10/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.981 ( -0.722 -1.025 0.000) 1.254 1.981 ( -0.722 1.025 0.000) 1.254 2.215 ( 5.898 -0.906 0.000) 5.967 2.215 ( 5.898 0.906 0.000) 5.967 2.314 ( -0.537 -13.962 0.000) 13.972 2.314 ( -0.537 13.962 0.000) 13.972 2.670 ( -3.808 -5.386 0.000) 6.596 2.670 ( -3.808 5.386 0.000) 6.596 2.878 ( -2.055 -0.279 0.000) 2.074 2.878 ( -2.055 0.279 0.000) 2.074 3.252 ( 3.397 -6.534 0.000) 7.365 3.252 ( 3.397 6.534 0.000) 7.365 3.410 ( 0.556 -2.445 0.000) 2.507 3.410 ( 0.556 2.445 0.000) 2.507 3.648 ( -2.275 -0.874 0.000) 2.437 3.648 ( -2.275 0.874 0.000) 2.437 3.891 ( -0.906 -8.991 0.000) 9.037 3.891 ( -0.906 8.991 0.000) 9.037 4.205 ( -1.313 -4.167 0.000) 4.368 4.205 ( -1.313 4.167 0.000) 4.369 4.569 ( 4.082 -1.367 0.000) 4.304 4.569 ( 4.082 1.367 0.000) 4.304 4.887 ( -4.347 -0.427 0.000) 4.368 4.887 ( -4.347 0.427 0.000) 4.368 5.650 ( 3.541 -2.130 0.000) 4.132 5.650 ( 3.541 2.130 0.000) 4.132 5.787 ( -2.985 -1.292 0.000) 3.252 5.787 ( -2.985 1.292 0.000) 3.252 5.879 ( 2.897 -3.992 0.000) 4.932 5.879 ( 2.897 3.992 0.000) 4.932 5.911 ( 0.080 -1.841 0.000) 1.843 5.911 ( 0.080 1.841 0.000) 1.843 6.240 ( 1.708 -0.490 0.000) 1.777 6.240 ( 1.708 0.490 0.000) 1.777 6.302 ( -1.390 -0.004 0.000) 1.390 6.302 ( -1.390 0.004 0.000) 1.390 6.419 ( -1.592 -0.490 0.000) 1.666 6.419 ( -1.592 0.490 0.000) 1.666 6.485 ( 1.588 -0.231 0.000) 1.605 6.485 ( 1.588 0.231 0.000) 1.605 7.040 ( 0.487 -4.944 0.000) 4.968 7.040 ( 0.487 4.944 0.000) 4.968 7.175 ( -1.752 -0.073 0.000) 1.754 7.175 ( -1.752 0.073 0.000) 1.754 7.248 ( -1.613 -3.602 0.000) 3.947 7.248 ( -1.613 3.602 0.000) 3.947 7.393 ( 2.666 -0.486 0.000) 2.710 7.393 ( 2.666 0.486 0.000) 2.710 7.996 ( -4.186 -2.204 0.000) 4.730 7.996 ( -4.186 2.204 0.000) 4.730 8.301 ( 3.402 -3.084 0.000) 4.592 8.301 ( 3.402 3.084 0.000) 4.592 8.354 ( 0.635 -4.591 0.000) 4.635 8.354 ( 0.635 4.591 0.000) 4.635 8.717 ( 2.901 -2.134 0.000) 3.601 8.717 ( 2.901 2.134 0.000) 3.601 9.080 ( -4.819 -6.638 0.000) 8.203 9.080 ( -4.819 6.638 0.000) 8.203 9.585 ( 1.820 -8.548 0.000) 8.740 9.585 ( 1.820 8.548 0.000) 8.740 10.045 ( -2.855 -3.446 0.000) 4.475 10.045 ( -2.855 3.446 0.000) 4.475 10.408 ( 5.129 -0.690 0.000) 5.176 10.408 ( 5.129 0.690 0.000) 5.176 10.790 ( -2.627 -1.052 0.000) 2.830 10.790 ( -2.627 1.052 0.000) 2.830 10.861 ( -0.221 -1.207 0.000) 1.227 10.861 ( -0.221 1.207 0.000) 1.227 11.505 ( 0.132 -2.641 0.000) 2.644 11.505 ( 0.132 2.641 0.000) 2.644 11.768 ( -0.176 -2.142 0.000) 2.149 11.768 ( -0.176 2.142 0.000) 2.149 12.526 ( -0.185 -1.055 0.000) 1.071 12.526 ( -0.185 1.055 0.000) 1.071 12.532 ( 0.021 -0.985 0.000) 0.985 12.532 ( 0.021 0.985 0.000) 0.985 13.789 ( 7.732 -2.746 0.000) 8.205 13.789 ( 7.732 2.746 0.000) 8.205 14.550 ( -5.313 -0.065 0.000) 5.314 14.550 ( -5.313 0.065 0.000) 5.314 15.021 ( -5.000 -0.879 0.000) 5.076 15.021 ( -5.000 0.879 0.000) 5.076 15.673 ( 0.790 -6.739 0.000) 6.785 15.673 ( 0.790 6.739 0.000) 6.785 15.765 ( 4.104 -2.276 0.000) 4.693 15.765 ( 4.104 2.276 0.000) 4.693 16.056 ( -2.376 -8.374 0.000) 8.705 16.056 ( -2.376 8.374 0.000) 8.705 18.185 ( 0.990 -4.761 0.000) 4.863 18.185 ( 0.990 4.761 0.000) 4.863 18.743 ( -3.983 -0.000 0.000) 3.983 18.743 ( -3.983 0.000 0.000) 3.983 19.030 ( 1.245 -4.351 0.000) 4.526 19.030 ( 1.245 4.351 0.000) 4.526 19.199 ( 2.964 -0.667 0.000) 3.038 19.199 ( 2.964 0.667 0.000) 3.038 21.151 ( -1.557 -0.805 0.000) 1.753 21.151 ( -1.557 0.805 0.000) 1.753 22.172 ( 0.803 -4.535 0.000) 4.605 22.172 ( 0.803 4.535 0.000) 4.605 24.046 ( 0.033 -2.950 0.000) 2.950 24.046 ( 0.033 2.950 0.000) 2.950 25.057 ( -0.809 -3.087 0.000) 3.191 25.057 ( -0.809 3.087 0.000) 3.191 25.286 ( 0.422 -0.033 0.000) 0.424 25.286 ( 0.422 0.033 0.000) 0.424 25.943 ( 0.278 -0.149 0.000) 0.316 25.943 ( 0.278 0.149 0.000) 0.316 ======================= Grid point 27 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 0.000 31.833) 31.833 0.674 ( 0.000 0.000 34.596) 34.596 1.050 ( 0.000 0.000 49.810) 49.810 1.971 ( 0.000 0.000 9.107) 9.107 1.998 ( 0.000 0.000 16.746) 16.746 2.087 ( 0.000 0.000 8.238) 8.238 2.258 ( 0.000 0.000 -17.724) 17.724 2.892 ( 0.000 0.000 1.997) 1.997 3.081 ( 0.000 0.000 -3.173) 3.173 3.204 ( 0.000 0.000 4.102) 4.102 3.252 ( 0.000 0.000 -4.325) 4.325 3.280 ( 0.000 0.000 4.153) 4.153 3.457 ( 0.000 0.000 -1.914) 1.914 3.458 ( 0.000 0.000 0.527) 0.527 3.597 ( 0.000 0.000 -12.466) 12.466 3.632 ( 0.000 0.000 9.253) 9.253 3.719 ( 0.000 0.000 1.338) 1.338 3.947 ( 0.000 0.000 3.183) 3.183 3.981 ( 0.000 0.000 -0.393) 0.393 4.347 ( 0.000 0.000 4.308) 4.308 4.428 ( 0.000 0.000 8.783) 8.783 4.713 ( 0.000 0.000 -12.942) 12.942 4.769 ( 0.000 0.000 20.313) 20.313 4.798 ( 0.000 0.000 0.227) 0.227 5.061 ( 0.000 0.000 4.513) 4.513 5.116 ( 0.000 0.000 -13.671) 13.671 5.342 ( 0.000 0.000 -16.211) 16.211 5.366 ( 0.000 0.000 4.332) 4.332 5.415 ( 0.000 0.000 0.715) 0.715 5.538 ( 0.000 0.000 7.205) 7.205 5.854 ( 0.000 0.000 -0.590) 0.590 5.979 ( 0.000 0.000 5.880) 5.880 6.223 ( 0.000 0.000 -4.097) 4.097 6.351 ( 0.000 0.000 -6.014) 6.014 6.411 ( 0.000 0.000 -12.209) 12.209 6.492 ( 0.000 0.000 -3.826) 3.826 6.713 ( 0.000 0.000 6.447) 6.447 6.783 ( 0.000 0.000 -9.573) 9.573 6.785 ( 0.000 0.000 -4.739) 4.739 6.840 ( 0.000 0.000 -4.961) 4.961 6.983 ( 0.000 0.000 -0.958) 0.958 7.091 ( 0.000 0.000 -4.849) 4.849 7.137 ( 0.000 0.000 8.942) 8.942 7.335 ( 0.000 0.000 -10.415) 10.415 7.398 ( 0.000 0.000 6.600) 6.600 7.454 ( 0.000 0.000 7.159) 7.159 7.486 ( 0.000 0.000 -0.105) 0.105 7.600 ( 0.000 0.000 -0.425) 0.425 7.659 ( 0.000 0.000 8.470) 8.470 7.837 ( 0.000 0.000 4.241) 4.241 7.882 ( 0.000 0.000 8.719) 8.719 8.153 ( 0.000 0.000 -2.258) 2.258 8.203 ( 0.000 0.000 15.271) 15.271 8.433 ( 0.000 0.000 10.834) 10.834 8.475 ( 0.000 0.000 0.188) 0.188 8.643 ( 0.000 0.000 43.914) 43.914 8.874 ( 0.000 0.000 -8.564) 8.564 8.985 ( 0.000 0.000 8.878) 8.878 9.047 ( 0.000 0.000 -1.219) 1.219 9.675 ( 0.000 0.000 -4.714) 4.714 9.732 ( 0.000 0.000 -4.129) 4.129 10.262 ( 0.000 0.000 -1.692) 1.692 10.324 ( 0.000 0.000 0.872) 0.872 10.468 ( 0.000 0.000 -7.177) 7.177 10.687 ( 0.000 0.000 -21.145) 21.145 10.962 ( 0.000 0.000 -0.939) 0.939 11.036 ( 0.000 0.000 -3.374) 3.374 11.267 ( 0.000 0.000 3.280) 3.280 11.614 ( 0.000 0.000 9.479) 9.479 11.707 ( 0.000 0.000 3.863) 3.863 12.133 ( 0.000 0.000 -0.357) 0.357 12.255 ( 0.000 0.000 2.995) 2.995 12.380 ( 0.000 0.000 -4.780) 4.780 12.463 ( 0.000 0.000 -4.046) 4.046 12.842 ( 0.000 0.000 -12.175) 12.175 12.946 ( 0.000 0.000 5.257) 5.257 12.966 ( 0.000 0.000 -11.833) 11.833 13.380 ( 0.000 0.000 5.881) 5.881 14.348 ( 0.000 0.000 4.663) 4.663 14.509 ( 0.000 0.000 -11.311) 11.311 14.533 ( 0.000 0.000 4.197) 4.197 14.575 ( 0.000 0.000 -3.423) 3.423 14.603 ( 0.000 0.000 -4.338) 4.338 15.424 ( 0.000 0.000 -11.655) 11.655 16.062 ( 0.000 0.000 48.051) 48.051 16.782 ( 0.000 0.000 -8.576) 8.576 16.928 ( 0.000 0.000 -8.920) 8.920 16.947 ( 0.000 0.000 -14.218) 14.218 17.773 ( 0.000 0.000 -0.886) 0.886 18.161 ( 0.000 0.000 1.100) 1.100 18.197 ( 0.000 0.000 -1.076) 1.076 18.207 ( 0.000 0.000 -19.141) 19.141 19.021 ( 0.000 0.000 -2.494) 2.494 19.941 ( 0.000 0.000 3.905) 3.905 20.438 ( 0.000 0.000 18.575) 18.575 20.776 ( 0.000 0.000 4.166) 4.166 20.856 ( 0.000 0.000 -4.967) 4.967 21.250 ( 0.000 0.000 6.486) 6.486 22.039 ( 0.000 0.000 -6.279) 6.279 23.795 ( 0.000 0.000 -0.092) 0.092 23.958 ( 0.000 0.000 -12.770) 12.770 24.174 ( 0.000 0.000 3.059) 3.059 24.222 ( 0.000 0.000 7.812) 7.812 24.517 ( 0.000 0.000 6.722) 6.722 24.731 ( 0.000 0.000 0.796) 0.796 25.904 ( 0.000 0.000 -11.678) 11.678 26.059 ( 0.000 0.000 -8.956) 8.956 26.154 ( 0.000 0.000 0.215) 0.215 ======================= Grid point 28 (12/60) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 23.887 0.000 11.722) 26.608 0.911 ( 21.573 0.000 22.831) 31.411 1.418 ( -29.891 0.000 -2.683) 30.011 1.460 ( -26.020 0.000 16.054) 30.574 1.811 ( 42.309 0.000 35.729) 55.377 2.540 ( 2.401 0.000 -0.273) 2.416 2.576 ( 21.856 0.000 9.512) 23.837 2.803 ( -8.443 0.000 4.573) 9.602 2.960 ( -29.064 0.000 11.158) 31.133 3.012 ( -16.793 0.000 6.141) 17.881 3.194 ( 8.977 0.000 -1.762) 9.148 3.201 ( 0.095 0.000 0.135) 0.165 3.229 ( -2.228 0.000 -3.871) 4.466 3.393 ( -6.838 0.000 2.121) 7.159 3.549 ( 3.514 0.000 -2.252) 4.174 3.595 ( -0.742 0.000 -8.520) 8.552 3.866 ( 11.136 0.000 0.868) 11.170 4.051 ( 8.053 0.000 -10.552) 13.274 4.135 ( -11.958 0.000 3.214) 12.382 4.205 ( -2.750 0.000 -9.215) 9.617 4.583 ( 7.214 0.000 11.407) 13.496 4.716 ( -4.453 0.000 16.958) 17.533 4.790 ( 12.982 0.000 -5.605) 14.140 4.955 ( 2.878 0.000 -14.811) 15.088 5.138 ( 5.644 0.000 1.152) 5.761 5.167 ( 4.105 0.000 -12.644) 13.294 5.270 ( -4.431 0.000 -12.848) 13.590 5.304 ( -7.877 0.000 1.880) 8.098 5.442 ( 4.242 0.000 2.848) 5.109 5.518 ( -2.090 0.000 5.844) 6.207 5.953 ( 7.635 0.000 -2.219) 7.951 6.055 ( 5.170 0.000 1.340) 5.340 6.153 ( -4.516 0.000 -0.394) 4.533 6.262 ( -9.436 0.000 -5.129) 10.740 6.444 ( 3.605 0.000 -11.354) 11.912 6.484 ( 4.165 0.000 -0.445) 4.188 6.589 ( -9.003 0.000 -8.091) 12.104 6.617 ( -6.832 0.000 4.380) 8.115 6.914 ( 8.918 0.000 -2.507) 9.264 6.976 ( 3.710 0.000 0.671) 3.771 7.010 ( 0.887 0.000 2.216) 2.387 7.108 ( -6.415 0.000 4.948) 8.102 7.151 ( 5.700 0.000 -8.941) 10.603 7.274 ( -3.850 0.000 -10.730) 11.400 7.379 ( 3.378 0.000 4.784) 5.856 7.473 ( 0.585 0.000 0.843) 1.027 7.475 ( -2.903 0.000 1.301) 3.181 7.529 ( -4.578 0.000 -0.244) 4.584 7.709 ( 5.413 0.000 12.466) 13.590 7.881 ( -3.984 0.000 8.709) 9.577 7.973 ( 7.156 0.000 12.858) 14.715 8.047 ( 0.291 0.000 4.596) 4.606 8.134 ( -5.897 0.000 15.248) 16.349 8.220 ( -10.021 0.000 4.020) 10.797 8.637 ( 5.009 0.000 16.730) 17.463 8.686 ( 1.198 0.000 30.085) 30.109 8.922 ( 3.697 0.000 -6.984) 7.902 9.007 ( -3.289 0.000 -3.340) 4.688 9.122 ( 14.773 0.000 19.316) 24.317 9.691 ( 1.224 0.000 -4.555) 4.716 9.719 ( -1.084 0.000 -4.257) 4.392 9.740 ( -41.241 0.000 34.653) 53.867 10.310 ( 3.950 0.000 -1.715) 4.306 10.420 ( -6.163 0.000 -2.184) 6.539 10.559 ( 7.603 0.000 -6.378) 9.924 10.771 ( -10.429 0.000 -4.417) 11.326 11.163 ( 5.226 0.000 0.290) 5.234 11.244 ( -2.174 0.000 2.482) 3.300 11.584 ( 0.115 0.000 9.595) 9.595 11.625 ( -2.768 0.000 4.501) 5.284 12.151 ( 1.750 0.000 -0.136) 1.756 12.209 ( -3.046 0.000 1.203) 3.274 12.415 ( 2.189 0.000 -3.644) 4.251 12.453 ( -1.024 0.000 -3.575) 3.719 12.902 ( 2.952 0.000 -14.458) 14.756 12.953 ( -1.443 0.000 -12.782) 12.863 13.030 ( 7.266 0.000 5.370) 9.035 13.239 ( -10.063 0.000 5.660) 11.546 14.409 ( 3.820 0.000 -5.020) 6.308 14.481 ( -2.367 0.000 -10.537) 10.799 14.542 ( 0.780 0.000 2.928) 3.030 14.563 ( -0.926 0.000 -0.861) 1.264 14.833 ( 17.367 0.000 -5.550) 18.232 15.233 ( -15.540 0.000 -9.112) 18.015 16.121 ( 6.733 0.000 51.921) 52.356 16.453 ( -23.093 0.000 44.653) 50.271 16.925 ( 0.017 0.000 -10.617) 10.617 16.935 ( -0.753 0.000 -13.117) 13.139 17.897 ( 9.320 0.000 -1.606) 9.457 17.929 ( -9.323 0.000 6.974) 11.643 18.010 ( -15.656 0.000 -3.960) 16.149 18.104 ( -7.739 0.000 -1.655) 7.914 18.913 ( -6.086 0.000 12.471) 13.877 19.003 ( -11.035 0.000 10.076) 14.943 20.039 ( 8.234 0.000 6.285) 10.358 20.270 ( -11.165 0.000 11.790) 16.238 21.000 ( 9.152 0.000 1.275) 9.240 21.179 ( -6.056 0.000 5.210) 7.989 23.641 ( 28.081 0.000 -36.846) 46.327 23.857 ( 5.244 0.000 0.997) 5.338 23.914 ( -4.530 0.000 -16.428) 17.041 24.011 ( -7.991 0.000 3.189) 8.604 24.365 ( 6.346 0.000 6.679) 9.213 24.477 ( -3.479 0.000 6.756) 7.599 25.101 ( 24.432 0.000 -16.412) 29.432 25.584 ( -19.186 0.000 -12.037) 22.649 26.130 ( 1.876 0.000 -2.516) 3.138 26.153 ( -0.412 0.000 -0.744) 0.850 ======================= Grid point 30 (13/60) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.761 ( 0.000 19.447 18.792) 27.043 0.872 ( 0.000 17.130 27.295) 32.225 1.553 ( 0.000 33.224 32.588) 46.538 1.889 ( 0.000 -3.688 12.263) 12.805 2.016 ( 0.000 -3.769 4.391) 5.787 2.099 ( 0.000 8.091 14.019) 16.186 2.322 ( 0.000 3.952 -10.427) 11.151 2.911 ( 0.000 1.694 1.361) 2.173 3.117 ( 0.000 -0.204 -2.543) 2.551 3.184 ( 0.000 -3.614 5.431) 6.524 3.220 ( 0.000 -2.955 -3.924) 4.912 3.227 ( 0.000 -0.718 1.834) 1.970 3.351 ( 0.000 -4.856 2.030) 5.263 3.386 ( 0.000 -5.184 -0.678) 5.228 3.556 ( 0.000 -9.762 1.110) 9.825 3.678 ( 0.000 0.804 -6.562) 6.611 3.753 ( 0.000 9.634 7.291) 12.082 3.968 ( 0.000 0.442 -6.794) 6.808 4.159 ( 0.000 13.841 1.636) 13.937 4.306 ( 0.000 -9.597 8.319) 12.700 4.397 ( 0.000 6.811 2.334) 7.200 4.738 ( 0.000 -0.003 13.782) 13.782 4.771 ( 0.000 3.360 -10.402) 10.931 5.006 ( 0.000 -3.256 -4.986) 5.955 5.022 ( 0.000 15.548 5.497) 16.491 5.194 ( 0.000 5.231 -6.179) 8.096 5.414 ( 0.000 6.129 -16.422) 17.529 5.435 ( 0.000 6.460 2.023) 6.770 5.488 ( 0.000 5.178 4.988) 7.190 5.681 ( 0.000 10.908 -1.331) 10.989 5.875 ( 0.000 1.661 -1.327) 2.126 5.955 ( 0.000 -0.220 2.894) 2.903 6.136 ( 0.000 -13.763 -4.737) 14.556 6.195 ( 0.000 -2.442 -2.947) 3.827 6.384 ( 0.000 -4.324 -7.126) 8.335 6.467 ( 0.000 0.740 1.463) 1.640 6.495 ( 0.000 -10.746 2.598) 11.056 6.847 ( 0.000 -9.321 0.372) 9.329 6.850 ( 0.000 2.495 -3.430) 4.242 6.903 ( 0.000 -0.453 -0.483) 0.662 7.026 ( 0.000 5.453 2.276) 5.909 7.044 ( 0.000 1.888 -7.171) 7.415 7.116 ( 0.000 -1.440 6.261) 6.425 7.201 ( 0.000 -3.382 -8.250) 8.917 7.214 ( 0.000 -7.870 8.816) 11.818 7.514 ( 0.000 2.696 -2.102) 3.418 7.606 ( 0.000 4.181 0.917) 4.281 7.637 ( 0.000 -0.914 6.033) 6.102 7.718 ( 0.000 8.126 1.428) 8.250 7.974 ( 0.000 3.572 1.876) 4.035 8.007 ( 0.000 9.088 10.709) 14.045 8.191 ( 0.000 -9.509 2.908) 9.944 8.221 ( 0.000 9.246 -10.698) 14.139 8.251 ( 0.000 -3.466 12.716) 13.179 8.452 ( 0.000 1.459 7.784) 7.919 8.654 ( 0.000 -15.251 5.240) 16.126 8.684 ( 0.000 3.644 38.315) 38.488 9.125 ( 0.000 15.422 -7.793) 17.279 9.393 ( 0.000 16.668 2.333) 16.830 9.621 ( 0.000 -8.433 10.724) 13.642 9.874 ( 0.000 12.649 -3.793) 13.205 10.162 ( 0.000 -16.189 6.659) 17.505 10.230 ( 0.000 -3.020 -2.922) 4.202 10.298 ( 0.000 -2.160 -0.331) 2.185 10.472 ( 0.000 -3.224 -3.308) 4.619 10.946 ( 0.000 -7.204 -1.170) 7.298 10.950 ( 0.000 -1.306 -1.024) 1.659 11.219 ( 0.000 -4.497 2.300) 5.051 11.547 ( 0.000 0.260 2.417) 2.431 11.599 ( 0.000 -1.773 1.275) 2.184 12.095 ( 0.000 -3.706 0.358) 3.723 12.211 ( 0.000 -4.017 2.903) 4.957 12.451 ( 0.000 0.468 0.612) 0.771 12.568 ( 0.000 0.006 -0.539) 0.539 12.794 ( 0.000 -4.281 -9.708) 10.610 12.899 ( 0.000 -5.690 -10.433) 11.884 13.066 ( 0.000 12.149 1.701) 12.267 14.005 ( 0.000 33.681 -41.288) 53.283 14.269 ( 0.000 -6.791 4.524) 8.160 14.541 ( 0.000 0.948 2.667) 2.830 14.555 ( 0.000 3.349 -8.417) 9.058 14.607 ( 0.000 3.646 -8.946) 9.660 14.657 ( 0.000 4.229 -5.077) 6.607 15.400 ( 0.000 -2.362 -12.840) 13.056 16.097 ( 0.000 2.719 44.342) 44.425 16.581 ( 0.000 -11.744 -3.241) 12.183 16.881 ( 0.000 -6.223 -13.226) 14.617 17.152 ( 0.000 13.973 -11.666) 18.203 17.367 ( 0.000 -32.017 18.923) 37.191 18.068 ( 0.000 3.879 11.289) 11.937 18.263 ( 0.000 5.268 -18.640) 19.370 18.419 ( 0.000 8.371 -2.185) 8.651 18.972 ( 0.000 -5.774 0.923) 5.848 19.678 ( 0.000 -43.874 51.361) 67.549 19.812 ( 0.000 -11.301 4.453) 12.147 20.263 ( 0.000 -13.255 17.200) 21.715 20.897 ( 0.000 8.133 5.561) 9.852 21.204 ( 0.000 -0.190 3.136) 3.142 21.975 ( 0.000 -1.588 -4.647) 4.911 23.320 ( 0.000 -25.569 -3.293) 25.780 24.112 ( 0.000 -6.330 5.555) 8.422 24.364 ( 0.000 18.290 -7.257) 19.677 24.485 ( 0.000 -2.770 5.683) 6.322 24.817 ( 0.000 22.625 -26.150) 34.579 24.877 ( 0.000 10.783 1.350) 10.867 25.719 ( 0.000 -12.631 -2.167) 12.816 26.027 ( 0.000 -2.767 -8.172) 8.628 26.095 ( 0.000 -3.976 0.666) 4.031 ======================= Grid point 31 (14/60) ======================= q-point: ( 0.33 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 11.645 10.351 21.945) 26.914 1.053 ( 21.784 16.565 10.396) 29.275 1.348 ( -26.514 -1.257 11.476) 28.918 1.613 ( -25.754 11.258 4.226) 28.423 2.089 ( 33.565 19.797 26.553) 47.155 2.495 ( 21.174 -1.822 5.880) 22.050 2.625 ( 5.725 2.739 4.160) 7.588 2.782 ( -5.313 -1.257 1.356) 5.625 2.979 ( -13.806 -3.080 9.168) 16.857 3.095 ( -25.380 9.645 6.658) 27.955 3.157 ( -0.002 -2.458 -1.104) 2.694 3.197 ( -6.359 0.823 -1.425) 6.569 3.257 ( 5.254 1.480 -1.780) 5.742 3.358 ( -1.453 -1.395 0.720) 2.139 3.482 ( 5.140 -4.998 2.785) 7.691 3.617 ( -6.172 -0.072 -0.116) 6.174 3.772 ( 10.385 -4.560 -6.519) 13.083 3.980 ( -6.623 -5.106 -5.600) 10.064 4.244 ( 7.514 11.941 -5.156) 15.022 4.402 ( -0.786 6.571 -3.640) 7.553 4.504 ( 5.361 -2.594 6.524) 8.834 4.667 ( -6.270 -3.828 11.933) 14.013 4.815 ( 9.764 1.011 -5.882) 11.443 4.987 ( -2.746 -1.009 -6.017) 6.691 5.152 ( 7.454 7.199 -5.143) 11.569 5.254 ( 3.014 6.435 -5.528) 9.002 5.331 ( -3.709 5.939 -8.277) 10.841 5.395 ( -5.549 6.906 0.750) 8.891 5.544 ( 5.326 8.232 1.658) 9.944 5.646 ( -3.153 10.163 0.600) 10.658 5.934 ( 4.405 -1.752 -0.828) 4.812 6.014 ( 2.629 -1.900 -0.670) 3.312 6.126 ( -2.038 -1.430 1.318) 2.817 6.192 ( 2.887 -10.299 -4.465) 11.590 6.275 ( -6.467 -3.015 -4.235) 8.298 6.350 ( -6.010 -10.150 -0.725) 11.818 6.612 ( 6.540 1.781 -0.941) 6.844 6.797 ( -7.954 2.746 -0.322) 8.421 6.885 ( 1.284 -6.451 -0.280) 6.583 6.896 ( 0.795 -0.145 1.810) 1.982 6.964 ( 0.698 -5.209 4.047) 6.633 7.011 ( -2.653 -3.738 3.791) 5.948 7.147 ( 5.063 -1.217 -6.809) 8.572 7.239 ( 0.005 -6.564 4.755) 8.105 7.301 ( 3.524 4.181 -8.065) 9.743 7.431 ( -6.257 4.397 -1.570) 7.807 7.583 ( 0.965 3.782 4.539) 5.986 7.634 ( -1.610 2.027 6.881) 7.352 7.795 ( 6.014 5.169 1.034) 7.998 7.966 ( -6.502 4.414 4.647) 9.129 8.026 ( 4.040 -0.870 2.902) 5.050 8.083 ( -1.486 0.780 2.220) 2.783 8.209 ( -1.758 6.427 11.571) 13.352 8.245 ( -2.967 7.043 3.140) 8.263 8.470 ( 3.454 -6.745 9.871) 12.444 8.567 ( -4.160 -7.574 14.286) 16.696 8.904 ( 13.456 -2.250 24.640) 28.165 9.141 ( -2.975 9.142 2.755) 10.001 9.360 ( 0.500 12.388 4.438) 13.168 9.520 ( -10.034 -2.998 14.748) 18.088 9.867 ( -0.250 12.563 -3.624) 13.078 9.925 ( -8.566 9.643 0.886) 12.929 10.263 ( 2.558 -4.056 -2.485) 5.401 10.314 ( -1.133 -6.286 -1.960) 6.681 10.558 ( 7.120 -1.219 -4.137) 8.324 10.755 ( -9.468 -1.806 -3.375) 10.213 11.091 ( 5.346 -5.952 0.951) 8.057 11.185 ( -2.986 -5.287 1.905) 6.364 11.559 ( 0.995 0.153 1.846) 2.102 11.585 ( -1.121 -1.162 1.341) 2.099 12.120 ( 2.106 -3.218 0.717) 3.912 12.177 ( -2.571 -3.340 1.888) 4.619 12.475 ( 1.957 0.785 0.461) 2.159 12.528 ( -2.592 0.970 0.081) 2.768 12.828 ( 2.296 -5.426 -9.875) 11.499 12.876 ( -1.753 -5.744 -9.642) 11.360 13.211 ( 12.705 15.722 -1.146) 20.246 13.626 ( -23.197 26.120 -14.334) 37.760 14.378 ( 6.701 -2.855 -5.398) 9.066 14.504 ( -4.110 1.654 -9.908) 10.854 14.550 ( 0.575 1.378 0.062) 1.494 14.567 ( -0.913 0.974 -1.905) 2.327 14.894 ( 14.762 5.019 -9.598) 18.309 15.235 ( -13.602 0.244 -10.602) 17.248 16.148 ( 5.693 1.368 44.657) 45.039 16.389 ( -14.625 -5.381 31.894) 35.498 16.874 ( 0.188 -5.913 -9.626) 11.299 16.938 ( -7.207 -2.302 4.283) 8.694 17.592 ( 13.358 -9.031 -6.635) 17.436 17.903 ( -13.086 -0.341 -8.612) 15.669 18.216 ( 1.672 11.888 4.979) 12.997 18.383 ( -10.533 14.841 1.294) 18.245 18.880 ( -1.068 -2.708 10.145) 10.555 19.020 ( -12.319 1.406 7.972) 14.741 19.919 ( 7.750 -10.482 7.753) 15.167 20.129 ( -9.681 -11.751 12.763) 19.867 21.007 ( 7.951 1.091 2.393) 8.375 21.170 ( -5.395 -0.584 4.823) 7.260 22.870 ( 34.000 -35.327 -9.346) 49.913 23.260 ( -6.688 -28.888 -4.518) 29.994 24.221 ( 8.500 -5.516 4.487) 11.082 24.382 ( -2.007 9.374 -2.531) 9.914 24.444 ( 0.195 5.572 0.075) 5.576 24.577 ( -9.394 19.563 -9.327) 23.621 25.191 ( 15.513 5.110 -12.245) 20.413 25.522 ( -13.597 -5.079 -6.766) 16.014 26.074 ( 1.889 -4.505 -3.851) 6.220 26.094 ( -0.226 -4.247 -0.478) 4.280 ======================= Grid point 33 (15/60) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.280 ( 0.000 25.691 2.528) 25.815 1.321 ( 0.000 23.629 18.207) 29.830 1.788 ( 0.000 3.392 13.313) 13.738 1.992 ( 0.000 1.921 7.735) 7.970 2.292 ( 0.000 11.160 22.372) 25.001 2.388 ( 0.000 34.002 5.381) 34.426 2.408 ( 0.000 4.638 -7.108) 8.488 2.968 ( 0.000 3.846 -0.632) 3.897 3.004 ( 0.000 -8.437 6.978) 10.949 3.081 ( 0.000 -4.025 -1.819) 4.417 3.120 ( 0.000 -7.086 0.069) 7.087 3.166 ( 0.000 -3.176 9.384) 9.907 3.221 ( 0.000 -11.882 -2.131) 12.072 3.396 ( 0.000 -2.903 -2.395) 3.763 3.444 ( 0.000 8.638 -6.550) 10.840 3.636 ( 0.000 -2.458 -0.293) 2.476 3.991 ( 0.000 1.314 -9.852) 9.940 4.006 ( 0.000 12.302 7.402) 14.358 4.062 ( 0.000 -11.808 9.684) 15.271 4.439 ( 0.000 10.099 -4.028) 10.873 4.534 ( 0.000 2.785 3.858) 4.759 4.787 ( 0.000 5.344 6.391) 8.331 4.801 ( 0.000 -0.570 -5.410) 5.440 4.884 ( 0.000 -9.311 -6.511) 11.362 5.329 ( 0.000 7.471 -4.513) 8.729 5.382 ( 0.000 17.011 3.553) 17.379 5.561 ( 0.000 6.364 -18.778) 19.827 5.583 ( 0.000 4.758 5.980) 7.642 5.618 ( 0.000 8.205 1.054) 8.273 5.898 ( 0.000 -1.303 -10.882) 10.960 5.902 ( 0.000 8.552 -6.933) 11.009 5.918 ( 0.000 -3.095 7.057) 7.706 6.002 ( 0.000 3.485 -1.635) 3.850 6.134 ( 0.000 -2.417 0.286) 2.434 6.247 ( 0.000 -9.621 6.970) 11.880 6.323 ( 0.000 -3.117 -6.073) 6.826 6.498 ( 0.000 -0.518 2.449) 2.503 6.715 ( 0.000 -0.579 1.040) 1.191 6.770 ( 0.000 -7.422 6.257) 9.708 6.790 ( 0.000 -5.972 3.901) 7.133 6.898 ( 0.000 -8.876 8.449) 12.254 7.098 ( 0.000 0.692 8.444) 8.473 7.180 ( 0.000 4.534 -11.104) 11.994 7.192 ( 0.000 1.634 2.081) 2.646 7.318 ( 0.000 6.848 -5.354) 8.692 7.472 ( 0.000 -3.938 -7.852) 8.784 7.596 ( 0.000 -4.535 1.654) 4.827 7.601 ( 0.000 -5.025 7.458) 8.993 7.898 ( 0.000 8.904 -3.226) 9.470 7.933 ( 0.000 -8.168 8.537) 11.815 8.042 ( 0.000 4.822 -0.786) 4.886 8.158 ( 0.000 4.833 13.581) 14.416 8.350 ( 0.000 -0.415 4.994) 5.011 8.437 ( 0.000 6.250 -10.634) 12.335 8.449 ( 0.000 4.081 9.017) 9.897 8.519 ( 0.000 8.119 5.433) 9.769 8.783 ( 0.000 5.429 27.021) 27.561 9.392 ( 0.000 8.347 -5.117) 9.791 9.399 ( 0.000 -7.967 21.857) 23.263 9.695 ( 0.000 11.446 2.154) 11.647 10.124 ( 0.000 4.924 -5.728) 7.554 10.128 ( 0.000 -6.832 -5.339) 8.671 10.199 ( 0.000 16.069 -5.056) 16.846 10.257 ( 0.000 -1.060 -4.019) 4.156 10.395 ( 0.000 -4.075 -2.905) 5.005 10.794 ( 0.000 -5.820 -0.704) 5.863 10.905 ( 0.000 -2.793 -1.902) 3.379 11.087 ( 0.000 -7.413 0.215) 7.417 11.525 ( 0.000 -2.043 -0.856) 2.215 11.648 ( 0.000 4.063 -0.599) 4.107 11.966 ( 0.000 -8.693 2.423) 9.024 12.094 ( 0.000 -6.773 2.630) 7.266 12.418 ( 0.000 -1.700 2.659) 3.156 12.511 ( 0.000 -3.506 1.964) 4.019 12.686 ( 0.000 -5.233 -5.639) 7.693 12.760 ( 0.000 -6.805 -6.821) 9.635 13.370 ( 0.000 13.335 -0.475) 13.343 14.085 ( 0.000 -10.077 3.916) 10.811 14.500 ( 0.000 14.227 -34.286) 37.120 14.570 ( 0.000 1.574 0.349) 1.612 14.614 ( 0.000 3.588 -6.752) 7.646 14.745 ( 0.000 8.259 -23.515) 24.923 14.760 ( 0.000 5.214 -7.712) 9.309 15.321 ( 0.000 -5.007 -17.152) 17.868 16.145 ( 0.000 1.377 35.729) 35.756 16.346 ( 0.000 -9.771 5.342) 11.136 16.691 ( 0.000 -11.230 -8.977) 14.377 16.770 ( 0.000 -22.412 29.368) 36.943 17.468 ( 0.000 15.531 -12.626) 20.015 18.207 ( 0.000 6.466 4.006) 7.607 18.423 ( 0.000 9.471 -17.369) 19.783 18.561 ( 0.000 5.801 6.623) 8.805 18.829 ( 0.000 -3.400 10.669) 11.198 19.284 ( 0.000 -5.979 12.628) 13.972 19.524 ( 0.000 -14.409 5.439) 15.401 19.944 ( 0.000 -16.339 17.726) 24.107 21.059 ( 0.000 6.755 4.878) 8.332 21.209 ( 0.000 0.585 3.076) 3.131 21.959 ( 0.000 0.141 -4.098) 4.100 22.815 ( 0.000 -21.632 -2.039) 21.728 24.006 ( 0.000 -2.891 4.520) 5.366 24.385 ( 0.000 -6.571 3.982) 7.684 24.681 ( 0.000 11.728 -6.047) 13.195 25.054 ( 0.000 4.141 -15.977) 16.505 25.099 ( 0.000 9.229 1.022) 9.286 25.483 ( 0.000 -9.143 1.777) 9.314 25.957 ( 0.000 -3.459 -6.710) 7.549 26.008 ( 0.000 -3.985 -1.620) 4.302 ======================= Grid point 34 (16/60) ======================= q-point: ( 0.33 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.342 24.481 18.241) 30.560 1.452 ( -4.234 16.345 7.944) 18.660 1.503 ( 2.997 18.829 9.225) 21.180 1.902 ( -20.631 14.957 0.092) 25.482 2.268 ( 17.026 -1.362 6.093) 18.135 2.582 ( 3.631 -1.408 10.191) 10.910 2.694 ( -2.070 5.850 11.373) 12.956 2.864 ( 18.937 14.745 -2.669) 24.149 2.916 ( -8.672 -1.907 8.998) 12.642 3.089 ( -0.688 -4.223 -0.695) 4.335 3.098 ( -1.910 -4.799 -3.887) 6.464 3.216 ( 2.354 -4.265 1.508) 5.100 3.308 ( 1.606 0.907 -0.577) 1.933 3.406 ( -8.298 4.240 -1.880) 9.507 3.476 ( -0.107 4.828 5.807) 7.553 3.581 ( 4.469 -2.188 1.200) 5.118 3.775 ( -6.220 8.334 5.196) 11.625 3.916 ( -7.920 -1.227 -8.522) 11.698 4.242 ( 12.056 -11.244 5.616) 17.416 4.501 ( -5.331 -0.917 4.925) 7.316 4.515 ( 2.570 1.470 -1.230) 3.206 4.667 ( -6.819 7.688 -4.522) 11.227 4.839 ( 4.162 0.146 -6.230) 7.494 4.903 ( -0.135 -5.288 -4.809) 7.149 5.377 ( 4.191 10.675 -7.418) 13.658 5.453 ( 3.801 11.556 1.978) 12.325 5.482 ( -3.387 7.854 -10.401) 13.466 5.554 ( -3.894 7.240 3.239) 8.835 5.736 ( 7.785 8.235 -0.699) 11.354 5.860 ( -2.693 7.768 -4.793) 9.516 5.893 ( -0.087 -1.677 -6.515) 6.728 5.943 ( -0.858 -4.695 3.803) 6.103 6.035 ( 2.352 -2.660 -1.073) 3.709 6.114 ( 0.923 -0.703 0.708) 1.359 6.179 ( -3.940 -2.963 4.072) 6.394 6.248 ( -5.257 -0.895 -6.063) 8.074 6.616 ( 7.484 -4.132 3.319) 9.170 6.690 ( -1.134 -3.253 4.139) 5.385 6.726 ( -0.493 -7.507 5.089) 9.083 6.833 ( -6.392 -5.544 4.335) 9.507 6.884 ( 5.026 -2.699 2.929) 6.413 6.998 ( -5.371 1.113 4.557) 7.132 7.192 ( 2.673 3.412 -2.320) 4.916 7.233 ( 0.712 2.883 1.455) 3.307 7.404 ( 3.218 3.639 -6.799) 8.356 7.461 ( -1.429 -3.137 -5.457) 6.455 7.576 ( 0.910 -4.983 5.371) 7.383 7.600 ( -0.756 -3.179 4.832) 5.833 7.878 ( 0.368 -0.215 -0.693) 0.814 7.954 ( -2.776 -1.610 -2.938) 4.351 8.024 ( 1.588 3.285 5.906) 6.942 8.102 ( -3.717 5.140 9.415) 11.353 8.385 ( 4.076 2.579 3.456) 5.934 8.433 ( 1.864 8.488 5.965) 10.541 8.483 ( -2.707 10.980 4.326) 12.108 8.492 ( -1.254 1.505 1.995) 2.797 8.897 ( 9.898 1.535 24.275) 26.261 9.164 ( -12.394 -2.680 19.016) 22.856 9.544 ( 6.236 6.649 -0.547) 9.132 9.663 ( -3.609 8.756 0.382) 9.478 10.108 ( 0.280 1.989 -6.484) 6.788 10.140 ( -1.553 4.016 -6.687) 7.954 10.188 ( 1.085 5.453 -3.102) 6.367 10.224 ( -1.547 1.902 -2.654) 3.613 10.517 ( 8.136 -1.984 -3.282) 8.994 10.698 ( -7.128 -2.982 -2.569) 8.142 10.961 ( 3.766 -5.589 -0.024) 6.739 11.047 ( -3.334 -7.069 0.623) 7.840 11.550 ( 1.991 -1.189 -0.823) 2.461 11.605 ( -2.815 1.381 -0.588) 3.190 12.010 ( 3.045 -7.064 2.075) 7.967 12.070 ( -2.015 -6.573 2.219) 7.225 12.441 ( 1.826 -2.028 2.354) 3.604 12.486 ( -1.887 -2.912 2.061) 4.036 12.705 ( 1.481 -5.717 -5.637) 8.164 12.741 ( -1.492 -6.415 -6.074) 8.960 13.551 ( 15.703 12.954 -3.717) 20.693 13.987 ( -17.649 4.486 -7.024) 19.518 14.354 ( 3.496 3.317 -13.837) 14.652 14.526 ( -6.210 0.640 -4.594) 7.751 14.610 ( -0.197 3.091 -5.532) 6.340 14.621 ( -2.303 4.809 -11.093) 12.308 15.020 ( 11.527 6.573 -16.506) 21.178 15.248 ( -7.601 1.207 -16.319) 18.042 16.121 ( 2.161 -4.500 27.513) 27.962 16.261 ( -7.645 -6.172 20.636) 22.855 16.687 ( 1.837 -11.135 2.918) 11.657 16.749 ( -2.545 -12.731 15.530) 20.242 17.632 ( 12.878 9.629 -14.839) 21.881 17.968 ( -15.721 5.654 -11.685) 20.387 18.484 ( 5.735 12.639 8.118) 16.079 18.627 ( -3.324 8.677 1.785) 9.461 18.828 ( 5.291 -1.379 6.455) 8.460 19.043 ( -12.553 0.229 2.582) 12.817 19.656 ( 8.221 -12.810 9.735) 18.068 19.848 ( -7.815 -13.742 14.466) 21.429 21.057 ( 3.339 3.495 3.066) 5.724 21.166 ( -4.496 0.327 4.026) 6.044 22.356 ( 23.109 -15.216 -3.495) 27.889 22.721 ( -9.262 -21.563 -2.448) 23.595 24.102 ( 7.873 -4.288 4.207) 9.903 24.294 ( -7.555 -6.265 3.926) 10.570 24.736 ( 4.814 11.400 -6.571) 14.011 24.886 ( -8.104 9.931 -8.126) 15.177 25.255 ( 7.431 1.490 -4.296) 8.712 25.408 ( -5.852 -5.008 -0.839) 7.748 25.978 ( 1.401 -4.065 -4.847) 6.479 26.002 ( -0.615 -4.112 -2.509) 4.856 ======================= Grid point 36 (17/60) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.762 ( 0.000 19.083 -1.659) 19.155 1.796 ( 0.000 19.120 10.223) 21.682 2.008 ( 0.000 16.060 10.002) 18.920 2.088 ( 0.000 6.508 11.087) 12.856 2.377 ( 0.000 -3.059 14.179) 14.506 2.533 ( 0.000 7.170 -4.902) 8.685 2.817 ( 0.000 -18.444 4.503) 18.986 2.863 ( 0.000 -5.314 2.071) 5.703 2.929 ( 0.000 3.432 -1.772) 3.863 3.012 ( 0.000 -7.403 -2.531) 7.824 3.037 ( 0.000 7.004 0.977) 7.071 3.113 ( 0.000 8.072 -3.638) 8.854 3.303 ( 0.000 20.861 12.157) 24.145 3.365 ( 0.000 -2.171 -5.018) 5.467 3.535 ( 0.000 -3.338 -5.503) 6.436 3.622 ( 0.000 4.127 -2.166) 4.661 3.840 ( 0.000 -8.003 13.597) 15.777 4.060 ( 0.000 5.015 -4.781) 6.929 4.149 ( 0.000 -2.761 -1.934) 3.371 4.454 ( 0.000 -10.949 -6.379) 12.672 4.561 ( 0.000 2.770 11.548) 11.876 4.717 ( 0.000 -1.489 -0.092) 1.492 4.802 ( 0.000 1.478 1.091) 1.837 4.889 ( 0.000 2.224 -5.301) 5.749 5.507 ( 0.000 9.331 -4.163) 10.218 5.598 ( 0.000 0.137 -0.021) 0.139 5.623 ( 0.000 -0.623 -12.583) 12.599 5.717 ( 0.000 9.856 4.304) 10.755 5.787 ( 0.000 7.266 3.116) 7.906 5.880 ( 0.000 -2.276 -5.006) 5.499 5.935 ( 0.000 4.608 -6.402) 7.887 5.960 ( 0.000 -5.119 -4.732) 6.972 6.026 ( 0.000 1.967 -10.088) 10.278 6.098 ( 0.000 -3.671 4.715) 5.976 6.192 ( 0.000 6.244 1.902) 6.528 6.296 ( 0.000 -0.272 0.314) 0.415 6.449 ( 0.000 -1.670 1.957) 2.573 6.638 ( 0.000 -2.495 8.919) 9.261 6.669 ( 0.000 -4.752 6.827) 8.318 6.697 ( 0.000 -9.678 8.860) 13.121 6.866 ( 0.000 9.686 4.025) 10.489 7.143 ( 0.000 3.097 1.372) 3.387 7.196 ( 0.000 -3.421 -1.325) 3.669 7.208 ( 0.000 -0.125 1.764) 1.769 7.260 ( 0.000 -6.453 -7.895) 10.196 7.411 ( 0.000 -6.662 3.431) 7.493 7.486 ( 0.000 -3.331 11.382) 11.859 7.550 ( 0.000 0.247 -0.700) 0.742 7.878 ( 0.000 3.186 3.292) 4.581 8.047 ( 0.000 2.840 -8.270) 8.744 8.144 ( 0.000 4.855 2.882) 5.646 8.257 ( 0.000 4.538 9.226) 10.282 8.289 ( 0.000 -0.947 2.054) 2.262 8.474 ( 0.000 -1.155 -0.974) 1.511 8.666 ( 0.000 10.184 11.001) 14.991 8.761 ( 0.000 10.225 1.947) 10.408 8.913 ( 0.000 8.096 16.448) 18.332 9.360 ( 0.000 5.145 14.155) 15.061 9.423 ( 0.000 -5.969 -0.126) 5.971 9.848 ( 0.000 -2.280 0.576) 2.352 9.970 ( 0.000 -2.144 -4.840) 5.293 10.189 ( 0.000 -1.182 -5.384) 5.512 10.260 ( 0.000 0.946 -5.424) 5.506 10.306 ( 0.000 -2.536 -0.097) 2.538 10.513 ( 0.000 12.158 -9.697) 15.552 10.753 ( 0.000 2.377 -2.416) 3.389 10.835 ( 0.000 -4.104 -5.611) 6.952 10.941 ( 0.000 -5.657 -1.580) 5.873 11.490 ( 0.000 -0.461 2.081) 2.131 11.721 ( 0.000 2.990 0.773) 3.088 11.746 ( 0.000 -11.043 4.038) 11.758 11.938 ( 0.000 -7.519 2.943) 8.075 12.427 ( 0.000 2.695 0.360) 2.719 12.470 ( 0.000 0.155 0.585) 0.605 12.590 ( 0.000 -3.878 -3.144) 4.992 12.625 ( 0.000 -5.833 -3.373) 6.738 13.574 ( 0.000 6.430 1.170) 6.536 13.867 ( 0.000 -9.812 3.138) 10.302 14.596 ( 0.000 0.732 -1.270) 1.466 14.601 ( 0.000 0.588 -4.141) 4.183 14.793 ( 0.000 8.574 -27.139) 28.461 14.863 ( 0.000 3.959 -12.369) 12.987 14.917 ( 0.000 7.698 -29.122) 30.123 15.201 ( 0.000 -6.035 -24.056) 24.802 16.166 ( 0.000 1.289 25.616) 25.648 16.197 ( 0.000 -3.742 15.079) 15.537 16.404 ( 0.000 -12.653 25.760) 28.700 16.443 ( 0.000 -11.192 -0.012) 11.192 17.791 ( 0.000 14.544 -11.913) 18.800 18.234 ( 0.000 -4.336 -6.352) 7.690 18.635 ( 0.000 9.479 -15.036) 17.775 18.684 ( 0.000 5.441 5.251) 7.561 18.920 ( 0.000 11.300 15.703) 19.346 19.189 ( 0.000 -4.188 1.820) 4.567 19.249 ( 0.000 -10.797 5.929) 12.318 19.588 ( 0.000 -16.960 18.639) 25.200 21.172 ( 0.000 3.838 3.913) 5.481 21.223 ( 0.000 0.564 3.423) 3.469 21.997 ( 0.000 3.926 -2.875) 4.866 22.415 ( 0.000 -16.087 -1.516) 16.159 23.996 ( 0.000 1.839 3.660) 4.096 24.225 ( 0.000 -7.867 2.955) 8.403 24.877 ( 0.000 7.350 -5.070) 8.929 25.083 ( 0.000 -1.139 -9.441) 9.509 25.246 ( 0.000 4.461 0.961) 4.563 25.340 ( 0.000 -4.149 2.462) 4.825 25.899 ( 0.000 -1.693 -5.636) 5.884 25.934 ( 0.000 -2.893 -3.357) 4.432 ======================= Grid point 37 (18/60) ======================= q-point: ( 0.33 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.796 22.266 11.761) 25.193 1.870 ( -6.639 19.983 13.818) 25.186 1.895 ( 10.890 17.426 -1.451) 20.600 2.192 ( -12.864 10.715 2.188) 16.884 2.268 ( 9.193 3.481 4.313) 10.735 2.486 ( -6.467 -3.783 2.729) 7.974 2.729 ( 1.919 -4.849 6.306) 8.183 2.846 ( -4.893 -7.587 4.649) 10.154 2.966 ( 1.101 -4.596 0.634) 4.768 2.981 ( -0.722 -5.052 -0.470) 5.125 3.111 ( 3.939 1.682 0.151) 4.286 3.156 ( 1.315 2.594 -2.133) 3.606 3.361 ( 3.135 -2.954 -3.198) 5.365 3.447 ( -2.228 -0.174 -10.375) 10.613 3.555 ( 8.173 10.184 8.814) 15.755 3.625 ( 3.099 6.289 -1.969) 7.282 3.939 ( -0.456 -2.038 6.771) 7.086 3.977 ( -5.935 4.723 7.604) 10.740 4.081 ( 3.225 1.988 -1.571) 4.101 4.299 ( -10.550 -7.758 3.141) 13.467 4.627 ( 3.016 -1.411 3.925) 5.147 4.685 ( -2.245 -2.860 0.263) 3.645 4.824 ( 2.462 1.905 -4.516) 5.485 4.883 ( -1.617 0.940 -6.502) 6.765 5.564 ( 3.439 6.919 -6.055) 9.817 5.606 ( -0.136 2.470 -6.532) 6.985 5.654 ( 2.316 5.569 -4.176) 7.336 5.699 ( -1.389 6.403 0.897) 6.613 5.774 ( 1.351 -1.649 1.998) 2.922 5.859 ( -3.898 -4.201 -3.495) 6.712 5.925 ( -0.045 4.130 -8.751) 9.677 5.956 ( -2.198 0.261 -6.480) 6.848 6.013 ( 3.108 1.176 0.614) 3.379 6.086 ( -1.271 -1.006 0.153) 1.628 6.257 ( 1.029 7.044 3.873) 8.104 6.258 ( -0.827 2.699 -1.709) 3.300 6.506 ( 4.344 -3.732 2.648) 6.310 6.589 ( -2.417 -3.542 8.215) 9.267 6.660 ( -0.343 -4.039 6.543) 7.697 6.691 ( -1.476 -6.489 6.074) 9.010 6.931 ( 4.952 6.637 4.224) 9.296 7.060 ( -5.837 3.903 3.751) 7.960 7.213 ( 2.598 -1.454 0.414) 3.006 7.253 ( 1.478 -0.934 4.115) 4.470 7.308 ( 1.962 -7.617 -6.757) 10.369 7.370 ( -4.772 -6.668 3.307) 8.841 7.467 ( 4.123 -3.844 3.188) 6.476 7.559 ( -2.426 -1.661 4.613) 5.470 7.885 ( 1.409 3.429 1.432) 3.974 7.972 ( -5.863 1.455 -2.741) 6.634 8.152 ( 3.450 6.428 2.118) 7.596 8.229 ( -2.612 6.320 5.736) 8.926 8.395 ( 5.629 -0.829 0.525) 5.714 8.474 ( -1.135 -1.648 0.234) 2.015 8.686 ( 1.814 10.520 8.053) 13.372 8.737 ( -2.128 10.770 2.895) 11.354 8.971 ( 5.680 5.704 17.296) 19.077 9.158 ( -10.178 2.515 13.643) 17.206 9.592 ( 7.970 -1.954 1.487) 8.340 9.758 ( -6.625 -1.619 0.356) 6.829 10.001 ( 2.817 -4.069 -5.239) 7.207 10.093 ( -5.220 -3.862 -5.358) 8.419 10.317 ( 5.154 3.980 -4.549) 7.943 10.403 ( -0.138 3.016 -2.552) 3.953 10.539 ( 5.261 6.528 -7.748) 11.416 10.680 ( -5.399 2.282 -4.471) 7.372 10.865 ( 1.955 -3.582 -2.595) 4.836 10.916 ( -2.189 -4.887 -1.104) 5.468 11.518 ( 2.552 -1.141 1.321) 3.092 11.603 ( -4.985 -1.755 1.489) 5.491 11.851 ( 3.977 -6.589 2.977) 8.252 11.915 ( -1.943 -7.371 2.942) 8.171 12.440 ( 0.907 2.073 0.284) 2.281 12.459 ( -0.755 0.772 0.411) 1.155 12.600 ( 0.759 -4.236 -2.750) 5.107 12.617 ( -0.682 -5.176 -2.739) 5.896 13.717 ( 11.679 3.695 -1.519) 12.344 13.921 ( -0.728 -6.180 0.721) 6.264 14.456 ( -5.917 3.583 -10.838) 12.857 14.537 ( -6.703 0.351 -3.255) 7.460 14.689 ( -0.823 3.863 -13.362) 13.933 14.729 ( -4.919 4.573 -16.765) 18.060 15.159 ( 10.257 6.298 -22.687) 25.682 15.282 ( 1.205 1.351 -25.823) 25.886 16.006 ( -2.388 -4.484 19.487) 20.138 16.121 ( -9.261 -7.155 14.938) 18.977 16.465 ( 4.654 -8.007 18.620) 20.796 16.506 ( 1.189 -9.159 15.703) 18.218 17.869 ( 6.891 11.072 -13.840) 19.016 18.077 ( -10.525 2.986 -11.967) 16.215 18.701 ( 4.068 7.120 2.212) 8.493 18.753 ( 3.032 2.662 -5.391) 6.734 18.885 ( -0.022 7.832 13.918) 15.970 19.017 ( -8.458 -2.550 -0.332) 8.840 19.426 ( 8.462 -8.107 10.794) 15.932 19.566 ( -3.296 -12.537 15.818) 20.451 21.137 ( -0.500 3.461 2.872) 4.525 21.180 ( -3.219 0.819 3.217) 4.624 22.157 ( 10.629 -4.408 -2.037) 11.686 22.352 ( -5.842 -13.334 -1.522) 14.637 24.052 ( 4.613 -0.462 3.512) 5.816 24.167 ( -4.692 -5.351 3.166) 7.789 24.912 ( 3.132 5.717 -5.497) 8.527 25.009 ( -4.973 2.064 -7.061) 8.880 25.284 ( 2.416 1.321 0.261) 2.766 25.328 ( -1.264 -2.321 1.285) 2.939 25.912 ( 0.932 -2.074 -5.091) 5.576 25.929 ( -0.493 -2.630 -3.960) 4.780 ======================= Grid point 39 (19/60) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 -1.295 1.118) 1.711 2.017 ( 0.000 1.295 1.118) 1.711 2.228 ( 0.000 -5.993 9.837) 11.519 2.228 ( 0.000 5.993 9.837) 11.519 2.405 ( 0.000 -18.541 8.587) 20.433 2.405 ( 0.000 18.541 8.587) 20.433 2.706 ( 0.000 -8.553 0.746) 8.586 2.706 ( 0.000 8.553 0.746) 8.586 2.913 ( 0.000 -0.873 -0.216) 0.899 2.913 ( 0.000 0.873 -0.216) 0.899 3.216 ( 0.000 -6.024 1.402) 6.185 3.216 ( 0.000 6.024 1.402) 6.185 3.354 ( 0.000 -8.126 -10.853) 13.558 3.354 ( 0.000 8.126 -10.853) 13.558 3.712 ( 0.000 -6.447 9.165) 11.206 3.712 ( 0.000 6.447 9.165) 11.206 3.867 ( 0.000 -20.497 -2.505) 20.650 3.867 ( 0.000 20.497 -2.505) 20.650 4.195 ( 0.000 -9.486 -2.750) 9.877 4.195 ( 0.000 9.486 -2.750) 9.877 4.675 ( 0.000 -5.203 14.092) 15.022 4.675 ( 0.000 5.203 14.092) 15.022 4.865 ( 0.000 -3.031 -9.086) 9.579 4.865 ( 0.000 3.031 -9.086) 9.579 5.582 ( 0.000 -0.100 -2.998) 2.999 5.582 ( 0.000 0.100 -2.998) 2.999 5.730 ( 0.000 -9.509 -3.341) 10.079 5.730 ( 0.000 9.509 -3.341) 10.079 5.842 ( 0.000 -1.931 -5.755) 6.071 5.842 ( 0.000 1.931 -5.755) 6.071 5.982 ( 0.000 -3.318 4.325) 5.451 5.982 ( 0.000 3.318 4.325) 5.451 6.044 ( 0.000 -0.376 -10.086) 10.093 6.044 ( 0.000 0.376 -10.086) 10.093 6.282 ( 0.000 -1.770 1.474) 2.303 6.282 ( 0.000 1.770 1.474) 2.303 6.505 ( 0.000 -7.063 6.981) 9.931 6.505 ( 0.000 7.063 6.981) 9.931 6.619 ( 0.000 -0.071 7.673) 7.674 6.619 ( 0.000 0.071 7.673) 7.674 7.064 ( 0.000 -8.112 3.046) 8.666 7.064 ( 0.000 8.112 3.046) 8.666 7.179 ( 0.000 -0.863 -4.897) 4.972 7.179 ( 0.000 0.863 -4.897) 4.972 7.263 ( 0.000 -6.130 3.631) 7.125 7.263 ( 0.000 6.130 3.631) 7.125 7.499 ( 0.000 -2.715 10.684) 11.024 7.499 ( 0.000 2.715 10.684) 11.024 8.001 ( 0.000 -5.779 -6.216) 8.488 8.001 ( 0.000 5.779 -6.216) 8.488 8.236 ( 0.000 -2.451 3.110) 3.960 8.236 ( 0.000 2.451 3.110) 3.960 8.392 ( 0.000 -5.797 3.518) 6.781 8.392 ( 0.000 5.797 3.518) 6.781 8.820 ( 0.000 -3.547 11.384) 11.924 8.820 ( 0.000 3.547 11.384) 11.924 9.182 ( 0.000 -14.736 2.601) 14.964 9.182 ( 0.000 14.736 2.601) 14.964 9.593 ( 0.000 -14.625 3.716) 15.090 9.593 ( 0.000 14.625 3.716) 15.090 10.083 ( 0.000 -6.894 -2.749) 7.422 10.083 ( 0.000 6.894 -2.749) 7.422 10.280 ( 0.000 -0.369 -2.203) 2.234 10.280 ( 0.000 0.369 -2.203) 2.234 10.716 ( 0.000 -7.194 -9.829) 12.180 10.716 ( 0.000 7.194 -9.829) 12.180 10.843 ( 0.000 -4.517 -3.258) 5.570 10.843 ( 0.000 4.517 -3.258) 5.570 11.548 ( 0.000 -6.478 4.348) 7.801 11.548 ( 0.000 6.478 4.348) 7.801 11.800 ( 0.000 -5.045 2.707) 5.725 11.800 ( 0.000 5.045 2.707) 5.725 12.510 ( 0.000 -4.110 -1.595) 4.409 12.510 ( 0.000 4.110 -1.595) 4.409 12.516 ( 0.000 -4.018 -1.385) 4.250 12.516 ( 0.000 4.018 -1.385) 4.250 13.695 ( 0.000 -6.128 2.577) 6.647 13.695 ( 0.000 6.128 2.577) 6.647 14.603 ( 0.000 -0.027 -2.430) 2.430 14.603 ( 0.000 0.027 -2.430) 2.430 14.898 ( 0.000 -0.442 -19.974) 19.979 14.898 ( 0.000 0.442 -19.974) 19.979 15.068 ( 0.000 -6.307 -28.920) 29.600 15.068 ( 0.000 6.307 -28.920) 29.600 16.194 ( 0.000 -1.481 21.179) 21.231 16.194 ( 0.000 1.481 21.179) 21.231 16.266 ( 0.000 -3.178 13.663) 14.027 16.266 ( 0.000 3.178 13.663) 14.027 18.064 ( 0.000 -10.916 -9.938) 14.762 18.064 ( 0.000 10.916 -9.938) 14.762 18.757 ( 0.000 -0.352 -6.852) 6.861 18.757 ( 0.000 0.352 -6.852) 6.861 19.114 ( 0.000 -0.469 2.499) 2.543 19.114 ( 0.000 0.469 2.499) 2.543 19.238 ( 0.000 -15.186 19.318) 24.573 19.238 ( 0.000 15.186 19.318) 24.573 21.222 ( 0.000 -0.986 3.536) 3.671 21.222 ( 0.000 0.986 3.536) 3.671 22.140 ( 0.000 -9.812 -1.840) 9.983 22.140 ( 0.000 9.812 -1.840) 9.983 24.077 ( 0.000 -5.687 3.072) 6.463 24.077 ( 0.000 5.687 3.072) 6.463 25.009 ( 0.000 -5.216 -5.879) 7.860 25.009 ( 0.000 5.216 -5.879) 7.860 25.297 ( 0.000 -1.046 1.480) 1.812 25.297 ( 0.000 1.046 1.480) 1.812 25.892 ( 0.000 -0.950 -4.632) 4.729 25.892 ( 0.000 0.950 -4.632) 4.729 ======================= Grid point 41 (20/60) ======================= q-point: ( 0.33 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 1.252 0.000 4.401) 4.576 2.048 ( 0.284 0.000 4.125) 4.135 2.251 ( 5.622 0.000 5.661) 7.979 2.343 ( 4.577 -0.000 9.457) 10.507 2.395 ( -0.956 0.000 7.760) 7.819 2.406 ( 0.464 -0.000 8.698) 8.710 2.586 ( -5.121 0.000 -3.692) 6.313 2.646 ( -6.594 0.000 0.606) 6.621 2.909 ( 0.073 0.000 2.093) 2.095 2.915 ( -0.277 0.000 -0.004) 0.277 3.218 ( 2.156 0.000 -0.295) 2.176 3.224 ( 0.567 -0.000 -4.767) 4.800 3.289 ( -4.702 0.000 -3.820) 6.058 3.293 ( -3.619 -0.000 -8.876) 9.586 3.737 ( 4.462 -0.000 4.681) 6.467 3.823 ( -0.822 -0.000 -4.020) 4.103 3.864 ( 5.809 0.000 7.602) 9.567 3.939 ( 1.579 0.000 10.176) 10.297 4.176 ( -0.744 0.001 -2.099) 2.227 4.177 ( -1.461 -0.001 -3.865) 4.131 4.604 ( -0.494 0.000 9.033) 9.047 4.680 ( -5.578 0.000 2.909) 6.291 4.819 ( 3.830 0.000 0.066) 3.831 4.904 ( -1.929 0.000 -3.663) 4.140 5.626 ( 3.343 0.000 -7.924) 8.601 5.630 ( 4.459 -0.000 -1.120) 4.598 5.718 ( -1.734 -0.000 0.313) 1.762 5.719 ( -2.870 0.000 -9.348) 9.778 5.801 ( -1.890 0.000 -3.629) 4.092 5.805 ( -1.345 -0.000 -2.565) 2.896 5.969 ( -0.329 0.000 -6.338) 6.347 5.979 ( -0.830 0.000 -5.468) 5.530 6.008 ( 0.985 0.000 -4.568) 4.673 6.068 ( -1.814 0.000 -0.775) 1.973 6.340 ( 4.469 -0.000 0.439) 4.490 6.347 ( 3.983 0.000 5.401) 6.710 6.483 ( -0.925 0.000 3.068) 3.204 6.518 ( -3.966 -0.000 6.094) 7.271 6.580 ( 2.944 0.000 9.422) 9.871 6.636 ( -1.292 0.000 6.435) 6.563 7.054 ( 1.347 0.000 1.881) 2.314 7.096 ( -0.948 -0.000 3.459) 3.587 7.169 ( 1.992 0.000 -0.803) 2.147 7.204 ( 1.132 0.000 -3.642) 3.814 7.267 ( -1.231 0.000 3.873) 4.064 7.272 ( -2.438 -0.000 7.295) 7.691 7.418 ( 2.748 0.000 5.248) 5.924 7.525 ( -2.960 0.000 8.764) 9.250 7.968 ( -2.215 0.000 -2.750) 3.531 7.968 ( -1.613 -0.000 -0.869) 1.832 8.233 ( 4.242 0.000 -2.021) 4.699 8.329 ( -3.059 0.000 -0.639) 3.125 8.371 ( 4.403 0.000 3.956) 5.919 8.422 ( -0.051 0.000 5.675) 5.675 8.831 ( 0.757 0.000 9.164) 9.195 8.833 ( 0.724 -0.000 9.063) 9.092 9.133 ( -1.458 -0.000 6.664) 6.821 9.157 ( -2.740 0.000 5.465) 6.113 9.603 ( 1.231 0.000 2.436) 2.729 9.615 ( 0.511 -0.000 1.779) 1.851 10.011 ( -2.635 0.000 -2.806) 3.849 10.017 ( -3.242 -0.000 -2.847) 4.315 10.348 ( 5.763 0.000 -4.204) 7.133 10.410 ( 3.045 0.000 -0.944) 3.187 10.658 ( 0.315 -0.000 -10.480) 10.485 10.728 ( -2.366 -0.000 -7.383) 7.753 10.835 ( -0.351 -0.000 -3.120) 3.139 10.837 ( -0.726 0.000 -2.747) 2.841 11.523 ( 0.414 0.000 2.610) 2.643 11.555 ( -1.384 0.000 3.835) 4.077 11.793 ( 0.475 -0.000 2.769) 2.810 11.808 ( -0.401 0.000 3.606) 3.628 12.497 ( -0.303 0.000 -1.747) 1.773 12.498 ( -0.319 0.000 -1.936) 1.962 12.528 ( 0.734 -0.000 -0.769) 1.063 12.535 ( 0.276 -0.000 -0.469) 0.544 13.757 ( 7.431 0.000 -1.139) 7.518 13.833 ( 4.538 0.000 1.745) 4.861 14.491 ( -5.822 0.000 -7.190) 9.252 14.541 ( -6.343 0.000 -2.821) 6.942 14.737 ( -1.723 0.000 -16.508) 16.598 14.782 ( -5.829 0.000 -18.338) 19.242 15.263 ( 9.101 -0.000 -28.896) 30.295 15.272 ( 7.691 0.000 -28.798) 29.807 15.988 ( -7.888 0.000 16.496) 18.285 15.996 ( -8.762 0.000 18.074) 20.086 16.389 ( 3.902 0.000 19.733) 20.115 16.393 ( 3.372 -0.000 20.437) 20.714 18.051 ( -0.611 -0.000 -12.542) 12.557 18.054 ( -0.730 0.000 -12.068) 12.090 18.778 ( 1.962 0.000 -2.221) 2.964 18.787 ( 1.574 0.000 -9.893) 10.018 18.972 ( -3.202 0.000 2.976) 4.371 19.017 ( -6.648 0.000 14.337) 15.804 19.355 ( 6.066 -0.000 12.555) 13.944 19.376 ( 3.930 0.000 15.810) 16.291 21.182 ( -1.921 -0.000 2.843) 3.431 21.186 ( -2.125 0.000 2.738) 3.466 22.156 ( 1.253 0.000 -1.658) 2.078 22.164 ( 0.819 -0.000 -1.175) 1.433 24.077 ( 0.130 -0.000 3.077) 3.080 24.080 ( 0.001 0.000 3.191) 3.191 24.991 ( -0.300 0.000 -5.821) 5.829 25.003 ( -0.993 -0.000 -5.453) 5.543 25.301 ( 0.497 0.000 1.329) 1.419 25.306 ( 0.170 0.000 1.410) 1.420 25.893 ( 0.314 0.000 -4.878) 4.888 25.897 ( 0.076 0.000 -4.694) 4.695 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 0.000 29.603) 29.603 1.338 ( 0.000 0.000 33.333) 33.333 1.740 ( 0.000 0.000 18.355) 18.355 1.931 ( 0.000 0.000 -13.059) 13.059 2.294 ( 0.000 0.000 11.992) 11.992 2.325 ( 0.000 0.000 24.979) 24.979 2.396 ( 0.000 0.000 22.322) 22.322 2.945 ( 0.000 0.000 3.364) 3.364 3.107 ( 0.000 0.000 9.931) 9.931 3.117 ( 0.000 0.000 -8.443) 8.443 3.124 ( 0.000 0.000 -12.071) 12.071 3.373 ( 0.000 0.000 -5.527) 5.527 3.398 ( 0.000 0.000 -5.206) 5.206 3.399 ( 0.000 0.000 -4.087) 4.087 3.502 ( 0.000 0.000 14.116) 14.116 3.606 ( 0.000 0.000 -9.012) 9.012 3.841 ( 0.000 0.000 10.512) 10.512 4.070 ( 0.000 0.000 7.675) 7.675 4.204 ( 0.000 0.000 17.967) 17.967 4.432 ( 0.000 0.000 -14.570) 14.570 4.487 ( 0.000 0.000 -10.794) 10.794 4.578 ( 0.000 0.000 18.837) 18.837 4.768 ( 0.000 0.000 -23.102) 23.102 4.859 ( 0.000 0.000 5.296) 5.296 4.991 ( 0.000 0.000 -8.905) 8.905 5.101 ( 0.000 0.000 -0.681) 0.681 5.189 ( 0.000 0.000 21.904) 21.904 5.401 ( 0.000 0.000 -2.085) 2.085 5.464 ( 0.000 0.000 5.059) 5.059 5.692 ( 0.000 0.000 7.170) 7.170 5.758 ( 0.000 0.000 -7.346) 7.346 6.085 ( 0.000 0.000 1.299) 1.299 6.161 ( 0.000 0.000 -12.178) 12.178 6.204 ( 0.000 0.000 5.945) 5.945 6.360 ( 0.000 0.000 4.091) 4.091 6.520 ( 0.000 0.000 4.618) 4.618 6.560 ( 0.000 0.000 -10.859) 10.859 6.663 ( 0.000 0.000 -7.851) 7.851 6.735 ( 0.000 0.000 -5.180) 5.180 6.811 ( 0.000 0.000 3.740) 3.740 6.961 ( 0.000 0.000 -1.067) 1.067 6.995 ( 0.000 0.000 -5.118) 5.118 7.116 ( 0.000 0.000 -11.241) 11.241 7.170 ( 0.000 0.000 -3.235) 3.235 7.465 ( 0.000 0.000 -2.544) 2.544 7.564 ( 0.000 0.000 -0.600) 0.600 7.593 ( 0.000 0.000 11.173) 11.173 7.651 ( 0.000 0.000 9.613) 9.613 7.779 ( 0.000 0.000 3.851) 3.851 7.904 ( 0.000 0.000 2.806) 2.806 8.085 ( 0.000 0.000 9.667) 9.667 8.165 ( 0.000 0.000 4.494) 4.494 8.416 ( 0.000 0.000 4.021) 4.021 8.543 ( 0.000 0.000 7.183) 7.183 8.671 ( 0.000 0.000 13.444) 13.444 8.715 ( 0.000 0.000 -5.239) 5.239 9.023 ( 0.000 0.000 -0.113) 0.113 9.183 ( 0.000 0.000 10.271) 10.271 9.484 ( 0.000 0.000 34.831) 34.831 9.551 ( 0.000 0.000 -7.622) 7.622 9.620 ( 0.000 0.000 -7.044) 7.044 10.222 ( 0.000 0.000 -2.509) 2.509 10.266 ( 0.000 0.000 -20.920) 20.920 10.272 ( 0.000 0.000 -12.659) 12.659 10.328 ( 0.000 0.000 -0.338) 0.338 10.880 ( 0.000 0.000 -7.750) 7.750 10.931 ( 0.000 0.000 -7.413) 7.413 11.308 ( 0.000 0.000 -0.418) 0.418 11.732 ( 0.000 0.000 6.183) 6.183 11.832 ( 0.000 0.000 5.534) 5.534 12.182 ( 0.000 0.000 4.874) 4.874 12.267 ( 0.000 0.000 -6.842) 6.842 12.305 ( 0.000 0.000 2.170) 2.170 12.362 ( 0.000 0.000 -5.378) 5.378 12.533 ( 0.000 0.000 -17.634) 17.634 12.715 ( 0.000 0.000 -12.749) 12.749 13.092 ( 0.000 0.000 9.541) 9.541 13.533 ( 0.000 0.000 9.509) 9.509 14.330 ( 0.000 0.000 -6.719) 6.719 14.434 ( 0.000 0.000 3.600) 3.600 14.491 ( 0.000 0.000 -6.550) 6.550 14.514 ( 0.000 0.000 -3.740) 3.740 14.624 ( 0.000 0.000 4.448) 4.448 15.119 ( 0.000 0.000 -18.250) 18.250 16.568 ( 0.000 0.000 -12.527) 12.527 16.623 ( 0.000 0.000 -17.089) 17.089 16.730 ( 0.000 0.000 -10.347) 10.347 17.087 ( 0.000 0.000 51.875) 51.875 17.748 ( 0.000 0.000 -26.154) 26.154 17.753 ( 0.000 0.000 -0.995) 0.995 18.175 ( 0.000 0.000 -0.901) 0.901 18.192 ( 0.000 0.000 2.345) 2.345 18.972 ( 0.000 0.000 -1.311) 1.311 20.086 ( 0.000 0.000 10.259) 10.259 20.742 ( 0.000 0.000 -6.742) 6.742 20.847 ( 0.000 0.000 22.123) 22.123 20.860 ( 0.000 0.000 3.745) 3.745 21.387 ( 0.000 0.000 7.028) 7.028 21.879 ( 0.000 0.000 -9.437) 9.437 23.611 ( 0.000 0.000 -22.327) 22.327 23.825 ( 0.000 0.000 3.396) 3.396 24.265 ( 0.000 0.000 6.275) 6.275 24.406 ( 0.000 0.000 10.633) 10.633 24.694 ( 0.000 0.000 11.092) 11.092 24.722 ( 0.000 0.000 -2.223) 2.223 25.650 ( 0.000 0.000 -14.076) 14.076 25.839 ( 0.000 0.000 -12.765) 12.765 26.098 ( 0.000 0.000 -5.766) 5.766 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.183 ( 0.892 0.000 27.582) 27.596 1.406 ( 15.060 0.000 26.245) 30.259 1.467 ( -20.408 0.000 8.969) 22.292 1.836 ( -21.990 0.000 20.903) 30.340 2.348 ( 30.807 0.000 8.284) 31.902 2.601 ( 13.690 0.000 11.542) 17.906 2.796 ( 16.951 0.000 10.670) 20.029 2.830 ( -8.111 0.000 0.180) 8.113 3.044 ( -24.453 0.000 -3.380) 24.686 3.053 ( -4.699 0.000 -7.469) 8.824 3.143 ( -0.235 0.000 -5.042) 5.048 3.205 ( -8.251 0.000 5.088) 9.694 3.286 ( 13.055 0.000 14.815) 19.746 3.432 ( 3.970 0.000 -6.217) 7.376 3.526 ( -2.937 0.000 2.055) 3.585 3.603 ( -10.533 0.000 15.694) 18.901 3.934 ( 2.925 0.000 -1.334) 3.215 3.986 ( 11.734 0.000 9.951) 15.385 4.117 ( -9.532 0.000 -1.737) 9.689 4.273 ( -12.660 0.000 6.355) 14.165 4.623 ( 11.802 0.000 -7.503) 13.985 4.686 ( 4.775 0.000 -9.596) 10.718 4.770 ( -1.850 0.000 -19.578) 19.665 4.821 ( -5.145 0.000 -2.497) 5.719 5.037 ( 4.669 0.000 5.035) 6.866 5.147 ( -3.863 0.000 17.403) 17.826 5.180 ( 6.212 0.000 1.042) 6.299 5.322 ( -5.812 0.000 -0.741) 5.859 5.523 ( 4.725 0.000 4.080) 6.243 5.636 ( -4.522 0.000 4.894) 6.663 5.861 ( 8.652 0.000 -5.410) 10.204 6.107 ( -11.194 0.000 0.188) 11.196 6.135 ( 3.444 0.000 0.524) 3.484 6.213 ( -4.140 0.000 0.942) 4.246 6.236 ( 6.756 0.000 -8.659) 10.983 6.449 ( -11.386 0.000 -5.648) 12.710 6.533 ( 5.689 0.000 3.593) 6.729 6.677 ( -5.228 0.000 1.714) 5.502 6.878 ( 6.886 0.000 -10.665) 12.695 6.905 ( 13.679 0.000 2.007) 13.826 6.991 ( -1.154 0.000 -7.485) 7.573 7.036 ( 2.729 0.000 -2.490) 3.694 7.082 ( -1.375 0.000 -5.419) 5.591 7.153 ( -5.011 0.000 -1.047) 5.119 7.446 ( -0.361 0.000 0.370) 0.517 7.505 ( -5.177 0.000 4.209) 6.672 7.530 ( -1.767 0.000 0.862) 1.966 7.560 ( -4.663 0.000 6.574) 8.060 7.830 ( 6.193 0.000 2.770) 6.784 7.964 ( -1.831 0.000 2.519) 3.114 8.158 ( 3.677 0.000 8.369) 9.141 8.218 ( 8.677 0.000 10.567) 13.673 8.342 ( -10.477 0.000 8.971) 13.793 8.376 ( -4.414 0.000 7.691) 8.868 8.779 ( 5.706 0.000 -6.095) 8.349 8.875 ( 10.688 0.000 11.755) 15.887 8.935 ( -6.876 0.000 -2.882) 7.456 9.082 ( -7.488 0.000 12.765) 14.799 9.570 ( 1.517 0.000 -7.389) 7.543 9.605 ( -1.285 0.000 -7.049) 7.165 9.657 ( 13.667 0.000 23.865) 27.502 10.025 ( -16.851 0.000 0.386) 16.856 10.260 ( 2.986 0.000 -3.198) 4.376 10.325 ( -2.079 0.000 -4.811) 5.241 10.380 ( 8.963 0.000 -11.684) 14.726 10.630 ( -12.446 0.000 -9.873) 15.887 11.128 ( 8.021 0.000 -4.654) 9.273 11.263 ( -4.015 0.000 -1.719) 4.368 11.736 ( 0.667 0.000 7.238) 7.269 11.779 ( -3.172 0.000 8.005) 8.611 12.179 ( 0.452 0.000 2.295) 2.339 12.216 ( -2.652 0.000 -1.417) 3.007 12.349 ( 2.020 0.000 -2.175) 2.968 12.372 ( 0.080 0.000 -3.823) 3.823 12.585 ( 3.972 0.000 -16.729) 17.194 12.675 ( -3.373 0.000 -14.232) 14.627 13.177 ( 7.378 0.000 9.609) 12.115 13.388 ( -10.177 0.000 9.547) 13.954 14.331 ( 0.454 0.000 -5.270) 5.290 14.369 ( -3.112 0.000 -1.451) 3.434 14.567 ( 2.670 0.000 0.730) 2.768 14.611 ( -1.214 0.000 3.362) 3.575 14.684 ( 14.071 0.000 -9.085) 16.749 14.988 ( -11.057 0.000 -14.961) 18.604 16.639 ( 1.498 0.000 -15.520) 15.592 16.690 ( -2.781 0.000 -12.146) 12.461 16.692 ( 10.461 0.000 -5.735) 11.930 16.962 ( -10.948 0.000 19.696) 22.534 17.865 ( 8.753 0.000 -1.342) 8.855 17.879 ( 13.360 0.000 7.676) 15.409 18.073 ( -8.274 0.000 -1.248) 8.367 18.179 ( -6.053 0.000 6.968) 9.230 18.993 ( 4.765 0.000 5.184) 7.041 19.529 ( -52.663 0.000 30.277) 60.746 20.204 ( 9.752 0.000 9.646) 13.717 20.476 ( -13.596 0.000 7.151) 15.362 21.088 ( 11.537 0.000 8.739) 14.473 21.304 ( -7.168 0.000 7.199) 10.159 22.949 ( 40.657 0.000 -31.703) 51.557 23.489 ( -11.995 0.000 -25.834) 28.483 23.906 ( 6.794 0.000 4.182) 7.978 24.098 ( -9.621 0.000 5.845) 11.257 24.537 ( 6.641 0.000 10.492) 12.418 24.654 ( -3.581 0.000 10.951) 11.521 24.909 ( 15.713 0.000 -6.986) 17.196 25.330 ( -19.519 0.000 -12.915) 23.404 25.994 ( 6.106 0.000 -10.081) 11.786 26.079 ( -1.938 0.000 -6.858) 7.126 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.272 ( 0.000 6.458 29.171) 29.877 1.453 ( 0.000 10.285 30.791) 32.463 1.950 ( 0.000 3.306 -8.656) 9.266 1.953 ( 0.000 16.498 7.469) 18.110 2.195 ( 0.000 -5.881 21.137) 21.940 2.333 ( 0.000 2.523 10.420) 10.721 2.575 ( 0.000 10.896 25.859) 28.061 2.947 ( 0.000 0.184 2.200) 2.208 3.068 ( 0.000 -3.792 -9.899) 10.601 3.088 ( 0.000 -2.435 -7.942) 8.307 3.189 ( 0.000 6.628 9.105) 11.262 3.282 ( 0.000 -3.027 -1.848) 3.547 3.351 ( 0.000 -4.090 -2.947) 5.041 3.456 ( 0.000 -4.924 13.232) 14.119 3.546 ( 0.000 7.416 -5.514) 9.241 3.602 ( 0.000 -5.718 -3.110) 6.509 3.810 ( 0.000 4.892 4.549) 6.680 4.007 ( 0.000 -4.664 8.359) 9.572 4.303 ( 0.000 2.876 8.419) 8.896 4.383 ( 0.000 -0.983 -5.278) 5.368 4.536 ( 0.000 -1.758 12.014) 12.142 4.573 ( 0.000 6.484 -10.872) 12.658 4.794 ( 0.000 -0.942 -8.967) 9.016 4.913 ( 0.000 1.210 -21.715) 21.748 4.944 ( 0.000 4.867 8.085) 9.437 5.219 ( 0.000 6.027 -1.371) 6.181 5.237 ( 0.000 6.209 14.527) 15.799 5.456 ( 0.000 5.761 1.408) 5.930 5.592 ( 0.000 8.654 2.794) 9.094 5.735 ( 0.000 -2.130 -8.695) 8.952 5.741 ( 0.000 4.068 5.160) 6.571 6.048 ( 0.000 -2.452 4.813) 5.401 6.121 ( 0.000 -3.057 -5.153) 5.992 6.180 ( 0.000 -0.799 4.368) 4.441 6.268 ( 0.000 -5.539 1.018) 5.632 6.534 ( 0.000 1.638 4.602) 4.884 6.547 ( 0.000 -7.999 0.745) 8.033 6.679 ( 0.000 8.479 -11.307) 14.133 6.797 ( 0.000 -1.324 -4.889) 5.065 6.852 ( 0.000 1.052 -9.978) 10.033 6.893 ( 0.000 -0.484 0.929) 1.048 7.063 ( 0.000 3.503 -1.336) 3.750 7.071 ( 0.000 -0.367 -4.431) 4.446 7.144 ( 0.000 -2.570 -0.818) 2.697 7.297 ( 0.000 -7.288 -2.592) 7.735 7.608 ( 0.000 -3.192 9.633) 10.148 7.632 ( 0.000 2.556 3.143) 4.051 7.754 ( 0.000 0.187 4.917) 4.920 7.760 ( 0.000 7.151 2.548) 7.591 8.063 ( 0.000 11.708 -1.161) 11.765 8.128 ( 0.000 -2.326 6.994) 7.371 8.145 ( 0.000 0.926 4.281) 4.380 8.291 ( 0.000 -2.405 5.609) 6.103 8.488 ( 0.000 -1.334 10.270) 10.356 8.660 ( 0.000 -0.471 12.220) 12.229 8.785 ( 0.000 -12.535 7.997) 14.869 8.974 ( 0.000 15.465 -6.415) 16.743 9.367 ( 0.000 -5.690 23.988) 24.653 9.438 ( 0.000 14.354 2.210) 14.523 9.611 ( 0.000 4.347 -5.836) 7.277 9.801 ( 0.000 11.349 -1.271) 11.420 10.100 ( 0.000 -7.930 -9.061) 12.041 10.177 ( 0.000 -4.396 -2.245) 4.936 10.270 ( 0.000 -4.659 -2.310) 5.200 10.330 ( 0.000 0.195 -11.481) 11.482 10.868 ( 0.000 -1.383 -7.242) 7.372 10.893 ( 0.000 -4.027 -5.085) 6.487 11.236 ( 0.000 -6.441 -1.628) 6.643 11.613 ( 0.000 -7.086 4.216) 8.245 11.669 ( 0.000 -6.093 5.417) 8.153 12.155 ( 0.000 -2.650 5.243) 5.874 12.262 ( 0.000 -3.876 1.948) 4.338 12.414 ( 0.000 7.180 -4.343) 8.391 12.526 ( 0.000 6.523 -3.975) 7.638 12.549 ( 0.000 0.986 -13.805) 13.840 12.685 ( 0.000 -2.583 -10.268) 10.587 13.155 ( 0.000 7.073 7.589) 10.374 13.634 ( 0.000 10.158 -3.882) 10.875 14.351 ( 0.000 -6.793 3.010) 7.430 14.362 ( 0.000 2.596 -7.556) 7.990 14.521 ( 0.000 1.565 -7.820) 7.976 14.523 ( 0.000 0.783 -4.310) 4.381 14.597 ( 0.000 -1.960 2.219) 2.961 15.079 ( 0.000 -4.059 -18.668) 19.104 16.480 ( 0.000 -4.455 -7.498) 8.722 16.591 ( 0.000 -3.724 -14.240) 14.719 16.882 ( 0.000 11.565 -14.330) 18.414 16.999 ( 0.000 -7.362 43.348) 43.969 17.507 ( 0.000 -18.770 2.660) 18.958 17.813 ( 0.000 6.085 -25.744) 26.453 18.163 ( 0.000 2.474 0.354) 2.499 18.421 ( 0.000 12.503 2.080) 12.674 18.968 ( 0.000 0.261 1.938) 1.956 19.976 ( 0.000 -9.526 11.830) 15.189 20.346 ( 0.000 -31.214 17.794) 35.930 20.633 ( 0.000 -12.132 18.987) 22.531 21.018 ( 0.000 6.826 6.667) 9.542 21.294 ( 0.000 -3.245 5.786) 6.634 21.849 ( 0.000 -1.113 -7.878) 7.956 23.200 ( 0.000 -23.110 -9.998) 25.180 24.168 ( 0.000 12.968 -4.594) 13.758 24.282 ( 0.000 -2.793 4.677) 5.447 24.523 ( 0.000 16.575 -5.897) 17.593 24.637 ( 0.000 -5.272 9.104) 10.521 24.894 ( 0.000 11.293 0.158) 11.295 25.582 ( 0.000 -5.517 -9.778) 11.227 25.825 ( 0.000 -1.370 -11.941) 12.019 26.047 ( 0.000 -4.387 -5.455) 7.000 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -1.489 11.927 24.904) 27.653 1.432 ( 6.497 4.600 20.685) 22.164 1.551 ( -8.734 7.829 14.818) 18.899 1.887 ( -20.407 4.587 20.695) 29.424 2.498 ( 24.965 8.988 -3.295) 26.738 2.539 ( 17.873 -1.023 14.782) 23.217 2.803 ( -8.026 -2.514 2.870) 8.887 2.856 ( 10.513 4.474 11.485) 16.200 3.026 ( -2.851 -1.709 -7.923) 8.592 3.084 ( -7.185 -1.033 -5.317) 8.998 3.147 ( -12.678 2.304 -0.522) 12.897 3.189 ( -8.979 -1.391 3.855) 9.870 3.336 ( 6.527 1.588 11.788) 13.568 3.353 ( 0.353 -3.350 -3.667) 4.979 3.489 ( 4.007 1.336 2.127) 4.729 3.712 ( -6.261 5.882 8.827) 12.318 3.836 ( 4.954 -4.604 13.327) 14.945 3.989 ( -0.681 -2.710 2.381) 3.671 4.214 ( -1.341 7.218 2.970) 7.919 4.375 ( -9.039 8.076 0.001) 12.121 4.510 ( 8.589 -6.696 -7.495) 13.220 4.661 ( -0.239 -1.821 -13.704) 13.827 4.784 ( 0.344 -4.444 3.102) 5.430 4.863 ( -3.532 4.473 -17.709) 18.603 5.022 ( 6.310 3.131 3.738) 7.974 5.159 ( -4.614 3.307 5.653) 8.011 5.316 ( 4.915 8.662 3.995) 10.731 5.419 ( -3.784 7.014 1.303) 8.075 5.602 ( 3.151 6.163 1.901) 7.178 5.694 ( -3.750 4.729 1.642) 6.255 5.857 ( 8.620 -0.319 -3.956) 9.490 6.066 ( -5.041 -3.107 5.290) 7.941 6.103 ( -0.885 -1.892 -0.410) 2.128 6.144 ( -1.634 -2.129 -4.578) 5.307 6.235 ( 3.436 -2.873 3.414) 5.632 6.392 ( -8.677 -4.617 1.865) 10.005 6.589 ( 5.561 4.360 -2.661) 7.551 6.749 ( -6.594 5.693 -5.017) 10.053 6.837 ( 6.012 -4.491 -3.569) 8.310 6.916 ( 6.195 2.364 -5.320) 8.501 6.953 ( 4.528 -4.336 -2.393) 6.710 7.018 ( -0.912 -4.691 -2.360) 5.329 7.060 ( -1.435 -2.095 1.362) 2.881 7.140 ( -4.552 1.664 -3.698) 6.097 7.282 ( 2.846 -3.753 -0.764) 4.772 7.435 ( -8.642 1.186 1.511) 8.853 7.685 ( 1.426 5.640 5.709) 8.151 7.739 ( -2.515 7.343 2.484) 8.150 7.863 ( 7.062 -2.746 5.674) 9.466 7.999 ( -4.734 2.797 0.559) 5.527 8.142 ( 2.760 0.711 8.184) 8.666 8.178 ( 1.363 -2.394 5.393) 6.056 8.362 ( 2.636 4.693 6.507) 8.445 8.423 ( -4.427 3.810 9.716) 11.336 8.643 ( 1.703 -5.111 7.670) 9.372 8.734 ( -4.319 -9.992 6.905) 12.891 9.104 ( 8.743 12.884 -1.292) 15.624 9.287 ( -6.810 9.211 6.475) 13.158 9.513 ( 6.295 -1.961 8.418) 10.693 9.609 ( -1.135 2.247 -4.150) 4.853 9.816 ( 2.306 9.426 1.535) 9.825 9.967 ( -9.948 -2.653 0.217) 10.298 10.209 ( 2.098 -4.282 -3.196) 5.741 10.249 ( -1.052 -5.065 -3.588) 6.296 10.425 ( 7.750 1.598 -9.281) 12.196 10.645 ( -10.866 0.476 -7.766) 13.365 11.068 ( 6.960 -5.468 -3.968) 9.700 11.191 ( -3.910 -6.362 -2.244) 7.798 11.624 ( 0.885 -6.259 4.648) 7.846 11.650 ( -1.324 -5.710 5.296) 7.899 12.171 ( 1.438 -2.164 4.038) 4.802 12.219 ( -2.696 -2.305 2.054) 4.100 12.450 ( 2.440 5.975 -3.103) 7.161 12.502 ( -1.937 6.136 -3.193) 7.183 12.587 ( 2.949 -0.097 -13.203) 13.529 12.655 ( -2.582 -1.805 -11.361) 11.790 13.251 ( 8.282 7.871 5.642) 12.742 13.484 ( -10.923 9.609 0.117) 14.549 14.336 ( -0.473 -1.228 -4.044) 4.253 14.345 ( -1.273 -1.263 -2.832) 3.352 14.548 ( 2.335 -1.092 -0.884) 2.725 14.586 ( -1.020 -1.879 1.584) 2.661 14.693 ( 12.175 0.458 -11.250) 16.583 14.964 ( -9.890 -2.523 -16.120) 19.080 16.520 ( 3.105 -7.104 -3.957) 8.704 16.577 ( -1.496 -5.661 -9.278) 10.971 16.899 ( 2.473 10.572 -9.895) 14.690 16.984 ( -2.924 0.801 18.520) 18.766 17.572 ( 4.717 -18.641 3.310) 19.511 17.688 ( -6.285 -7.787 -7.175) 12.314 18.292 ( 7.451 11.104 0.721) 13.391 18.405 ( -1.826 12.719 1.444) 12.931 19.003 ( 5.904 1.560 9.204) 11.046 19.489 ( -41.246 -3.519 30.566) 51.458 20.117 ( 8.944 -7.872 11.587) 16.620 20.382 ( -13.432 -8.127 11.342) 19.368 21.089 ( 9.825 0.415 6.539) 11.810 21.286 ( -6.350 -1.375 6.652) 9.298 22.611 ( 35.250 -21.752 -16.480) 44.579 23.098 ( -10.638 -24.053 -12.848) 29.271 24.227 ( 4.623 16.753 -5.611) 18.263 24.315 ( -0.079 5.623 0.739) 5.672 24.457 ( -0.337 4.578 0.871) 4.672 24.568 ( -5.829 -6.888 8.330) 12.281 25.051 ( 11.668 8.913 -4.045) 15.230 25.354 ( -14.309 1.399 -8.956) 16.939 25.942 ( 5.519 -4.284 -9.250) 11.592 26.025 ( -2.088 -4.555 -6.471) 8.184 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 14.230 19.328) 24.002 1.729 ( 0.000 14.455 21.225) 25.680 2.111 ( 0.000 1.896 16.800) 16.907 2.121 ( 0.000 13.040 2.370) 13.254 2.368 ( 0.000 0.785 7.982) 8.021 2.369 ( 0.000 18.918 0.451) 18.924 2.758 ( 0.000 3.789 14.525) 15.011 2.951 ( 0.000 -0.093 -2.265) 2.267 3.006 ( 0.000 -1.803 -6.217) 6.473 3.034 ( 0.000 -1.778 -4.539) 4.875 3.202 ( 0.000 -10.580 -0.755) 10.607 3.222 ( 0.000 0.540 -0.836) 0.995 3.271 ( 0.000 -8.886 16.021) 18.321 3.431 ( 0.000 9.981 9.063) 13.482 3.450 ( 0.000 -6.192 2.862) 6.821 3.682 ( 0.000 6.468 4.515) 7.888 3.935 ( 0.000 -1.206 4.890) 5.036 3.970 ( 0.000 4.889 -3.030) 5.752 4.250 ( 0.000 -1.826 -3.789) 4.206 4.411 ( 0.000 -0.119 0.124) 0.171 4.527 ( 0.000 0.683 -0.274) 0.737 4.652 ( 0.000 -7.206 -5.735) 9.209 4.785 ( 0.000 9.673 0.740) 9.702 4.980 ( 0.000 -1.193 11.132) 11.196 5.084 ( 0.000 11.189 -23.856) 26.350 5.314 ( 0.000 3.229 -1.976) 3.786 5.467 ( 0.000 12.562 4.701) 13.412 5.597 ( 0.000 5.989 -2.312) 6.420 5.684 ( 0.000 -2.066 -8.701) 8.943 5.745 ( 0.000 4.794 1.574) 5.046 5.824 ( 0.000 3.893 2.701) 4.738 6.028 ( 0.000 0.217 5.663) 5.668 6.042 ( 0.000 -4.337 2.080) 4.810 6.193 ( 0.000 1.806 6.304) 6.557 6.201 ( 0.000 -1.444 -3.926) 4.183 6.372 ( 0.000 -6.426 5.503) 8.460 6.524 ( 0.000 -3.261 0.024) 3.261 6.753 ( 0.000 1.809 2.323) 2.944 6.824 ( 0.000 -2.913 -4.732) 5.556 6.891 ( 0.000 9.813 -12.678) 16.033 6.906 ( 0.000 -0.720 6.800) 6.838 6.988 ( 0.000 -3.689 -0.418) 3.712 7.085 ( 0.000 -0.885 -3.094) 3.218 7.249 ( 0.000 0.543 -1.508) 1.603 7.249 ( 0.000 9.449 -2.709) 9.830 7.445 ( 0.000 -9.756 6.644) 11.803 7.676 ( 0.000 1.108 -0.264) 1.139 7.699 ( 0.000 -6.974 6.843) 9.770 7.882 ( 0.000 3.993 3.490) 5.303 8.105 ( 0.000 2.751 1.780) 3.277 8.117 ( 0.000 -0.097 10.370) 10.371 8.317 ( 0.000 9.841 1.284) 9.924 8.352 ( 0.000 1.204 4.439) 4.600 8.489 ( 0.000 -2.029 9.366) 9.583 8.633 ( 0.000 4.119 8.916) 9.821 8.682 ( 0.000 3.132 9.475) 9.979 9.270 ( 0.000 11.387 -6.832) 13.279 9.294 ( 0.000 -1.155 21.338) 21.369 9.640 ( 0.000 -2.806 2.196) 3.563 9.711 ( 0.000 10.654 -1.858) 10.814 9.975 ( 0.000 5.069 -9.064) 10.385 10.029 ( 0.000 -8.965 -2.857) 9.409 10.105 ( 0.000 8.683 -3.207) 9.256 10.177 ( 0.000 -3.331 -3.946) 5.163 10.308 ( 0.000 -1.228 -5.645) 5.777 10.777 ( 0.000 -5.746 -1.329) 5.897 10.810 ( 0.000 -4.311 -7.066) 8.277 11.062 ( 0.000 -9.160 -3.449) 9.788 11.529 ( 0.000 -1.239 2.152) 2.483 11.648 ( 0.000 3.004 1.385) 3.308 12.055 ( 0.000 -7.215 6.194) 9.509 12.154 ( 0.000 -6.033 3.116) 6.790 12.466 ( 0.000 -1.069 1.366) 1.734 12.544 ( 0.000 -2.773 0.694) 2.858 12.554 ( 0.000 -0.740 -7.268) 7.306 12.626 ( 0.000 -2.715 -5.662) 6.280 13.377 ( 0.000 11.795 1.991) 11.962 13.928 ( 0.000 15.714 -19.720) 25.216 14.158 ( 0.000 -10.922 2.859) 11.290 14.420 ( 0.000 2.707 -11.166) 11.489 14.540 ( 0.000 0.683 -5.166) 5.211 14.540 ( 0.000 -0.245 -9.689) 9.692 14.572 ( 0.000 0.200 -5.053) 5.056 14.944 ( 0.000 -8.379 -19.866) 21.561 16.413 ( 0.000 -1.852 0.976) 2.093 16.499 ( 0.000 -4.110 -9.385) 10.245 16.817 ( 0.000 -9.171 30.647) 31.990 17.089 ( 0.000 -19.111 8.140) 20.772 17.170 ( 0.000 15.100 -16.274) 22.200 17.997 ( 0.000 10.899 -24.744) 27.038 18.179 ( 0.000 -2.244 -5.603) 6.036 18.625 ( 0.000 4.843 -3.165) 5.786 19.046 ( 0.000 8.857 15.751) 18.070 19.735 ( 0.000 -12.084 15.623) 19.751 19.762 ( 0.000 -20.883 29.365) 36.033 20.342 ( 0.000 -15.161 21.943) 26.671 21.144 ( 0.000 5.115 2.989) 5.924 21.275 ( 0.000 0.441 3.138) 3.169 21.850 ( 0.000 1.322 -6.823) 6.950 22.736 ( 0.000 -20.243 -6.667) 21.313 24.115 ( 0.000 -3.778 6.103) 7.178 24.483 ( 0.000 -8.680 5.518) 10.286 24.536 ( 0.000 12.697 -8.065) 15.042 24.792 ( 0.000 8.409 -10.059) 13.111 25.115 ( 0.000 9.037 0.421) 9.047 25.456 ( 0.000 -5.706 -3.520) 6.705 25.786 ( 0.000 -2.035 -10.251) 10.451 25.939 ( 0.000 -5.232 -5.556) 7.632 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 4.491 13.736 13.350) 19.674 1.677 ( 0.453 18.849 22.378) 29.262 1.806 ( -7.442 15.747 13.347) 21.943 2.014 ( -14.584 6.997 15.836) 22.637 2.445 ( 12.612 -2.515 9.131) 15.772 2.722 ( -7.719 -2.694 0.933) 8.229 2.792 ( 17.839 8.773 0.604) 19.888 2.948 ( 5.987 3.790 6.090) 9.343 2.983 ( -0.059 -1.359 -5.261) 5.434 3.026 ( -1.170 -3.534 -2.236) 4.343 3.081 ( -6.493 -5.753 6.379) 10.768 3.212 ( -6.947 1.367 -4.870) 8.593 3.293 ( 1.377 -4.017 3.458) 5.476 3.345 ( -6.051 1.320 -3.972) 7.358 3.627 ( 10.988 0.467 6.521) 12.786 3.730 ( 8.633 7.977 13.229) 17.697 3.843 ( -7.224 -2.276 5.883) 9.591 3.965 ( -7.316 4.413 8.509) 12.059 4.309 ( 6.577 -5.887 -1.285) 8.919 4.397 ( 6.670 6.614 -6.255) 11.285 4.521 ( -9.405 -7.011 -6.767) 13.543 4.618 ( -9.845 7.240 0.891) 12.253 4.728 ( 8.615 -0.089 -1.096) 8.685 4.914 ( -6.408 -0.613 1.876) 6.705 5.157 ( 5.558 8.925 -11.660) 15.700 5.269 ( -3.741 5.957 -5.913) 9.189 5.506 ( 2.247 8.304 1.892) 8.809 5.558 ( -2.575 4.847 -2.342) 5.967 5.703 ( 2.757 2.197 -4.329) 5.583 5.768 ( -1.818 1.175 -5.034) 5.480 5.881 ( 6.130 3.132 4.554) 8.254 6.021 ( -3.859 -1.480 5.299) 6.721 6.086 ( 2.276 -0.559 4.515) 5.087 6.142 ( 1.547 1.993 -2.477) 3.536 6.185 ( -1.762 -0.927 5.370) 5.728 6.285 ( -6.105 -2.846 5.749) 8.855 6.631 ( 8.336 -4.333 -2.685) 9.771 6.746 ( 1.520 0.064 -0.154) 1.529 6.819 ( -4.021 -5.473 3.024) 7.434 6.839 ( -5.780 0.161 -5.533) 8.004 6.946 ( 1.559 0.689 2.681) 3.177 7.019 ( 1.915 4.314 -4.665) 6.636 7.050 ( 1.963 3.064 -0.631) 3.693 7.184 ( -4.825 2.352 -3.775) 6.562 7.313 ( 6.022 3.311 -2.968) 7.486 7.448 ( -3.425 -2.103 -0.386) 4.038 7.712 ( 2.293 -4.265 7.515) 8.940 7.722 ( 3.003 -5.774 6.933) 9.509 7.869 ( -0.423 3.093 2.116) 3.771 7.973 ( -8.222 1.299 2.634) 8.731 8.163 ( 3.995 2.231 7.460) 8.751 8.258 ( -3.492 3.029 6.886) 8.294 8.460 ( 6.361 3.089 4.238) 8.244 8.559 ( 4.227 3.577 7.326) 9.183 8.605 ( -5.394 3.189 7.079) 9.454 8.625 ( -1.883 4.564 8.136) 9.517 9.331 ( 3.360 4.130 6.847) 8.674 9.344 ( 3.678 2.288 9.455) 10.401 9.578 ( -2.388 1.893 1.074) 3.231 9.645 ( -5.581 4.662 -2.258) 7.615 9.968 ( 0.286 3.213 -7.180) 7.871 9.999 ( -2.110 0.415 -5.446) 5.855 10.129 ( 1.910 1.267 -2.583) 3.453 10.165 ( -1.018 -0.507 -3.132) 3.332 10.430 ( 8.501 -0.660 -5.167) 9.970 10.624 ( -8.290 -2.289 -4.715) 9.808 10.927 ( 5.300 -7.006 -3.289) 9.381 11.027 ( -3.205 -8.346 -3.121) 9.469 11.550 ( 1.901 -1.120 1.697) 2.783 11.608 ( -2.888 0.878 1.527) 3.383 12.085 ( 2.101 -5.966 5.139) 8.150 12.131 ( -1.797 -5.607 3.645) 6.924 12.486 ( 1.524 -1.688 1.344) 2.642 12.523 ( -1.558 -2.547 0.933) 3.128 12.576 ( 1.719 -1.004 -6.685) 6.975 12.613 ( -1.225 -1.920 -5.937) 6.359 13.484 ( 9.351 11.832 -1.809) 15.189 13.752 ( -12.703 13.051 -11.585) 21.585 14.231 ( 5.268 -6.429 -1.667) 8.478 14.347 ( -4.653 -0.138 -8.254) 9.476 14.537 ( 0.549 -0.170 -3.683) 3.727 14.553 ( -0.576 -0.947 -2.694) 2.913 14.702 ( 9.024 0.570 -16.491) 18.807 14.883 ( -5.857 -4.697 -19.641) 21.027 16.386 ( -0.070 -5.351 4.273) 6.848 16.440 ( -3.860 -6.571 -0.932) 7.678 16.916 ( 6.427 -6.018 18.591) 20.571 17.048 ( -4.460 -5.848 8.281) 11.075 17.309 ( 12.321 2.977 -14.526) 19.279 17.659 ( -17.894 4.316 -17.916) 25.687 18.438 ( 11.525 2.931 -9.853) 15.443 18.598 ( -3.074 4.226 -6.080) 8.018 19.100 ( 6.299 8.018 21.199) 23.524 19.403 ( -19.784 -3.981 29.886) 36.061 19.905 ( 9.925 -10.964 14.995) 21.061 20.173 ( -12.502 -10.973 17.629) 24.238 21.119 ( 4.681 2.388 2.935) 6.019 21.258 ( -5.164 -1.078 4.830) 7.152 22.245 ( 23.363 -12.061 -7.998) 27.482 22.630 ( -10.297 -19.375 -7.440) 23.168 24.204 ( 7.413 -5.009 5.806) 10.665 24.389 ( -7.495 -7.215 5.221) 11.640 24.584 ( 4.038 11.711 -7.871) 14.677 24.704 ( -6.002 10.356 -8.763) 14.835 25.204 ( 6.510 5.435 -1.538) 8.619 25.361 ( -6.806 -0.739 -3.275) 7.589 25.846 ( 3.806 -4.231 -8.492) 10.223 25.915 ( -2.138 -5.185 -6.396) 8.507 ======================= Grid point 63 (27/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.808 ( 0.000 13.297 7.773) 15.403 2.003 ( 0.000 9.726 9.672) 13.716 2.271 ( 0.000 12.550 15.118) 19.648 2.365 ( 0.000 1.689 13.275) 13.382 2.473 ( 0.000 16.358 3.045) 16.639 2.687 ( 0.000 -1.967 15.016) 15.145 2.740 ( 0.000 5.814 -8.258) 10.099 2.903 ( 0.000 -9.098 2.659) 9.479 2.946 ( 0.000 -6.601 -1.359) 6.740 2.964 ( 0.000 -1.604 -4.079) 4.383 3.060 ( 0.000 3.323 -1.959) 3.857 3.126 ( 0.000 -2.793 10.070) 10.450 3.246 ( 0.000 -0.217 -2.224) 2.235 3.331 ( 0.000 -5.775 -0.546) 5.801 3.584 ( 0.000 4.167 0.342) 4.181 3.868 ( 0.000 10.457 23.144) 25.397 3.919 ( 0.000 -7.416 -1.663) 7.600 3.995 ( 0.000 6.871 -0.326) 6.879 4.243 ( 0.000 -3.340 -6.841) 7.613 4.337 ( 0.000 -8.463 9.747) 12.908 4.539 ( 0.000 1.508 -11.210) 11.311 4.568 ( 0.000 3.178 -9.747) 10.252 4.941 ( 0.000 -1.122 11.206) 11.262 4.982 ( 0.000 5.845 9.797) 11.408 5.316 ( 0.000 9.309 -18.857) 21.030 5.395 ( 0.000 6.490 -6.871) 9.452 5.588 ( 0.000 -2.102 -4.500) 4.966 5.657 ( 0.000 -0.729 -7.191) 7.228 5.666 ( 0.000 0.462 -3.617) 3.646 5.764 ( 0.000 -2.378 -7.224) 7.606 5.944 ( 0.000 -3.891 -0.570) 3.932 5.950 ( 0.000 1.060 -0.790) 1.323 6.043 ( 0.000 5.829 14.180) 15.331 6.181 ( 0.000 -0.271 0.869) 0.910 6.223 ( 0.000 1.368 0.302) 1.401 6.308 ( 0.000 -0.933 3.642) 3.759 6.528 ( 0.000 5.003 6.468) 8.177 6.752 ( 0.000 -1.890 2.706) 3.301 6.754 ( 0.000 -3.187 -0.051) 3.188 6.879 ( 0.000 -6.509 6.342) 9.088 6.989 ( 0.000 7.218 7.418) 10.350 7.055 ( 0.000 3.986 -7.037) 8.087 7.084 ( 0.000 0.304 -4.238) 4.249 7.248 ( 0.000 -7.001 3.390) 7.779 7.275 ( 0.000 2.261 2.861) 3.647 7.452 ( 0.000 7.820 -2.871) 8.330 7.528 ( 0.000 -7.371 5.413) 9.145 7.658 ( 0.000 -1.970 2.190) 2.945 7.971 ( 0.000 4.167 3.762) 5.614 8.093 ( 0.000 -2.455 15.847) 16.036 8.209 ( 0.000 5.476 1.424) 5.659 8.338 ( 0.000 -1.487 2.414) 2.835 8.445 ( 0.000 0.019 9.073) 9.073 8.453 ( 0.000 2.963 0.828) 3.076 8.804 ( 0.000 8.114 3.599) 8.876 8.841 ( 0.000 10.311 5.045) 11.479 9.293 ( 0.000 -0.029 17.495) 17.495 9.395 ( 0.000 -1.095 -3.248) 3.427 9.581 ( 0.000 -0.425 6.281) 6.295 9.787 ( 0.000 -5.805 -6.552) 8.753 9.923 ( 0.000 2.864 0.289) 2.879 10.072 ( 0.000 1.593 -6.383) 6.579 10.162 ( 0.000 2.338 -3.486) 4.198 10.223 ( 0.000 1.573 -9.914) 10.038 10.362 ( 0.000 6.896 -2.207) 7.241 10.686 ( 0.000 -7.161 -7.909) 10.670 10.700 ( 0.000 -0.594 -2.077) 2.161 10.883 ( 0.000 -7.340 -4.564) 8.644 11.546 ( 0.000 2.867 4.026) 4.943 11.743 ( 0.000 5.233 1.751) 5.518 11.859 ( 0.000 -10.407 7.077) 12.585 12.014 ( 0.000 -7.108 4.427) 8.374 12.444 ( 0.000 0.081 1.154) 1.157 12.490 ( 0.000 -1.211 1.302) 1.778 12.526 ( 0.000 -1.723 -3.170) 3.608 12.566 ( 0.000 -3.150 -1.885) 3.671 13.588 ( 0.000 7.907 0.260) 7.911 13.922 ( 0.000 -10.513 1.811) 10.668 14.235 ( 0.000 12.437 -22.527) 25.732 14.481 ( 0.000 3.327 -17.087) 17.407 14.518 ( 0.000 -1.832 -11.426) 11.572 14.554 ( 0.000 0.809 -5.587) 5.645 14.579 ( 0.000 -0.227 -10.990) 10.992 14.751 ( 0.000 -9.015 -21.097) 22.942 16.405 ( 0.000 1.452 5.306) 5.501 16.454 ( 0.000 0.274 2.259) 2.276 16.634 ( 0.000 -7.691 21.411) 22.750 16.734 ( 0.000 -14.058 9.686) 17.072 17.501 ( 0.000 15.716 -16.473) 22.767 18.056 ( 0.000 -9.008 -11.349) 14.489 18.252 ( 0.000 12.504 -22.844) 26.043 18.629 ( 0.000 -3.412 -11.461) 11.958 19.315 ( 0.000 14.045 24.567) 28.299 19.467 ( 0.000 -6.992 24.915) 25.878 19.506 ( 0.000 -8.801 19.837) 21.702 20.006 ( 0.000 -16.253 23.237) 28.357 21.232 ( 0.000 3.162 1.309) 3.423 21.286 ( 0.000 0.303 2.283) 2.303 21.915 ( 0.000 5.184 -5.539) 7.587 22.355 ( 0.000 -15.668 -5.104) 16.478 24.087 ( 0.000 1.098 5.370) 5.481 24.299 ( 0.000 -8.174 4.270) 9.222 24.748 ( 0.000 7.593 -7.822) 10.901 24.894 ( 0.000 1.540 -9.476) 9.600 25.262 ( 0.000 4.706 0.547) 4.738 25.359 ( 0.000 -3.109 -0.107) 3.111 25.753 ( 0.000 -0.674 -8.862) 8.888 25.839 ( 0.000 -4.143 -6.313) 7.551 ======================= Grid point 64 (28/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 8.666 12.904 4.932) 16.307 2.048 ( 3.466 10.586 11.722) 16.171 2.189 ( -9.958 12.960 9.231) 18.770 2.207 ( -9.842 20.529 12.633) 26.036 2.437 ( 6.704 2.437 10.821) 12.960 2.628 ( -8.240 -4.414 8.125) 12.386 2.858 ( 3.784 -4.734 7.457) 9.609 2.896 ( -0.029 -4.906 -0.834) 4.977 2.953 ( -0.095 -2.529 -0.931) 2.697 2.966 ( 0.439 -3.463 -0.404) 3.514 3.101 ( 6.139 4.614 -3.954) 8.637 3.186 ( 1.369 -4.199 6.614) 7.953 3.232 ( 0.534 -0.839 -6.288) 6.366 3.322 ( -2.822 -3.726 -1.324) 4.858 3.607 ( 4.367 2.619 1.246) 5.243 3.788 ( -8.618 0.670 5.757) 10.385 3.983 ( 3.991 6.612 6.760) 10.264 4.005 ( 1.904 -0.923 -3.100) 3.753 4.220 ( 0.849 -1.491 0.512) 1.791 4.318 ( -4.690 -7.296 8.545) 12.175 4.575 ( 7.460 5.914 -7.771) 12.289 4.690 ( 6.990 1.290 -4.421) 8.371 4.837 ( -9.826 4.938 8.570) 13.942 4.878 ( -6.114 1.621 6.778) 9.271 5.350 ( 2.671 7.681 -15.396) 17.412 5.396 ( -0.648 6.219 -9.885) 11.696 5.590 ( -0.017 -0.350 -5.157) 5.169 5.600 ( -1.617 -0.108 -8.372) 8.527 5.733 ( 3.064 0.430 -1.781) 3.571 5.772 ( 0.019 -1.112 -4.425) 4.563 5.913 ( 0.251 -0.430 2.461) 2.511 5.948 ( -1.910 -4.476 2.225) 5.351 6.078 ( 0.387 -0.076 2.928) 2.954 6.130 ( -2.966 -2.427 4.114) 5.623 6.250 ( 4.796 6.468 2.088) 8.319 6.353 ( -0.693 6.040 6.261) 8.727 6.552 ( 4.501 -0.356 2.542) 5.182 6.694 ( -5.308 -3.101 1.624) 6.359 6.749 ( 0.555 -2.730 2.434) 3.699 6.813 ( -4.392 -3.645 4.105) 7.030 7.014 ( 2.927 4.998 3.534) 6.785 7.082 ( -1.607 1.796 -0.981) 2.602 7.127 ( 4.577 1.623 -4.811) 6.836 7.201 ( -1.778 -1.430 -1.938) 2.994 7.371 ( 2.976 -1.168 3.477) 4.723 7.397 ( -2.075 2.953 -1.291) 3.833 7.570 ( 4.198 -5.988 7.606) 10.551 7.660 ( -2.041 -0.505 4.984) 5.409 7.941 ( 0.045 2.922 3.515) 4.571 8.029 ( -5.861 1.849 8.730) 10.676 8.213 ( 2.601 2.426 4.366) 5.631 8.293 ( -3.950 1.150 1.873) 4.520 8.480 ( 6.432 0.295 7.376) 9.791 8.563 ( 1.264 0.194 7.949) 8.051 8.786 ( -0.067 9.689 1.241) 9.768 8.822 ( -1.877 10.208 3.480) 10.947 9.317 ( 2.172 -1.412 15.406) 15.623 9.375 ( -2.193 -2.920 6.912) 7.817 9.603 ( 2.982 1.004 -1.538) 3.502 9.714 ( -5.824 -1.163 -5.992) 8.436 9.918 ( 1.364 -0.827 -1.637) 2.286 9.986 ( -4.395 -1.067 -4.072) 6.086 10.210 ( 4.300 4.519 -6.004) 8.658 10.297 ( -2.420 7.568 -8.595) 11.705 10.420 ( 8.173 0.063 -2.456) 8.534 10.578 ( -5.561 -1.216 -4.824) 7.462 10.793 ( 3.813 -5.208 -3.924) 7.554 10.863 ( -2.097 -6.784 -4.196) 8.248 11.558 ( 1.771 1.641 3.123) 3.948 11.642 ( -5.386 1.524 2.799) 6.259 11.938 ( 3.770 -6.707 5.713) 9.583 11.997 ( -1.559 -6.581 5.081) 8.460 12.453 ( 0.774 -0.314 0.896) 1.225 12.474 ( -1.011 -1.036 0.922) 1.716 12.545 ( 1.361 -1.830 -2.430) 3.332 12.567 ( -0.328 -2.458 -1.761) 3.042 13.675 ( 7.929 5.644 -2.524) 10.055 13.894 ( -7.960 -1.666 -4.421) 9.256 14.178 ( 3.731 3.582 -12.011) 13.077 14.348 ( -8.270 0.559 -12.294) 14.827 14.532 ( 0.237 -0.271 -7.275) 7.283 14.543 ( -0.663 -0.351 -6.430) 6.474 14.716 ( 6.748 0.687 -20.854) 21.929 14.788 ( 0.664 -3.753 -23.243) 23.554 16.302 ( -4.193 -2.415 10.843) 11.874 16.325 ( -5.409 -3.899 7.328) 9.908 16.779 ( 6.252 -5.678 14.438) 16.727 16.822 ( 3.335 -9.496 13.093) 16.515 17.539 ( 5.164 12.521 -18.796) 23.168 17.775 ( -14.760 4.028 -18.026) 23.643 18.459 ( 9.381 0.534 -16.495) 18.984 18.600 ( -3.250 -3.056 -13.691) 14.400 19.296 ( -0.249 8.646 25.248) 26.689 19.344 ( -4.598 -1.284 28.112) 28.515 19.710 ( 11.260 -5.991 18.172) 22.202 19.935 ( -7.191 -11.185 21.344) 25.147 21.179 ( -0.310 2.915 0.769) 3.031 21.243 ( -4.078 -0.516 2.424) 4.772 22.088 ( 11.284 -3.157 -5.242) 12.836 22.292 ( -5.955 -12.436 -5.080) 14.694 24.140 ( 4.330 -1.021 5.204) 6.846 24.247 ( -4.258 -5.677 4.668) 8.494 24.775 ( 2.428 6.202 -8.098) 10.485 24.847 ( -3.473 3.344 -8.902) 10.124 25.290 ( 2.157 2.832 0.230) 3.568 25.339 ( -1.776 -0.926 -0.102) 2.006 25.778 ( 1.929 -1.968 -8.239) 8.688 25.821 ( -1.535 -3.590 -6.974) 7.992 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 0.000 -6.789 2.266) 7.158 2.037 ( 0.000 6.789 2.266) 7.158 2.464 ( 0.000 -5.962 13.226) 14.508 2.464 ( 0.000 5.962 13.226) 14.508 2.609 ( 0.000 -11.629 10.277) 15.519 2.609 ( 0.000 11.629 10.277) 15.519 2.758 ( 0.000 -6.470 2.525) 6.945 2.758 ( 0.000 6.470 2.525) 6.945 2.948 ( 0.000 -2.606 2.471) 3.591 2.948 ( 0.000 2.606 2.471) 3.591 3.124 ( 0.000 -0.010 -7.538) 7.538 3.124 ( 0.000 0.011 -7.538) 7.538 3.226 ( 0.000 -1.236 1.628) 2.044 3.226 ( 0.000 1.236 1.628) 2.044 3.721 ( 0.000 -9.631 -2.835) 10.040 3.721 ( 0.000 9.631 -2.835) 10.040 4.093 ( 0.000 -10.233 3.686) 10.877 4.093 ( 0.000 10.233 3.686) 10.877 4.149 ( 0.000 -6.821 13.208) 14.866 4.149 ( 0.000 6.821 13.209) 14.866 4.605 ( 0.000 -0.679 -16.336) 16.350 4.605 ( 0.000 0.679 -16.336) 16.350 4.978 ( 0.000 -3.756 15.279) 15.734 4.978 ( 0.000 3.756 15.279) 15.734 5.475 ( 0.000 -6.905 -12.777) 14.524 5.475 ( 0.000 6.905 -12.777) 14.524 5.603 ( 0.000 -9.860 -8.532) 13.039 5.603 ( 0.000 9.860 -8.532) 13.039 5.660 ( 0.000 -1.574 -4.089) 4.381 5.660 ( 0.000 1.574 -4.089) 4.381 5.915 ( 0.000 -0.703 -2.447) 2.546 5.915 ( 0.000 0.703 -2.447) 2.546 6.167 ( 0.000 -1.645 6.363) 6.573 6.167 ( 0.000 1.645 6.363) 6.573 6.272 ( 0.000 -1.645 0.657) 1.771 6.272 ( 0.000 1.645 0.657) 1.771 6.698 ( 0.000 -9.292 10.509) 14.028 6.698 ( 0.000 9.292 10.509) 14.028 6.721 ( 0.000 -0.119 2.586) 2.589 6.721 ( 0.000 0.119 2.586) 2.589 7.085 ( 0.000 -0.030 -4.045) 4.045 7.085 ( 0.000 0.030 -4.045) 4.045 7.128 ( 0.000 -5.154 3.008) 5.967 7.128 ( 0.000 5.154 3.008) 5.967 7.368 ( 0.000 -6.280 7.011) 9.412 7.368 ( 0.000 6.280 7.011) 9.412 7.599 ( 0.000 -3.355 -1.707) 3.764 7.599 ( 0.000 3.355 -1.707) 3.764 8.037 ( 0.000 -1.976 10.870) 11.048 8.037 ( 0.000 1.976 10.870) 11.048 8.299 ( 0.000 -1.979 2.556) 3.232 8.299 ( 0.000 1.979 2.556) 3.232 8.464 ( 0.000 -0.325 3.912) 3.926 8.464 ( 0.000 0.326 3.912) 3.926 8.953 ( 0.000 -2.151 0.798) 2.294 8.953 ( 0.000 2.151 0.798) 2.294 9.299 ( 0.000 -3.029 8.224) 8.763 9.299 ( 0.000 3.029 8.224) 8.763 9.651 ( 0.000 -5.977 1.378) 6.134 9.651 ( 0.000 5.977 1.378) 6.134 10.018 ( 0.000 -4.905 -3.730) 6.162 10.018 ( 0.000 4.905 -3.730) 6.162 10.226 ( 0.000 -1.211 -3.686) 3.880 10.226 ( 0.000 1.211 -3.686) 3.880 10.523 ( 0.000 -7.518 -7.413) 10.558 10.523 ( 0.000 7.518 -7.413) 10.558 10.753 ( 0.000 -4.836 -5.052) 6.994 10.753 ( 0.000 4.836 -5.052) 6.994 11.658 ( 0.000 -7.636 6.682) 10.146 11.658 ( 0.000 7.636 6.682) 10.146 11.866 ( 0.000 -6.436 3.894) 7.522 11.866 ( 0.000 6.436 3.894) 7.522 12.478 ( 0.000 -2.567 -1.318) 2.886 12.478 ( 0.000 2.567 -1.318) 2.886 12.504 ( 0.000 -2.064 0.329) 2.090 12.504 ( 0.000 2.064 0.329) 2.090 13.736 ( 0.000 -6.813 1.102) 6.902 13.736 ( 0.000 6.813 1.102) 6.902 14.437 ( 0.000 -5.279 -18.521) 19.259 14.437 ( 0.000 5.279 -18.521) 19.259 14.554 ( 0.000 -1.470 -13.893) 13.971 14.554 ( 0.000 1.470 -13.893) 13.971 14.597 ( 0.000 -4.656 -15.133) 15.833 14.597 ( 0.000 4.656 -15.133) 15.833 16.495 ( 0.000 -6.511 8.949) 11.067 16.495 ( 0.000 6.511 8.949) 11.067 16.511 ( 0.000 -5.646 12.318) 13.550 16.511 ( 0.000 5.646 12.318) 13.550 17.814 ( 0.000 -13.498 -14.852) 20.070 17.814 ( 0.000 13.498 -14.852) 20.070 18.492 ( 0.000 -9.448 -18.727) 20.975 18.492 ( 0.000 9.448 -18.727) 20.975 19.388 ( 0.000 -1.330 23.755) 23.792 19.388 ( 0.000 1.330 23.755) 23.792 19.664 ( 0.000 -15.898 23.637) 28.486 19.664 ( 0.000 15.898 23.637) 28.486 21.278 ( 0.000 -1.201 1.358) 1.813 21.278 ( 0.000 1.201 1.358) 1.813 22.079 ( 0.000 -10.371 -4.741) 11.404 22.079 ( 0.000 10.371 -4.741) 11.404 24.155 ( 0.000 -5.164 4.612) 6.924 24.155 ( 0.000 5.164 4.612) 6.924 24.867 ( 0.000 -3.687 -8.358) 9.135 24.867 ( 0.000 3.687 -8.358) 9.135 25.320 ( 0.000 -1.370 0.739) 1.556 25.320 ( 0.000 1.370 0.739) 1.556 25.769 ( 0.000 -2.198 -7.557) 7.870 25.769 ( 0.000 2.198 -7.557) 7.870 ======================= Grid point 68 (30/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 3.555 0.000 1.284) 3.780 2.094 ( 3.018 -0.000 2.734) 4.072 2.410 ( -0.440 0.000 8.538) 8.549 2.500 ( -7.702 0.000 2.789) 8.192 2.577 ( 6.326 -0.000 14.452) 15.776 2.619 ( 1.176 0.000 12.093) 12.150 2.672 ( -2.155 -0.000 11.130) 11.337 2.741 ( -6.091 0.000 7.599) 9.738 2.917 ( -0.812 0.000 0.703) 1.074 2.935 ( -1.704 -0.000 1.811) 2.487 3.134 ( 3.058 0.000 -1.209) 3.288 3.146 ( 0.689 -0.000 -8.042) 8.071 3.204 ( 0.357 -0.000 -2.523) 2.548 3.265 ( -1.350 0.000 2.459) 2.805 3.743 ( 1.762 0.000 -6.847) 7.070 3.752 ( 2.499 -0.000 0.915) 2.662 3.984 ( -3.096 -0.000 8.004) 8.582 4.002 ( -5.034 0.000 -8.288) 9.697 4.197 ( 4.319 0.000 5.354) 6.879 4.275 ( -0.058 0.000 12.142) 12.142 4.606 ( 6.672 0.000 -3.303) 7.444 4.733 ( 3.179 -0.000 -10.917) 11.371 4.866 ( -4.093 0.000 13.510) 14.116 4.952 ( -5.100 0.000 8.400) 9.827 5.440 ( 0.585 0.000 -13.041) 13.054 5.480 ( -1.211 0.000 -6.485) 6.597 5.588 ( -1.272 -0.000 -15.102) 15.156 5.588 ( -0.285 0.000 -11.009) 11.013 5.717 ( 2.705 0.000 2.293) 3.546 5.721 ( 3.545 0.000 -2.230) 4.188 5.895 ( -0.024 0.000 1.376) 1.376 5.920 ( -1.195 0.000 -2.719) 2.971 6.072 ( -2.645 0.000 2.380) 3.558 6.100 ( -5.103 0.000 2.708) 5.777 6.333 ( 8.146 0.000 0.513) 8.162 6.430 ( 3.497 0.000 3.738) 5.119 6.603 ( -3.110 0.000 8.661) 9.203 6.655 ( -4.654 0.000 6.200) 7.753 6.706 ( 0.108 0.000 1.031) 1.037 6.733 ( -0.998 0.000 6.201) 6.281 7.084 ( 0.796 -0.000 0.685) 1.050 7.100 ( 0.513 0.000 -2.749) 2.797 7.129 ( 2.316 0.000 -1.575) 2.800 7.163 ( -0.279 0.000 0.910) 0.952 7.384 ( 0.594 0.000 5.522) 5.554 7.425 ( -3.562 -0.000 3.791) 5.202 7.507 ( 7.186 0.000 5.626) 9.126 7.665 ( -3.050 0.000 4.125) 5.130 7.969 ( 0.445 0.000 4.973) 4.993 8.049 ( -3.528 0.000 9.473) 10.109 8.246 ( 0.999 0.000 3.079) 3.238 8.304 ( -3.750 0.000 -1.808) 4.163 8.484 ( 6.543 0.000 7.529) 9.975 8.565 ( 0.878 0.000 8.495) 8.541 8.931 ( 0.010 -0.000 -1.771) 1.771 8.955 ( -1.068 0.000 1.332) 1.708 9.288 ( -0.079 -0.000 8.320) 8.320 9.298 ( -0.630 0.000 8.728) 8.751 9.628 ( 0.194 0.000 -1.070) 1.087 9.656 ( -1.261 -0.000 1.532) 1.984 9.950 ( -2.339 0.000 -3.424) 4.147 9.963 ( -2.703 -0.000 -1.268) 2.986 10.259 ( 5.026 0.000 -4.902) 7.021 10.385 ( -5.884 0.000 -5.197) 7.850 10.433 ( 9.462 -0.000 -7.269) 11.932 10.570 ( -1.742 -0.000 -6.864) 7.082 10.753 ( 0.009 -0.000 -4.491) 4.491 10.758 ( -0.158 0.000 -4.596) 4.599 11.597 ( -0.455 0.000 4.878) 4.899 11.647 ( -3.479 0.000 5.687) 6.666 11.868 ( 2.084 0.000 4.736) 5.174 11.900 ( 0.004 0.000 5.616) 5.616 12.466 ( 0.015 0.000 -1.147) 1.147 12.475 ( -0.757 0.000 -0.366) 0.841 12.513 ( 1.501 -0.000 -0.557) 1.601 12.529 ( 0.299 -0.000 0.193) 0.356 13.735 ( 4.537 0.000 -1.284) 4.715 13.837 ( 0.111 0.000 -1.572) 1.576 14.245 ( -2.314 0.000 -14.129) 14.318 14.359 ( -8.683 0.000 -13.970) 16.448 14.528 ( 0.520 0.000 -10.501) 10.514 14.537 ( -0.956 0.000 -7.873) 7.931 14.734 ( 5.370 -0.000 -22.560) 23.190 14.736 ( 4.920 0.000 -24.350) 24.842 16.278 ( -6.198 0.000 12.976) 14.380 16.285 ( -6.638 0.000 11.409) 13.200 16.706 ( 6.302 -0.000 11.224) 12.872 16.723 ( 5.528 0.000 14.372) 15.399 17.744 ( -2.935 -0.000 -18.140) 18.376 17.762 ( -3.719 0.000 -16.766) 17.174 18.509 ( 1.040 -0.000 -18.537) 18.566 18.512 ( 0.841 0.000 -17.047) 17.068 19.336 ( 0.582 0.000 26.557) 26.563 19.394 ( -3.245 0.000 23.255) 23.481 19.708 ( 4.659 -0.000 22.805) 23.276 19.741 ( 2.122 0.000 21.667) 21.771 21.223 ( -2.594 -0.000 0.225) 2.604 21.229 ( -2.986 0.000 1.141) 3.197 22.098 ( 2.027 0.000 -4.690) 5.109 22.117 ( 0.924 -0.000 -4.009) 4.114 24.156 ( 0.285 -0.000 4.694) 4.703 24.160 ( 0.051 0.000 4.775) 4.775 24.851 ( -0.038 0.000 -8.204) 8.204 24.866 ( -0.881 0.000 -8.223) 8.270 25.323 ( 0.444 0.000 0.824) 0.936 25.328 ( 0.170 0.000 0.694) 0.715 25.766 ( 0.175 -0.000 -7.808) 7.810 25.772 ( -0.191 0.000 -7.739) 7.742 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 0.000 24.472) 24.472 1.771 ( 0.000 0.000 4.533) 4.533 1.954 ( 0.000 0.000 7.621) 7.621 2.008 ( 0.000 0.000 28.163) 28.163 2.504 ( 0.000 0.000 8.184) 8.184 2.601 ( 0.000 0.000 3.868) 3.868 2.772 ( 0.000 0.000 10.394) 10.394 2.870 ( 0.000 0.000 -9.328) 9.328 2.971 ( 0.000 0.000 -5.807) 5.807 3.015 ( 0.000 0.000 3.317) 3.317 3.282 ( 0.000 0.000 -6.389) 6.389 3.301 ( 0.000 0.000 1.503) 1.503 3.311 ( 0.000 0.000 -4.299) 4.299 3.371 ( 0.000 0.000 -14.032) 14.032 3.564 ( 0.000 0.000 30.487) 30.487 3.849 ( 0.000 0.000 19.288) 19.288 3.967 ( 0.000 0.000 -19.696) 19.696 4.026 ( 0.000 0.000 -19.120) 19.120 4.100 ( 0.000 0.000 -15.604) 15.604 4.210 ( 0.000 0.000 5.672) 5.672 4.356 ( 0.000 0.000 -4.128) 4.128 4.578 ( 0.000 0.000 15.075) 15.075 4.991 ( 0.000 0.000 8.625) 8.625 5.026 ( 0.000 0.000 25.460) 25.460 5.060 ( 0.000 0.000 -1.321) 1.321 5.076 ( 0.000 0.000 9.422) 9.422 5.342 ( 0.000 0.000 -3.471) 3.471 5.521 ( 0.000 0.000 5.035) 5.035 5.601 ( 0.000 0.000 13.735) 13.735 5.652 ( 0.000 0.000 -3.063) 3.063 5.778 ( 0.000 0.000 2.966) 2.966 5.954 ( 0.000 0.000 -9.309) 9.309 6.094 ( 0.000 0.000 1.502) 1.502 6.283 ( 0.000 0.000 -9.867) 9.867 6.358 ( 0.000 0.000 6.595) 6.595 6.474 ( 0.000 0.000 -11.648) 11.648 6.528 ( 0.000 0.000 4.508) 4.508 6.615 ( 0.000 0.000 4.061) 4.061 6.661 ( 0.000 0.000 -2.346) 2.346 6.847 ( 0.000 0.000 -11.139) 11.139 6.854 ( 0.000 0.000 0.550) 0.550 6.943 ( 0.000 0.000 -0.927) 0.927 6.945 ( 0.000 0.000 -4.965) 4.965 7.057 ( 0.000 0.000 -7.629) 7.629 7.389 ( 0.000 0.000 -4.505) 4.505 7.524 ( 0.000 0.000 -2.925) 2.925 7.759 ( 0.000 0.000 4.541) 4.541 7.849 ( 0.000 0.000 9.351) 9.351 7.859 ( 0.000 0.000 6.198) 6.198 7.953 ( 0.000 0.000 2.275) 2.275 8.199 ( 0.000 0.000 0.792) 0.792 8.341 ( 0.000 0.000 13.368) 13.368 8.344 ( 0.000 0.000 -7.369) 7.369 8.711 ( 0.000 0.000 2.707) 2.707 8.723 ( 0.000 0.000 9.744) 9.744 8.937 ( 0.000 0.000 13.315) 13.315 9.072 ( 0.000 0.000 4.814) 4.814 9.340 ( 0.000 0.000 4.838) 4.838 9.395 ( 0.000 0.000 -8.151) 8.151 9.479 ( 0.000 0.000 -6.781) 6.781 9.904 ( 0.000 0.000 -15.234) 15.234 9.937 ( 0.000 0.000 13.171) 13.171 9.995 ( 0.000 0.000 -15.192) 15.192 10.175 ( 0.000 0.000 -1.585) 1.585 10.338 ( 0.000 0.000 2.550) 2.550 10.688 ( 0.000 0.000 -10.960) 10.960 10.750 ( 0.000 0.000 -11.055) 11.055 11.224 ( 0.000 0.000 -8.205) 8.205 11.869 ( 0.000 0.000 3.888) 3.888 11.908 ( 0.000 0.000 5.867) 5.867 12.119 ( 0.000 0.000 -7.956) 7.956 12.233 ( 0.000 0.000 -11.868) 11.868 12.275 ( 0.000 0.000 -3.590) 3.590 12.278 ( 0.000 0.000 3.828) 3.828 12.320 ( 0.000 0.000 -1.291) 1.291 12.497 ( 0.000 0.000 -9.333) 9.333 13.309 ( 0.000 0.000 12.583) 12.583 13.740 ( 0.000 0.000 11.513) 11.513 14.212 ( 0.000 0.000 -6.389) 6.389 14.387 ( 0.000 0.000 -3.113) 3.113 14.429 ( 0.000 0.000 -4.891) 4.891 14.479 ( 0.000 0.000 0.980) 0.980 14.681 ( 0.000 0.000 1.055) 1.055 14.783 ( 0.000 0.000 -14.587) 14.587 16.334 ( 0.000 0.000 -10.657) 10.657 16.337 ( 0.000 0.000 -11.613) 11.613 16.555 ( 0.000 0.000 -7.154) 7.154 17.247 ( 0.000 0.000 -24.426) 24.426 17.743 ( 0.000 0.000 0.248) 0.248 17.822 ( 0.000 0.000 18.191) 18.191 18.170 ( 0.000 0.000 0.510) 0.510 18.278 ( 0.000 0.000 6.210) 6.210 19.077 ( 0.000 0.000 16.176) 16.176 20.312 ( 0.000 0.000 12.348) 12.348 20.589 ( 0.000 0.000 -9.158) 9.158 20.903 ( 0.000 0.000 0.411) 0.411 21.271 ( 0.000 0.000 21.319) 21.319 21.502 ( 0.000 0.000 4.429) 4.429 21.702 ( 0.000 0.000 -8.021) 8.021 23.123 ( 0.000 0.000 -26.963) 26.963 23.927 ( 0.000 0.000 7.000) 7.000 24.415 ( 0.000 0.000 8.989) 8.989 24.623 ( 0.000 0.000 11.517) 11.517 24.636 ( 0.000 0.000 -6.545) 6.545 24.933 ( 0.000 0.000 13.173) 13.173 25.370 ( 0.000 0.000 -14.411) 14.411 25.585 ( 0.000 0.000 -13.096) 13.096 25.941 ( 0.000 0.000 -10.034) 10.034 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.428 0.000 19.676) 19.680 1.799 ( -11.159 0.000 23.294) 25.829 1.887 ( 11.190 0.000 22.322) 24.970 2.218 ( -17.049 0.000 17.110) 24.154 2.338 ( 21.334 0.000 -1.303) 21.374 2.704 ( 0.806 0.000 -2.133) 2.280 2.841 ( 2.408 0.000 -6.371) 6.811 2.862 ( -8.712 0.000 1.278) 8.806 2.871 ( -0.289 0.000 -8.511) 8.515 2.988 ( -11.665 0.000 -0.031) 11.665 3.089 ( 6.575 0.000 -2.366) 6.988 3.224 ( -5.634 0.000 -3.641) 6.708 3.440 ( 10.833 0.000 9.591) 14.468 3.629 ( 11.189 0.000 -7.191) 13.300 3.702 ( -10.651 0.000 13.378) 17.100 3.738 ( 8.627 0.000 18.793) 20.678 3.966 ( -2.611 0.000 -2.442) 3.575 3.988 ( 0.963 0.000 -22.768) 22.788 4.011 ( -1.104 0.000 -22.023) 22.051 4.183 ( -10.469 0.000 11.213) 15.340 4.507 ( 11.213 0.000 7.181) 13.316 4.612 ( 7.141 0.000 7.038) 10.027 4.780 ( -12.313 0.000 15.393) 19.712 4.822 ( -9.601 0.000 3.488) 10.215 5.179 ( 5.313 0.000 0.081) 5.314 5.285 ( -4.169 0.000 -2.395) 4.808 5.310 ( 10.764 0.000 16.968) 20.095 5.502 ( -5.076 0.000 14.334) 15.206 5.581 ( 1.653 0.000 3.655) 4.011 5.672 ( -5.592 0.000 -0.262) 5.598 5.778 ( 10.022 0.000 -2.889) 10.430 6.044 ( -11.950 0.000 -4.088) 12.630 6.115 ( 10.411 0.000 -4.571) 11.370 6.172 ( 3.470 0.000 2.139) 4.076 6.289 ( -5.418 0.000 4.744) 7.202 6.354 ( -9.773 0.000 -5.531) 11.230 6.578 ( 5.081 0.000 0.772) 5.140 6.664 ( 2.343 0.000 -9.646) 9.927 6.697 ( -3.239 0.000 -0.348) 3.257 6.763 ( -5.250 0.000 -12.755) 13.793 6.939 ( 9.751 0.000 -0.008) 9.751 6.982 ( 3.556 0.000 -3.399) 4.919 7.025 ( 1.612 0.000 -3.060) 3.459 7.065 ( -0.802 0.000 -7.318) 7.362 7.423 ( 4.273 0.000 -0.552) 4.309 7.551 ( 3.540 0.000 1.228) 3.747 7.626 ( -12.355 0.000 6.725) 14.066 7.699 ( -8.824 0.000 6.760) 11.116 7.868 ( 7.285 0.000 1.880) 7.524 8.006 ( -2.460 0.000 2.019) 3.182 8.332 ( 6.112 0.000 0.331) 6.121 8.377 ( 1.594 0.000 -6.146) 6.349 8.383 ( 5.109 0.000 14.247) 15.135 8.559 ( -9.501 0.000 12.413) 15.632 8.748 ( 4.834 0.000 2.615) 5.496 8.938 ( -9.831 0.000 3.016) 10.283 9.093 ( 9.114 0.000 9.945) 13.490 9.271 ( -6.003 0.000 6.381) 8.761 9.423 ( 2.109 0.000 -7.323) 7.621 9.467 ( -1.407 0.000 -6.466) 6.617 9.905 ( 0.211 0.000 -9.143) 9.145 9.918 ( -1.020 0.000 4.636) 4.747 10.126 ( 10.543 0.000 -13.734) 17.314 10.227 ( 3.741 0.000 1.264) 3.949 10.306 ( -2.781 0.000 2.585) 3.797 10.410 ( -13.869 0.000 -11.996) 18.338 10.980 ( 9.930 0.000 -10.086) 14.154 11.158 ( -5.695 0.000 -8.883) 10.552 11.874 ( 0.506 0.000 4.891) 4.917 11.892 ( -1.027 0.000 5.449) 5.545 12.133 ( 1.390 0.000 -5.885) 6.047 12.187 ( -3.442 0.000 -2.142) 4.054 12.305 ( 5.560 0.000 -11.124) 12.436 12.333 ( 0.933 0.000 -1.003) 1.370 12.338 ( 1.026 0.000 -0.112) 1.032 12.435 ( -5.062 0.000 -10.007) 11.214 13.397 ( 7.422 0.000 12.721) 14.728 13.602 ( -9.699 0.000 12.219) 15.600 14.237 ( 2.350 0.000 -5.221) 5.725 14.322 ( -5.096 0.000 -3.550) 6.211 14.522 ( 9.321 0.000 -6.373) 11.292 14.575 ( 4.428 0.000 -0.273) 4.436 14.653 ( -2.452 0.000 0.618) 2.529 14.710 ( -6.364 0.000 -12.060) 13.636 16.381 ( 3.785 0.000 -10.392) 11.060 16.488 ( -5.008 0.000 -8.150) 9.566 16.495 ( 13.755 0.000 -11.486) 17.920 16.900 ( -20.860 0.000 -14.488) 25.398 17.855 ( 8.784 0.000 0.489) 8.798 18.066 ( -8.452 0.000 0.664) 8.478 18.111 ( 14.082 0.000 4.386) 14.749 18.274 ( -1.717 0.000 3.466) 3.868 19.264 ( 19.720 0.000 23.443) 30.635 20.028 ( -46.073 0.000 20.761) 50.535 20.383 ( 5.668 0.000 8.145) 9.923 20.520 ( -5.549 0.000 -2.061) 5.919 21.332 ( 4.773 0.000 15.195) 15.927 21.446 ( -4.566 0.000 7.254) 8.571 22.416 ( 34.028 0.000 -23.529) 41.371 22.961 ( -15.019 0.000 -27.485) 31.321 24.019 ( 7.700 0.000 7.352) 10.646 24.237 ( -10.782 0.000 8.320) 13.619 24.759 ( 7.310 0.000 12.083) 14.122 24.765 ( 11.093 0.000 -8.297) 13.853 24.888 ( -3.979 0.000 12.883) 13.484 25.089 ( -16.363 0.000 -12.057) 20.325 25.769 ( 8.463 0.000 -12.667) 15.234 25.902 ( -3.643 0.000 -10.872) 11.466 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.809 ( 0.000 4.834 25.013) 25.476 1.874 ( 0.000 8.083 2.711) 8.526 2.027 ( 0.000 4.001 27.031) 27.325 2.060 ( 0.000 9.088 5.128) 10.435 2.504 ( 0.000 -4.911 8.003) 9.390 2.557 ( 0.000 3.917 10.767) 11.457 2.835 ( 0.000 -2.535 -9.321) 9.659 2.900 ( 0.000 8.044 8.587) 11.766 2.939 ( 0.000 -2.571 -4.287) 4.999 3.016 ( 0.000 -0.251 2.271) 2.285 3.187 ( 0.000 -4.426 -3.127) 5.419 3.281 ( 0.000 -2.906 -3.620) 4.642 3.392 ( 0.000 1.107 -14.819) 14.860 3.407 ( 0.000 5.440 -4.039) 6.776 3.674 ( 0.000 9.420 27.212) 28.797 3.800 ( 0.000 -4.718 19.294) 19.863 3.884 ( 0.000 -5.167 -9.069) 10.438 4.017 ( 0.000 4.396 -24.826) 25.213 4.182 ( 0.000 -2.704 8.063) 8.505 4.296 ( 0.000 8.561 -10.063) 13.212 4.340 ( 0.000 0.366 -8.467) 8.474 4.613 ( 0.000 3.244 6.144) 6.948 4.835 ( 0.000 -11.870 16.924) 20.671 4.975 ( 0.000 -2.111 11.816) 12.003 5.093 ( 0.000 7.497 8.020) 10.978 5.205 ( 0.000 6.056 0.627) 6.089 5.457 ( 0.000 5.126 5.973) 7.871 5.552 ( 0.000 1.687 6.126) 6.354 5.604 ( 0.000 2.221 3.119) 3.829 5.634 ( 0.000 -1.448 -1.713) 2.243 5.813 ( 0.000 3.009 2.411) 3.856 5.958 ( 0.000 0.405 -9.145) 9.153 6.115 ( 0.000 2.051 3.353) 3.931 6.291 ( 0.000 -2.241 -3.974) 4.563 6.347 ( 0.000 0.137 8.489) 8.490 6.446 ( 0.000 -0.127 -5.304) 5.306 6.527 ( 0.000 1.197 -9.430) 9.506 6.584 ( 0.000 -3.122 -0.634) 3.186 6.723 ( 0.000 -4.469 -0.484) 4.495 6.733 ( 0.000 4.042 -0.980) 4.159 6.905 ( 0.000 -1.962 -0.583) 2.047 6.924 ( 0.000 2.830 -7.823) 8.319 7.067 ( 0.000 7.210 -1.752) 7.420 7.069 ( 0.000 2.592 -7.105) 7.563 7.228 ( 0.000 -8.187 -1.117) 8.263 7.689 ( 0.000 7.243 -0.202) 7.246 7.780 ( 0.000 -6.173 5.345) 8.165 7.826 ( 0.000 -0.268 5.676) 5.683 7.836 ( 0.000 4.900 5.975) 7.727 8.028 ( 0.000 4.467 -0.151) 4.470 8.216 ( 0.000 -0.569 2.087) 2.163 8.302 ( 0.000 1.069 -4.374) 4.502 8.346 ( 0.000 2.068 12.962) 13.126 8.657 ( 0.000 -2.099 7.160) 7.462 8.896 ( 0.000 -2.865 11.563) 11.912 8.896 ( 0.000 8.988 0.848) 9.028 8.965 ( 0.000 -5.238 7.757) 9.360 9.443 ( 0.000 2.161 -8.619) 8.886 9.458 ( 0.000 8.054 -0.850) 8.099 9.509 ( 0.000 4.097 -4.424) 6.029 9.816 ( 0.000 -4.427 -5.565) 7.111 9.962 ( 0.000 3.504 -6.026) 6.970 10.126 ( 0.000 6.828 -3.064) 7.484 10.155 ( 0.000 -1.786 0.031) 1.786 10.238 ( 0.000 -7.924 0.519) 7.941 10.706 ( 0.000 0.562 -8.246) 8.265 10.747 ( 0.000 -0.479 -9.578) 9.590 11.141 ( 0.000 -7.202 -7.885) 10.679 11.724 ( 0.000 -7.722 6.393) 10.024 11.784 ( 0.000 -6.012 6.768) 9.053 12.227 ( 0.000 -1.673 -3.234) 3.641 12.270 ( 0.000 -1.668 1.891) 2.522 12.308 ( 0.000 10.354 -5.967) 11.951 12.340 ( 0.000 3.599 -5.898) 6.909 12.419 ( 0.000 8.236 -6.686) 10.608 12.523 ( 0.000 1.748 -6.369) 6.604 13.345 ( 0.000 3.886 11.459) 12.100 13.691 ( 0.000 -2.831 7.329) 7.856 14.241 ( 0.000 1.768 -5.834) 6.096 14.345 ( 0.000 -4.091 -3.748) 5.548 14.416 ( 0.000 -5.414 -1.612) 5.649 14.420 ( 0.000 -0.683 -6.246) 6.284 14.606 ( 0.000 -6.225 -2.437) 6.685 14.749 ( 0.000 -3.780 -12.975) 13.514 16.296 ( 0.000 0.223 -9.154) 9.157 16.381 ( 0.000 0.748 -8.499) 8.532 16.652 ( 0.000 8.870 -8.557) 12.325 17.319 ( 0.000 6.658 -24.104) 25.007 17.549 ( 0.000 -15.481 3.123) 15.793 17.627 ( 0.000 -14.584 19.143) 24.065 18.125 ( 0.000 -1.982 -3.410) 3.944 18.437 ( 0.000 6.280 -2.510) 6.763 19.184 ( 0.000 10.232 21.834) 24.112 20.241 ( 0.000 -6.067 14.624) 15.832 20.499 ( 0.000 -8.969 0.474) 8.982 20.900 ( 0.000 -1.570 5.917) 6.122 21.210 ( 0.000 -4.504 15.200) 15.853 21.403 ( 0.000 -6.461 4.767) 8.029 21.696 ( 0.000 -0.284 -7.200) 7.206 22.906 ( 0.000 -16.540 -19.947) 25.912 24.107 ( 0.000 12.882 0.231) 12.884 24.391 ( 0.000 -8.999 4.018) 9.855 24.508 ( 0.000 6.921 3.242) 7.643 24.822 ( 0.000 -8.906 8.880) 12.577 24.896 ( 0.000 11.934 0.968) 11.973 25.388 ( 0.000 0.821 -8.961) 8.998 25.585 ( 0.000 -0.104 -12.406) 12.406 25.897 ( 0.000 -3.847 -9.534) 10.281 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.33 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -2.167 7.602 17.380) 19.093 1.823 ( -7.303 4.242 23.653) 25.115 1.972 ( 9.814 6.884 22.150) 25.186 2.280 ( -14.060 4.561 16.485) 22.141 2.424 ( 17.538 7.463 -0.548) 19.068 2.659 ( 6.231 -2.610 -0.177) 6.758 2.807 ( -4.057 -2.731 -4.132) 6.402 2.866 ( -0.680 0.716 -7.661) 7.725 2.935 ( -3.270 2.693 0.321) 4.248 3.003 ( -13.629 2.777 -3.678) 14.388 3.119 ( 5.061 2.700 -3.485) 6.712 3.216 ( -3.983 -1.190 -4.884) 6.414 3.309 ( 9.331 -7.553 8.619) 14.779 3.573 ( -9.841 -7.305 10.648) 16.235 3.712 ( 8.355 3.781 0.766) 9.202 3.821 ( 3.262 3.004 7.340) 8.575 3.935 ( 3.317 0.025 -12.017) 12.466 4.039 ( -5.704 2.094 -3.077) 6.812 4.064 ( 5.654 5.017 -10.783) 13.168 4.307 ( -8.614 8.345 -2.905) 12.340 4.464 ( 10.153 -3.473 9.760) 14.506 4.638 ( 6.072 3.101 4.634) 8.244 4.708 ( -9.201 -3.980 13.499) 16.814 4.842 ( -9.079 0.007 5.413) 10.570 5.170 ( 5.591 0.562 7.479) 9.355 5.251 ( -0.060 0.791 1.182) 1.424 5.453 ( 1.188 6.045 8.599) 10.578 5.519 ( -3.314 1.301 10.263) 10.863 5.602 ( 1.832 1.964 -0.834) 2.813 5.662 ( -2.152 -0.380 -3.442) 4.077 5.822 ( 6.552 3.704 -0.985) 7.591 6.018 ( -5.515 -0.847 -3.829) 6.767 6.142 ( 4.259 1.534 0.420) 4.547 6.199 ( 1.312 1.706 3.798) 4.365 6.305 ( -3.212 1.452 4.362) 5.608 6.387 ( -7.633 1.665 -3.680) 8.636 6.520 ( 4.502 -3.005 -2.866) 6.124 6.624 ( -3.045 -2.343 -7.372) 8.313 6.696 ( 2.990 1.149 -6.572) 7.312 6.807 ( -6.046 2.743 -7.197) 9.791 6.901 ( 8.386 -1.967 -2.229) 8.897 6.974 ( 1.376 -5.295 -5.073) 7.461 7.065 ( 0.745 3.173 -1.614) 3.637 7.090 ( -0.183 4.572 -2.800) 5.365 7.288 ( 6.612 -4.476 3.199) 8.602 7.519 ( -11.969 -3.666 6.857) 14.272 7.740 ( 1.616 8.963 -0.679) 9.133 7.806 ( -3.361 4.679 4.811) 7.506 7.949 ( 3.906 1.961 2.141) 4.867 8.008 ( -0.770 1.181 1.290) 1.911 8.272 ( 2.938 -2.942 2.946) 5.095 8.290 ( 0.485 -1.637 3.039) 3.486 8.451 ( 6.221 3.445 6.108) 9.374 8.603 ( -6.495 2.531 9.108) 11.469 8.756 ( 0.934 0.270 4.923) 5.018 8.874 ( -6.307 -4.703 7.175) 10.648 9.132 ( 9.771 4.144 3.206) 11.087 9.329 ( -7.482 4.413 -1.226) 8.773 9.485 ( 0.843 3.602 -6.468) 7.452 9.502 ( -0.637 4.036 -4.990) 6.450 9.862 ( 3.509 -2.494 -3.063) 5.284 9.946 ( -2.932 2.717 0.821) 4.080 10.113 ( 3.040 -2.081 -8.182) 8.973 10.198 ( -3.116 -6.340 -2.526) 7.502 10.285 ( 7.626 4.283 -0.885) 8.791 10.489 ( -10.274 4.042 -6.742) 12.937 10.939 ( 8.262 -3.695 -8.822) 12.639 11.087 ( -4.711 -6.149 -8.140) 11.237 11.739 ( 1.218 -7.470 6.633) 10.063 11.769 ( -1.228 -6.563 6.875) 9.583 12.215 ( -0.138 0.523 -2.383) 2.443 12.236 ( -1.750 0.382 0.470) 1.852 12.368 ( 2.293 5.313 -5.023) 7.662 12.376 ( 3.863 5.434 -8.052) 10.454 12.412 ( -0.682 6.409 -4.811) 8.043 12.477 ( -3.748 2.738 -6.715) 8.164 13.418 ( 6.156 2.564 10.927) 12.801 13.586 ( -7.693 -0.520 9.003) 11.854 14.237 ( 1.048 -0.347 -5.432) 5.543 14.298 ( -4.167 -2.502 -3.909) 6.238 14.488 ( 8.248 -3.025 -8.334) 12.109 14.522 ( 4.213 -4.028 -2.153) 6.214 14.585 ( -1.721 -5.932 -2.984) 6.860 14.678 ( -6.129 -3.611 -10.788) 12.922 16.370 ( 4.908 -0.107 -7.847) 9.256 16.437 ( 1.865 -1.276 -5.475) 5.923 16.646 ( 4.428 9.768 -12.638) 16.575 16.961 ( -19.738 5.400 -13.927) 24.753 17.646 ( 6.947 -15.557 4.044) 17.511 17.760 ( -0.102 -16.823 8.807) 18.989 18.228 ( 8.942 2.483 -6.195) 11.158 18.391 ( -4.369 4.912 -4.275) 7.842 19.366 ( 18.074 9.103 26.051) 32.987 20.018 ( -36.389 -1.145 22.632) 42.869 20.337 ( 5.869 -4.382 10.462) 12.771 20.521 ( -10.151 -0.064 2.658) 10.494 21.274 ( 6.228 -4.766 12.368) 14.645 21.413 ( -4.854 -2.939 6.171) 8.383 22.268 ( 30.439 -11.286 -17.887) 37.065 22.762 ( -13.551 -15.525 -20.833) 29.303 24.180 ( 6.081 12.061 1.180) 13.559 24.342 ( -6.918 6.847 3.286) 10.274 24.530 ( 6.506 -7.749 3.180) 10.606 24.722 ( -8.232 -10.579 6.094) 14.725 25.008 ( 7.964 10.324 0.200) 13.040 25.210 ( -9.901 6.525 -4.758) 12.777 25.734 ( 7.496 -2.977 -11.740) 14.244 25.858 ( -3.565 -3.821 -10.254) 11.509 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.937 ( 0.000 6.377 22.975) 23.844 2.030 ( 0.000 7.302 9.347) 11.861 2.240 ( 0.000 13.517 12.279) 18.261 2.286 ( 0.000 10.876 2.774) 11.224 2.477 ( 0.000 3.488 7.160) 7.964 2.635 ( 0.000 3.251 15.620) 15.954 2.791 ( 0.000 -1.068 -5.360) 5.465 2.889 ( 0.000 -1.005 -2.122) 2.348 3.009 ( 0.000 0.004 0.757) 0.757 3.027 ( 0.000 1.448 9.908) 10.013 3.150 ( 0.000 3.359 -7.319) 8.053 3.177 ( 0.000 -6.903 -0.894) 6.961 3.382 ( 0.000 -2.186 -8.785) 9.053 3.510 ( 0.000 3.515 -2.601) 4.373 3.623 ( 0.000 -10.643 17.790) 20.730 3.835 ( 0.000 -0.524 -16.889) 16.897 3.933 ( 0.000 13.205 18.203) 22.488 4.112 ( 0.000 -3.115 11.487) 11.902 4.140 ( 0.000 5.733 -16.797) 17.749 4.247 ( 0.000 -3.819 8.957) 9.737 4.523 ( 0.000 6.197 -20.499) 21.415 4.618 ( 0.000 -8.210 9.544) 12.589 4.723 ( 0.000 8.870 -5.802) 10.599 4.982 ( 0.000 2.843 15.862) 16.115 5.180 ( 0.000 -0.794 9.097) 9.131 5.304 ( 0.000 2.970 0.232) 2.980 5.550 ( 0.000 -1.315 -0.510) 1.410 5.577 ( 0.000 5.735 4.464) 7.267 5.612 ( 0.000 -0.144 1.073) 1.082 5.660 ( 0.000 1.589 -4.299) 4.584 5.895 ( 0.000 4.166 2.130) 4.679 5.955 ( 0.000 -1.263 -7.850) 7.951 6.189 ( 0.000 5.022 7.138) 8.728 6.193 ( 0.000 -4.859 0.445) 4.879 6.331 ( 0.000 -4.917 5.142) 7.115 6.441 ( 0.000 -1.203 0.083) 1.206 6.526 ( 0.000 1.939 1.291) 2.329 6.583 ( 0.000 2.996 -13.426) 13.756 6.749 ( 0.000 6.482 -3.965) 7.599 6.760 ( 0.000 -0.613 -1.848) 1.947 6.951 ( 0.000 4.248 -3.679) 5.619 6.958 ( 0.000 1.105 -2.696) 2.914 7.108 ( 0.000 -1.709 6.015) 6.253 7.165 ( 0.000 5.364 -4.191) 6.807 7.215 ( 0.000 6.600 -2.717) 7.137 7.619 ( 0.000 -8.123 9.700) 12.652 7.713 ( 0.000 -1.837 5.328) 5.636 7.831 ( 0.000 -6.249 6.500) 9.016 7.920 ( 0.000 6.360 -3.060) 7.058 8.090 ( 0.000 2.792 1.151) 3.020 8.289 ( 0.000 7.331 4.494) 8.599 8.367 ( 0.000 2.593 -2.119) 3.348 8.453 ( 0.000 6.299 9.268) 11.206 8.624 ( 0.000 -0.633 4.795) 4.837 8.816 ( 0.000 -3.971 10.554) 11.276 8.855 ( 0.000 -0.510 8.224) 8.240 9.144 ( 0.000 9.830 -6.092) 11.564 9.489 ( 0.000 2.821 -4.387) 5.216 9.561 ( 0.000 -1.150 -5.074) 5.203 9.608 ( 0.000 5.057 -7.721) 9.230 9.827 ( 0.000 5.856 -5.176) 7.816 10.016 ( 0.000 1.177 -7.590) 7.680 10.048 ( 0.000 -7.675 3.515) 8.441 10.131 ( 0.000 -0.941 0.511) 1.071 10.262 ( 0.000 6.181 2.555) 6.688 10.680 ( 0.000 -3.275 -5.425) 6.337 10.723 ( 0.000 -1.707 -4.597) 4.904 10.959 ( 0.000 -9.013 -6.498) 11.111 11.627 ( 0.000 -1.265 7.949) 8.049 11.736 ( 0.000 1.476 8.008) 8.143 12.152 ( 0.000 -5.499 1.900) 5.818 12.213 ( 0.000 -3.775 4.130) 5.596 12.430 ( 0.000 3.644 -5.242) 6.384 12.447 ( 0.000 2.447 -3.504) 4.274 12.513 ( 0.000 0.700 -4.348) 4.404 12.552 ( 0.000 0.864 -2.590) 2.730 13.467 ( 0.000 6.487 7.123) 9.634 13.712 ( 0.000 6.195 -3.568) 7.149 14.179 ( 0.000 -11.420 -1.025) 11.466 14.251 ( 0.000 -1.029 -7.180) 7.253 14.304 ( 0.000 -4.701 -10.435) 11.445 14.411 ( 0.000 0.029 -8.113) 8.113 14.482 ( 0.000 -4.144 -7.375) 8.460 14.610 ( 0.000 -9.064 -12.783) 15.671 16.352 ( 0.000 4.347 -4.781) 6.462 16.397 ( 0.000 2.179 -2.672) 3.448 16.897 ( 0.000 13.567 -10.670) 17.260 17.193 ( 0.000 -16.806 5.580) 17.708 17.298 ( 0.000 -15.674 17.560) 23.537 17.518 ( 0.000 11.793 -23.501) 26.294 18.029 ( 0.000 -7.492 -8.956) 11.676 18.469 ( 0.000 -2.740 -11.145) 11.477 19.475 ( 0.000 15.814 26.264) 30.658 20.090 ( 0.000 -7.360 19.785) 21.110 20.241 ( 0.000 -13.345 18.598) 22.890 20.765 ( 0.000 -11.365 20.689) 23.605 21.162 ( 0.000 0.587 -0.610) 0.847 21.319 ( 0.000 -1.683 1.361) 2.164 21.706 ( 0.000 1.655 -7.694) 7.870 22.535 ( 0.000 -17.380 -14.406) 22.574 24.224 ( 0.000 -3.239 4.769) 5.764 24.403 ( 0.000 10.504 -4.924) 11.601 24.563 ( 0.000 -7.226 1.841) 7.457 24.686 ( 0.000 1.643 -0.715) 1.792 25.119 ( 0.000 8.919 0.284) 8.924 25.383 ( 0.000 -1.253 -3.114) 3.357 25.579 ( 0.000 -0.458 -10.716) 10.726 25.799 ( 0.000 -4.957 -8.497) 9.837 ======================= Grid point 88 (36/60) ======================= q-point: ( 0.33 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.683 8.937 17.171) 19.370 2.021 ( -7.913 12.602 15.275) 21.325 2.148 ( 8.830 9.230 19.996) 23.728 2.373 ( -6.542 4.585 15.073) 17.060 2.568 ( 3.693 2.552 5.153) 6.834 2.675 ( 8.127 6.162 -0.736) 10.226 2.764 ( 0.259 -0.003 -4.016) 4.025 2.873 ( 0.344 0.252 -3.944) 3.967 2.958 ( -2.367 0.666 -0.522) 2.513 3.072 ( -6.725 -1.099 -3.693) 7.750 3.151 ( -2.203 0.387 -3.954) 4.542 3.161 ( -0.376 -2.927 1.853) 3.484 3.254 ( 4.264 3.636 2.056) 5.969 3.447 ( -8.231 -3.863 11.952) 15.018 3.708 ( 6.551 -5.141 -0.010) 8.327 3.819 ( -2.448 -2.858 -8.696) 9.476 3.987 ( 1.507 3.728 0.665) 4.076 4.045 ( -3.869 0.073 0.954) 3.985 4.214 ( 8.244 6.127 -5.203) 11.515 4.372 ( 5.080 0.280 6.112) 7.952 4.464 ( -0.916 1.251 -0.203) 1.564 4.661 ( -3.312 1.735 6.146) 7.194 4.768 ( 3.857 8.293 -5.057) 10.451 4.843 ( -6.170 0.380 11.301) 12.882 5.201 ( 0.675 0.142 8.187) 8.216 5.246 ( -3.571 0.179 2.001) 4.097 5.526 ( -0.962 -1.638 -0.505) 1.965 5.541 ( -1.694 2.072 2.105) 3.405 5.643 ( 2.098 1.883 -1.895) 3.397 5.678 ( -0.254 2.001 -2.773) 3.429 5.907 ( 3.694 3.256 -1.166) 5.061 6.014 ( -2.127 -0.288 -3.111) 3.779 6.150 ( 2.321 -2.005 1.216) 3.299 6.264 ( -0.107 3.704 8.827) 9.573 6.277 ( 0.639 -3.123 2.710) 4.184 6.411 ( -5.027 3.124 6.658) 8.908 6.521 ( 4.418 1.520 -6.508) 8.011 6.629 ( -1.114 0.443 -9.263) 9.340 6.725 ( 1.124 3.853 -4.361) 5.927 6.789 ( -1.589 -3.395 -4.432) 5.805 6.930 ( 0.563 2.129 -4.180) 4.724 6.952 ( -0.796 6.089 -3.079) 6.870 7.119 ( 1.153 2.010 2.772) 3.613 7.173 ( -1.967 3.389 1.242) 4.111 7.265 ( 7.148 1.153 -0.400) 7.252 7.460 ( -8.767 -2.499 3.752) 9.858 7.841 ( 1.586 -2.898 5.279) 6.228 7.864 ( 6.091 -5.713 7.397) 11.156 7.906 ( -0.696 6.350 -0.927) 6.455 8.018 ( -5.356 1.209 2.673) 6.106 8.296 ( 1.784 4.213 4.853) 6.669 8.349 ( -1.882 3.372 1.281) 4.068 8.548 ( 6.547 5.945 4.672) 10.002 8.654 ( 0.728 2.132 3.191) 3.906 8.759 ( -4.250 0.337 7.819) 8.906 8.788 ( -2.962 -2.264 9.769) 10.456 9.257 ( 7.770 6.749 -6.249) 12.040 9.430 ( -6.671 5.032 -7.983) 11.556 9.534 ( 0.826 0.850 -2.873) 3.108 9.578 ( -2.308 0.984 -4.519) 5.169 9.870 ( 3.754 3.555 -2.403) 5.701 9.978 ( -5.138 -1.975 2.326) 5.976 10.063 ( 2.797 -0.216 -5.003) 5.736 10.110 ( -1.372 -0.848 -2.257) 2.774 10.369 ( 7.470 3.290 0.318) 8.169 10.541 ( -7.429 0.758 -3.001) 8.048 10.839 ( 5.262 -5.328 -5.796) 9.469 10.931 ( -2.688 -7.911 -6.341) 10.489 11.641 ( 1.558 -1.528 7.849) 8.147 11.696 ( -2.882 -0.148 7.970) 8.476 12.169 ( 1.276 -4.122 2.402) 4.938 12.198 ( -1.175 -3.337 3.527) 4.996 12.456 ( 2.131 1.883 -4.393) 5.233 12.475 ( 1.884 2.891 -4.256) 5.479 12.501 ( -1.054 0.326 -3.394) 3.568 12.526 ( -2.060 2.415 -3.368) 4.628 13.515 ( 4.276 6.076 5.133) 9.030 13.637 ( -5.645 6.023 -0.118) 8.256 14.190 ( 0.725 -7.003 -3.617) 7.915 14.214 ( -1.622 -3.035 -6.106) 7.009 14.385 ( 4.740 -6.238 -12.395) 14.664 14.431 ( 0.818 -4.603 -7.816) 9.108 14.483 ( 0.803 -2.004 -7.566) 7.868 14.559 ( -4.213 -6.717 -11.298) 13.802 16.393 ( 2.925 2.005 -1.836) 3.994 16.426 ( 0.964 0.482 0.427) 1.159 16.891 ( 2.761 12.806 -14.429) 19.489 17.086 ( -12.298 3.649 -6.854) 14.544 17.311 ( 5.967 -14.380 6.288) 16.791 17.443 ( -5.055 -10.558 2.900) 12.059 18.213 ( 11.310 -3.471 -12.825) 17.448 18.409 ( -5.593 -2.868 -12.114) 13.647 19.602 ( 11.819 11.863 27.826) 32.477 19.976 ( -18.316 -2.674 26.445) 32.280 20.212 ( 8.682 -6.576 16.064) 19.408 20.495 ( -16.057 -3.092 14.363) 21.764 21.176 ( 6.867 -3.399 3.825) 8.564 21.335 ( -5.137 -4.013 3.016) 7.183 22.047 ( 21.245 -8.145 -12.115) 25.777 22.418 ( -10.795 -15.531 -14.390) 23.766 24.309 ( 6.861 -4.477 4.551) 9.372 24.429 ( 0.542 6.665 -2.732) 7.224 24.508 ( -2.835 -4.285 1.390) 5.323 24.587 ( -6.753 5.368 -2.749) 9.055 25.186 ( 5.020 6.547 -0.175) 8.252 25.306 ( -5.182 2.569 -1.794) 6.056 25.662 ( 5.273 -3.337 -10.058) 11.836 25.762 ( -3.255 -4.755 -9.015) 10.700 ======================= Grid point 90 (37/60) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.056 ( 0.000 5.085 16.725) 17.481 2.170 ( 0.000 3.986 8.879) 9.732 2.470 ( 0.000 7.263 3.400) 8.020 2.502 ( 0.000 10.319 5.820) 11.847 2.611 ( 0.000 5.182 -3.582) 6.299 2.720 ( 0.000 5.995 12.969) 14.287 2.805 ( 0.000 3.108 0.563) 3.158 2.900 ( 0.000 -2.408 -0.363) 2.435 3.005 ( 0.000 -2.118 5.966) 6.330 3.029 ( 0.000 1.203 3.596) 3.791 3.035 ( 0.000 -2.264 4.420) 4.967 3.283 ( 0.000 7.180 0.414) 7.192 3.331 ( 0.000 -0.992 2.233) 2.444 3.340 ( 0.000 -12.369 16.802) 20.864 3.581 ( 0.000 0.859 -3.098) 3.215 3.787 ( 0.000 -5.595 -16.442) 17.368 4.075 ( 0.000 -0.023 11.098) 11.099 4.128 ( 0.000 -2.959 -1.430) 3.287 4.187 ( 0.000 9.246 1.833) 9.426 4.275 ( 0.000 2.543 -5.756) 6.293 4.486 ( 0.000 -3.802 7.455) 8.368 4.559 ( 0.000 -1.295 -4.632) 4.810 4.963 ( 0.000 11.214 -5.523) 12.500 5.122 ( 0.000 11.109 -0.632) 11.127 5.157 ( 0.000 0.913 8.952) 8.998 5.320 ( 0.000 -1.577 0.991) 1.863 5.419 ( 0.000 -9.273 -7.760) 12.091 5.598 ( 0.000 -4.968 -8.367) 9.731 5.633 ( 0.000 2.006 3.691) 4.201 5.712 ( 0.000 1.291 3.477) 3.709 5.904 ( 0.000 -2.557 -3.119) 4.034 5.941 ( 0.000 -0.741 1.642) 1.801 6.125 ( 0.000 -1.556 -3.582) 3.905 6.163 ( 0.000 -5.522 -4.788) 7.309 6.357 ( 0.000 7.324 15.422) 17.072 6.437 ( 0.000 0.765 6.812) 6.855 6.629 ( 0.000 1.737 -10.462) 10.605 6.645 ( 0.000 6.426 0.851) 6.482 6.737 ( 0.000 -0.662 -1.698) 1.823 6.873 ( 0.000 2.436 -4.122) 4.788 7.002 ( 0.000 3.133 -0.968) 3.279 7.013 ( 0.000 1.701 -3.301) 3.713 7.125 ( 0.000 3.132 6.745) 7.437 7.315 ( 0.000 0.458 -1.069) 1.163 7.320 ( 0.000 8.306 1.416) 8.425 7.481 ( 0.000 -2.546 8.335) 8.715 7.667 ( 0.000 -2.772 3.201) 4.234 7.668 ( 0.000 -7.394 8.334) 11.142 8.046 ( 0.000 5.897 -3.890) 7.065 8.202 ( 0.000 7.829 2.726) 8.290 8.309 ( 0.000 -4.601 -4.060) 6.137 8.435 ( 0.000 1.773 16.183) 16.279 8.547 ( 0.000 2.124 7.733) 8.019 8.596 ( 0.000 -2.456 3.724) 4.461 8.847 ( 0.000 5.479 -1.022) 5.574 8.875 ( 0.000 2.024 3.669) 4.190 9.294 ( 0.000 4.378 -6.756) 8.050 9.489 ( 0.000 -4.370 -0.102) 4.371 9.565 ( 0.000 3.407 -5.569) 6.528 9.651 ( 0.000 -0.320 -7.501) 7.508 9.943 ( 0.000 -1.788 2.030) 2.705 9.966 ( 0.000 3.657 -3.849) 5.309 10.034 ( 0.000 2.843 -7.800) 8.302 10.145 ( 0.000 1.559 1.136) 1.929 10.387 ( 0.000 5.554 3.843) 6.753 10.581 ( 0.000 -5.228 -2.276) 5.702 10.686 ( 0.000 -1.395 0.051) 1.396 10.790 ( 0.000 -6.664 -4.101) 7.825 11.663 ( 0.000 4.424 8.315) 9.419 11.821 ( 0.000 5.882 7.225) 9.317 11.994 ( 0.000 -9.013 6.132) 10.901 12.108 ( 0.000 -6.129 5.824) 8.455 12.452 ( 0.000 -0.583 -1.065) 1.214 12.472 ( 0.000 0.359 -2.539) 2.565 12.501 ( 0.000 -0.470 -0.902) 1.017 12.552 ( 0.000 -1.047 -0.353) 1.105 13.598 ( 0.000 6.103 1.268) 6.234 13.908 ( 0.000 10.211 -10.961) 14.980 13.926 ( 0.000 -11.170 -1.315) 11.247 14.210 ( 0.000 -4.321 -14.764) 15.384 14.220 ( 0.000 -1.030 -10.680) 10.730 14.399 ( 0.000 -9.716 -13.968) 17.015 14.417 ( 0.000 0.305 -8.657) 8.662 14.435 ( 0.000 -1.043 -8.892) 8.953 16.439 ( 0.000 5.228 0.958) 5.315 16.524 ( 0.000 8.548 3.146) 9.109 16.862 ( 0.000 -14.194 5.265) 15.139 16.987 ( 0.000 -13.494 14.911) 20.110 17.205 ( 0.000 15.163 -12.816) 19.854 17.800 ( 0.000 14.382 -22.585) 26.776 17.816 ( 0.000 -12.330 -12.665) 17.676 18.341 ( 0.000 -9.038 -16.650) 18.945 19.810 ( 0.000 15.266 25.251) 29.507 19.958 ( 0.000 -4.633 24.818) 25.247 20.011 ( 0.000 -7.289 28.364) 29.286 20.473 ( 0.000 -15.108 24.805) 29.044 21.202 ( 0.000 2.493 -4.649) 5.275 21.293 ( 0.000 -1.349 -1.689) 2.162 21.780 ( 0.000 5.562 -8.445) 10.113 22.198 ( 0.000 -14.131 -11.446) 18.185 24.193 ( 0.000 0.582 5.272) 5.304 24.379 ( 0.000 -7.964 3.833) 8.839 24.592 ( 0.000 6.960 -7.662) 10.351 24.728 ( 0.000 0.487 -7.400) 7.416 25.267 ( 0.000 4.920 0.093) 4.921 25.352 ( 0.000 -1.327 -0.260) 1.352 25.575 ( 0.000 0.522 -9.008) 9.023 25.698 ( 0.000 -4.478 -7.764) 8.963 ======================= Grid point 91 (38/60) ======================= q-point: ( 0.33 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 3.958 6.364 12.974) 14.983 2.201 ( -2.084 2.851 8.448) 9.156 2.371 ( 0.859 10.819 9.030) 14.119 2.509 ( -6.901 5.565 10.666) 13.869 2.611 ( 6.333 6.259 7.371) 11.559 2.784 ( -5.542 4.853 8.306) 11.102 2.853 ( 7.698 4.014 -2.172) 8.950 2.888 ( -0.453 1.928 -0.362) 2.013 2.967 ( -0.655 -2.076 -0.366) 2.207 2.987 ( -0.985 -2.012 -1.602) 2.754 3.082 ( 2.589 -2.942 5.619) 6.850 3.194 ( -7.255 0.510 1.479) 7.422 3.333 ( 2.405 1.329 6.761) 7.298 3.398 ( -0.548 -1.721 10.071) 10.232 3.569 ( 2.805 -4.757 -5.072) 7.498 3.705 ( -6.707 -6.733 -9.780) 13.637 4.025 ( 0.923 -1.859 3.077) 3.712 4.077 ( -2.594 4.207 1.455) 5.153 4.262 ( 2.249 0.614 -3.141) 3.911 4.383 ( -6.751 -4.073 1.060) 7.955 4.495 ( 17.595 5.036 3.818) 18.695 4.746 ( 11.252 1.943 -1.640) 11.535 4.869 ( -13.039 5.233 5.799) 15.200 4.960 ( -7.322 7.652 -5.186) 11.792 5.204 ( 2.888 2.760 2.787) 4.871 5.287 ( -3.039 2.891 0.655) 4.245 5.436 ( 2.318 -6.388 -6.045) 9.095 5.532 ( -4.967 -2.778 -2.341) 6.154 5.670 ( 4.005 0.233 -3.218) 5.143 5.737 ( -0.796 2.550 0.190) 2.678 5.919 ( 2.943 -1.912 -0.604) 3.561 5.981 ( -0.180 -2.623 0.704) 2.722 6.097 ( -0.290 -1.694 0.180) 1.728 6.142 ( -2.480 -5.493 -2.043) 6.363 6.401 ( 4.620 3.964 10.283) 11.950 6.477 ( 0.873 2.615 5.027) 5.733 6.602 ( -1.126 5.716 0.908) 5.896 6.635 ( -0.927 2.254 -3.942) 4.635 6.744 ( 0.520 -1.177 -2.985) 3.250 6.809 ( -4.322 1.858 -3.287) 5.739 7.019 ( 2.667 4.690 -2.486) 5.941 7.056 ( 1.112 2.792 -1.401) 3.316 7.152 ( 2.106 1.272 4.557) 5.179 7.226 ( -4.244 0.820 2.778) 5.138 7.333 ( 0.554 4.831 -2.264) 5.364 7.412 ( -4.510 -1.300 1.550) 4.943 7.722 ( 5.628 -5.172 7.720) 10.864 7.782 ( 3.677 -2.137 7.872) 8.947 8.008 ( -1.002 3.349 -0.662) 3.558 8.105 ( -6.890 4.847 -0.409) 8.434 8.350 ( 1.784 -0.362 3.468) 3.916 8.378 ( -1.434 0.815 11.647) 11.763 8.650 ( 5.963 2.019 6.214) 8.846 8.682 ( 6.297 0.911 0.318) 6.371 8.788 ( -5.410 3.414 -1.303) 6.528 8.811 ( -4.628 2.748 4.397) 6.951 9.375 ( 6.456 3.412 -6.691) 9.904 9.503 ( 1.188 -3.663 0.994) 3.977 9.532 ( -4.101 3.729 -6.751) 8.735 9.555 ( -5.160 -0.808 -5.452) 7.549 9.930 ( 0.328 -0.504 1.939) 2.030 9.953 ( -1.197 2.157 -0.180) 2.473 10.093 ( 3.404 3.290 -5.928) 7.587 10.154 ( -1.246 2.852 -4.551) 5.513 10.428 ( 4.401 2.372 2.851) 5.755 10.531 ( -3.708 -1.221 0.199) 3.909 10.734 ( 2.590 -4.087 -2.322) 5.367 10.778 ( -1.236 -6.127 -3.934) 7.385 11.663 ( 1.187 3.046 8.212) 8.839 11.740 ( -5.043 3.408 8.052) 10.093 12.053 ( 3.395 -6.147 5.701) 9.045 12.104 ( -0.920 -5.227 6.064) 8.058 12.454 ( 0.710 -0.787 -1.503) 1.839 12.479 ( -1.384 -0.974 -1.059) 1.996 12.510 ( 2.319 0.240 -1.518) 2.782 12.549 ( -0.812 -0.263 -0.818) 1.183 13.643 ( 4.316 5.283 -0.128) 6.823 13.783 ( -7.296 4.737 -4.732) 9.903 14.022 ( 5.677 -5.468 -5.856) 9.820 14.146 ( -4.818 -3.094 -8.886) 10.571 14.273 ( 3.478 -3.960 -15.378) 16.256 14.348 ( -3.156 -3.692 -13.435) 14.286 14.445 ( 1.753 -3.148 -10.508) 11.108 14.461 ( 0.532 -0.576 -10.084) 10.114 16.435 ( 0.043 2.075 4.766) 5.199 16.466 ( -2.976 2.632 6.587) 7.693 16.963 ( 6.878 -8.826 4.720) 12.144 17.059 ( 2.404 -8.169 10.903) 13.834 17.193 ( 2.241 11.633 -14.933) 19.062 17.430 ( -15.725 4.555 -15.530) 22.566 18.122 ( 11.001 -3.454 -17.765) 21.179 18.294 ( -4.524 -7.355 -17.021) 19.086 19.813 ( 2.143 6.651 26.549) 27.454 19.917 ( -6.270 -2.473 27.763) 28.569 20.117 ( 11.592 -0.557 23.532) 26.238 20.381 ( -9.475 -7.286 24.367) 27.140 21.149 ( 1.505 0.608 -3.955) 4.275 21.255 ( -5.131 -3.398 -1.248) 6.279 21.944 ( 10.741 -1.711 -9.832) 14.662 22.138 ( -5.695 -10.553 -11.069) 16.320 24.242 ( 3.982 -1.363 5.043) 6.568 24.336 ( -3.605 -5.644 4.335) 7.978 24.618 ( 2.232 5.576 -7.558) 9.654 24.684 ( -3.218 2.579 -7.500) 8.559 25.292 ( 1.859 3.518 0.064) 3.980 25.333 ( -1.534 0.458 -0.153) 1.609 25.609 ( 2.674 -1.424 -8.748) 9.258 25.671 ( -2.341 -3.746 -8.115) 9.239 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.000 -3.918 10.578) 11.280 2.158 ( 0.000 3.918 10.578) 11.280 2.599 ( 0.000 -4.715 -0.441) 4.735 2.599 ( 0.000 4.715 -0.441) 4.735 2.727 ( 0.000 -10.286 1.144) 10.349 2.727 ( 0.000 10.286 1.144) 10.349 2.865 ( 0.000 -4.318 5.017) 6.619 2.865 ( 0.000 4.318 5.017) 6.619 2.969 ( 0.000 -3.207 9.025) 9.578 2.969 ( 0.000 3.207 9.025) 9.578 3.129 ( 0.000 -6.141 4.774) 7.779 3.129 ( 0.000 6.141 4.774) 7.779 3.382 ( 0.000 -1.748 12.583) 12.704 3.382 ( 0.000 1.748 12.583) 12.704 3.621 ( 0.000 -6.551 -9.516) 11.553 3.621 ( 0.000 6.551 -9.516) 11.553 4.094 ( 0.000 -0.175 2.685) 2.690 4.094 ( 0.000 0.175 2.685) 2.690 4.284 ( 0.000 -1.142 -13.295) 13.344 4.284 ( 0.000 1.142 -13.295) 13.344 4.496 ( 0.000 -2.334 11.545) 11.779 4.496 ( 0.000 2.335 11.545) 11.779 5.195 ( 0.000 -11.012 -8.910) 14.165 5.195 ( 0.000 11.012 -8.910) 14.165 5.232 ( 0.000 -4.420 8.304) 9.407 5.232 ( 0.000 4.420 8.304) 9.407 5.405 ( 0.000 -12.043 -12.163) 17.116 5.405 ( 0.000 12.043 -12.163) 17.116 5.686 ( 0.000 -1.750 4.408) 4.743 5.686 ( 0.000 1.750 4.408) 4.743 5.894 ( 0.000 -1.490 1.332) 1.999 5.894 ( 0.000 1.490 1.332) 1.999 6.112 ( 0.000 -0.236 -6.106) 6.110 6.112 ( 0.000 0.236 -6.106) 6.110 6.446 ( 0.000 -0.300 11.833) 11.837 6.446 ( 0.000 0.300 11.833) 11.837 6.668 ( 0.000 -1.340 -7.225) 7.348 6.668 ( 0.000 1.340 -7.225) 7.348 6.830 ( 0.000 -5.897 1.510) 6.088 6.830 ( 0.000 5.897 1.510) 6.088 7.038 ( 0.000 -0.117 -1.466) 1.471 7.038 ( 0.000 0.117 -1.466) 1.471 7.221 ( 0.000 -5.643 6.572) 8.662 7.221 ( 0.000 5.643 6.572) 8.662 7.472 ( 0.000 -4.459 0.320) 4.470 7.472 ( 0.000 4.459 0.320) 4.470 7.595 ( 0.000 -1.681 6.507) 6.721 7.595 ( 0.000 1.681 6.507) 6.721 8.180 ( 0.000 -6.052 -3.728) 7.108 8.180 ( 0.000 6.052 -3.728) 7.108 8.377 ( 0.000 -6.717 8.312) 10.687 8.377 ( 0.000 6.717 8.312) 10.687 8.562 ( 0.000 -0.283 6.707) 6.713 8.562 ( 0.000 0.283 6.707) 6.713 8.912 ( 0.000 -0.269 -2.283) 2.299 8.912 ( 0.000 0.269 -2.283) 2.299 9.382 ( 0.000 -5.020 -1.341) 5.196 9.382 ( 0.000 5.020 -1.341) 5.196 9.626 ( 0.000 -1.947 -4.425) 4.834 9.626 ( 0.000 1.947 -4.425) 4.834 9.953 ( 0.000 -1.576 -1.909) 2.475 9.953 ( 0.000 1.576 -1.909) 2.475 10.135 ( 0.000 -3.455 -4.788) 5.905 10.135 ( 0.000 3.455 -4.788) 5.905 10.487 ( 0.000 -3.643 2.724) 4.548 10.487 ( 0.000 3.643 2.724) 4.548 10.689 ( 0.000 -2.394 -1.017) 2.601 10.689 ( 0.000 2.394 -1.017) 2.601 11.802 ( 0.000 -8.006 8.107) 11.394 11.802 ( 0.000 8.006 8.107) 11.394 11.963 ( 0.000 -6.858 6.871) 9.708 11.963 ( 0.000 6.858 6.872) 9.708 12.457 ( 0.000 -0.908 -1.309) 1.593 12.457 ( 0.000 0.908 -1.309) 1.593 12.517 ( 0.000 -1.544 0.269) 1.568 12.517 ( 0.000 1.544 0.269) 1.568 13.733 ( 0.000 -6.958 -1.016) 7.032 13.733 ( 0.000 6.959 -1.016) 7.032 14.096 ( 0.000 -6.508 -14.421) 15.822 14.096 ( 0.000 6.508 -14.421) 15.822 14.244 ( 0.000 -3.347 -13.210) 13.627 14.244 ( 0.000 3.347 -13.210) 13.627 14.423 ( 0.000 -0.093 -9.232) 9.233 14.423 ( 0.000 0.093 -9.232) 9.233 16.602 ( 0.000 -9.678 4.001) 10.472 16.602 ( 0.000 9.678 4.001) 10.472 16.730 ( 0.000 -9.949 9.763) 13.939 16.730 ( 0.000 9.949 9.763) 13.939 17.525 ( 0.000 -14.737 -13.920) 20.272 17.525 ( 0.000 14.738 -13.920) 20.272 18.100 ( 0.000 -13.315 -20.523) 24.464 18.100 ( 0.000 13.315 -20.523) 24.464 19.911 ( 0.000 -0.297 27.183) 27.185 19.911 ( 0.000 0.297 27.183) 27.185 20.150 ( 0.000 -15.158 26.611) 30.625 20.150 ( 0.000 15.158 26.611) 30.625 21.254 ( 0.000 -2.120 -3.977) 4.507 21.254 ( 0.000 2.120 -3.977) 4.507 21.943 ( 0.000 -9.837 -9.509) 13.682 21.943 ( 0.000 9.837 -9.509) 13.682 24.247 ( 0.000 -4.464 4.670) 6.460 24.247 ( 0.000 4.464 4.670) 6.460 24.699 ( 0.000 -3.177 -8.604) 9.172 24.699 ( 0.000 3.177 -8.604) 9.172 25.328 ( 0.000 -1.324 0.288) 1.355 25.328 ( 0.000 1.324 0.288) 1.355 25.615 ( 0.000 -3.200 -7.915) 8.538 25.615 ( 0.000 3.200 -7.915) 8.538 ======================= Grid point 95 (40/60) ======================= q-point: ( 0.33 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.498 0.000 8.466) 8.827 2.205 ( 1.220 0.000 9.435) 9.514 2.517 ( -3.621 0.000 0.516) 3.658 2.525 ( -3.251 -0.000 4.296) 5.388 2.794 ( 4.107 -0.000 2.170) 4.645 2.844 ( 6.532 -0.000 -3.082) 7.222 2.874 ( 1.620 0.000 5.168) 5.416 2.894 ( -3.511 0.000 9.031) 9.690 2.953 ( 1.459 -0.000 19.274) 19.329 2.987 ( -1.547 0.000 3.681) 3.993 3.026 ( 1.527 -0.000 -3.160) 3.510 3.202 ( -5.085 -0.000 9.382) 10.672 3.277 ( 1.065 0.000 10.887) 10.939 3.393 ( -3.194 0.000 9.900) 10.403 3.541 ( -0.762 0.000 -12.048) 12.072 3.620 ( -4.718 0.000 -14.177) 14.941 3.984 ( 5.183 -0.000 3.829) 6.444 4.156 ( -6.002 -0.000 2.884) 6.659 4.278 ( -0.584 0.000 -4.119) 4.160 4.298 ( -3.229 0.000 3.614) 4.846 4.555 ( 16.499 -0.000 -3.021) 16.773 4.744 ( 10.518 0.000 8.981) 13.830 4.973 ( -13.476 0.000 -7.218) 15.287 5.053 ( -10.793 0.000 1.925) 10.964 5.275 ( 4.921 -0.000 -10.011) 11.155 5.314 ( 5.437 0.000 0.289) 5.445 5.373 ( -2.146 0.000 -8.109) 8.388 5.447 ( -4.710 0.000 -0.961) 4.807 5.664 ( 5.616 0.000 -2.029) 5.971 5.764 ( -0.922 0.000 1.102) 1.437 5.888 ( 2.430 0.000 0.756) 2.545 5.942 ( -0.115 0.000 2.852) 2.854 6.082 ( -1.352 -0.005 -3.149) 3.427 6.082 ( -1.655 0.005 -0.101) 1.658 6.427 ( 3.167 0.000 7.999) 8.603 6.511 ( -2.313 0.000 2.396) 3.330 6.654 ( 5.238 -0.000 -0.960) 5.325 6.709 ( -0.233 0.000 -1.498) 1.516 6.759 ( -4.028 0.000 2.590) 4.789 6.791 ( -4.088 0.000 0.193) 4.092 7.071 ( 3.037 0.000 -1.168) 3.254 7.083 ( 2.247 0.000 -0.114) 2.250 7.171 ( -0.062 -0.000 5.274) 5.275 7.213 ( -2.552 -0.000 4.459) 5.137 7.405 ( -3.228 -0.001 -2.601) 4.145 7.405 ( -4.201 0.001 -1.637) 4.509 7.667 ( 8.741 0.000 8.577) 12.246 7.764 ( 4.095 0.000 7.481) 8.528 8.045 ( -2.604 0.000 -1.156) 2.849 8.161 ( -8.743 0.000 -4.077) 9.647 8.339 ( 3.026 0.000 9.309) 9.788 8.382 ( -1.056 0.000 11.753) 11.800 8.675 ( 7.100 -0.000 11.758) 13.735 8.680 ( 7.722 0.000 -4.982) 9.189 8.837 ( -5.587 -0.000 2.382) 6.074 8.851 ( -5.618 0.000 -10.213) 11.657 9.419 ( 2.945 0.000 1.607) 3.355 9.422 ( 2.505 -0.000 3.091) 3.978 9.557 ( -3.171 0.000 -5.315) 6.189 9.580 ( -4.352 0.000 -9.170) 10.151 9.932 ( 1.181 0.000 1.805) 2.157 9.970 ( -1.233 0.000 1.044) 1.615 10.155 ( 1.665 -0.000 -5.556) 5.800 10.177 ( 0.677 0.000 -9.639) 9.662 10.459 ( 2.003 0.000 4.156) 4.614 10.515 ( -1.099 -0.000 1.032) 1.508 10.694 ( 0.100 0.000 -1.193) 1.198 10.694 ( 0.200 -0.000 -1.476) 1.490 11.720 ( -0.510 0.000 8.179) 8.195 11.788 ( -5.320 -0.000 9.165) 10.597 11.972 ( 4.242 0.000 6.110) 7.438 12.025 ( 0.184 0.000 7.440) 7.442 12.448 ( 0.506 0.000 -1.395) 1.484 12.473 ( -1.636 0.000 -0.509) 1.713 12.505 ( 2.229 -0.000 -0.635) 2.318 12.538 ( -0.283 -0.000 0.110) 0.303 13.712 ( 2.126 0.000 -0.735) 2.250 13.787 ( -1.769 0.000 -2.695) 3.224 14.007 ( 1.336 0.000 -10.617) 10.701 14.112 ( -5.903 0.000 -11.272) 12.724 14.224 ( 4.472 0.000 -15.841) 16.461 14.298 ( -1.666 0.000 -14.317) 14.414 14.417 ( 2.475 0.000 -10.759) 11.040 14.455 ( -0.039 0.000 -10.728) 10.728 16.469 ( -3.048 0.000 8.340) 8.880 16.499 ( -5.744 0.000 9.828) 11.384 16.852 ( 10.339 -0.000 4.914) 11.447 16.956 ( 5.408 -0.000 10.151) 11.502 17.383 ( -5.304 -0.000 -18.032) 18.796 17.449 ( -7.022 0.000 -14.227) 15.865 18.132 ( 2.481 -0.000 -19.665) 19.821 18.149 ( 1.469 0.000 -19.607) 19.662 19.869 ( -0.948 -0.000 26.222) 26.239 19.887 ( -2.220 0.000 26.019) 26.114 20.198 ( 4.164 -0.000 26.976) 27.296 20.227 ( 2.362 0.000 28.403) 28.501 21.173 ( -2.631 -0.000 -5.625) 6.210 21.205 ( -4.424 0.000 -3.855) 5.868 21.960 ( 2.634 0.000 -9.824) 10.171 21.992 ( 0.725 -0.000 -9.252) 9.280 24.249 ( 0.448 -0.000 4.748) 4.769 24.255 ( 0.150 0.000 4.785) 4.788 24.687 ( 0.028 0.000 -8.345) 8.345 24.699 ( -0.660 0.000 -8.559) 8.585 25.333 ( 0.371 0.000 0.355) 0.514 25.335 ( 0.277 0.000 0.179) 0.330 25.607 ( -0.015 -0.000 -8.050) 8.050 25.615 ( -0.406 0.000 -8.050) 8.060 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 0.000 17.121) 17.121 2.090 ( 0.000 0.000 6.677) 6.677 2.134 ( 0.000 0.000 12.444) 12.444 2.538 ( 0.000 0.000 24.120) 24.120 2.578 ( 0.000 0.000 -0.443) 0.443 2.617 ( 0.000 0.000 -0.394) 0.394 2.661 ( 0.000 0.000 -5.450) 5.450 2.869 ( 0.000 0.000 -6.803) 6.803 2.880 ( 0.000 0.000 -0.624) 0.624 2.980 ( 0.000 0.000 -10.094) 10.094 3.132 ( 0.000 0.000 -9.108) 9.108 3.183 ( 0.000 0.000 -0.783) 0.783 3.254 ( 0.000 0.000 -4.718) 4.718 3.343 ( 0.000 0.000 -25.244) 25.244 3.517 ( 0.000 0.000 17.368) 17.368 3.729 ( 0.000 0.000 -13.247) 13.247 3.816 ( 0.000 0.000 -12.959) 12.959 3.972 ( 0.000 0.000 5.145) 5.145 4.199 ( 0.000 0.000 15.447) 15.447 4.321 ( 0.000 0.000 8.124) 8.124 4.565 ( 0.000 0.000 14.727) 14.727 4.762 ( 0.000 0.000 4.308) 4.308 5.135 ( 0.000 0.000 8.318) 8.318 5.198 ( 0.000 0.000 11.845) 11.845 5.237 ( 0.000 0.000 6.000) 6.000 5.302 ( 0.000 0.000 0.604) 0.604 5.409 ( 0.000 0.000 5.620) 5.620 5.620 ( 0.000 0.000 -0.622) 0.622 5.622 ( 0.000 0.000 -7.647) 7.647 5.659 ( 0.000 0.000 17.469) 17.469 5.783 ( 0.000 0.000 -8.500) 8.500 6.002 ( 0.000 0.000 15.447) 15.447 6.109 ( 0.000 0.000 -7.139) 7.139 6.137 ( 0.000 0.000 1.545) 1.545 6.227 ( 0.000 0.000 -12.573) 12.573 6.399 ( 0.000 0.000 -2.783) 2.783 6.593 ( 0.000 0.000 1.441) 1.441 6.619 ( 0.000 0.000 -2.800) 2.800 6.630 ( 0.000 0.000 -3.673) 3.673 6.649 ( 0.000 0.000 -7.227) 7.227 6.838 ( 0.000 0.000 -1.438) 1.438 6.876 ( 0.000 0.000 -2.813) 2.813 6.916 ( 0.000 0.000 -1.826) 1.826 6.916 ( 0.000 0.000 -5.018) 5.018 7.337 ( 0.000 0.000 0.042) 0.042 7.458 ( 0.000 0.000 -3.731) 3.731 7.826 ( 0.000 0.000 4.002) 4.002 7.984 ( 0.000 0.000 4.199) 4.199 7.993 ( 0.000 0.000 6.696) 6.696 7.993 ( 0.000 0.000 1.865) 1.865 8.100 ( 0.000 0.000 -8.595) 8.595 8.230 ( 0.000 0.000 -5.206) 5.206 8.656 ( 0.000 0.000 17.982) 17.982 8.784 ( 0.000 0.000 4.409) 4.409 8.861 ( 0.000 0.000 3.474) 3.474 9.166 ( 0.000 0.000 9.752) 9.752 9.179 ( 0.000 0.000 5.604) 5.604 9.232 ( 0.000 0.000 -9.291) 9.291 9.358 ( 0.000 0.000 -2.370) 2.370 9.376 ( 0.000 0.000 -3.766) 3.766 9.663 ( 0.000 0.000 -8.890) 8.890 9.714 ( 0.000 0.000 -12.427) 12.427 10.121 ( 0.000 0.000 7.601) 7.601 10.191 ( 0.000 0.000 3.705) 3.705 10.463 ( 0.000 0.000 10.458) 10.458 10.482 ( 0.000 0.000 -9.871) 9.871 10.516 ( 0.000 0.000 -12.428) 12.428 11.005 ( 0.000 0.000 -13.656) 13.656 11.878 ( 0.000 0.000 -0.182) 0.182 11.979 ( 0.000 0.000 -6.033) 6.033 12.055 ( 0.000 0.000 6.761) 6.761 12.097 ( 0.000 0.000 -2.160) 2.160 12.216 ( 0.000 0.000 -2.777) 2.777 12.243 ( 0.000 0.000 -5.844) 5.844 12.317 ( 0.000 0.000 0.176) 0.176 12.362 ( 0.000 0.000 -4.508) 4.508 13.569 ( 0.000 0.000 13.888) 13.888 13.967 ( 0.000 0.000 11.441) 11.441 14.057 ( 0.000 0.000 -9.844) 9.844 14.321 ( 0.000 0.000 -6.436) 6.436 14.384 ( 0.000 0.000 2.291) 2.291 14.476 ( 0.000 0.000 -1.152) 1.152 14.595 ( 0.000 0.000 -4.537) 4.537 14.660 ( 0.000 0.000 -2.978) 2.978 16.177 ( 0.000 0.000 -5.228) 5.228 16.178 ( 0.000 0.000 -5.010) 5.010 16.473 ( 0.000 0.000 -0.661) 0.661 16.826 ( 0.000 0.000 -18.368) 18.368 17.770 ( 0.000 0.000 2.661) 2.661 17.920 ( 0.000 0.000 -2.167) 2.167 18.198 ( 0.000 0.000 2.314) 2.314 18.319 ( 0.000 0.000 -1.998) 1.998 19.563 ( 0.000 0.000 28.208) 28.208 20.374 ( 0.000 0.000 -13.462) 13.462 20.548 ( 0.000 0.000 11.532) 11.532 20.869 ( 0.000 0.000 -4.074) 4.074 21.554 ( 0.000 0.000 0.983) 0.983 21.588 ( 0.000 0.000 -3.527) 3.527 21.680 ( 0.000 0.000 21.140) 21.140 22.596 ( 0.000 0.000 -26.525) 26.525 24.089 ( 0.000 0.000 9.371) 9.371 24.477 ( 0.000 0.000 -9.459) 9.459 24.610 ( 0.000 0.000 11.033) 11.033 24.852 ( 0.000 0.000 12.025) 12.025 25.096 ( 0.000 0.000 -13.707) 13.707 25.197 ( 0.000 0.000 13.821) 13.821 25.334 ( 0.000 0.000 -12.741) 12.741 25.720 ( 0.000 0.000 -12.496) 12.496 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.025 ( 4.821 0.000 18.375) 18.997 2.138 ( -1.405 0.000 9.130) 9.237 2.223 ( 7.619 0.000 10.204) 12.735 2.434 ( 2.995 0.000 10.967) 11.368 2.436 ( -9.933 0.000 3.955) 10.691 2.667 ( -10.938 0.000 0.128) 10.939 2.688 ( 1.576 0.000 -7.131) 7.303 2.752 ( -4.424 0.000 -4.555) 6.350 2.848 ( 5.203 0.000 -0.201) 5.207 3.025 ( 6.883 0.000 -1.558) 7.057 3.030 ( -8.473 0.000 3.217) 9.063 3.164 ( -5.751 0.000 -1.350) 5.908 3.392 ( 6.756 0.000 -24.144) 25.071 3.402 ( 12.911 0.000 -13.138) 18.420 3.596 ( -9.507 0.000 -14.911) 17.684 3.673 ( -10.577 0.000 -12.104) 16.075 3.751 ( 13.687 0.000 13.561) 19.267 4.037 ( -11.073 0.000 15.061) 18.693 4.128 ( 10.845 0.000 3.279) 11.330 4.321 ( -3.844 0.000 3.075) 4.922 4.770 ( 13.432 0.000 13.811) 19.266 4.808 ( 5.753 0.000 10.433) 11.914 4.995 ( -9.060 0.000 12.476) 15.419 5.062 ( -11.779 0.000 11.251) 16.289 5.229 ( 1.129 0.000 5.526) 5.640 5.265 ( -2.245 0.000 1.494) 2.697 5.470 ( 2.829 0.000 -3.095) 4.193 5.543 ( -4.173 0.000 -6.478) 7.706 5.736 ( 5.756 0.000 16.561) 17.533 5.744 ( 9.320 0.000 -0.659) 9.343 5.828 ( -0.788 0.000 5.519) 5.575 5.968 ( -9.387 0.000 -3.368) 9.973 6.061 ( 6.045 0.000 3.137) 6.811 6.194 ( -3.743 0.000 -9.296) 10.021 6.222 ( 5.039 0.000 2.219) 5.506 6.345 ( -4.981 0.000 0.094) 4.982 6.540 ( -3.629 0.000 -4.005) 5.405 6.555 ( 1.764 0.000 -3.405) 3.834 6.565 ( -4.563 0.000 -6.102) 7.620 6.633 ( -3.005 0.000 -6.165) 6.859 6.893 ( 2.629 0.000 -3.862) 4.672 6.907 ( 2.606 0.000 -3.967) 4.746 6.914 ( 0.016 0.000 -6.018) 6.018 6.949 ( 0.048 0.000 -4.405) 4.405 7.459 ( 10.405 0.000 3.810) 11.080 7.566 ( 8.702 0.000 -0.157) 8.704 7.738 ( -12.543 0.000 4.449) 13.309 7.795 ( -10.829 0.000 2.635) 11.145 7.930 ( 6.292 0.000 4.915) 7.984 8.054 ( -2.478 0.000 3.293) 4.121 8.215 ( 4.921 0.000 -8.809) 10.091 8.267 ( 0.937 0.000 -6.051) 6.123 8.677 ( 2.504 0.000 14.932) 15.140 8.774 ( -5.513 0.000 8.364) 10.017 8.821 ( 4.309 0.000 3.595) 5.611 8.993 ( -10.113 0.000 0.912) 10.154 9.235 ( 4.402 0.000 4.535) 6.320 9.305 ( 3.524 0.000 -4.219) 5.497 9.322 ( -3.019 0.000 -0.525) 3.065 9.372 ( -1.796 0.000 -3.438) 3.878 9.758 ( 7.544 0.000 -4.848) 8.968 9.877 ( 12.442 0.000 -10.922) 16.556 9.954 ( -9.158 0.000 1.654) 9.306 10.189 ( -14.459 0.000 -10.216) 17.704 10.321 ( 5.954 0.000 7.911) 9.901 10.426 ( -3.279 0.000 9.783) 10.317 10.757 ( 9.933 0.000 -12.419) 15.903 10.937 ( -5.888 0.000 -13.305) 14.550 11.919 ( 3.275 0.000 1.302) 3.524 12.001 ( -3.480 0.000 4.525) 5.708 12.022 ( 3.688 0.000 -5.042) 6.247 12.129 ( -5.413 0.000 -3.119) 6.247 12.173 ( 5.176 0.000 -2.421) 5.714 12.276 ( 2.303 0.000 -4.549) 5.099 12.297 ( -5.102 0.000 -4.000) 6.483 12.320 ( -0.948 0.000 -2.099) 2.303 13.658 ( 7.242 0.000 13.692) 15.489 13.848 ( -8.563 0.000 12.560) 15.202 14.108 ( 4.271 0.000 -8.353) 9.381 14.228 ( -5.900 0.000 -6.293) 8.627 14.462 ( 5.134 0.000 0.067) 5.135 14.550 ( 4.353 0.000 -2.225) 4.888 14.560 ( -3.119 0.000 -3.216) 4.480 14.631 ( -2.585 0.000 -2.755) 3.778 16.241 ( 5.321 0.000 -4.107) 6.721 16.304 ( 10.863 0.000 -7.437) 13.165 16.386 ( -6.566 0.000 -2.019) 6.869 16.614 ( -14.909 0.000 -13.185) 19.903 17.890 ( 9.231 0.000 3.239) 9.783 18.082 ( 10.419 0.000 -4.662) 11.414 18.101 ( -8.019 0.000 3.007) 8.565 18.265 ( -5.195 0.000 -3.602) 6.322 19.769 ( 18.391 0.000 24.915) 30.968 20.345 ( -30.783 0.000 12.090) 33.072 20.414 ( 3.365 0.000 -8.716) 9.343 20.501 ( -3.691 0.000 3.474) 5.069 21.587 ( 2.636 0.000 7.554) 8.001 21.650 ( -2.495 0.000 17.357) 17.535 22.025 ( 24.011 0.000 -16.734) 29.267 22.450 ( -13.025 0.000 -24.606) 27.840 24.185 ( 8.140 0.000 9.537) 12.538 24.418 ( -11.656 0.000 10.223) 15.504 24.584 ( 9.223 0.000 -10.098) 13.676 24.856 ( -13.952 0.000 -11.875) 18.321 25.001 ( 8.161 0.000 12.819) 15.196 25.146 ( -4.477 0.000 13.566) 14.285 25.514 ( 9.142 0.000 -13.328) 16.162 25.669 ( -4.576 0.000 -12.847) 13.638 ======================= Grid point 111 (43/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.060 ( 0.000 7.298 15.589) 17.213 2.165 ( 0.000 6.582 6.323) 9.127 2.202 ( 0.000 5.971 12.615) 13.957 2.434 ( 0.000 -2.447 12.258) 12.500 2.553 ( 0.000 -2.973 0.807) 3.081 2.714 ( 0.000 2.200 -2.946) 3.677 2.747 ( 0.000 8.266 10.573) 13.421 2.862 ( 0.000 -0.610 -4.703) 4.742 2.897 ( 0.000 1.990 -4.272) 4.712 3.013 ( 0.000 2.728 -8.479) 8.907 3.146 ( 0.000 1.238 -7.736) 7.835 3.165 ( 0.000 -0.801 -1.727) 1.904 3.246 ( 0.000 -0.751 -1.472) 1.652 3.364 ( 0.000 1.722 -25.621) 25.679 3.500 ( 0.000 -1.148 16.038) 16.079 3.751 ( 0.000 3.414 -10.303) 10.853 3.918 ( 0.000 7.906 -16.906) 18.664 3.991 ( 0.000 1.162 1.310) 1.751 4.159 ( 0.000 -3.669 16.056) 16.470 4.346 ( 0.000 1.940 8.954) 9.161 4.551 ( 0.000 -1.293 13.357) 13.419 4.714 ( 0.000 -3.849 3.866) 5.455 5.116 ( 0.000 -12.052 11.628) 16.747 5.178 ( 0.000 3.405 8.399) 9.063 5.270 ( 0.000 2.836 4.727) 5.512 5.281 ( 0.000 5.969 11.093) 12.597 5.484 ( 0.000 2.028 -5.418) 5.785 5.633 ( 0.000 1.063 0.852) 1.362 5.651 ( 0.000 0.741 -1.643) 1.802 5.669 ( 0.000 1.871 11.473) 11.625 5.785 ( 0.000 0.480 -8.369) 8.383 5.960 ( 0.000 -2.294 12.873) 13.076 6.144 ( 0.000 2.563 -7.374) 7.807 6.170 ( 0.000 2.535 0.469) 2.578 6.256 ( 0.000 2.590 -12.600) 12.863 6.401 ( 0.000 0.291 -3.284) 3.297 6.484 ( 0.000 -4.610 3.896) 6.035 6.535 ( 0.000 -4.753 -3.235) 5.750 6.688 ( 0.000 2.821 -6.074) 6.697 6.760 ( 0.000 0.464 -4.392) 4.417 6.772 ( 0.000 2.943 -0.353) 2.964 6.863 ( 0.000 -3.176 -0.929) 3.309 6.960 ( 0.000 3.910 -2.975) 4.913 6.989 ( 0.000 6.060 -6.013) 8.537 7.285 ( 0.000 -1.058 6.143) 6.234 7.601 ( 0.000 8.169 -7.567) 11.135 7.850 ( 0.000 0.393 4.167) 4.186 7.955 ( 0.000 -2.034 5.831) 6.176 7.980 ( 0.000 0.436 7.326) 7.339 8.047 ( 0.000 3.615 0.965) 3.742 8.144 ( 0.000 3.209 -9.009) 9.564 8.216 ( 0.000 -0.284 -3.675) 3.686 8.625 ( 0.000 -1.460 15.941) 16.007 8.775 ( 0.000 -0.867 5.422) 5.490 8.913 ( 0.000 4.468 -0.253) 4.475 9.101 ( 0.000 -4.608 9.434) 10.499 9.123 ( 0.000 -4.165 7.970) 8.993 9.241 ( 0.000 0.372 -12.099) 12.105 9.394 ( 0.000 2.518 -5.337) 5.901 9.410 ( 0.000 2.587 -5.792) 6.343 9.683 ( 0.000 1.443 -5.255) 5.449 9.768 ( 0.000 5.223 -9.246) 10.619 10.186 ( 0.000 -0.691 3.661) 3.726 10.199 ( 0.000 6.347 5.931) 8.686 10.307 ( 0.000 -7.762 3.983) 8.724 10.540 ( 0.000 2.188 -11.082) 11.296 10.592 ( 0.000 3.586 -1.530) 3.899 10.948 ( 0.000 -4.965 -11.601) 12.619 11.841 ( 0.000 -1.879 5.907) 6.199 11.926 ( 0.000 -1.523 6.525) 6.701 12.144 ( 0.000 3.179 -2.142) 3.833 12.191 ( 0.000 8.129 -5.476) 9.802 12.233 ( 0.000 0.768 -4.314) 4.382 12.286 ( 0.000 5.118 -6.585) 8.340 12.324 ( 0.000 0.545 0.937) 1.084 12.417 ( 0.000 3.879 -4.856) 6.215 13.585 ( 0.000 1.601 12.830) 12.929 13.852 ( 0.000 -7.156 7.170) 10.130 14.118 ( 0.000 2.550 -6.042) 6.558 14.285 ( 0.000 -3.012 -7.535) 8.115 14.307 ( 0.000 -6.740 0.433) 6.754 14.384 ( 0.000 -7.716 -2.259) 8.040 14.511 ( 0.000 -7.700 -3.504) 8.460 14.606 ( 0.000 -5.267 -4.838) 7.152 16.178 ( 0.000 2.863 -2.843) 4.035 16.244 ( 0.000 3.737 -5.379) 6.549 16.560 ( 0.000 7.843 -0.697) 7.874 16.904 ( 0.000 7.142 -18.036) 19.399 17.621 ( 0.000 -12.472 4.799) 13.364 17.812 ( 0.000 -10.219 0.620) 10.238 18.087 ( 0.000 -7.755 1.575) 7.913 18.330 ( 0.000 -1.521 -7.268) 7.425 19.697 ( 0.000 11.385 26.889) 29.200 20.412 ( 0.000 2.870 -9.114) 9.556 20.521 ( 0.000 -2.266 13.658) 13.845 20.899 ( 0.000 2.601 -4.458) 5.162 21.470 ( 0.000 -6.073 2.440) 6.545 21.572 ( 0.000 -9.771 20.684) 22.876 21.583 ( 0.000 -1.119 -4.352) 4.493 22.465 ( 0.000 -11.220 -24.243) 26.713 24.171 ( 0.000 6.674 5.543) 8.675 24.399 ( 0.000 -5.023 -3.160) 5.935 24.618 ( 0.000 0.279 7.538) 7.543 24.909 ( 0.000 -11.343 -2.120) 11.539 24.966 ( 0.000 8.385 6.474) 10.594 25.310 ( 0.000 4.781 3.054) 5.673 25.349 ( 0.000 1.290 -11.749) 11.819 25.690 ( 0.000 -2.590 -11.442) 11.731 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 2.921 5.385 16.635) 17.727 2.176 ( -3.084 3.702 11.135) 12.132 2.307 ( 8.117 6.929 10.115) 14.704 2.402 ( 3.478 2.083 4.123) 5.782 2.586 ( -5.537 7.326 5.378) 10.642 2.645 ( 1.017 0.189 0.731) 1.266 2.733 ( -5.821 1.881 -3.760) 7.181 2.737 ( -7.504 0.486 -2.642) 7.970 2.892 ( 2.433 3.788 -1.423) 4.722 3.009 ( 0.053 -1.482 1.710) 2.263 3.037 ( -0.903 0.806 0.150) 1.220 3.151 ( -5.348 -1.330 0.136) 5.512 3.391 ( 11.875 -0.600 -8.247) 14.470 3.428 ( 7.249 2.976 -23.303) 24.585 3.605 ( -6.596 0.541 -6.225) 9.086 3.701 ( -10.532 2.891 -10.423) 15.097 3.766 ( 8.281 1.578 4.103) 9.375 4.022 ( -9.490 -1.424 10.396) 14.147 4.134 ( 9.374 0.466 0.067) 9.386 4.328 ( -5.218 0.090 0.547) 5.247 4.746 ( 12.651 -1.984 13.600) 18.680 4.800 ( 8.623 -0.246 11.205) 14.141 5.009 ( -9.015 -4.719 12.624) 16.214 5.040 ( -10.065 3.286 12.748) 16.572 5.276 ( 0.519 0.902 2.692) 2.886 5.284 ( -0.106 4.107 5.524) 6.884 5.501 ( 1.559 1.548 -5.556) 5.975 5.562 ( -4.012 1.047 -5.109) 6.580 5.699 ( 2.630 -1.981 12.180) 12.618 5.726 ( 2.830 -2.816 4.513) 6.026 5.820 ( 3.597 0.552 0.860) 3.739 5.979 ( -6.919 0.376 -0.279) 6.935 6.081 ( 6.255 2.011 -2.201) 6.929 6.224 ( -3.691 2.565 -7.824) 9.023 6.265 ( 4.777 3.699 0.406) 6.055 6.364 ( -3.719 1.764 -1.569) 4.405 6.485 ( 1.228 -2.271 0.118) 2.584 6.539 ( -2.547 -2.678 -2.724) 4.591 6.596 ( -0.567 3.137 -3.953) 5.078 6.677 ( -5.567 4.601 -5.736) 9.223 6.840 ( 2.367 -2.876 -3.229) 4.930 6.862 ( -0.182 -2.881 -3.255) 4.351 6.982 ( 1.689 3.744 -6.039) 7.304 7.008 ( 0.384 4.743 -5.806) 7.507 7.411 ( 10.246 -1.626 8.245) 13.251 7.655 ( -2.965 1.409 2.909) 4.386 7.707 ( -2.527 2.497 0.706) 3.622 7.866 ( -8.677 3.744 0.395) 9.458 7.979 ( 4.180 3.671 2.901) 6.274 8.060 ( -0.848 0.299 3.635) 3.745 8.222 ( 3.400 1.130 -7.002) 7.866 8.256 ( 1.273 -0.354 -4.071) 4.280 8.656 ( 3.449 -1.027 12.415) 12.926 8.766 ( -3.805 -0.662 7.062) 8.050 8.851 ( 0.966 2.596 3.812) 4.712 8.980 ( -8.066 -1.215 2.088) 8.420 9.191 ( 4.256 -2.937 3.459) 6.221 9.255 ( -1.120 -1.975 -4.012) 4.610 9.370 ( 0.951 1.872 -5.615) 5.995 9.415 ( -1.602 3.359 -4.687) 5.985 9.788 ( 8.223 2.239 -2.474) 8.874 9.893 ( 8.830 2.567 -7.281) 11.729 10.006 ( -8.512 3.295 0.311) 9.133 10.138 ( -9.858 -3.742 -4.161) 11.336 10.363 ( 5.056 3.131 6.721) 8.975 10.459 ( -3.636 2.872 5.029) 6.839 10.745 ( 7.849 -1.124 -10.585) 13.225 10.892 ( -4.815 -3.897 -11.523) 13.082 11.868 ( 2.174 -2.706 6.755) 7.595 11.913 ( -1.359 -2.669 7.489) 8.066 12.149 ( 0.733 5.334 -3.371) 6.352 12.198 ( -3.446 4.259 -4.755) 7.255 12.238 ( 3.523 5.144 -4.562) 7.726 12.273 ( 1.325 2.071 -4.522) 5.147 12.343 ( -0.158 2.276 -2.837) 3.641 12.370 ( -3.370 4.474 -4.822) 7.391 13.654 ( 5.626 -0.073 12.810) 13.991 13.792 ( -5.383 -4.327 11.228) 13.182 14.109 ( 1.428 -0.435 -7.941) 8.080 14.191 ( -5.115 -3.330 -7.012) 9.296 14.393 ( 4.984 -6.203 -1.442) 8.087 14.460 ( 2.443 -6.312 -3.361) 7.557 14.492 ( -0.183 -7.530 -3.222) 8.193 14.567 ( -3.294 -5.749 -4.197) 7.843 16.269 ( 6.705 3.265 -2.499) 7.865 16.339 ( 7.256 2.981 -4.715) 9.153 16.472 ( -4.702 7.521 -4.129) 9.784 16.679 ( -15.247 5.878 -13.031) 20.900 17.743 ( 9.111 -11.959 6.117) 16.231 17.911 ( -1.299 -12.426 6.406) 14.040 18.085 ( 5.642 -3.496 -7.400) 9.941 18.261 ( -6.209 -2.150 -8.188) 10.498 19.876 ( 16.039 9.224 24.043) 30.338 20.347 ( -17.309 0.850 9.664) 19.843 20.496 ( -4.186 3.607 0.958) 5.608 20.508 ( -6.146 3.194 1.964) 7.199 21.531 ( 1.209 -5.021 6.736) 8.488 21.558 ( -1.093 -8.171 16.397) 18.353 21.942 ( 21.944 -6.898 -15.166) 27.552 22.332 ( -11.927 -10.113 -22.479) 27.383 24.255 ( 7.124 5.805 5.959) 10.953 24.438 ( -4.877 0.242 5.107) 7.065 24.527 ( 3.231 -2.726 -2.336) 4.830 24.741 ( -11.344 -8.345 -4.308) 14.727 25.084 ( 7.293 6.106 7.380) 12.039 25.225 ( -4.955 5.091 6.465) 9.606 25.500 ( 7.878 -1.261 -12.065) 14.464 25.641 ( -4.373 -2.444 -11.776) 12.797 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 8.492 13.250) 15.738 2.325 ( 0.000 6.484 10.978) 12.750 2.360 ( 0.000 8.766 8.458) 12.181 2.455 ( 0.000 3.683 8.184) 8.974 2.525 ( 0.000 0.877 1.263) 1.538 2.754 ( 0.000 2.438 1.539) 2.883 2.828 ( 0.000 -0.727 1.765) 1.909 2.904 ( 0.000 4.492 3.426) 5.649 2.967 ( 0.000 4.173 -9.729) 10.586 3.057 ( 0.000 1.467 -0.104) 1.471 3.181 ( 0.000 0.233 -0.735) 0.772 3.182 ( 0.000 2.164 -3.452) 4.074 3.264 ( 0.000 5.501 4.394) 7.041 3.393 ( 0.000 0.657 -22.281) 22.290 3.486 ( 0.000 0.076 10.051) 10.051 3.884 ( 0.000 8.436 -10.376) 13.373 3.962 ( 0.000 -6.459 6.640) 9.263 4.077 ( 0.000 -1.906 7.071) 7.323 4.081 ( 0.000 5.366 -20.225) 20.924 4.385 ( 0.000 1.315 8.676) 8.775 4.504 ( 0.000 -3.137 11.831) 12.240 4.669 ( 0.000 2.161 -1.009) 2.385 4.851 ( 0.000 -11.994 14.915) 19.139 5.240 ( 0.000 1.738 9.004) 9.170 5.327 ( 0.000 -3.747 4.298) 5.702 5.335 ( 0.000 2.624 2.996) 3.982 5.475 ( 0.000 -2.590 -4.873) 5.518 5.608 ( 0.000 -5.055 -0.444) 5.075 5.668 ( 0.000 2.441 3.104) 3.949 5.730 ( 0.000 3.961 7.858) 8.800 5.799 ( 0.000 0.529 -7.376) 7.395 5.973 ( 0.000 3.261 7.086) 7.800 6.166 ( 0.000 -1.135 -3.003) 3.211 6.179 ( 0.000 -3.846 -6.865) 7.869 6.331 ( 0.000 4.246 -11.573) 12.327 6.432 ( 0.000 4.849 1.242) 5.006 6.454 ( 0.000 2.140 5.096) 5.527 6.497 ( 0.000 2.005 -1.237) 2.356 6.752 ( 0.000 2.387 -1.000) 2.587 6.774 ( 0.000 3.200 3.823) 4.985 6.841 ( 0.000 2.093 -2.658) 3.383 6.860 ( 0.000 3.265 -6.600) 7.364 7.067 ( 0.000 5.512 -4.725) 7.261 7.109 ( 0.000 5.311 -8.159) 9.735 7.301 ( 0.000 2.422 10.853) 11.120 7.739 ( 0.000 4.780 -9.424) 10.567 7.797 ( 0.000 -4.485 8.646) 9.740 7.897 ( 0.000 -2.818 8.188) 8.659 7.958 ( 0.000 -4.276 6.616) 7.877 8.130 ( 0.000 4.151 0.137) 4.153 8.208 ( 0.000 0.988 -8.820) 8.875 8.305 ( 0.000 9.583 -5.764) 11.183 8.643 ( 0.000 3.067 11.179) 11.592 8.747 ( 0.000 -1.701 7.778) 7.962 9.015 ( 0.000 -2.954 7.761) 8.304 9.025 ( 0.000 5.400 -4.807) 7.230 9.038 ( 0.000 -3.205 10.306) 10.793 9.263 ( 0.000 1.632 -13.676) 13.773 9.440 ( 0.000 0.549 -8.815) 8.832 9.445 ( 0.000 2.162 -8.890) 9.149 9.773 ( 0.000 6.553 -0.703) 6.591 9.873 ( 0.000 4.103 -5.885) 7.175 10.119 ( 0.000 -5.961 4.205) 7.295 10.200 ( 0.000 -1.856 3.808) 4.236 10.348 ( 0.000 7.098 5.237) 8.821 10.603 ( 0.000 3.423 -7.262) 8.029 10.621 ( 0.000 -0.565 0.107) 0.576 10.828 ( 0.000 -5.488 -6.809) 8.745 11.829 ( 0.000 0.802 12.310) 12.336 11.938 ( 0.000 2.544 11.677) 11.951 12.166 ( 0.000 -0.936 1.186) 1.511 12.291 ( 0.000 1.203 1.848) 2.205 12.328 ( 0.000 4.142 -8.783) 9.711 12.344 ( 0.000 2.653 -2.550) 3.680 12.380 ( 0.000 3.320 -8.525) 9.148 12.490 ( 0.000 2.629 -4.129) 4.894 13.633 ( 0.000 1.878 9.251) 9.440 13.739 ( 0.000 -1.606 4.521) 4.798 14.120 ( 0.000 -2.721 -6.188) 6.760 14.124 ( 0.000 -10.158 -2.614) 10.489 14.185 ( 0.000 -10.325 -3.358) 10.857 14.232 ( 0.000 -1.059 -9.872) 9.928 14.330 ( 0.000 -7.660 -5.108) 9.207 14.437 ( 0.000 -9.966 -6.981) 12.168 16.302 ( 0.000 8.133 -0.664) 8.161 16.342 ( 0.000 6.389 -2.485) 6.856 16.777 ( 0.000 11.935 -1.456) 12.024 17.112 ( 0.000 12.116 -17.720) 21.466 17.309 ( 0.000 -15.859 7.045) 17.353 17.531 ( 0.000 -15.172 4.667) 15.874 17.887 ( 0.000 -11.220 -2.592) 11.516 18.230 ( 0.000 -7.731 -12.794) 14.949 19.982 ( 0.000 14.363 24.104) 28.059 20.458 ( 0.000 1.102 3.147) 3.334 20.466 ( 0.000 -2.651 18.129) 18.322 20.967 ( 0.000 3.655 -4.385) 5.708 21.300 ( 0.000 -14.967 19.488) 24.572 21.346 ( 0.000 -5.141 2.244) 5.610 21.558 ( 0.000 -0.588 -7.384) 7.407 22.183 ( 0.000 -14.211 -21.222) 25.541 24.292 ( 0.000 0.619 2.360) 2.440 24.350 ( 0.000 4.013 -1.121) 4.166 24.590 ( 0.000 -4.297 2.109) 4.786 24.692 ( 0.000 -7.354 -0.652) 7.383 25.142 ( 0.000 7.622 2.526) 8.029 25.367 ( 0.000 0.899 2.024) 2.215 25.382 ( 0.000 1.631 -9.293) 9.435 25.624 ( 0.000 -3.407 -9.150) 9.764 ======================= Grid point 115 (46/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.639 6.871 13.086) 14.794 2.285 ( -4.306 5.837 10.414) 12.692 2.454 ( 7.186 5.452 9.577) 13.156 2.503 ( 5.998 6.792 1.426) 9.172 2.628 ( 2.968 0.513 0.983) 3.169 2.737 ( -2.497 3.011 2.156) 4.466 2.785 ( -1.273 8.011 2.473) 8.481 2.822 ( -7.119 4.754 -0.057) 8.561 2.954 ( 0.535 -1.361 -0.541) 1.559 3.004 ( -2.648 3.600 -1.730) 4.792 3.075 ( -2.051 2.607 3.079) 4.526 3.116 ( -5.369 -0.418 3.764) 6.570 3.394 ( 8.808 1.000 -2.451) 9.197 3.468 ( 4.414 -0.400 -14.459) 15.123 3.634 ( 4.495 2.290 6.248) 8.031 3.792 ( -12.529 3.644 -3.782) 13.585 3.818 ( 0.998 4.793 -9.596) 10.773 3.964 ( -4.975 -4.125 0.311) 6.470 4.159 ( 4.309 2.128 -6.741) 8.278 4.308 ( -5.968 -1.713 -2.530) 6.704 4.699 ( 10.792 -2.195 11.613) 16.005 4.809 ( 10.932 0.328 7.101) 13.040 4.868 ( -0.818 -7.505 13.618) 15.571 5.091 ( -11.213 0.316 9.987) 15.019 5.287 ( -0.092 -0.605 2.687) 2.756 5.340 ( -2.006 0.849 5.886) 6.276 5.487 ( 1.045 -3.092 -4.106) 5.245 5.555 ( -4.083 -1.754 -1.677) 4.750 5.657 ( 1.116 -1.471 3.709) 4.143 5.706 ( -2.152 1.826 4.725) 5.504 5.845 ( 5.033 0.991 -5.012) 7.172 5.989 ( -6.176 0.500 -1.057) 6.286 6.111 ( 5.833 0.278 -2.966) 6.550 6.233 ( -2.220 -3.081 -2.486) 4.539 6.368 ( 3.841 5.706 -2.667) 7.377 6.428 ( -0.791 4.959 -5.665) 7.570 6.495 ( 2.729 3.272 3.135) 5.290 6.541 ( 1.207 3.572 2.783) 4.686 6.696 ( -0.806 5.611 0.328) 5.678 6.736 ( -3.695 0.158 1.609) 4.033 6.839 ( 0.033 1.828 -2.545) 3.134 6.865 ( -1.109 5.644 -5.734) 8.122 7.059 ( 1.246 3.782 -7.244) 8.266 7.102 ( -1.077 3.502 -7.608) 8.444 7.400 ( 7.798 0.316 11.022) 13.505 7.612 ( -10.128 -2.849 10.417) 14.805 7.812 ( 4.158 4.347 -7.739) 9.802 7.904 ( -3.462 -0.845 0.175) 3.568 7.997 ( 3.979 -1.883 6.276) 7.666 8.077 ( -3.149 0.999 3.459) 4.783 8.269 ( 3.121 2.813 -6.383) 7.642 8.313 ( -0.350 6.247 -5.139) 8.097 8.658 ( 2.824 0.745 7.727) 8.261 8.743 ( -2.263 -1.449 6.406) 6.946 8.913 ( -1.706 2.165 5.940) 6.549 8.964 ( -4.308 1.019 4.624) 6.402 9.147 ( 4.831 -0.445 -0.933) 4.941 9.242 ( -3.322 0.951 -8.139) 8.842 9.415 ( 2.119 2.351 -7.797) 8.415 9.468 ( -1.271 1.375 -7.614) 7.841 9.856 ( 6.935 4.122 0.519) 8.084 9.957 ( 6.050 2.611 -4.910) 8.218 10.040 ( -7.900 -2.047 3.042) 8.710 10.087 ( -5.388 1.064 -0.314) 5.501 10.438 ( 4.746 3.770 5.786) 8.380 10.528 ( -3.507 3.082 1.886) 5.035 10.711 ( 4.361 -1.868 -6.881) 8.358 10.795 ( -2.870 -4.633 -7.392) 9.184 11.842 ( 1.599 0.363 12.232) 12.342 11.900 ( -2.904 1.240 12.037) 12.444 12.201 ( 2.422 0.133 1.772) 3.004 12.256 ( -2.548 0.758 1.395) 3.002 12.338 ( 1.453 3.317 -7.784) 8.585 12.357 ( 0.442 4.182 -7.450) 8.555 12.406 ( 1.643 3.080 -5.148) 6.220 12.459 ( -2.484 3.642 -4.148) 6.053 13.665 ( 2.518 0.816 9.474) 9.837 13.719 ( -1.823 -1.093 7.409) 7.708 14.068 ( -0.895 -3.723 -7.739) 8.635 14.095 ( -2.975 -5.835 -7.335) 9.834 14.224 ( 3.697 -8.680 -3.974) 10.237 14.288 ( -0.711 -9.941 -4.128) 10.787 14.333 ( 2.774 -5.000 -6.999) 9.037 14.406 ( -2.647 -8.466 -6.679) 11.103 16.380 ( 5.941 6.589 0.542) 8.889 16.429 ( 5.383 5.745 -0.089) 7.873 16.671 ( -4.288 10.558 -6.914) 13.329 16.843 ( -15.500 8.998 -12.837) 22.045 17.457 ( 9.705 -13.762 9.167) 19.173 17.620 ( -1.846 -14.131 10.632) 17.780 17.956 ( 8.441 -8.096 -12.804) 17.342 18.154 ( -6.798 -7.657 -13.631) 17.048 20.104 ( 10.578 10.973 22.512) 27.187 20.372 ( -9.170 0.973 13.571) 16.408 20.501 ( 3.301 0.288 12.033) 12.481 20.663 ( -13.727 7.899 1.747) 15.934 21.333 ( 2.650 -12.176 13.730) 18.542 21.393 ( -1.713 -7.704 4.046) 8.869 21.790 ( 15.942 -6.315 -13.862) 22.050 22.082 ( -9.051 -12.224 -19.637) 24.839 24.372 ( 6.467 -0.118 1.893) 6.739 24.397 ( 3.794 2.443 -0.040) 4.513 24.524 ( -4.634 -1.435 0.669) 4.897 24.576 ( -8.307 -4.771 -0.302) 9.584 25.210 ( 4.824 5.312 2.900) 7.740 25.312 ( -3.722 2.819 2.676) 5.381 25.469 ( 5.465 -1.337 -9.381) 10.939 25.580 ( -3.788 -3.017 -9.340) 10.521 ======================= Grid point 117 (47/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.380 ( 0.000 4.266 12.063) 12.795 2.398 ( 0.000 1.479 15.611) 15.681 2.537 ( 0.000 3.091 3.351) 4.559 2.540 ( 0.000 6.143 1.124) 6.245 2.596 ( 0.000 5.628 2.426) 6.129 2.815 ( 0.000 -1.062 2.832) 3.025 2.834 ( 0.000 4.775 2.652) 5.462 2.952 ( 0.000 0.235 0.583) 0.629 3.043 ( 0.000 2.162 -5.552) 5.958 3.097 ( 0.000 0.608 -1.098) 1.255 3.182 ( 0.000 3.605 13.021) 13.511 3.248 ( 0.000 4.538 -5.894) 7.439 3.386 ( 0.000 0.019 -16.415) 16.415 3.490 ( 0.000 12.388 8.742) 15.162 3.514 ( 0.000 2.593 4.279) 5.003 3.730 ( 0.000 -13.535 18.745) 23.121 3.973 ( 0.000 -3.884 -9.453) 10.220 4.073 ( 0.000 -0.109 -6.139) 6.140 4.167 ( 0.000 6.904 -18.755) 19.986 4.354 ( 0.000 -5.334 6.915) 8.733 4.463 ( 0.000 -0.155 8.579) 8.580 4.644 ( 0.000 -6.823 8.831) 11.160 4.842 ( 0.000 12.912 -9.019) 15.750 5.208 ( 0.000 -5.225 -5.177) 7.355 5.237 ( 0.000 -1.999 8.872) 9.094 5.361 ( 0.000 -0.126 2.010) 2.014 5.387 ( 0.000 -4.061 2.403) 4.719 5.442 ( 0.000 -10.386 -4.369) 11.267 5.725 ( 0.000 2.134 3.201) 3.847 5.790 ( 0.000 0.567 4.349) 4.386 5.824 ( 0.000 3.004 -4.707) 5.584 6.030 ( 0.000 -1.109 -3.756) 3.916 6.068 ( 0.000 -2.542 6.748) 7.211 6.124 ( 0.000 -2.058 4.358) 4.820 6.422 ( 0.000 4.045 -9.598) 10.415 6.508 ( 0.000 0.804 -10.325) 10.356 6.546 ( 0.000 5.711 5.235) 7.748 6.647 ( 0.000 10.009 12.673) 16.149 6.766 ( 0.000 -0.924 4.213) 4.313 6.857 ( 0.000 2.591 3.980) 4.749 6.918 ( 0.000 3.549 -6.703) 7.585 6.924 ( 0.000 3.190 -7.741) 8.373 7.176 ( 0.000 4.818 -4.774) 6.783 7.209 ( 0.000 3.814 -8.922) 9.703 7.393 ( 0.000 5.885 8.775) 10.566 7.677 ( 0.000 -6.810 10.055) 12.144 7.791 ( 0.000 -0.431 1.317) 1.386 7.846 ( 0.000 -4.977 8.854) 10.157 7.891 ( 0.000 3.791 -1.992) 4.283 8.167 ( 0.000 -4.871 -7.595) 9.023 8.229 ( 0.000 5.537 -3.396) 6.495 8.460 ( 0.000 1.122 -13.416) 13.462 8.720 ( 0.000 3.376 10.227) 10.770 8.734 ( 0.000 1.765 13.497) 13.612 8.985 ( 0.000 -0.135 7.789) 7.790 8.987 ( 0.000 -1.121 12.719) 12.768 9.146 ( 0.000 5.819 -8.188) 10.046 9.292 ( 0.000 0.551 -13.327) 13.338 9.456 ( 0.000 1.117 -8.483) 8.557 9.481 ( 0.000 1.032 -10.205) 10.257 9.917 ( 0.000 5.864 -1.405) 6.030 9.937 ( 0.000 2.705 -2.572) 3.732 10.008 ( 0.000 -3.892 4.275) 5.781 10.153 ( 0.000 -3.370 -1.373) 3.639 10.483 ( 0.000 5.467 5.440) 7.712 10.598 ( 0.000 -0.878 3.549) 3.656 10.666 ( 0.000 2.109 -2.669) 3.402 10.734 ( 0.000 -3.385 -2.161) 4.015 11.876 ( 0.000 3.712 13.380) 13.885 12.023 ( 0.000 5.162 12.489) 13.514 12.106 ( 0.000 -4.792 6.359) 7.962 12.250 ( 0.000 -3.903 8.251) 9.127 12.373 ( 0.000 0.870 -7.713) 7.762 12.402 ( 0.000 1.180 -5.436) 5.563 12.433 ( 0.000 2.150 -6.153) 6.518 12.517 ( 0.000 -0.260 -3.677) 3.686 13.650 ( 0.000 1.561 4.146) 4.431 13.800 ( 0.000 4.931 -1.401) 5.126 13.895 ( 0.000 -10.349 -0.872) 10.386 14.001 ( 0.000 -6.461 -6.614) 9.246 14.049 ( 0.000 -2.548 -6.302) 6.797 14.186 ( 0.000 -7.707 -7.359) 10.656 14.226 ( 0.000 -0.095 -10.488) 10.488 14.260 ( 0.000 -4.235 -8.620) 9.604 16.470 ( 0.000 8.619 2.369) 8.938 16.562 ( 0.000 13.211 0.236) 13.213 16.979 ( 0.000 -14.961 7.164) 16.587 17.045 ( 0.000 13.178 -2.547) 13.421 17.199 ( 0.000 -15.916 4.939) 16.665 17.401 ( 0.000 14.863 -17.943) 23.300 17.622 ( 0.000 -13.531 -4.294) 14.196 18.014 ( 0.000 -12.383 -16.427) 20.571 20.264 ( 0.000 10.931 20.615) 23.334 20.416 ( 0.000 -1.928 21.558) 21.644 20.481 ( 0.000 2.750 17.221) 17.439 20.968 ( 0.000 -14.958 24.223) 28.470 21.054 ( 0.000 3.682 -8.774) 9.515 21.246 ( 0.000 -4.609 -1.226) 4.770 21.584 ( 0.000 3.272 -11.759) 12.206 21.902 ( 0.000 -11.745 -18.926) 22.274 24.287 ( 0.000 0.772 4.472) 4.538 24.447 ( 0.000 -6.852 3.293) 7.602 24.463 ( 0.000 4.735 -5.594) 7.329 24.606 ( 0.000 -2.822 -5.334) 6.035 25.275 ( 0.000 4.724 0.978) 4.825 25.365 ( 0.000 -0.768 1.914) 2.062 25.418 ( 0.000 2.030 -6.819) 7.114 25.550 ( 0.000 -3.538 -7.152) 7.979 ======================= Grid point 118 (48/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -0.154 3.965 11.483) 12.149 2.385 ( -3.241 3.149 8.686) 9.791 2.532 ( 3.939 2.548 7.392) 8.755 2.603 ( -0.618 0.602 1.398) 1.642 2.679 ( 7.207 5.597 0.317) 9.131 2.829 ( -1.538 2.634 1.292) 3.312 2.895 ( 2.638 3.129 1.933) 4.526 2.918 ( 0.213 0.798 -0.374) 0.907 2.959 ( -4.455 3.209 -2.547) 6.052 3.041 ( -4.655 0.564 0.957) 4.786 3.127 ( 0.678 6.616 8.713) 10.961 3.232 ( -4.665 7.601 2.014) 9.143 3.418 ( 3.382 -0.458 -6.523) 7.362 3.467 ( -0.259 3.827 6.091) 7.198 3.645 ( 5.616 -2.422 8.438) 10.422 3.731 ( -1.552 -8.811 18.298) 20.368 3.920 ( -1.772 0.759 -12.633) 12.779 3.948 ( -4.247 2.604 -13.670) 14.550 4.238 ( 0.231 5.764 -9.493) 11.108 4.289 ( -1.120 2.161 -3.709) 4.436 4.621 ( 7.784 -6.558 8.208) 13.076 4.719 ( 4.553 -4.733 1.694) 6.783 4.840 ( 1.252 2.268 -3.431) 4.299 5.035 ( -11.356 -4.907 2.595) 12.640 5.248 ( 2.517 -1.667 3.498) 4.621 5.356 ( -4.785 -1.015 4.851) 6.889 5.405 ( 4.513 -2.114 0.929) 5.069 5.493 ( -0.036 -3.488 -1.315) 3.728 5.664 ( -0.197 0.976 2.335) 2.538 5.741 ( -4.163 0.998 0.154) 4.284 5.855 ( 3.774 0.288 -6.023) 7.114 5.977 ( -5.885 -2.012 -5.096) 8.041 6.111 ( 4.473 0.473 4.983) 6.713 6.168 ( 0.315 -1.756 6.456) 6.698 6.460 ( 4.201 2.030 -4.397) 6.411 6.536 ( -0.514 4.611 -5.770) 7.404 6.568 ( 3.357 3.253 3.048) 5.581 6.671 ( -2.803 6.395 3.641) 7.875 6.735 ( 1.090 0.868 8.023) 8.144 6.804 ( -3.437 2.860 5.211) 6.867 6.922 ( 3.233 5.202 -7.669) 9.815 6.989 ( 0.928 4.502 -6.392) 7.873 7.140 ( -2.571 3.399 -8.177) 9.221 7.162 ( -2.137 2.649 -6.731) 7.543 7.425 ( 3.364 1.768 10.682) 11.338 7.553 ( -7.315 -2.569 11.620) 13.969 7.847 ( 2.624 -3.060 3.541) 5.365 7.882 ( 0.939 2.725 -9.106) 9.551 7.955 ( 5.221 -1.714 8.213) 9.882 8.079 ( -5.140 -1.369 -0.696) 5.365 8.330 ( 5.757 3.230 -7.731) 10.166 8.440 ( -2.914 3.239 -12.070) 12.832 8.653 ( -0.350 -0.746 10.708) 10.740 8.719 ( -4.359 -0.591 6.404) 7.769 8.941 ( 1.937 1.212 10.860) 11.098 9.011 ( -3.082 1.952 9.769) 10.428 9.196 ( 4.672 4.606 -8.646) 10.853 9.283 ( -2.119 2.064 -11.739) 12.106 9.460 ( 0.593 1.714 -6.981) 7.213 9.475 ( -0.381 -0.467 -6.163) 6.193 9.942 ( 2.103 3.328 0.127) 3.939 9.990 ( -0.891 -0.747 2.853) 3.081 10.002 ( 3.809 1.072 -2.969) 4.947 10.102 ( -4.011 -0.839 -2.126) 4.616 10.513 ( 2.493 3.140 5.260) 6.614 10.571 ( -2.173 0.918 3.412) 4.148 10.685 ( 1.249 -0.419 -2.923) 3.206 10.716 ( -1.387 -2.662 -2.863) 4.149 11.878 ( 1.376 2.733 13.387) 13.732 11.953 ( -4.627 3.386 13.037) 14.242 12.168 ( 3.926 -3.002 6.551) 8.206 12.234 ( -1.736 -2.413 6.816) 7.436 12.373 ( 0.948 0.544 -6.961) 7.046 12.407 ( -1.703 1.096 -6.535) 6.842 12.457 ( 3.024 1.173 -4.672) 5.687 12.508 ( -1.240 0.748 -3.826) 4.091 13.683 ( 2.764 1.636 4.268) 5.341 13.756 ( -3.228 2.684 1.871) 4.597 13.924 ( 2.275 -7.878 -4.037) 9.140 13.984 ( -2.574 -4.255 -8.111) 9.514 14.068 ( 2.775 -5.415 -4.876) 7.797 14.141 ( -3.186 -4.159 -6.790) 8.576 14.249 ( 1.284 -3.745 -9.805) 10.574 14.265 ( -0.033 -3.288 -9.927) 10.457 16.521 ( 3.850 6.658 4.381) 8.851 16.580 ( 0.052 7.380 5.062) 8.949 16.878 ( -1.085 6.882 -9.154) 11.504 17.002 ( -9.825 4.087 -9.907) 14.539 17.225 ( 7.215 -6.265 8.125) 12.543 17.358 ( -4.079 -8.957 9.284) 13.530 17.783 ( 9.748 -6.695 -16.618) 20.396 17.957 ( -5.241 -10.309 -17.169) 20.701 20.285 ( 2.384 5.061 21.414) 22.133 20.371 ( -4.536 -0.916 19.378) 19.923 20.560 ( 8.517 6.310 17.747) 20.671 20.817 ( -13.124 5.736 12.391) 18.939 21.078 ( 6.616 -10.696 4.047) 13.212 21.224 ( -4.826 -7.965 0.410) 9.322 21.703 ( 8.252 -1.697 -14.783) 17.015 21.855 ( -4.487 -8.567 -17.997) 20.431 24.331 ( 3.476 -0.989 4.093) 5.460 24.411 ( -2.963 -4.652 3.418) 6.488 24.492 ( 2.433 3.123 -5.267) 6.589 24.562 ( -3.269 -0.247 -5.145) 6.101 25.301 ( 1.986 3.276 1.174) 4.007 25.345 ( -1.630 0.576 1.665) 2.400 25.453 ( 2.810 -0.030 -6.919) 7.468 25.520 ( -2.556 -2.645 -7.089) 7.986 ======================= Grid point 120 (49/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.000 -0.035 13.968) 13.969 2.417 ( 0.000 0.035 13.968) 13.969 2.581 ( 0.000 -0.470 -0.348) 0.585 2.581 ( 0.000 0.470 -0.348) 0.585 2.740 ( 0.000 -5.934 3.757) 7.024 2.740 ( 0.000 5.934 3.757) 7.024 2.924 ( 0.000 -2.370 1.831) 2.995 2.924 ( 0.000 2.370 1.831) 2.995 3.069 ( 0.000 -1.143 -0.429) 1.221 3.069 ( 0.000 1.143 -0.429) 1.221 3.327 ( 0.000 -0.457 -11.748) 11.757 3.327 ( 0.000 0.457 -11.747) 11.756 3.422 ( 0.000 -9.754 14.160) 17.194 3.422 ( 0.000 9.754 14.159) 17.194 3.622 ( 0.000 -2.993 11.587) 11.968 3.622 ( 0.000 2.993 11.587) 11.967 3.972 ( 0.000 -7.879 -9.960) 12.699 3.972 ( 0.000 7.879 -9.960) 12.699 4.267 ( 0.000 -1.636 -3.413) 3.785 4.267 ( 0.000 1.637 -3.414) 3.786 4.522 ( 0.000 -5.508 2.608) 6.095 4.522 ( 0.000 5.508 2.609) 6.095 5.120 ( 0.000 -8.221 -15.571) 17.608 5.120 ( 0.000 8.221 -15.571) 17.608 5.213 ( 0.000 -4.475 7.764) 8.961 5.213 ( 0.000 4.475 7.764) 8.961 5.351 ( 0.000 -0.005 2.506) 2.506 5.351 ( 0.000 0.005 2.506) 2.506 5.765 ( 0.000 -1.593 3.021) 3.415 5.765 ( 0.000 1.593 3.021) 3.415 5.925 ( 0.000 -5.280 -3.640) 6.414 5.925 ( 0.000 5.280 -3.640) 6.414 6.088 ( 0.000 -1.117 8.901) 8.971 6.088 ( 0.000 1.117 8.901) 8.971 6.491 ( 0.000 -1.653 -9.124) 9.272 6.491 ( 0.000 1.653 -9.124) 9.272 6.670 ( 0.000 -5.337 8.795) 10.287 6.670 ( 0.000 5.337 8.795) 10.287 6.836 ( 0.000 -4.550 3.195) 5.560 6.836 ( 0.000 4.550 3.195) 5.560 6.966 ( 0.000 -0.092 -6.451) 6.452 6.966 ( 0.000 0.092 -6.451) 6.452 7.246 ( 0.000 -0.897 -6.623) 6.683 7.246 ( 0.000 0.897 -6.623) 6.683 7.527 ( 0.000 -6.405 8.194) 10.400 7.527 ( 0.000 6.405 8.194) 10.400 7.781 ( 0.000 -0.295 8.434) 8.439 7.781 ( 0.000 0.295 8.434) 8.439 8.025 ( 0.000 -7.455 -7.015) 10.236 8.025 ( 0.000 7.455 -7.015) 10.236 8.368 ( 0.000 -7.062 -9.586) 11.907 8.368 ( 0.000 7.062 -9.586) 11.907 8.765 ( 0.000 -0.098 12.800) 12.801 8.765 ( 0.000 0.098 12.800) 12.801 8.985 ( 0.000 -0.024 9.790) 9.790 8.985 ( 0.000 0.024 9.790) 9.790 9.258 ( 0.000 -3.967 -9.784) 10.557 9.258 ( 0.000 3.967 -9.784) 10.557 9.481 ( 0.000 -0.838 -10.025) 10.060 9.481 ( 0.000 0.838 -10.025) 10.060 9.958 ( 0.000 -1.191 1.666) 2.048 9.958 ( 0.000 1.191 1.666) 2.048 10.054 ( 0.000 -5.649 -3.488) 6.640 10.054 ( 0.000 5.649 -3.488) 6.640 10.571 ( 0.000 -2.563 4.936) 5.562 10.571 ( 0.000 2.563 4.936) 5.562 10.690 ( 0.000 -0.820 -0.104) 0.827 10.690 ( 0.000 0.820 -0.104) 0.827 11.983 ( 0.000 -5.568 10.859) 12.204 11.983 ( 0.000 5.568 10.859) 12.204 12.143 ( 0.000 -5.358 11.009) 12.244 12.143 ( 0.000 5.358 11.009) 12.244 12.394 ( 0.000 -0.890 -6.139) 6.203 12.394 ( 0.000 0.890 -6.139) 6.203 12.484 ( 0.000 -2.230 -4.137) 4.700 12.484 ( 0.000 2.231 -4.137) 4.700 13.725 ( 0.000 -5.562 0.903) 5.635 13.725 ( 0.000 5.562 0.903) 5.635 13.896 ( 0.000 -3.747 -6.780) 7.746 13.896 ( 0.000 3.747 -6.780) 7.746 14.054 ( 0.000 -2.993 -5.759) 6.490 14.054 ( 0.000 2.993 -5.759) 6.490 14.225 ( 0.000 -0.096 -10.446) 10.446 14.225 ( 0.000 0.096 -10.446) 10.446 16.690 ( 0.000 -12.044 5.464) 13.225 16.690 ( 0.000 12.044 5.464) 13.225 16.867 ( 0.000 -14.928 2.723) 15.174 16.867 ( 0.000 14.928 2.723) 15.174 17.330 ( 0.000 -13.668 -3.784) 14.182 17.330 ( 0.000 13.668 -3.784) 14.182 17.721 ( 0.000 -14.922 -17.939) 23.334 17.721 ( 0.000 14.922 -17.939) 23.334 20.381 ( 0.000 -1.626 21.016) 21.079 20.381 ( 0.000 1.626 21.016) 21.079 20.662 ( 0.000 -12.906 22.200) 25.679 20.662 ( 0.000 12.906 22.200) 25.679 21.147 ( 0.000 -4.311 -4.359) 6.130 21.147 ( 0.000 4.311 -4.359) 6.131 21.698 ( 0.000 -7.435 -15.927) 17.577 21.698 ( 0.000 7.435 -15.927) 17.577 24.334 ( 0.000 -3.720 4.424) 5.780 24.334 ( 0.000 3.720 4.424) 5.780 24.544 ( 0.000 -3.163 -7.093) 7.766 24.544 ( 0.000 3.163 -7.093) 7.766 25.340 ( 0.000 -1.745 1.186) 2.110 25.340 ( 0.000 1.745 1.186) 2.110 25.476 ( 0.000 -3.348 -6.104) 6.962 25.476 ( 0.000 3.348 -6.104) 6.962 ======================= Grid point 122 (50/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -0.094 0.000 11.702) 11.703 2.417 ( -2.117 0.000 9.953) 10.176 2.563 ( 1.622 0.000 4.163) 4.467 2.603 ( -0.996 0.000 2.764) 2.938 2.759 ( 4.240 0.000 -2.537) 4.941 2.828 ( 1.491 0.000 3.945) 4.217 2.903 ( 4.178 0.000 0.913) 4.277 2.977 ( -2.504 -0.000 -2.398) 3.467 3.001 ( -5.792 0.000 -4.486) 7.326 3.004 ( -1.822 -0.000 3.193) 3.676 3.301 ( 0.221 0.000 -7.543) 7.546 3.322 ( -0.821 0.000 -4.110) 4.191 3.440 ( 4.881 -0.001 22.530) 23.053 3.492 ( 4.146 0.001 7.489) 8.560 3.585 ( -3.421 -0.001 8.470) 9.135 3.605 ( -5.789 0.001 22.478) 23.211 3.896 ( 0.378 -0.000 -10.403) 10.409 3.953 ( -3.235 0.000 -14.719) 15.071 4.330 ( 4.327 0.000 3.443) 5.530 4.397 ( 5.768 0.000 -16.191) 17.187 4.511 ( 2.670 0.000 12.248) 12.535 4.625 ( 5.359 -0.000 -12.470) 13.573 4.883 ( -9.951 0.000 -7.414) 12.410 4.969 ( -10.652 -0.000 -7.847) 13.231 5.237 ( 3.403 0.000 5.369) 6.357 5.301 ( 0.486 0.000 6.031) 6.050 5.415 ( 3.202 0.000 4.192) 5.275 5.448 ( 3.525 0.000 -1.344) 3.772 5.672 ( -1.237 0.000 3.256) 3.483 5.751 ( -4.388 0.000 -2.082) 4.857 5.864 ( 1.195 0.000 -5.354) 5.486 5.940 ( -2.823 0.000 -4.894) 5.650 6.122 ( 3.030 0.000 9.015) 9.510 6.155 ( 0.921 -0.000 8.702) 8.751 6.474 ( 4.109 0.000 -3.032) 5.106 6.590 ( 1.351 0.000 -9.588) 9.683 6.616 ( -0.847 0.000 11.213) 11.245 6.709 ( -0.954 -0.000 -0.573) 1.113 6.783 ( -0.991 0.000 7.321) 7.388 6.823 ( -1.842 0.000 4.739) 5.084 6.994 ( 4.124 0.000 -7.233) 8.326 7.035 ( 2.780 0.000 -5.832) 6.460 7.185 ( -4.103 -0.000 -7.730) 8.751 7.194 ( -3.792 0.000 -7.306) 8.232 7.449 ( -0.204 -0.000 10.391) 10.393 7.518 ( -4.655 0.000 12.081) 12.947 7.812 ( 6.160 0.000 4.827) 7.826 7.921 ( 3.901 0.000 -6.967) 7.985 7.943 ( -1.768 -0.000 7.102) 7.319 8.038 ( -2.622 0.000 -4.323) 5.056 8.407 ( 3.321 0.000 -9.791) 10.339 8.420 ( 2.894 -0.000 -15.334) 15.605 8.654 ( -3.342 0.000 14.988) 15.356 8.714 ( -7.216 -0.000 6.536) 9.736 8.956 ( 3.383 0.000 12.410) 12.862 9.033 ( -2.217 0.000 11.480) 11.692 9.281 ( 2.305 0.000 -13.284) 13.482 9.289 ( 1.345 -0.000 -10.466) 10.552 9.465 ( -0.219 0.000 -4.802) 4.807 9.481 ( -0.962 0.000 -5.485) 5.569 9.973 ( 1.039 0.000 1.814) 2.091 9.978 ( 0.880 0.000 0.250) 0.915 10.051 ( 0.224 -0.000 -3.747) 3.753 10.059 ( -0.183 0.000 -3.899) 3.903 10.557 ( 0.167 0.000 5.346) 5.349 10.573 ( -0.667 -0.000 4.042) 4.097 10.683 ( -0.289 0.000 -0.641) 0.703 10.686 ( -0.453 0.000 -0.569) 0.727 11.923 ( 0.580 0.000 12.524) 12.538 12.004 ( -5.723 -0.000 12.600) 13.838 12.119 ( 5.199 0.000 9.096) 10.477 12.192 ( -0.788 0.000 9.401) 9.434 12.379 ( 0.877 0.000 -6.326) 6.387 12.421 ( -2.683 0.000 -5.441) 6.067 12.462 ( 3.109 0.000 -4.561) 5.520 12.507 ( -0.555 -0.000 -3.743) 3.784 13.721 ( 1.475 0.000 1.961) 2.453 13.764 ( -0.633 0.000 0.576) 0.856 13.845 ( 1.532 0.000 -5.354) 5.569 13.932 ( -4.233 0.000 -7.339) 8.472 14.012 ( 3.830 0.000 -5.209) 6.465 14.092 ( -1.814 0.000 -6.854) 7.089 14.207 ( 1.006 0.000 -10.485) 10.533 14.236 ( -0.667 0.000 -11.441) 11.460 16.629 ( -0.950 0.000 8.411) 8.465 16.661 ( -3.635 0.000 7.212) 8.076 16.902 ( 7.933 0.000 -1.426) 8.060 17.043 ( 3.945 -0.000 -12.186) 12.809 17.177 ( -4.982 -0.000 9.044) 10.325 17.281 ( -6.061 0.000 -0.240) 6.066 17.759 ( 2.427 -0.000 -18.390) 18.550 17.771 ( 1.765 0.000 -18.761) 18.844 20.329 ( -0.959 0.000 21.445) 21.466 20.357 ( -2.896 0.000 21.749) 21.941 20.707 ( 7.032 -0.000 21.544) 22.662 20.804 ( 4.166 0.000 28.537) 28.840 21.005 ( -4.534 0.000 -10.767) 11.683 21.099 ( -7.014 0.000 -4.130) 8.140 21.706 ( 2.592 0.000 -16.396) 16.599 21.744 ( 0.306 -0.000 -16.538) 16.541 24.337 ( 0.482 0.000 4.347) 4.374 24.343 ( 0.161 0.000 4.360) 4.363 24.538 ( 0.117 -0.000 -6.772) 6.773 24.546 ( -0.342 0.000 -6.950) 6.959 25.344 ( 0.221 0.000 1.010) 1.034 25.344 ( 0.215 -0.000 0.984) 1.007 25.468 ( -0.078 -0.000 -5.952) 5.953 25.475 ( -0.409 0.000 -6.076) 6.090 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.000 0.000 -3.503) 3.503 2.201 ( 0.000 0.000 3.503) 3.503 2.380 ( 0.000 0.000 -21.195) 21.195 2.380 ( 0.000 0.000 21.195) 21.195 2.619 ( 0.000 0.000 -0.696) 0.696 2.619 ( 0.000 0.000 0.696) 0.696 2.788 ( 0.000 0.000 -3.903) 3.903 2.788 ( 0.000 0.000 3.903) 3.903 2.929 ( 0.000 0.000 -15.151) 15.151 2.929 ( 0.000 0.000 15.151) 15.151 2.948 ( 0.000 0.000 -8.335) 8.335 2.948 ( 0.000 0.000 8.335) 8.335 3.234 ( 0.000 0.000 -3.862) 3.862 3.234 ( 0.000 0.000 3.862) 3.862 3.635 ( 0.000 0.000 -4.069) 4.069 3.635 ( 0.000 0.000 4.069) 4.069 3.842 ( 0.000 0.000 -14.068) 14.068 3.842 ( 0.000 0.000 14.068) 14.068 4.398 ( 0.000 0.000 -3.528) 3.528 4.398 ( 0.000 0.000 3.528) 3.528 4.769 ( 0.000 0.000 -4.677) 4.677 4.769 ( 0.000 0.000 4.677) 4.677 5.271 ( 0.000 0.000 -3.262) 3.262 5.271 ( 0.000 0.000 3.262) 3.262 5.359 ( 0.000 0.000 -5.938) 5.938 5.359 ( 0.000 0.000 5.938) 5.938 5.437 ( 0.000 0.000 -10.474) 10.474 5.437 ( 0.000 0.000 10.474) 10.474 5.646 ( 0.000 0.000 -4.343) 4.343 5.646 ( 0.000 0.000 4.343) 4.343 6.033 ( 0.000 0.000 -14.681) 14.681 6.033 ( 0.000 0.000 14.681) 14.681 6.056 ( 0.000 0.000 -3.201) 3.201 6.056 ( 0.000 0.000 3.201) 3.201 6.267 ( 0.000 0.000 -10.862) 10.862 6.267 ( 0.000 0.000 10.862) 10.862 6.561 ( 0.000 0.000 -0.874) 0.874 6.561 ( 0.000 0.000 0.874) 0.874 6.591 ( 0.000 0.000 -0.281) 0.281 6.591 ( 0.000 0.000 0.281) 0.281 6.834 ( 0.000 0.000 -1.229) 1.229 6.834 ( 0.000 0.000 1.229) 1.229 6.886 ( 0.000 0.000 -0.785) 0.785 6.886 ( 0.000 0.000 0.785) 0.785 7.383 ( 0.000 0.000 -3.776) 3.776 7.383 ( 0.000 0.000 3.776) 3.776 7.937 ( 0.000 0.000 -7.447) 7.447 7.937 ( 0.000 0.000 7.447) 7.447 8.018 ( 0.000 0.000 -0.270) 0.270 8.018 ( 0.000 0.000 0.270) 0.270 8.118 ( 0.000 0.000 -6.214) 6.214 8.118 ( 0.000 0.000 6.214) 6.214 8.860 ( 0.000 0.000 -2.756) 2.756 8.860 ( 0.000 0.000 2.756) 2.756 8.994 ( 0.000 0.000 -15.572) 15.572 8.994 ( 0.000 0.000 15.572) 15.572 9.281 ( 0.000 0.000 -4.889) 4.889 9.281 ( 0.000 0.000 4.889) 4.889 9.305 ( 0.000 0.000 -4.690) 4.690 9.305 ( 0.000 0.000 4.690) 4.690 9.576 ( 0.000 0.000 -0.832) 0.832 9.576 ( 0.000 0.000 0.832) 0.832 10.290 ( 0.000 0.000 -10.348) 10.348 10.290 ( 0.000 0.000 10.348) 10.348 10.309 ( 0.000 0.000 -7.856) 7.856 10.309 ( 0.000 0.000 7.856) 7.856 10.720 ( 0.000 0.000 -14.918) 14.918 10.720 ( 0.000 0.000 14.918) 14.918 11.896 ( 0.000 0.000 -2.405) 2.405 11.896 ( 0.000 0.000 2.405) 2.405 12.129 ( 0.000 0.000 -4.701) 4.701 12.129 ( 0.000 0.000 4.701) 4.701 12.155 ( 0.000 0.000 -3.774) 3.774 12.155 ( 0.000 0.000 3.774) 3.774 12.316 ( 0.000 0.000 -0.544) 0.544 12.316 ( 0.000 0.000 0.544) 0.544 13.833 ( 0.000 0.000 -12.879) 12.879 13.833 ( 0.000 0.000 12.879) 12.879 14.170 ( 0.000 0.000 -9.212) 9.212 14.170 ( 0.000 0.000 9.212) 9.212 14.439 ( 0.000 0.000 -2.583) 2.583 14.439 ( 0.000 0.000 2.583) 2.583 14.591 ( 0.000 0.000 -3.057) 3.057 14.591 ( 0.000 0.000 3.057) 3.057 16.129 ( 0.000 0.000 -0.145) 0.145 16.129 ( 0.000 0.000 0.145) 0.145 16.553 ( 0.000 0.000 -9.217) 9.217 16.553 ( 0.000 0.000 9.217) 9.217 17.844 ( 0.000 0.000 -4.525) 4.525 17.844 ( 0.000 0.000 4.525) 4.525 18.257 ( 0.000 0.000 -3.546) 3.546 18.257 ( 0.000 0.000 3.546) 3.546 20.047 ( 0.000 0.000 -20.712) 20.712 20.047 ( 0.000 0.000 20.712) 20.712 20.745 ( 0.000 0.000 -8.491) 8.491 20.745 ( 0.000 0.000 8.491) 8.491 21.558 ( 0.000 0.000 -0.152) 0.152 21.558 ( 0.000 0.000 0.152) 0.152 22.110 ( 0.000 0.000 -23.412) 23.412 22.110 ( 0.000 0.000 23.412) 23.412 24.282 ( 0.000 0.000 -10.277) 10.277 24.282 ( 0.000 0.000 10.277) 10.277 24.840 ( 0.000 0.000 -12.555) 12.555 24.840 ( 0.000 0.000 12.555) 12.555 25.090 ( 0.000 0.000 -12.431) 12.431 25.090 ( 0.000 0.000 12.431) 12.431 25.464 ( 0.000 0.000 -13.608) 13.608 25.464 ( 0.000 0.000 13.608) 13.608 ======================= Grid point 137 (52/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.182 0.000 -4.187) 5.918 2.254 ( 4.182 0.000 4.187) 5.918 2.345 ( -3.090 0.000 -12.961) 13.324 2.345 ( -3.090 0.000 12.961) 13.324 2.607 ( -0.021 0.000 -5.627) 5.627 2.607 ( -0.021 0.000 5.627) 5.627 2.661 ( -5.275 0.000 -0.318) 5.284 2.661 ( -5.275 0.000 0.318) 5.284 2.975 ( 4.104 0.000 -10.872) 11.621 2.975 ( 4.104 0.000 10.872) 11.621 3.111 ( -7.619 0.000 -4.758) 8.983 3.111 ( -7.619 0.000 4.758) 8.983 3.175 ( 13.959 0.000 -7.318) 15.761 3.175 ( 13.959 0.000 7.318) 15.761 3.481 ( -12.016 0.000 -4.967) 13.002 3.481 ( -12.016 0.000 4.967) 13.002 4.021 ( 12.168 0.000 -11.489) 16.735 4.021 ( 12.168 0.000 11.489) 16.735 4.274 ( -9.379 0.000 -8.134) 12.415 4.274 ( -9.379 0.000 8.134) 12.415 4.927 ( 10.934 0.000 -0.603) 10.950 4.927 ( 10.934 0.000 0.603) 10.950 5.160 ( -8.706 0.000 -2.101) 8.956 5.160 ( -8.706 0.000 2.101) 8.956 5.354 ( 0.045 0.000 -7.120) 7.120 5.354 ( 0.045 0.000 7.120) 7.120 5.384 ( -2.713 0.000 -8.921) 9.324 5.384 ( -2.713 0.000 8.921) 9.324 5.771 ( 8.268 0.000 -3.997) 9.184 5.771 ( 8.268 0.000 3.997) 9.184 5.936 ( -5.725 0.000 -0.563) 5.752 5.936 ( -5.725 0.000 0.563) 5.752 6.169 ( 5.440 0.000 -8.298) 9.922 6.169 ( 5.440 0.000 8.298) 9.922 6.255 ( -1.823 0.000 -9.765) 9.933 6.255 ( -1.823 0.000 9.765) 9.933 6.495 ( -2.478 0.000 -0.095) 2.480 6.495 ( -2.478 0.000 0.095) 2.480 6.528 ( -4.001 0.000 -2.471) 4.703 6.528 ( -4.001 0.000 2.471) 4.703 6.851 ( 1.344 0.000 -1.007) 1.679 6.851 ( 1.344 0.000 1.007) 1.679 6.881 ( -0.911 0.000 -1.594) 1.836 6.881 ( -0.911 0.000 1.594) 1.836 7.534 ( 11.303 0.000 -3.115) 11.725 7.534 ( 11.303 0.000 3.115) 11.725 7.800 ( -11.054 0.000 -1.827) 11.204 7.800 ( -11.054 0.000 1.827) 11.204 8.053 ( 4.935 0.000 -7.525) 8.999 8.053 ( 4.935 0.000 7.525) 8.999 8.144 ( -1.360 0.000 -5.938) 6.092 8.144 ( -1.360 0.000 5.938) 6.092 8.857 ( 0.686 0.000 -0.556) 0.883 8.857 ( 0.686 0.000 0.556) 0.883 8.920 ( -4.627 0.000 -8.780) 9.925 8.920 ( -4.627 0.000 8.780) 9.925 9.273 ( 1.710 0.000 -0.288) 1.734 9.273 ( 1.710 0.000 0.288) 1.734 9.319 ( -1.335 0.000 -1.974) 2.383 9.319 ( -1.335 0.000 1.974) 2.383 9.737 ( 12.014 0.000 -3.008) 12.384 9.737 ( 12.014 0.000 3.008) 12.384 10.028 ( -13.019 0.000 -6.177) 14.410 10.028 ( -13.019 0.000 6.177) 14.410 10.517 ( 8.292 0.000 -11.735) 14.369 10.517 ( 8.292 0.000 11.735) 14.369 10.665 ( -4.743 0.000 -13.967) 14.750 10.665 ( -4.743 0.000 13.967) 14.750 11.949 ( 4.523 0.000 -2.367) 5.105 11.949 ( 4.523 0.000 2.367) 5.105 12.071 ( -5.376 0.000 -3.063) 6.188 12.071 ( -5.376 0.000 3.063) 6.188 12.190 ( 3.657 0.000 -3.376) 4.977 12.190 ( 3.657 0.000 3.376) 4.977 12.277 ( -3.327 0.000 -1.410) 3.613 12.277 ( -3.327 0.000 1.410) 3.613 13.910 ( 6.219 0.000 -11.856) 13.388 13.910 ( 6.219 0.000 11.856) 13.388 14.071 ( -7.133 0.000 -9.935) 12.231 14.071 ( -7.133 0.000 9.935) 12.231 14.498 ( 3.716 0.000 -2.803) 4.655 14.498 ( 3.716 0.000 2.803) 4.655 14.567 ( -2.152 0.000 -2.947) 3.649 14.567 ( -2.152 0.000 2.947) 3.649 16.217 ( 7.405 0.000 -1.571) 7.570 16.217 ( 7.405 0.000 1.571) 7.570 16.423 ( -9.599 0.000 -5.984) 11.312 16.423 ( -9.599 0.000 5.984) 11.312 17.977 ( 9.686 0.000 -5.409) 11.094 17.977 ( 9.686 0.000 5.409) 11.094 18.178 ( -6.880 0.000 -4.617) 8.286 18.178 ( -6.880 0.000 4.617) 8.286 20.173 ( 11.018 0.000 -16.424) 19.778 20.173 ( 11.018 0.000 16.424) 19.778 20.501 ( -16.453 0.000 -3.884) 16.905 20.501 ( -16.453 0.000 3.884) 16.905 21.760 ( 13.121 0.000 -10.856) 17.030 21.760 ( 13.121 0.000 10.856) 17.030 22.013 ( -8.373 0.000 -20.364) 22.018 22.013 ( -8.373 0.000 20.364) 22.018 24.382 ( 8.502 0.000 -10.510) 13.518 24.382 ( 8.502 0.000 10.510) 13.518 24.629 ( -12.564 0.000 -11.394) 16.960 24.629 ( -12.564 0.000 11.394) 16.960 25.255 ( 8.869 0.000 -13.246) 15.941 25.255 ( 8.869 0.000 13.246) 15.941 25.411 ( -4.768 0.000 -13.575) 14.388 25.411 ( -4.768 0.000 13.575) 14.388 ======================= Grid point 141 (53/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.268 ( 0.000 5.834 -3.405) 6.755 2.268 ( 0.000 5.834 3.405) 6.755 2.407 ( 0.000 2.643 -15.803) 16.023 2.407 ( 0.000 2.643 15.803) 16.023 2.632 ( 0.000 1.389 -5.786) 5.950 2.632 ( 0.000 1.389 5.786) 5.950 2.819 ( 0.000 2.793 -5.944) 6.567 2.819 ( 0.000 2.793 5.944) 6.567 2.952 ( 0.000 0.529 -9.526) 9.541 2.952 ( 0.000 0.529 9.526) 9.541 2.966 ( 0.000 2.508 -11.306) 11.580 2.966 ( 0.000 2.508 11.306) 11.580 3.250 ( 0.000 2.236 -4.726) 5.229 3.250 ( 0.000 2.236 4.726) 5.229 3.682 ( 0.000 4.286 -5.541) 7.005 3.682 ( 0.000 4.286 5.541) 7.005 3.828 ( 0.000 -1.293 -14.818) 14.874 3.828 ( 0.000 -1.293 14.818) 14.874 4.386 ( 0.000 -1.215 -5.917) 6.041 4.386 ( 0.000 -1.215 5.917) 6.041 4.730 ( 0.000 -3.515 -3.799) 5.176 4.730 ( 0.000 -3.515 3.799) 5.176 5.299 ( 0.000 2.335 -3.030) 3.825 5.299 ( 0.000 2.335 3.030) 3.825 5.326 ( 0.000 -3.835 -9.931) 10.646 5.326 ( 0.000 -3.835 9.931) 10.646 5.498 ( 0.000 4.527 -9.980) 10.958 5.498 ( 0.000 4.527 9.980) 10.958 5.665 ( 0.000 1.713 -3.280) 3.700 5.665 ( 0.000 1.713 3.280) 3.700 5.986 ( 0.000 -3.870 -14.701) 15.202 5.986 ( 0.000 -3.870 14.701) 15.202 6.088 ( 0.000 2.803 -3.002) 4.107 6.088 ( 0.000 2.803 3.002) 4.107 6.248 ( 0.000 -1.235 -11.482) 11.548 6.248 ( 0.000 -1.235 11.482) 11.548 6.550 ( 0.000 0.349 -5.632) 5.643 6.550 ( 0.000 0.349 5.632) 5.643 6.603 ( 0.000 1.087 -7.743) 7.819 6.603 ( 0.000 1.087 7.743) 7.819 6.863 ( 0.000 2.566 -6.060) 6.581 6.863 ( 0.000 2.566 6.060) 6.581 6.903 ( 0.000 1.506 -3.285) 3.614 6.903 ( 0.000 1.506 3.285) 3.614 7.435 ( 0.000 4.108 -8.726) 9.645 7.435 ( 0.000 4.108 8.726) 9.645 7.969 ( 0.000 2.198 -8.023) 8.318 7.969 ( 0.000 2.198 8.023) 8.318 8.034 ( 0.000 1.307 -2.408) 2.740 8.034 ( 0.000 1.307 2.408) 2.740 8.115 ( 0.000 0.254 -6.346) 6.352 8.115 ( 0.000 0.254 6.346) 6.352 8.869 ( 0.000 0.782 -3.967) 4.043 8.869 ( 0.000 0.782 3.967) 4.043 8.952 ( 0.000 -3.118 -16.688) 16.977 8.952 ( 0.000 -3.118 16.688) 16.977 9.270 ( 0.000 -0.835 -7.103) 7.152 9.270 ( 0.000 -0.835 7.103) 7.152 9.275 ( 0.000 -1.879 -7.931) 8.151 9.275 ( 0.000 -1.879 7.931) 8.151 9.655 ( 0.000 6.113 -2.376) 6.559 9.655 ( 0.000 6.113 2.376) 6.559 10.283 ( 0.000 -2.559 -5.113) 5.717 10.283 ( 0.000 -2.559 5.113) 5.717 10.341 ( 0.000 4.543 -8.936) 10.024 10.341 ( 0.000 4.543 8.936) 10.024 10.712 ( 0.000 -0.677 -11.561) 11.580 10.712 ( 0.000 -0.677 11.561) 11.580 11.951 ( 0.000 4.732 -4.438) 6.488 11.951 ( 0.000 4.732 4.438) 6.488 12.157 ( 0.000 2.549 -2.958) 3.904 12.157 ( 0.000 2.549 2.958) 3.904 12.173 ( 0.000 1.456 -4.293) 4.534 12.173 ( 0.000 1.456 4.293) 4.534 12.347 ( 0.000 2.542 -2.123) 3.312 12.347 ( 0.000 2.542 2.123) 3.312 13.819 ( 0.000 -1.357 -10.042) 10.133 13.819 ( 0.000 -1.357 10.042) 10.133 14.135 ( 0.000 -2.913 -7.203) 7.770 14.135 ( 0.000 -2.913 7.203) 7.770 14.339 ( 0.000 -8.563 -2.165) 8.833 14.339 ( 0.000 -8.563 2.165) 8.833 14.518 ( 0.000 -6.828 -3.471) 7.660 14.518 ( 0.000 -6.828 3.471) 7.660 16.173 ( 0.000 4.226 -1.887) 4.628 16.173 ( 0.000 4.226 1.887) 4.628 16.638 ( 0.000 7.551 -8.955) 11.714 16.638 ( 0.000 7.551 8.955) 11.714 17.732 ( 0.000 -9.870 -6.221) 11.667 17.732 ( 0.000 -9.870 6.221) 11.667 18.185 ( 0.000 -6.526 -7.077) 9.626 18.185 ( 0.000 -6.526 7.077) 9.626 20.145 ( 0.000 8.430 -18.488) 20.320 20.145 ( 0.000 8.430 18.488) 20.320 20.755 ( 0.000 0.825 -10.050) 10.084 20.755 ( 0.000 0.825 10.050) 10.084 21.517 ( 0.000 -3.588 -2.737) 4.513 21.517 ( 0.000 -3.588 2.737) 4.513 21.999 ( 0.000 -9.799 -23.216) 25.199 21.999 ( 0.000 -9.799 23.216) 25.199 24.295 ( 0.000 1.195 -6.640) 6.747 24.295 ( 0.000 1.195 6.640) 6.747 24.781 ( 0.000 -5.164 -8.686) 10.105 24.781 ( 0.000 -5.164 8.686) 10.105 25.133 ( 0.000 3.776 -10.229) 10.904 25.133 ( 0.000 3.776 10.229) 10.904 25.468 ( 0.000 0.107 -10.923) 10.923 25.468 ( 0.000 0.107 10.923) 10.923 ======================= Grid point 143 (54/60) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.308 ( 3.163 4.578 -2.687) 6.179 2.308 ( 3.163 4.578 2.687) 6.179 2.377 ( -2.413 2.944 -6.795) 7.788 2.377 ( -2.413 2.944 6.795) 7.788 2.639 ( 0.597 2.546 -4.268) 5.005 2.639 ( 0.597 2.546 4.268) 5.005 2.694 ( -5.061 3.317 -1.709) 6.288 2.694 ( -5.061 3.317 1.709) 6.288 3.005 ( 4.252 2.335 -8.887) 10.125 3.005 ( 4.252 2.335 8.887) 10.125 3.128 ( -3.580 0.942 -4.271) 5.651 3.128 ( -3.580 0.942 4.271) 5.651 3.197 ( 10.633 3.175 -5.470) 12.372 3.197 ( 10.633 3.175 5.470) 12.372 3.509 ( -13.157 2.614 -4.890) 14.278 3.509 ( -13.157 2.614 4.890) 14.278 3.993 ( 11.507 -2.335 -11.847) 16.680 3.993 ( 11.507 -2.335 11.847) 16.680 4.246 ( -9.964 -2.535 -8.878) 13.584 4.246 ( -9.964 -2.536 8.878) 13.584 4.914 ( 12.166 -1.434 -2.075) 12.424 4.914 ( 12.166 -1.434 2.075) 12.424 5.166 ( -9.293 -0.072 -1.723) 9.452 5.166 ( -9.293 -0.072 1.723) 9.452 5.366 ( 1.841 0.620 -6.481) 6.766 5.366 ( 1.841 0.620 6.481) 6.766 5.428 ( -3.696 3.480 -7.585) 9.127 5.428 ( -3.696 3.480 7.585) 9.127 5.775 ( 6.674 -0.350 -3.138) 7.383 5.775 ( 6.674 -0.350 3.138) 7.383 5.906 ( -4.943 -3.023 -6.309) 8.565 5.906 ( -4.943 -3.023 6.309) 8.565 6.165 ( 4.565 0.513 -2.644) 5.300 6.165 ( 4.565 0.513 2.644) 5.300 6.247 ( -1.605 0.139 -6.672) 6.864 6.247 ( -1.605 0.139 6.672) 6.864 6.522 ( -0.476 2.389 -2.350) 3.384 6.522 ( -0.476 2.389 2.349) 3.384 6.563 ( -3.033 3.749 -5.539) 7.344 6.563 ( -3.033 3.749 5.539) 7.344 6.859 ( 0.813 0.774 -5.075) 5.198 6.859 ( 0.813 0.774 5.075) 5.198 6.893 ( -1.351 1.233 -4.741) 5.081 6.893 ( -1.351 1.233 4.741) 5.081 7.567 ( 10.085 2.629 -7.177) 12.654 7.567 ( 10.085 2.629 7.177) 12.654 7.813 ( -10.724 0.888 -5.215) 11.958 7.813 ( -10.724 0.888 5.215) 11.958 8.078 ( 4.321 2.202 -6.576) 8.171 8.078 ( 4.321 2.202 6.576) 8.171 8.153 ( -0.723 0.866 -5.399) 5.516 8.153 ( -0.723 0.866 5.399) 5.516 8.849 ( 0.065 -0.808 -4.560) 4.632 8.849 ( 0.065 -0.808 4.560) 4.632 8.901 ( -3.718 -1.099 -8.361) 9.216 8.901 ( -3.718 -1.099 8.361) 9.216 9.261 ( 1.783 -0.837 -3.766) 4.250 9.261 ( 1.783 -0.837 3.766) 4.250 9.302 ( -0.800 -1.104 -5.970) 6.124 9.302 ( -0.800 -1.104 5.970) 6.124 9.788 ( 10.449 4.216 -2.703) 11.588 9.788 ( 10.449 4.216 2.703) 11.588 10.052 ( -12.116 1.861 -3.876) 12.856 10.052 ( -12.116 1.861 3.876) 12.856 10.523 ( 7.874 0.609 -8.659) 11.719 10.523 ( 7.874 0.609 8.659) 11.719 10.662 ( -4.378 -0.281 -10.656) 11.524 10.662 ( -4.378 -0.281 10.656) 11.524 11.992 ( 3.655 3.643 -3.951) 6.499 11.992 ( 3.655 3.643 3.951) 6.499 12.098 ( -4.902 2.270 -3.100) 6.228 12.098 ( -4.902 2.270 3.100) 6.228 12.220 ( 4.010 2.690 -1.413) 5.032 12.220 ( 4.010 2.690 1.413) 5.032 12.309 ( -3.248 2.785 -0.584) 4.318 12.309 ( -3.248 2.785 0.584) 4.318 13.886 ( 5.542 -2.107 -9.224) 10.965 13.886 ( 5.542 -2.107 9.224) 10.965 14.034 ( -6.818 -3.155 -7.687) 10.748 14.034 ( -6.818 -3.155 7.687) 10.748 14.409 ( 4.280 -7.643 -2.292) 9.055 14.409 ( 4.280 -7.643 2.292) 9.055 14.489 ( -2.560 -7.069 -2.972) 8.085 14.489 ( -2.560 -7.069 2.972) 8.085 16.267 ( 7.992 4.710 -2.092) 9.509 16.267 ( 7.992 4.710 2.092) 9.509 16.492 ( -10.576 6.108 -5.711) 13.483 16.492 ( -10.576 6.108 5.711) 13.483 17.881 ( 10.657 -8.439 -7.628) 15.588 17.881 ( 10.657 -8.439 7.628) 15.588 18.100 ( -7.445 -7.022 -7.669) 12.789 18.100 ( -7.445 -7.022 7.669) 12.789 20.255 ( 9.608 7.071 -14.403) 18.702 20.255 ( 9.608 7.071 14.403) 18.702 20.541 ( -14.399 3.575 -2.238) 15.004 20.541 ( -14.399 3.575 2.238) 15.004 21.692 ( 11.484 -5.971 -10.434) 16.626 21.692 ( 11.484 -5.971 10.434) 16.626 21.915 ( -7.354 -8.751 -20.091) 23.115 21.915 ( -7.354 -8.751 20.091) 23.115 24.387 ( 7.773 0.409 -6.861) 10.376 24.387 ( 7.773 0.409 6.861) 10.376 24.610 ( -11.062 -1.895 -7.767) 13.649 24.610 ( -11.062 -1.895 7.767) 13.649 25.267 ( 8.015 1.196 -10.643) 13.377 25.267 ( 8.015 1.196 10.643) 13.377 25.415 ( -4.673 0.235 -10.899) 11.861 25.415 ( -4.673 0.236 10.899) 11.861 ======================= Grid point 147 (55/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.414 ( 0.000 7.036 -2.752) 7.555 2.414 ( 0.000 7.036 2.752) 7.555 2.484 ( 0.000 4.074 -7.934) 8.919 2.484 ( 0.000 4.074 7.934) 8.919 2.686 ( 0.000 3.883 -10.233) 10.945 2.686 ( 0.000 3.883 10.233) 10.945 2.900 ( 0.000 4.557 -7.260) 8.571 2.900 ( 0.000 4.557 7.260) 8.571 2.978 ( 0.000 2.020 -11.530) 11.706 2.978 ( 0.000 2.020 11.530) 11.706 2.997 ( 0.000 0.505 -7.240) 7.257 2.997 ( 0.000 0.505 7.240) 7.257 3.352 ( 0.000 7.247 -3.618) 8.100 3.352 ( 0.000 7.247 3.618) 8.100 3.788 ( 0.000 -2.269 -15.628) 15.792 3.788 ( 0.000 -2.270 15.628) 15.792 3.796 ( 0.000 5.533 -5.723) 7.961 3.796 ( 0.000 5.533 5.723) 7.961 4.338 ( 0.000 -3.606 -11.049) 11.622 4.338 ( 0.000 -3.606 11.049) 11.622 4.649 ( 0.000 -2.940 -2.875) 4.112 4.649 ( 0.000 -2.940 2.875) 4.112 5.175 ( 0.000 -10.140 -15.593) 18.600 5.175 ( 0.000 -10.140 15.593) 18.600 5.351 ( 0.000 1.994 -2.917) 3.533 5.351 ( 0.000 1.994 2.917) 3.533 5.536 ( 0.000 -2.515 -6.185) 6.677 5.536 ( 0.000 -2.515 6.185) 6.677 5.708 ( 0.000 2.004 -1.940) 2.789 5.708 ( 0.000 2.004 1.940) 2.789 5.924 ( 0.000 -1.265 -11.151) 11.223 5.924 ( 0.000 -1.265 11.151) 11.223 6.165 ( 0.000 4.190 -4.465) 6.123 6.165 ( 0.000 4.191 4.465) 6.123 6.244 ( 0.000 1.334 -12.460) 12.532 6.244 ( 0.000 1.334 12.460) 12.532 6.625 ( 0.000 6.836 -7.992) 10.517 6.625 ( 0.000 6.836 7.992) 10.517 6.641 ( 0.000 2.742 -11.766) 12.081 6.641 ( 0.000 2.742 11.766) 12.081 6.932 ( 0.000 3.696 -8.848) 9.589 6.932 ( 0.000 3.696 8.848) 9.589 6.943 ( 0.000 1.999 -7.795) 8.047 6.943 ( 0.000 1.999 7.795) 8.047 7.522 ( 0.000 3.723 -11.631) 12.213 7.522 ( 0.000 3.723 11.631) 12.213 7.964 ( 0.000 -3.239 -7.996) 8.627 7.964 ( 0.000 -3.239 7.996) 8.627 8.059 ( 0.000 0.842 -6.898) 6.949 8.059 ( 0.000 0.842 6.898) 6.949 8.165 ( 0.000 3.845 -6.851) 7.856 8.165 ( 0.000 3.845 6.851) 7.856 8.896 ( 0.000 2.041 -7.221) 7.504 8.896 ( 0.000 2.041 7.221) 7.504 8.909 ( 0.000 -0.189 -15.255) 15.256 8.909 ( 0.000 -0.189 15.255) 15.256 9.251 ( 0.000 -0.213 -9.671) 9.674 9.251 ( 0.000 -0.213 9.671) 9.674 9.257 ( 0.000 -0.326 -10.593) 10.598 9.257 ( 0.000 -0.326 10.593) 10.598 9.792 ( 0.000 6.315 -2.591) 6.826 9.792 ( 0.000 6.315 2.591) 6.826 10.202 ( 0.000 -4.848 -3.307) 5.868 10.202 ( 0.000 -4.848 3.307) 5.868 10.463 ( 0.000 6.422 -6.710) 9.288 10.463 ( 0.000 6.422 6.710) 9.288 10.695 ( 0.000 -0.817 -6.489) 6.540 10.695 ( 0.000 -0.817 6.489) 6.540 12.063 ( 0.000 5.067 -8.295) 9.720 12.063 ( 0.000 5.067 8.295) 9.720 12.210 ( 0.000 2.047 -6.288) 6.613 12.210 ( 0.000 2.047 6.288) 6.613 12.223 ( 0.000 3.044 -4.582) 5.501 12.223 ( 0.000 3.044 4.582) 5.501 12.400 ( 0.000 1.881 -4.757) 5.115 12.400 ( 0.000 1.881 4.757) 5.115 13.780 ( 0.000 -2.097 -3.558) 4.130 13.780 ( 0.000 -2.097 3.558) 4.130 14.074 ( 0.000 -2.287 -3.993) 4.602 14.074 ( 0.000 -2.287 3.993) 4.602 14.124 ( 0.000 -10.714 -2.334) 10.965 14.124 ( 0.000 -10.714 2.334) 10.965 14.326 ( 0.000 -10.234 -3.823) 10.925 14.326 ( 0.000 -10.234 3.823) 10.925 16.309 ( 0.000 8.496 -1.037) 8.559 16.309 ( 0.000 8.496 1.037) 8.559 16.849 ( 0.000 11.855 -8.895) 14.821 16.849 ( 0.000 11.855 8.895) 14.821 17.463 ( 0.000 -14.712 -8.059) 16.775 17.463 ( 0.000 -14.712 8.059) 16.775 17.994 ( 0.000 -11.243 -10.788) 15.581 17.994 ( 0.000 -11.243 10.788) 15.581 20.356 ( 0.000 10.545 -13.200) 16.895 20.356 ( 0.000 10.545 13.200) 16.895 20.776 ( 0.000 1.014 -13.458) 13.496 20.776 ( 0.000 1.014 13.458) 13.496 21.426 ( 0.000 -4.509 -5.881) 7.410 21.426 ( 0.000 -4.509 5.881) 7.410 21.739 ( 0.000 -13.555 -23.642) 27.252 21.739 ( 0.000 -13.555 23.642) 27.252 24.328 ( 0.000 1.804 -1.466) 2.325 24.328 ( 0.000 1.804 1.466) 2.325 24.648 ( 0.000 -6.797 -3.314) 7.562 24.648 ( 0.000 -6.797 3.314) 7.562 25.227 ( 0.000 4.637 -6.313) 7.833 25.227 ( 0.000 4.637 6.313) 7.833 25.461 ( 0.000 -0.858 -7.142) 7.194 25.461 ( 0.000 -0.858 7.142) 7.194 ======================= Grid point 149 (56/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.421 ( 1.013 5.617 -2.527) 6.242 2.421 ( 1.013 5.617 2.527) 6.242 2.458 ( -1.798 4.250 -3.587) 5.845 2.458 ( -1.798 4.250 3.587) 5.845 2.705 ( 1.871 3.679 -6.780) 7.938 2.705 ( 1.871 3.679 6.780) 7.938 2.790 ( -5.525 4.737 -2.543) 7.709 2.790 ( -5.525 4.737 2.543) 7.709 3.053 ( 6.477 1.915 -7.040) 9.756 3.053 ( 6.477 1.915 7.040) 9.756 3.137 ( 3.076 0.544 -3.318) 4.557 3.137 ( 3.076 0.544 3.318) 4.557 3.333 ( 3.818 8.947 -2.525) 10.050 3.333 ( 3.818 8.947 2.525) 10.050 3.591 ( -13.974 5.030 -2.127) 15.003 3.591 ( -13.974 5.030 2.127) 15.003 3.938 ( 10.125 -2.454 -12.821) 16.520 3.938 ( 10.125 -2.455 12.821) 16.520 4.180 ( -10.447 -3.298 -10.196) 14.966 4.180 ( -10.447 -3.298 10.196) 14.966 4.857 ( 13.076 -4.288 -3.622) 14.230 4.857 ( 13.076 -4.288 3.622) 14.230 5.109 ( -7.776 -6.327 -7.987) 12.818 5.109 ( -7.776 -6.327 7.987) 12.818 5.367 ( 3.526 -0.376 -4.459) 5.697 5.367 ( 3.526 -0.376 4.459) 5.697 5.482 ( -5.040 0.574 -5.278) 7.320 5.482 ( -5.040 0.574 5.278) 7.321 5.740 ( 3.507 -1.898 -4.945) 6.353 5.740 ( 3.507 -1.898 4.945) 6.353 5.845 ( -5.207 -1.875 -9.364) 10.877 5.845 ( -5.207 -1.875 9.364) 10.877 6.215 ( 4.021 3.965 -6.970) 8.971 6.215 ( 4.021 3.965 6.970) 8.971 6.279 ( -0.172 2.600 -2.017) 3.295 6.279 ( -0.172 2.600 2.017) 3.295 6.606 ( 1.978 5.365 -7.035) 9.065 6.606 ( 1.978 5.365 7.035) 9.065 6.680 ( -1.468 6.823 -8.629) 11.098 6.680 ( -1.468 6.823 8.629) 11.098 6.886 ( 0.087 1.972 -8.568) 8.792 6.886 ( 0.087 1.972 8.568) 8.792 6.935 ( -1.958 2.506 -8.202) 8.797 6.935 ( -1.958 2.506 8.202) 8.797 7.620 ( 7.611 2.016 -10.843) 13.400 7.620 ( 7.611 2.016 10.843) 13.400 7.815 ( -9.047 -1.013 -8.504) 12.458 7.815 ( -9.047 -1.013 8.504) 12.458 8.126 ( 3.418 1.492 -7.288) 8.187 8.126 ( 3.418 1.492 7.288) 8.187 8.181 ( -0.525 1.649 -6.921) 7.134 8.181 ( -0.525 1.649 6.921) 7.134 8.837 ( -0.046 0.459 -8.335) 8.347 8.837 ( -0.046 0.459 8.335) 8.347 8.899 ( -3.630 0.943 -7.031) 7.969 8.899 ( -3.630 0.943 7.031) 7.969 9.254 ( 2.200 0.419 -7.546) 7.872 9.254 ( 2.200 0.419 7.546) 7.872 9.291 ( -0.109 0.233 -9.832) 9.835 9.291 ( -0.109 0.233 9.832) 9.835 9.885 ( 7.545 4.328 -2.532) 9.059 9.885 ( 7.545 4.328 2.532) 9.059 10.079 ( -8.604 0.072 -0.979) 8.659 10.079 ( -8.604 0.072 0.979) 8.659 10.550 ( 5.484 2.152 -4.545) 7.441 10.550 ( 5.484 2.152 4.545) 7.441 10.656 ( -3.469 -0.233 -5.526) 6.529 10.656 ( -3.469 -0.233 5.526) 6.529 12.078 ( 1.972 3.894 -7.590) 8.756 12.078 ( 1.972 3.894 7.590) 8.756 12.152 ( -3.947 2.581 -5.972) 7.609 12.152 ( -3.947 2.581 5.972) 7.609 12.289 ( 4.347 3.229 -3.562) 6.482 12.289 ( 4.347 3.229 3.562) 6.482 12.373 ( -2.605 2.638 -3.776) 5.292 12.373 ( -2.605 2.638 3.776) 5.292 13.831 ( 4.351 -2.764 -3.128) 6.030 13.831 ( 4.351 -2.764 3.128) 6.030 13.955 ( -6.246 -3.983 -2.635) 7.863 13.955 ( -6.246 -3.983 2.635) 7.863 14.221 ( 4.427 -8.952 -3.126) 10.464 14.221 ( 4.427 -8.952 3.127) 10.464 14.298 ( -2.422 -9.834 -3.654) 10.767 14.298 ( -2.422 -9.834 3.654) 10.767 16.408 ( 8.513 8.328 -1.936) 12.065 16.408 ( 8.513 8.328 1.936) 12.065 16.657 ( -12.538 8.881 -5.359) 16.273 16.657 ( -12.538 8.881 5.359) 16.273 17.657 ( 12.610 -11.769 -10.255) 20.067 17.657 ( 12.610 -11.769 10.255) 20.067 17.902 ( -8.053 -11.159 -11.027) 17.635 17.902 ( -8.053 -11.159 11.027) 17.635 20.433 ( 6.720 8.880 -9.388) 14.566 20.433 ( 6.720 8.880 9.388) 14.566 20.632 ( -9.937 4.512 -2.874) 11.286 20.632 ( -9.937 4.512 2.874) 11.286 21.537 ( 7.471 -7.895 -10.861) 15.366 21.537 ( 7.471 -7.895 10.861) 15.366 21.683 ( -4.864 -12.004 -20.375) 24.143 21.683 ( -4.864 -12.004 20.375) 24.143 24.396 ( 5.678 0.408 -0.714) 5.737 24.396 ( 5.678 0.408 0.714) 5.737 24.551 ( -7.116 -3.457 -1.876) 8.131 24.551 ( -7.116 -3.457 1.876) 8.131 25.304 ( 5.424 2.110 -6.622) 8.816 25.304 ( 5.424 2.110 6.622) 8.816 25.416 ( -3.870 -0.205 -7.022) 8.020 25.416 ( -3.870 -0.205 7.022) 8.020 ======================= Grid point 153 (57/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.533 ( 0.000 3.807 -2.055) 4.326 2.533 ( 0.000 3.807 2.055) 4.326 2.554 ( 0.000 2.246 -3.562) 4.211 2.554 ( 0.000 2.246 3.562) 4.211 2.796 ( 0.000 6.228 -12.088) 13.598 2.796 ( 0.000 6.228 12.087) 13.598 2.972 ( 0.000 0.681 -12.101) 12.121 2.972 ( 0.000 0.681 12.102) 12.121 3.013 ( 0.000 1.614 -8.645) 8.794 3.013 ( 0.000 1.614 8.645) 8.794 3.026 ( 0.000 1.952 -11.100) 11.270 3.026 ( 0.000 1.952 11.100) 11.271 3.545 ( 0.000 10.683 -12.413) 16.377 3.545 ( 0.000 10.683 12.413) 16.377 3.747 ( 0.000 -1.254 -13.338) 13.397 3.747 ( 0.000 -1.254 13.338) 13.397 3.876 ( 0.000 1.978 -5.989) 6.307 3.876 ( 0.000 1.978 5.989) 6.307 4.208 ( 0.000 -9.323 -15.726) 18.281 4.208 ( 0.000 -9.323 15.726) 18.281 4.656 ( 0.000 4.090 -9.877) 10.690 4.656 ( 0.000 4.090 9.877) 10.690 4.952 ( 0.000 -9.426 -18.092) 20.400 4.952 ( 0.000 -9.426 18.092) 20.400 5.360 ( 0.000 -1.158 -3.213) 3.415 5.360 ( 0.000 -1.158 3.213) 3.415 5.427 ( 0.000 -5.979 -1.269) 6.112 5.427 ( 0.000 -5.979 1.269) 6.112 5.754 ( 0.000 2.843 -1.903) 3.421 5.754 ( 0.000 2.843 1.903) 3.421 5.895 ( 0.000 -2.247 -6.657) 7.026 5.895 ( 0.000 -2.247 6.657) 7.026 6.254 ( 0.000 3.836 -7.808) 8.700 6.254 ( 0.000 3.836 7.808) 8.699 6.292 ( 0.000 2.225 -11.955) 12.160 6.292 ( 0.000 2.225 11.955) 12.160 6.718 ( 0.000 4.186 -11.823) 12.542 6.718 ( 0.000 4.186 11.823) 12.542 6.780 ( 0.000 5.286 -5.922) 7.938 6.780 ( 0.000 5.286 5.922) 7.938 6.987 ( 0.000 2.641 -13.092) 13.356 6.987 ( 0.000 2.641 13.092) 13.356 7.008 ( 0.000 3.176 -10.360) 10.836 7.008 ( 0.000 3.176 10.360) 10.836 7.602 ( 0.000 4.386 -11.692) 12.487 7.602 ( 0.000 4.386 11.692) 12.487 7.857 ( 0.000 -6.320 -7.735) 9.988 7.857 ( 0.000 -6.320 7.735) 9.988 8.075 ( 0.000 1.154 -11.041) 11.101 8.075 ( 0.000 1.154 11.041) 11.101 8.201 ( 0.000 -1.335 -11.291) 11.369 8.201 ( 0.000 -1.335 11.291) 11.369 8.950 ( 0.000 3.477 -12.459) 12.935 8.950 ( 0.000 3.477 12.459) 12.935 8.963 ( 0.000 3.863 -10.259) 10.962 8.963 ( 0.000 3.863 10.259) 10.962 9.253 ( 0.000 -0.138 -13.048) 13.049 9.253 ( 0.000 -0.138 13.048) 13.049 9.256 ( 0.000 0.288 -10.336) 10.340 9.256 ( 0.000 0.288 10.336) 10.340 9.910 ( 0.000 4.719 -0.518) 4.747 9.910 ( 0.000 4.719 0.518) 4.747 10.094 ( 0.000 -5.026 -4.197) 6.548 10.094 ( 0.000 -5.026 4.197) 6.548 10.587 ( 0.000 4.820 -5.040) 6.974 10.587 ( 0.000 4.820 5.040) 6.974 10.679 ( 0.000 -0.711 -3.800) 3.865 10.679 ( 0.000 -0.711 3.800) 3.865 12.149 ( 0.000 3.167 -13.031) 13.411 12.149 ( 0.000 3.167 13.031) 13.411 12.256 ( 0.000 -0.462 -8.479) 8.491 12.256 ( 0.000 -0.462 8.479) 8.491 12.267 ( 0.000 3.521 -10.267) 10.854 12.267 ( 0.000 3.521 10.267) 10.855 12.409 ( 0.000 -1.212 -7.223) 7.324 12.409 ( 0.000 -1.212 7.223) 7.324 13.749 ( 0.000 -0.279 -5.103) 5.111 13.749 ( 0.000 -0.279 5.103) 5.111 13.916 ( 0.000 -8.449 -2.936) 8.944 13.916 ( 0.000 -8.449 2.936) 8.944 14.046 ( 0.000 -0.432 -6.410) 6.424 14.046 ( 0.000 -0.432 6.410) 6.424 14.138 ( 0.000 -6.535 -2.733) 7.083 14.138 ( 0.000 -6.535 2.733) 7.083 16.527 ( 0.000 12.041 -3.108) 12.436 16.527 ( 0.000 12.041 3.108) 12.436 17.123 ( 0.000 13.829 -10.019) 17.077 17.123 ( 0.000 13.829 10.019) 17.077 17.136 ( 0.000 -15.770 -8.174) 17.763 17.136 ( 0.000 -15.770 8.174) 17.763 17.725 ( 0.000 -13.766 -12.378) 18.513 17.725 ( 0.000 -13.766 12.378) 18.513 20.566 ( 0.000 8.985 -8.326) 12.249 20.566 ( 0.000 8.985 8.326) 12.249 20.784 ( 0.000 -0.715 -16.281) 16.296 20.784 ( 0.000 -0.715 16.281) 16.296 21.344 ( 0.000 -2.746 -11.186) 11.518 21.344 ( 0.000 -2.746 11.186) 11.518 21.475 ( 0.000 -10.372 -24.547) 26.648 21.475 ( 0.000 -10.372 24.547) 26.648 24.370 ( 0.000 2.177 -4.228) 4.756 24.370 ( 0.000 2.177 4.228) 4.756 24.516 ( 0.000 -5.353 -3.984) 6.673 24.516 ( 0.000 -5.353 3.984) 6.673 25.317 ( 0.000 3.677 -3.582) 5.133 25.317 ( 0.000 3.677 3.582) 5.133 25.431 ( 0.000 -1.883 -4.902) 5.251 25.431 ( 0.000 -1.883 4.902) 5.251 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.522 ( -0.065 3.371 -5.167) 6.170 2.522 ( -0.065 3.371 5.167) 6.170 2.541 ( -1.270 3.256 -7.583) 8.350 2.541 ( -1.270 3.256 7.583) 8.350 2.786 ( 0.883 3.608 -8.286) 9.081 2.786 ( 0.883 3.608 8.286) 9.081 2.857 ( -5.363 1.438 -4.547) 7.177 2.857 ( -5.364 1.438 4.547) 7.177 3.086 ( 6.615 1.188 -10.409) 12.390 3.086 ( 6.615 1.188 10.409) 12.390 3.157 ( 2.093 0.905 -8.325) 8.631 3.157 ( 2.093 0.905 8.325) 8.631 3.548 ( 2.739 10.359 -13.783) 17.458 3.548 ( 2.739 10.359 13.783) 17.458 3.694 ( -8.031 3.551 -7.112) 11.300 3.694 ( -8.031 3.551 7.112) 11.300 3.910 ( 7.925 0.450 -12.448) 14.764 3.910 ( 7.925 0.450 12.448) 14.764 4.122 ( -8.522 -2.166 -12.579) 15.348 4.122 ( -8.522 -2.166 12.579) 15.348 4.733 ( 7.745 -6.241 -4.702) 11.002 4.733 ( 7.745 -6.241 4.702) 11.002 4.918 ( -5.979 -10.210 -10.841) 16.048 4.918 ( -5.979 -10.210 10.841) 16.048 5.360 ( 4.133 0.106 -5.217) 6.656 5.360 ( 4.133 0.106 5.217) 6.656 5.463 ( -1.669 -1.572 -4.058) 4.661 5.463 ( -1.669 -1.572 4.059) 4.661 5.729 ( 0.660 0.642 -5.156) 5.237 5.729 ( 0.660 0.642 5.156) 5.237 5.816 ( -5.442 -1.371 -8.066) 9.827 5.816 ( -5.442 -1.371 8.066) 9.827 6.305 ( 3.316 3.851 -8.729) 10.101 6.305 ( 3.316 3.851 8.729) 10.101 6.336 ( 1.303 2.292 -4.727) 5.412 6.336 ( 1.303 2.292 4.727) 5.412 6.721 ( 2.859 4.885 -8.531) 10.238 6.721 ( 2.859 4.885 8.531) 10.238 6.816 ( -1.480 4.755 -8.465) 9.822 6.816 ( -1.480 4.755 8.465) 9.822 6.942 ( -0.935 2.902 -8.763) 9.278 6.942 ( -0.935 2.902 8.763) 9.278 6.984 ( -1.876 1.900 -9.219) 9.597 6.984 ( -1.876 1.900 9.219) 9.597 7.659 ( 4.535 1.978 -12.000) 12.980 7.659 ( 4.535 1.978 12.000) 12.980 7.777 ( -5.430 -2.133 -9.050) 10.767 7.777 ( -5.430 -2.133 9.050) 10.767 8.133 ( 3.550 -0.239 -10.367) 10.960 8.133 ( 3.550 -0.239 10.367) 10.960 8.192 ( -1.324 -1.206 -10.995) 11.140 8.192 ( -1.324 -1.206 10.995) 11.140 8.882 ( -0.907 3.392 -5.477) 6.506 8.882 ( -0.907 3.392 5.477) 6.506 8.934 ( -4.016 1.857 -4.289) 6.162 8.934 ( -4.016 1.857 4.289) 6.162 9.278 ( 2.851 1.620 -5.771) 6.637 9.278 ( 2.851 1.620 5.771) 6.637 9.307 ( 0.956 0.840 -6.473) 6.597 9.307 ( 0.956 0.840 6.473) 6.597 9.958 ( 3.916 2.516 -1.474) 4.883 9.958 ( 3.916 2.516 1.474) 4.883 10.051 ( -3.591 -2.248 -2.998) 5.190 10.051 ( -3.591 -2.248 2.998) 5.190 10.607 ( 1.737 2.712 -3.634) 4.856 10.607 ( 1.737 2.712 3.634) 4.856 10.654 ( -2.033 0.024 -3.122) 3.726 10.654 ( -2.033 0.024 3.122) 3.726 12.145 ( 1.020 2.451 -12.182) 12.468 12.145 ( 1.020 2.451 12.182) 12.468 12.205 ( -3.735 2.431 -10.110) 11.049 12.205 ( -3.735 2.431 10.110) 11.049 12.330 ( 4.287 0.421 -6.608) 7.888 12.330 ( 4.287 0.421 6.608) 7.888 12.401 ( -1.539 -0.179 -6.582) 6.762 12.401 ( -1.539 -0.179 6.582) 6.762 13.786 ( 3.056 -1.149 -3.614) 4.870 13.786 ( 3.056 -1.149 3.614) 4.870 13.867 ( -3.601 -4.308 -0.274) 5.622 13.867 ( -3.601 -4.308 0.274) 5.622 14.077 ( 2.157 -3.981 -4.547) 6.417 14.077 ( 2.157 -3.981 4.547) 6.417 14.121 ( -1.497 -6.063 -2.909) 6.890 14.121 ( -1.497 -6.063 2.909) 6.889 16.607 ( 6.937 10.066 -3.497) 12.715 16.607 ( 6.937 10.066 3.497) 12.715 16.825 ( -12.208 5.323 -5.557) 14.431 16.825 ( -12.208 5.323 5.557) 14.431 17.436 ( 12.284 -7.252 -11.253) 18.169 17.436 ( 12.284 -7.252 11.253) 18.169 17.652 ( -6.595 -11.883 -12.265) 18.307 17.652 ( -6.595 -11.883 12.265) 18.307 20.605 ( 3.507 7.014 -7.091) 10.572 20.605 ( 3.507 7.014 7.091) 10.572 20.711 ( -5.250 2.427 -10.233) 11.755 20.711 ( -5.250 2.427 10.234) 11.755 21.389 ( 3.135 -5.461 -14.088) 15.431 21.389 ( 3.135 -5.461 14.088) 15.431 21.452 ( -2.070 -8.919 -21.579) 23.441 21.452 ( -2.070 -8.919 21.579) 23.441 24.406 ( 2.912 0.625 -3.798) 4.827 24.406 ( 2.912 0.625 3.798) 4.827 24.479 ( -3.000 -3.061 -3.591) 5.591 24.479 ( -3.000 -3.061 3.591) 5.591 25.348 ( 2.455 1.907 -3.838) 4.939 25.348 ( 2.455 1.907 3.838) 4.939 25.405 ( -2.179 -0.805 -4.543) 5.102 25.405 ( -2.179 -0.805 4.543) 5.102 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 0.000 -0.197 -1.875) 1.885 2.575 ( 0.000 0.197 -1.875) 1.885 2.575 ( 0.000 -0.197 1.875) 1.885 2.575 ( 0.000 0.197 1.875) 1.885 2.922 ( 0.000 -4.260 -11.771) 12.518 2.922 ( 0.000 4.260 -11.771) 12.518 2.922 ( 0.000 -4.260 11.771) 12.518 2.922 ( 0.000 4.260 11.771) 12.518 3.042 ( 0.000 -0.073 -9.142) 9.143 3.042 ( 0.000 0.073 -9.142) 9.143 3.042 ( 0.000 -0.073 9.142) 9.142 3.042 ( 0.000 0.073 9.142) 9.142 3.721 ( 0.000 -2.886 -10.560) 10.948 3.721 ( 0.000 2.887 -10.560) 10.948 3.721 ( 0.000 -2.887 10.561) 10.948 3.721 ( 0.000 2.887 10.561) 10.948 3.973 ( 0.000 -9.548 -17.531) 19.962 3.973 ( 0.000 9.548 -17.531) 19.962 3.973 ( 0.000 -9.548 17.531) 19.962 3.973 ( 0.000 9.548 17.531) 19.962 4.786 ( 0.000 -6.636 -17.799) 18.996 4.786 ( 0.000 6.636 -17.799) 18.996 4.786 ( 0.000 -6.636 17.799) 18.996 4.786 ( 0.000 6.636 17.799) 18.996 5.344 ( 0.000 -0.554 -3.795) 3.835 5.344 ( 0.000 0.554 -3.795) 3.835 5.344 ( 0.000 -0.554 3.795) 3.835 5.344 ( 0.000 0.554 3.795) 3.835 5.828 ( 0.000 -3.595 -4.307) 5.610 5.828 ( 0.000 3.595 -4.307) 5.610 5.828 ( 0.000 -3.595 4.307) 5.610 5.828 ( 0.000 3.595 4.307) 5.610 6.308 ( 0.000 -0.931 -10.480) 10.521 6.308 ( 0.000 0.931 -10.480) 10.521 6.308 ( 0.000 -0.931 10.480) 10.521 6.308 ( 0.000 0.931 10.480) 10.521 6.797 ( 0.000 -2.268 -7.439) 7.777 6.797 ( 0.000 2.268 -7.439) 7.777 6.797 ( 0.000 -2.268 7.439) 7.777 6.797 ( 0.000 2.268 7.439) 7.777 7.040 ( 0.000 -0.812 -12.605) 12.631 7.040 ( 0.000 0.812 -12.605) 12.631 7.040 ( 0.000 -0.812 12.605) 12.631 7.040 ( 0.000 0.812 12.605) 12.631 7.717 ( 0.000 -6.238 -10.005) 11.791 7.717 ( 0.000 6.238 -10.005) 11.791 7.717 ( 0.000 -6.238 10.005) 11.791 7.717 ( 0.000 6.238 10.005) 11.791 8.130 ( 0.000 -3.988 -12.772) 13.380 8.130 ( 0.000 3.988 -12.772) 13.380 8.130 ( 0.000 -3.988 12.772) 13.380 8.130 ( 0.000 3.988 12.772) 13.380 9.008 ( 0.000 -0.642 -11.561) 11.578 9.008 ( 0.000 0.642 -11.561) 11.578 9.008 ( 0.000 -0.642 11.561) 11.578 9.008 ( 0.000 0.642 11.561) 11.578 9.254 ( 0.000 -0.321 -12.374) 12.378 9.254 ( 0.000 0.321 -12.374) 12.378 9.254 ( 0.000 -0.321 12.374) 12.378 9.254 ( 0.000 0.321 12.374) 12.378 9.998 ( 0.000 -4.033 -2.402) 4.694 9.998 ( 0.000 -4.033 2.402) 4.694 9.998 ( 0.000 4.033 -2.402) 4.694 9.998 ( 0.000 4.033 2.402) 4.694 10.656 ( 0.000 -1.837 -3.402) 3.867 10.656 ( 0.000 1.837 -3.402) 3.867 10.656 ( 0.000 -1.837 3.402) 3.867 10.656 ( 0.000 1.837 3.402) 3.867 12.212 ( 0.000 -2.515 -11.737) 12.003 12.212 ( 0.000 2.515 -11.737) 12.003 12.212 ( 0.000 -2.515 11.737) 12.003 12.212 ( 0.000 2.515 11.737) 12.004 12.351 ( 0.000 -3.555 -9.359) 10.011 12.351 ( 0.000 3.555 -9.359) 10.011 12.351 ( 0.000 -3.555 9.359) 10.011 12.351 ( 0.000 3.555 9.359) 10.011 13.784 ( 0.000 -3.845 -4.971) 6.284 13.784 ( 0.000 3.845 -4.971) 6.284 13.784 ( 0.000 -3.845 4.971) 6.284 13.784 ( 0.000 3.845 4.971) 6.284 14.056 ( 0.000 -1.675 -5.657) 5.899 14.056 ( 0.000 1.675 -5.657) 5.899 14.056 ( 0.000 -1.675 5.657) 5.899 14.056 ( 0.000 1.675 5.657) 5.899 16.812 ( 0.000 -14.629 -6.363) 15.953 16.812 ( 0.000 -14.629 6.363) 15.953 16.812 ( 0.000 14.629 -6.363) 15.953 16.812 ( 0.000 14.629 6.363) 15.953 17.424 ( 0.000 -14.437 -11.766) 18.624 17.424 ( 0.000 14.437 -11.766) 18.624 17.424 ( 0.000 -14.437 11.766) 18.624 17.424 ( 0.000 14.437 11.766) 18.624 20.722 ( 0.000 -5.391 -12.873) 13.956 20.722 ( 0.000 5.391 -12.873) 13.956 20.722 ( 0.000 -5.391 12.873) 13.956 20.722 ( 0.000 5.391 12.873) 13.956 21.335 ( 0.000 -2.568 -20.051) 20.215 21.335 ( 0.000 2.568 -20.051) 20.215 21.335 ( 0.000 -2.568 20.051) 20.215 21.335 ( 0.000 2.568 20.051) 20.215 24.426 ( 0.000 -3.267 -5.201) 6.142 24.426 ( 0.000 3.267 -5.201) 6.142 24.426 ( 0.000 -3.267 5.201) 6.142 24.426 ( 0.000 3.267 5.201) 6.142 25.383 ( 0.000 -2.660 -3.421) 4.334 25.383 ( 0.000 2.660 -3.421) 4.334 25.383 ( 0.000 -2.660 3.421) 4.334 25.383 ( 0.000 2.660 3.421) 4.334 ======================= Grid point 163 (60/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 0.103 0.000 -5.111) 5.112 2.558 ( 0.103 0.000 5.111) 5.112 2.578 ( -0.904 0.000 -6.527) 6.589 2.578 ( -0.904 0.000 6.527) 6.589 2.834 ( -1.589 0.000 -8.961) 9.101 2.834 ( -1.589 0.000 8.961) 9.101 2.865 ( -4.588 0.000 -4.732) 6.591 2.865 ( -4.588 0.000 4.732) 6.591 3.098 ( 6.574 0.000 -13.225) 14.769 3.098 ( 6.574 0.000 13.225) 14.769 3.167 ( 1.632 0.000 -10.635) 10.760 3.167 ( 1.632 0.000 10.635) 10.760 3.679 ( -0.091 0.000 -10.546) 10.546 3.679 ( -0.091 0.000 10.546) 10.546 3.725 ( -3.403 0.000 -7.095) 7.869 3.725 ( -3.403 0.000 7.095) 7.869 3.954 ( 6.119 0.000 -25.593) 26.315 3.954 ( 6.119 0.000 25.593) 26.315 4.072 ( -0.627 0.000 -23.142) 23.150 4.072 ( -0.627 0.000 23.142) 23.150 4.676 ( -0.975 0.000 -11.312) 11.354 4.676 ( -0.975 0.000 11.312) 11.354 4.766 ( -5.847 -0.000 -12.400) 13.709 4.766 ( -5.847 0.000 12.400) 13.709 5.371 ( 5.120 0.000 -6.170) 8.018 5.371 ( 5.120 0.000 6.170) 8.018 5.436 ( 1.701 0.000 -3.777) 4.142 5.436 ( 1.701 0.000 3.777) 4.142 5.747 ( -2.160 0.000 -3.805) 4.375 5.747 ( -2.160 0.000 3.805) 4.375 5.791 ( -4.284 0.000 -8.339) 9.375 5.791 ( -4.284 0.000 8.339) 9.375 6.356 ( 2.632 -0.000 -9.811) 10.158 6.356 ( 2.632 -0.000 9.811) 10.158 6.357 ( 2.194 0.000 -13.210) 13.391 6.357 ( 2.194 0.000 13.210) 13.391 6.783 ( 2.778 0.000 -8.847) 9.273 6.783 ( 2.778 0.000 8.847) 9.273 6.858 ( 0.411 0.000 -11.874) 11.881 6.858 ( 0.411 0.000 11.874) 11.881 6.980 ( -2.865 0.000 -10.818) 11.191 6.980 ( -2.865 0.000 10.818) 11.190 7.007 ( -2.798 0.000 -10.525) 10.891 7.007 ( -2.798 0.000 10.525) 10.891 7.694 ( 1.487 0.000 -13.115) 13.199 7.694 ( 1.487 0.000 13.115) 13.199 7.744 ( -1.299 0.000 -9.629) 9.716 7.744 ( -1.299 0.000 9.629) 9.716 8.144 ( 1.289 0.000 -12.734) 12.799 8.144 ( 1.289 0.000 12.734) 12.799 8.152 ( 0.758 -0.000 -12.080) 12.104 8.152 ( 0.758 -0.000 12.080) 12.104 8.938 ( -2.765 -0.000 -12.399) 12.704 8.938 ( -2.765 0.000 12.399) 12.704 8.948 ( -3.307 0.000 -14.948) 15.309 8.948 ( -3.307 0.000 14.948) 15.309 9.308 ( 2.468 -0.296 -10.648) 10.935 9.308 ( 2.474 0.213 -10.630) 10.916 9.309 ( 2.473 -0.215 10.631) 10.917 9.309 ( 2.469 0.299 10.647) 10.933 10.000 ( 0.392 -0.000 -1.923) 1.963 10.000 ( 0.392 -0.000 1.923) 1.963 10.006 ( 0.073 0.000 -1.871) 1.873 10.006 ( 0.073 0.000 1.871) 1.873 10.647 ( -0.505 0.000 -3.094) 3.135 10.647 ( -0.505 0.000 3.094) 3.135 10.647 ( -0.503 -0.000 -3.564) 3.600 10.647 ( -0.503 -0.000 3.564) 3.600 12.176 ( 0.759 0.000 -12.253) 12.277 12.176 ( 0.759 0.000 12.253) 12.277 12.237 ( -3.775 0.000 -8.590) 9.383 12.237 ( -3.775 0.000 8.590) 9.383 12.327 ( 3.774 0.000 -6.880) 7.848 12.327 ( 3.774 0.000 6.880) 7.848 12.387 ( -0.698 0.000 -8.211) 8.240 12.387 ( -0.698 0.000 8.211) 8.240 13.791 ( 0.718 -0.000 -1.470) 1.636 13.791 ( 0.718 0.000 1.470) 1.636 13.797 ( 0.382 0.000 -5.912) 5.924 13.797 ( 0.382 0.000 5.912) 5.924 14.044 ( -0.171 0.000 -7.164) 7.166 14.044 ( -0.171 -0.000 7.164) 7.166 14.053 ( -0.628 0.000 -3.716) 3.768 14.053 ( -0.628 0.000 3.716) 3.768 16.798 ( -0.145 0.000 -7.093) 7.095 16.798 ( -0.145 0.000 7.093) 7.095 16.809 ( -0.729 -0.000 -10.516) 10.541 16.809 ( -0.729 0.000 10.516) 10.541 17.429 ( 1.010 -0.000 -15.320) 15.353 17.429 ( 1.010 -0.000 15.320) 15.353 17.443 ( 0.232 0.000 -14.253) 14.255 17.443 ( 0.232 0.000 14.253) 14.255 20.707 ( -0.280 0.000 -17.287) 17.289 20.707 ( -0.280 0.000 17.287) 17.289 20.717 ( -0.832 0.000 -14.436) 14.460 20.717 ( -0.832 0.000 14.436) 14.460 21.330 ( 0.626 0.000 -21.334) 21.343 21.330 ( 0.626 0.000 21.334) 21.344 21.346 ( -0.258 0.000 -24.224) 24.226 21.346 ( -0.258 0.000 24.224) 24.226 24.425 ( 0.320 0.000 -4.948) 4.959 24.425 ( 0.320 0.000 4.948) 4.959 24.432 ( -0.024 0.000 -5.000) 5.000 24.432 ( -0.024 0.000 5.000) 5.000 25.381 ( 0.029 0.000 -3.045) 3.045 25.381 ( 0.029 -0.000 3.045) 3.045 25.384 ( -0.109 0.000 -3.281) 3.283 25.384 ( -0.109 0.000 3.281) 3.283 =================== 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 3/25920 10.0 351.204 404.931 500.936 0.000 0.000 -0.000 3/25920 20.0 125.379 124.530 172.931 0.000 0.000 -0.000 3/25920 30.0 62.562 57.377 82.840 0.000 0.000 -0.000 3/25920 40.0 38.011 33.412 50.936 0.000 0.000 -0.000 3/25920 50.0 25.914 22.252 35.468 0.000 0.000 -0.000 3/25920 60.0 19.061 16.186 26.638 0.000 0.000 -0.000 3/25920 70.0 14.810 12.524 21.080 0.000 0.000 -0.000 3/25920 80.0 11.989 10.135 17.333 0.000 0.000 -0.000 3/25920 90.0 10.015 8.478 14.671 0.000 0.000 -0.000 3/25920 100.0 8.573 7.275 12.699 0.000 0.000 -0.000 3/25920 110.0 7.483 6.367 11.190 0.000 0.000 -0.000 3/25920 120.0 6.634 5.661 10.001 0.000 0.000 -0.000 3/25920 130.0 5.958 5.097 9.045 0.000 0.000 -0.000 3/25920 140.0 5.407 4.638 8.259 0.000 0.000 -0.000 3/25920 150.0 4.951 4.257 7.604 0.000 0.000 -0.000 3/25920 160.0 4.568 3.936 7.050 0.000 0.000 -0.000 3/25920 170.0 4.241 3.662 6.576 0.000 0.000 -0.000 3/25920 180.0 3.961 3.426 6.165 0.000 0.000 -0.000 3/25920 190.0 3.716 3.220 5.806 0.000 0.000 -0.000 3/25920 200.0 3.502 3.039 5.489 0.000 0.000 -0.000 3/25920 210.0 3.312 2.879 5.207 0.000 0.000 -0.000 3/25920 220.0 3.143 2.735 4.955 0.000 0.000 -0.000 3/25920 230.0 2.991 2.607 4.729 0.000 0.000 -0.000 3/25920 240.0 2.854 2.490 4.523 0.000 0.000 -0.000 3/25920 250.0 2.730 2.384 4.336 0.000 0.000 -0.000 3/25920 260.0 2.617 2.288 4.165 0.000 0.000 -0.000 3/25920 270.0 2.514 2.199 4.008 0.000 0.000 -0.000 3/25920 280.0 2.419 2.117 3.864 0.000 0.000 -0.000 3/25920 290.0 2.331 2.042 3.730 0.000 0.000 -0.000 3/25920 300.0 2.249 1.972 3.605 0.000 0.000 -0.000 3/25920 310.0 2.174 1.907 3.489 0.000 0.000 -0.000 3/25920 320.0 2.104 1.846 3.381 0.000 0.000 -0.000 3/25920 330.0 2.038 1.790 3.279 0.000 0.000 -0.000 3/25920 340.0 1.976 1.737 3.184 0.000 0.000 -0.000 3/25920 350.0 1.919 1.687 3.094 0.000 0.000 -0.000 3/25920 360.0 1.864 1.639 3.010 0.000 0.000 -0.000 3/25920 370.0 1.813 1.595 2.930 0.000 0.000 -0.000 3/25920 380.0 1.765 1.553 2.854 0.000 0.000 -0.000 3/25920 390.0 1.719 1.513 2.783 0.000 0.000 -0.000 3/25920 400.0 1.675 1.476 2.715 0.000 0.000 -0.000 3/25920 410.0 1.634 1.440 2.650 0.000 0.000 -0.000 3/25920 420.0 1.595 1.406 2.589 0.000 0.000 -0.000 3/25920 430.0 1.558 1.373 2.530 0.000 0.000 -0.000 3/25920 440.0 1.522 1.342 2.474 0.000 0.000 -0.000 3/25920 450.0 1.488 1.313 2.420 0.000 0.000 -0.000 3/25920 460.0 1.456 1.284 2.369 0.000 0.000 -0.000 3/25920 470.0 1.425 1.257 2.320 0.000 0.000 -0.000 3/25920 480.0 1.395 1.231 2.273 0.000 0.000 -0.000 3/25920 490.0 1.367 1.206 2.227 0.000 0.000 -0.000 3/25920 500.0 1.340 1.183 2.184 0.000 0.000 -0.000 3/25920 510.0 1.314 1.160 2.142 0.000 0.000 -0.000 3/25920 520.0 1.288 1.138 2.102 0.000 0.000 -0.000 3/25920 530.0 1.264 1.116 2.063 0.000 0.000 -0.000 3/25920 540.0 1.241 1.096 2.026 0.000 0.000 -0.000 3/25920 550.0 1.218 1.076 1.990 0.000 0.000 -0.000 3/25920 560.0 1.197 1.057 1.956 0.000 0.000 -0.000 3/25920 570.0 1.176 1.039 1.922 0.000 0.000 -0.000 3/25920 580.0 1.156 1.021 1.890 0.000 0.000 -0.000 3/25920 590.0 1.136 1.004 1.858 0.000 0.000 -0.000 3/25920 600.0 1.117 0.988 1.828 0.000 0.000 -0.000 3/25920 610.0 1.099 0.972 1.799 0.000 0.000 -0.000 3/25920 620.0 1.082 0.956 1.771 0.000 0.000 -0.000 3/25920 630.0 1.065 0.941 1.743 0.000 0.000 -0.000 3/25920 640.0 1.048 0.927 1.716 0.000 0.000 -0.000 3/25920 650.0 1.032 0.912 1.691 0.000 0.000 -0.000 3/25920 660.0 1.017 0.899 1.666 0.000 0.000 -0.000 3/25920 670.0 1.001 0.886 1.641 0.000 0.000 -0.000 3/25920 680.0 0.987 0.873 1.618 0.000 0.000 -0.000 3/25920 690.0 0.973 0.860 1.595 0.000 0.000 -0.000 3/25920 700.0 0.959 0.848 1.572 0.000 0.000 -0.000 3/25920 710.0 0.945 0.836 1.551 0.000 0.000 -0.000 3/25920 720.0 0.932 0.825 1.529 0.000 0.000 -0.000 3/25920 730.0 0.920 0.814 1.509 0.000 0.000 -0.000 3/25920 740.0 0.907 0.803 1.489 0.000 0.000 -0.000 3/25920 750.0 0.895 0.792 1.469 0.000 0.000 -0.000 3/25920 760.0 0.884 0.782 1.450 0.000 0.000 -0.000 3/25920 770.0 0.872 0.772 1.432 0.000 0.000 -0.000 3/25920 780.0 0.861 0.762 1.414 0.000 0.000 -0.000 3/25920 790.0 0.850 0.752 1.396 0.000 0.000 -0.000 3/25920 800.0 0.840 0.743 1.379 0.000 0.000 -0.000 3/25920 810.0 0.829 0.734 1.362 0.000 0.000 -0.000 3/25920 820.0 0.819 0.725 1.346 0.000 0.000 -0.000 3/25920 830.0 0.810 0.716 1.330 0.000 0.000 -0.000 3/25920 840.0 0.800 0.708 1.315 0.000 0.000 -0.000 3/25920 850.0 0.791 0.700 1.299 0.000 0.000 -0.000 3/25920 860.0 0.782 0.692 1.284 0.000 0.000 -0.000 3/25920 870.0 0.773 0.684 1.270 0.000 0.000 -0.000 3/25920 880.0 0.764 0.676 1.256 0.000 0.000 -0.000 3/25920 890.0 0.755 0.669 1.242 0.000 0.000 -0.000 3/25920 900.0 0.747 0.661 1.228 0.000 0.000 -0.000 3/25920 910.0 0.739 0.654 1.215 0.000 0.000 -0.000 3/25920 920.0 0.731 0.647 1.202 0.000 0.000 -0.000 3/25920 930.0 0.723 0.640 1.189 0.000 0.000 -0.000 3/25920 940.0 0.715 0.633 1.177 0.000 0.000 -0.000 3/25920 950.0 0.708 0.627 1.164 0.000 0.000 -0.000 3/25920 960.0 0.701 0.620 1.152 0.000 0.000 -0.000 3/25920 970.0 0.693 0.614 1.141 0.000 0.000 -0.000 3/25920 980.0 0.686 0.608 1.129 0.000 0.000 -0.000 3/25920 990.0 0.680 0.602 1.118 0.000 0.000 -0.000 3/25920 1000.0 0.673 0.596 1.107 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m3810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:07:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|