----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:18:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.881093014999999 -4.275365984999999 0.000000000000000 b 2.881093014999999 4.275365984999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): *1 C 0.19489645913355 0.80510354086645 0.11510109764492 12.011 2 C 0.80510354086645 0.19489645913355 0.61510109764492 12.011 *3 O 0.17901972299983 0.31003056847918 0.32357802885953 15.999 4 O 0.82098027700017 0.68996943152082 0.82357802885953 15.999 5 O 0.68996943152082 0.82098027700017 0.32357802885953 15.999 6 O 0.31003056847918 0.17901972299983 0.82357802885953 15.999 *7 O 0.55811434335664 0.44188565664336 0.08945148752288 15.999 8 O 0.44188565664336 0.55811434335664 0.58945148752288 15.999 *9 O 0.80461741251475 0.19538258748525 0.94478447744401 15.999 10 O 0.19538258748525 0.80461741251475 0.44478447744401 15.999 *11 Al 0.10698967100749 0.43501305283216 0.49957119296348 26.982 12 Al 0.89301032899251 0.56498694716784 0.99957119296348 26.982 13 Al 0.56498694716784 0.89301032899251 0.49957119296348 26.982 14 Al 0.43501305283216 0.10698967100749 0.99957119296348 26.982 *15 Al 0.39793266913542 0.60206733086458 0.21012536783202 26.982 16 Al 0.60206733086458 0.39793266913542 0.71012536783202 26.982 *17 Al 0.06163500475840 0.93836499524160 0.28943914591017 26.982 18 Al 0.93836499524160 0.06163500475840 0.78943914591016 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.762186029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.550731969999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): *1 C 0.50000000000000 0.30510354086645 0.11510109764492 12.011 > 1 2 C 0.50000000000000 0.69489645913355 0.61510109764492 12.011 > 2 3 C 0.00000000000000 0.80510354086645 0.11510109764492 12.011 > 1 4 C 0.00000000000000 0.19489645913355 0.61510109764492 12.011 > 2 *5 O 0.24452514573951 0.06550542273968 0.32357802885953 15.999 > 3 6 O 0.75547485426049 0.93449457726032 0.82357802885953 15.999 > 4 7 O 0.75547485426049 0.06550542273968 0.32357802885953 15.999 > 5 8 O 0.24452514573951 0.93449457726032 0.82357802885953 15.999 > 6 *9 O 0.50000000000000 0.94188565664336 0.08945148752288 15.999 > 7 10 O 0.50000000000000 0.05811434335664 0.58945148752288 15.999 > 8 *11 O 0.50000000000000 0.69538258748525 0.94478447744401 15.999 > 9 12 O 0.50000000000000 0.30461741251475 0.44478447744401 15.999 > 10 13 O 0.74452514573951 0.56550542273968 0.32357802885953 15.999 > 3 14 O 0.25547485426049 0.43449457726032 0.82357802885953 15.999 > 4 15 O 0.25547485426049 0.56550542273968 0.32357802885953 15.999 > 5 16 O 0.74452514573951 0.43449457726032 0.82357802885953 15.999 > 6 17 O 0.00000000000000 0.44188565664336 0.08945148752288 15.999 > 7 18 O 0.00000000000000 0.55811434335664 0.58945148752288 15.999 > 8 19 O 0.00000000000000 0.19538258748525 0.94478447744401 15.999 > 9 20 O 0.00000000000000 0.80461741251475 0.44478447744401 15.999 > 10 *21 Al 0.27100136191982 0.16401169091234 0.49957119296348 26.982 > 11 22 Al 0.72899863808018 0.83598830908766 0.99957119296348 26.982 > 12 23 Al 0.72899863808018 0.16401169091234 0.49957119296348 26.982 > 13 24 Al 0.27100136191982 0.83598830908766 0.99957119296348 26.982 > 14 *25 Al 0.50000000000000 0.10206733086458 0.21012536783202 26.982 > 15 26 Al 0.50000000000000 0.89793266913542 0.71012536783202 26.982 > 16 *27 Al 0.50000000000000 0.43836499524160 0.28943914591017 26.982 > 17 28 Al 0.50000000000000 0.56163500475840 0.78943914591016 26.982 > 18 29 Al 0.77100136191982 0.66401169091234 0.49957119296348 26.982 > 11 30 Al 0.22899863808018 0.33598830908766 0.99957119296348 26.982 > 12 31 Al 0.22899863808018 0.66401169091234 0.49957119296348 26.982 > 13 32 Al 0.77100136191982 0.33598830908766 0.99957119296348 26.982 > 14 33 Al 0.00000000000000 0.60206733086458 0.21012536783202 26.982 > 15 34 Al 0.00000000000000 0.39793266913542 0.71012536783202 26.982 > 16 35 Al 0.00000000000000 0.93836499524160 0.28943914591017 26.982 > 17 36 Al 0.00000000000000 0.06163500475840 0.78943914591016 26.982 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.524372059999997 0.000000000000000 0.000000000000000 b 0.000000000000000 17.101463939999995 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): *1 C 0.25000000000000 0.15255177043322 0.11510109764492 12.011 > 1 2 C 0.75000000000000 0.15255177043322 0.11510109764492 12.011 > 1 3 C 0.25000000000000 0.65255177043322 0.11510109764492 12.011 > 1 4 C 0.75000000000000 0.65255177043322 0.11510109764492 12.011 > 1 5 C 0.25000000000000 0.34744822956678 0.61510109764492 12.011 > 2 6 C 0.75000000000000 0.34744822956678 0.61510109764492 12.011 > 2 7 C 0.25000000000000 0.84744822956678 0.61510109764492 12.011 > 2 8 C 0.75000000000000 0.84744822956678 0.61510109764492 12.011 > 2 9 C 0.00000000000000 0.40255177043322 0.11510109764492 12.011 > 1 10 C 0.50000000000000 0.40255177043322 0.11510109764492 12.011 > 1 11 C 0.00000000000000 0.90255177043322 0.11510109764492 12.011 > 1 12 C 0.50000000000000 0.90255177043322 0.11510109764492 12.011 > 1 13 C 0.00000000000000 0.09744822956678 0.61510109764492 12.011 > 2 14 C 0.50000000000000 0.09744822956678 0.61510109764492 12.011 > 2 15 C 0.00000000000000 0.59744822956678 0.61510109764492 12.011 > 2 16 C 0.50000000000000 0.59744822956678 0.61510109764492 12.011 > 2 *17 O 0.12226257286975 0.03275271136984 0.32357802885953 15.999 > 3 18 O 0.62226257286975 0.03275271136984 0.32357802885953 15.999 > 3 19 O 0.12226257286975 0.53275271136984 0.32357802885953 15.999 > 3 20 O 0.62226257286975 0.53275271136984 0.32357802885953 15.999 > 3 21 O 0.37773742713025 0.46724728863016 0.82357802885953 15.999 > 4 22 O 0.87773742713025 0.46724728863016 0.82357802885953 15.999 > 4 23 O 0.37773742713025 0.96724728863016 0.82357802885953 15.999 > 4 24 O 0.87773742713025 0.96724728863016 0.82357802885953 15.999 > 4 25 O 0.37773742713025 0.03275271136984 0.32357802885953 15.999 > 5 26 O 0.87773742713025 0.03275271136984 0.32357802885953 15.999 > 5 27 O 0.37773742713025 0.53275271136984 0.32357802885953 15.999 > 5 28 O 0.87773742713025 0.53275271136984 0.32357802885953 15.999 > 5 29 O 0.12226257286975 0.46724728863016 0.82357802885953 15.999 > 6 30 O 0.62226257286975 0.46724728863016 0.82357802885953 15.999 > 6 31 O 0.12226257286975 0.96724728863016 0.82357802885953 15.999 > 6 32 O 0.62226257286975 0.96724728863016 0.82357802885953 15.999 > 6 *33 O 0.25000000000000 0.47094282832168 0.08945148752288 15.999 > 7 34 O 0.75000000000000 0.47094282832168 0.08945148752288 15.999 > 7 35 O 0.25000000000000 0.97094282832168 0.08945148752288 15.999 > 7 36 O 0.75000000000000 0.97094282832168 0.08945148752288 15.999 > 7 37 O 0.25000000000000 0.02905717167832 0.58945148752288 15.999 > 8 38 O 0.75000000000000 0.02905717167832 0.58945148752288 15.999 > 8 39 O 0.25000000000000 0.52905717167832 0.58945148752288 15.999 > 8 40 O 0.75000000000000 0.52905717167832 0.58945148752288 15.999 > 8 *41 O 0.25000000000000 0.34769129374262 0.94478447744401 15.999 > 9 42 O 0.75000000000000 0.34769129374262 0.94478447744401 15.999 > 9 43 O 0.25000000000000 0.84769129374262 0.94478447744401 15.999 > 9 44 O 0.75000000000000 0.84769129374262 0.94478447744401 15.999 > 9 45 O 0.25000000000000 0.15230870625737 0.44478447744401 15.999 > 10 46 O 0.75000000000000 0.15230870625737 0.44478447744401 15.999 > 10 47 O 0.25000000000000 0.65230870625738 0.44478447744401 15.999 > 10 48 O 0.75000000000000 0.65230870625738 0.44478447744401 15.999 > 10 49 O 0.37226257286975 0.28275271136984 0.32357802885953 15.999 > 3 50 O 0.87226257286975 0.28275271136984 0.32357802885953 15.999 > 3 51 O 0.37226257286975 0.78275271136984 0.32357802885953 15.999 > 3 52 O 0.87226257286975 0.78275271136984 0.32357802885953 15.999 > 3 53 O 0.12773742713025 0.21724728863016 0.82357802885953 15.999 > 4 54 O 0.62773742713025 0.21724728863016 0.82357802885953 15.999 > 4 55 O 0.12773742713025 0.71724728863016 0.82357802885953 15.999 > 4 56 O 0.62773742713025 0.71724728863016 0.82357802885953 15.999 > 4 57 O 0.12773742713025 0.28275271136984 0.32357802885953 15.999 > 5 58 O 0.62773742713025 0.28275271136984 0.32357802885953 15.999 > 5 59 O 0.12773742713025 0.78275271136984 0.32357802885953 15.999 > 5 60 O 0.62773742713025 0.78275271136984 0.32357802885953 15.999 > 5 61 O 0.37226257286975 0.21724728863016 0.82357802885953 15.999 > 6 62 O 0.87226257286975 0.21724728863016 0.82357802885953 15.999 > 6 63 O 0.37226257286975 0.71724728863016 0.82357802885953 15.999 > 6 64 O 0.87226257286975 0.71724728863016 0.82357802885953 15.999 > 6 65 O 0.00000000000000 0.22094282832168 0.08945148752288 15.999 > 7 66 O 0.50000000000000 0.22094282832168 0.08945148752288 15.999 > 7 67 O 0.00000000000000 0.72094282832168 0.08945148752288 15.999 > 7 68 O 0.50000000000000 0.72094282832168 0.08945148752288 15.999 > 7 69 O 0.00000000000000 0.27905717167832 0.58945148752288 15.999 > 8 70 O 0.50000000000000 0.27905717167832 0.58945148752288 15.999 > 8 71 O 0.00000000000000 0.77905717167832 0.58945148752288 15.999 > 8 72 O 0.50000000000000 0.77905717167832 0.58945148752288 15.999 > 8 73 O 0.00000000000000 0.09769129374263 0.94478447744401 15.999 > 9 74 O 0.50000000000000 0.09769129374263 0.94478447744401 15.999 > 9 75 O 0.00000000000000 0.59769129374262 0.94478447744401 15.999 > 9 76 O 0.50000000000000 0.59769129374262 0.94478447744401 15.999 > 9 77 O 0.00000000000000 0.40230870625738 0.44478447744401 15.999 > 10 78 O 0.50000000000000 0.40230870625738 0.44478447744401 15.999 > 10 79 O 0.00000000000000 0.90230870625738 0.44478447744401 15.999 > 10 80 O 0.50000000000000 0.90230870625738 0.44478447744401 15.999 > 10 *81 Al 0.13550068095991 0.08200584545617 0.49957119296348 26.982 > 11 82 Al 0.63550068095991 0.08200584545617 0.49957119296348 26.982 > 11 83 Al 0.13550068095991 0.58200584545617 0.49957119296348 26.982 > 11 84 Al 0.63550068095991 0.58200584545617 0.49957119296348 26.982 > 11 85 Al 0.36449931904009 0.41799415454383 0.99957119296348 26.982 > 12 86 Al 0.86449931904009 0.41799415454383 0.99957119296348 26.982 > 12 87 Al 0.36449931904009 0.91799415454383 0.99957119296348 26.982 > 12 88 Al 0.86449931904009 0.91799415454383 0.99957119296348 26.982 > 12 89 Al 0.36449931904009 0.08200584545617 0.49957119296348 26.982 > 13 90 Al 0.86449931904009 0.08200584545617 0.49957119296348 26.982 > 13 91 Al 0.36449931904009 0.58200584545617 0.49957119296348 26.982 > 13 92 Al 0.86449931904009 0.58200584545617 0.49957119296348 26.982 > 13 93 Al 0.13550068095991 0.41799415454383 0.99957119296348 26.982 > 14 94 Al 0.63550068095991 0.41799415454383 0.99957119296348 26.982 > 14 95 Al 0.13550068095991 0.91799415454383 0.99957119296348 26.982 > 14 96 Al 0.63550068095991 0.91799415454383 0.99957119296348 26.982 > 14 *97 Al 0.25000000000000 0.05103366543229 0.21012536783202 26.982 > 15 98 Al 0.75000000000000 0.05103366543229 0.21012536783202 26.982 > 15 99 Al 0.25000000000000 0.55103366543229 0.21012536783202 26.982 > 15 100 Al 0.75000000000000 0.55103366543229 0.21012536783202 26.982 > 15 101 Al 0.25000000000000 0.44896633456771 0.71012536783202 26.982 > 16 102 Al 0.75000000000000 0.44896633456771 0.71012536783202 26.982 > 16 103 Al 0.25000000000000 0.94896633456771 0.71012536783202 26.982 > 16 104 Al 0.75000000000000 0.94896633456771 0.71012536783202 26.982 > 16 *105 Al 0.25000000000000 0.21918249762080 0.28943914591017 26.982 > 17 106 Al 0.75000000000000 0.21918249762080 0.28943914591017 26.982 > 17 107 Al 0.25000000000000 0.71918249762080 0.28943914591017 26.982 > 17 108 Al 0.75000000000000 0.71918249762080 0.28943914591017 26.982 > 17 109 Al 0.25000000000000 0.28081750237920 0.78943914591016 26.982 > 18 110 Al 0.75000000000000 0.28081750237920 0.78943914591016 26.982 > 18 111 Al 0.25000000000000 0.78081750237920 0.78943914591016 26.982 > 18 112 Al 0.75000000000000 0.78081750237920 0.78943914591016 26.982 > 18 113 Al 0.38550068095991 0.33200584545617 0.49957119296348 26.982 > 11 114 Al 0.88550068095991 0.33200584545617 0.49957119296348 26.982 > 11 115 Al 0.38550068095991 0.83200584545617 0.49957119296348 26.982 > 11 116 Al 0.88550068095991 0.83200584545617 0.49957119296348 26.982 > 11 117 Al 0.11449931904009 0.16799415454383 0.99957119296348 26.982 > 12 118 Al 0.61449931904009 0.16799415454383 0.99957119296348 26.982 > 12 119 Al 0.11449931904009 0.66799415454383 0.99957119296348 26.982 > 12 120 Al 0.61449931904009 0.66799415454383 0.99957119296348 26.982 > 12 121 Al 0.11449931904009 0.33200584545617 0.49957119296348 26.982 > 13 122 Al 0.61449931904009 0.33200584545617 0.49957119296348 26.982 > 13 123 Al 0.11449931904009 0.83200584545617 0.49957119296348 26.982 > 13 124 Al 0.61449931904009 0.83200584545617 0.49957119296348 26.982 > 13 125 Al 0.38550068095991 0.16799415454383 0.99957119296348 26.982 > 14 126 Al 0.88550068095991 0.16799415454383 0.99957119296348 26.982 > 14 127 Al 0.38550068095991 0.66799415454383 0.99957119296348 26.982 > 14 128 Al 0.88550068095991 0.66799415454383 0.99957119296348 26.982 > 14 129 Al 0.00000000000000 0.30103366543229 0.21012536783202 26.982 > 15 130 Al 0.50000000000000 0.30103366543229 0.21012536783202 26.982 > 15 131 Al 0.00000000000000 0.80103366543229 0.21012536783202 26.982 > 15 132 Al 0.50000000000000 0.80103366543229 0.21012536783202 26.982 > 15 133 Al 0.00000000000000 0.19896633456771 0.71012536783202 26.982 > 16 134 Al 0.50000000000000 0.19896633456771 0.71012536783202 26.982 > 16 135 Al 0.00000000000000 0.69896633456771 0.71012536783202 26.982 > 16 136 Al 0.50000000000000 0.69896633456771 0.71012536783202 26.982 > 16 137 Al 0.00000000000000 0.46918249762080 0.28943914591017 26.982 > 17 138 Al 0.50000000000000 0.46918249762080 0.28943914591017 26.982 > 17 139 Al 0.00000000000000 0.96918249762080 0.28943914591017 26.982 > 17 140 Al 0.50000000000000 0.96918249762080 0.28943914591017 26.982 > 17 141 Al 0.00000000000000 0.03081750237920 0.78943914591016 26.982 > 18 142 Al 0.50000000000000 0.03081750237920 0.78943914591016 26.982 > 18 143 Al 0.00000000000000 0.53081750237920 0.78943914591016 26.982 > 18 144 Al 0.50000000000000 0.53081750237920 0.78943914591016 26.982 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3739928 0.0000000 0.0000000 0.0000000 3.2743154 0.0000000 0.0000000 0.0000000 3.4032843 -------------------------- Born effective charges -------------------------- 1 C -1.9727929 0.0000000 0.0000000 0.0000000 -1.9297562 0.1831562 0.0000000 0.0395714 -2.1372228 2 C -1.9727929 0.0000000 0.0000000 0.0000000 -1.9297562 -0.1831562 0.0000000 -0.0395714 -2.1372228 3 O -2.0648915 -0.5757803 0.1967983 -0.5301611 -1.7276551 -0.3059397 0.2942334 -0.3620323 -2.1594545 4 O -2.0648915 -0.5757803 -0.1967983 -0.5301611 -1.7276551 0.3059397 -0.2942334 0.3620323 -2.1594545 5 O -2.0648915 0.5757803 -0.1967983 0.5301611 -1.7276551 -0.3059397 -0.2942334 -0.3620323 -2.1594545 6 O -2.0648915 0.5757803 0.1967983 0.5301611 -1.7276551 0.3059397 0.2942334 0.3620323 -2.1594545 7 O -2.1959539 0.0000000 0.0000000 0.0000000 -1.9923741 -0.5354540 0.0000000 -0.6603663 -1.6599113 8 O -2.1959539 0.0000000 0.0000000 0.0000000 -1.9923741 0.5354540 0.0000000 0.6603663 -1.6599113 9 O -1.9573545 0.0000000 0.0000000 0.0000000 -2.0865150 -0.4724863 0.0000000 -0.3332390 -2.0644755 10 O -1.9573545 0.0000000 0.0000000 0.0000000 -2.0865150 0.4724863 0.0000000 0.3332390 -2.0644755 11 Al 2.8439421 -0.0565742 -0.3783451 -0.0583241 1.9609718 0.0458312 -0.4248143 0.0390856 2.4116764 12 Al 2.8439421 -0.0565742 0.3783451 -0.0583241 1.9609718 -0.0458312 0.4248143 -0.0390856 2.4116764 13 Al 2.8439421 0.0565742 0.3783451 0.0583241 1.9609718 0.0458312 0.4248143 0.0390856 2.4116764 14 Al 2.8439421 0.0565742 -0.3783451 0.0583241 1.9609718 -0.0458312 -0.4248143 -0.0390856 2.4116764 15 Al 2.2789582 0.0000000 0.0000000 0.0000000 2.8368220 -0.1622927 0.0000000 -0.0596912 2.6374572 16 Al 2.2789582 0.0000000 0.0000000 0.0000000 2.8368220 0.1622927 0.0000000 0.0596912 2.6374572 17 Al 2.2890420 0.0000000 0.0000000 0.0000000 2.7051899 0.2887445 0.0000000 0.4390106 2.7197086 18 Al 2.2890420 0.0000000 0.0000000 0.0000000 2.7051899 -0.2887445 0.0000000 -0.4390106 2.7197086 ---------------------------------------------------------------------------- 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: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 234 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 14), data: (748, 28) @ (28, 14) |-- (248, 234), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 238), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 560 - Time: 1.904 Solver_block: 200 / 560 - Time: 2.238 Solver_block: 300 / 560 - Time: 2.222 Solver_block: 400 / 560 - Time: 1.865 Solver_block: 500 / 560 - Time: 1.977 Solver_block: 560 / 560 - Time: 1.434 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.357 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 234 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 14), data: (748, 28) @ (28, 14) |-- (248, 234), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 238), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:19:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:12]------------------------- 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): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.881093014999999 -4.275365984999999 0.000000000000000 b 2.881093014999999 4.275365984999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): 1 C 0.19489645913355 0.80510354086645 0.11510109764492 12.011 2 C 0.80510354086645 0.19489645913355 0.61510109764492 12.011 3 O 0.17901972299983 0.31003056847918 0.32357802885953 15.999 4 O 0.82098027700017 0.68996943152082 0.82357802885953 15.999 5 O 0.68996943152082 0.82098027700017 0.32357802885953 15.999 6 O 0.31003056847918 0.17901972299983 0.82357802885953 15.999 7 O 0.55811434335664 0.44188565664336 0.08945148752288 15.999 8 O 0.44188565664336 0.55811434335664 0.58945148752288 15.999 9 O 0.80461741251475 0.19538258748525 0.94478447744401 15.999 10 O 0.19538258748525 0.80461741251475 0.44478447744401 15.999 11 Al 0.10698967100749 0.43501305283216 0.49957119296348 26.982 12 Al 0.89301032899251 0.56498694716784 0.99957119296348 26.982 13 Al 0.56498694716784 0.89301032899251 0.49957119296348 26.982 14 Al 0.43501305283216 0.10698967100749 0.99957119296348 26.982 15 Al 0.39793266913542 0.60206733086458 0.21012536783202 26.982 16 Al 0.60206733086458 0.39793266913542 0.71012536783202 26.982 17 Al 0.06163500475840 0.93836499524160 0.28943914591017 26.982 18 Al 0.93836499524160 0.06163500475840 0.78943914591016 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.524372059999997 0.000000000000000 0.000000000000000 b 0.000000000000000 17.101463939999995 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): 1 C 0.25000000000000 0.15255177043322 0.11510109764492 12.011 > 1 2 C 0.75000000000000 0.15255177043322 0.11510109764492 12.011 > 1 3 C 0.25000000000000 0.65255177043322 0.11510109764492 12.011 > 1 4 C 0.75000000000000 0.65255177043322 0.11510109764492 12.011 > 1 5 C 0.25000000000000 0.34744822956678 0.61510109764492 12.011 > 5 6 C 0.75000000000000 0.34744822956678 0.61510109764492 12.011 > 5 7 C 0.25000000000000 0.84744822956678 0.61510109764492 12.011 > 5 8 C 0.75000000000000 0.84744822956678 0.61510109764492 12.011 > 5 9 C 0.00000000000000 0.40255177043322 0.11510109764492 12.011 > 1 10 C 0.50000000000000 0.40255177043322 0.11510109764492 12.011 > 1 11 C 0.00000000000000 0.90255177043322 0.11510109764492 12.011 > 1 12 C 0.50000000000000 0.90255177043322 0.11510109764492 12.011 > 1 13 C 0.00000000000000 0.09744822956678 0.61510109764492 12.011 > 5 14 C 0.50000000000000 0.09744822956678 0.61510109764492 12.011 > 5 15 C 0.00000000000000 0.59744822956678 0.61510109764492 12.011 > 5 16 C 0.50000000000000 0.59744822956678 0.61510109764492 12.011 > 5 17 O 0.12226257286975 0.03275271136984 0.32357802885953 15.999 > 17 18 O 0.62226257286975 0.03275271136984 0.32357802885953 15.999 > 17 19 O 0.12226257286975 0.53275271136984 0.32357802885953 15.999 > 17 20 O 0.62226257286975 0.53275271136984 0.32357802885953 15.999 > 17 21 O 0.37773742713025 0.46724728863016 0.82357802885953 15.999 > 21 22 O 0.87773742713025 0.46724728863016 0.82357802885953 15.999 > 21 23 O 0.37773742713025 0.96724728863016 0.82357802885953 15.999 > 21 24 O 0.87773742713025 0.96724728863016 0.82357802885953 15.999 > 21 25 O 0.37773742713025 0.03275271136984 0.32357802885953 15.999 > 25 26 O 0.87773742713025 0.03275271136984 0.32357802885953 15.999 > 25 27 O 0.37773742713025 0.53275271136984 0.32357802885953 15.999 > 25 28 O 0.87773742713025 0.53275271136984 0.32357802885953 15.999 > 25 29 O 0.12226257286975 0.46724728863016 0.82357802885953 15.999 > 29 30 O 0.62226257286975 0.46724728863016 0.82357802885953 15.999 > 29 31 O 0.12226257286975 0.96724728863016 0.82357802885953 15.999 > 29 32 O 0.62226257286975 0.96724728863016 0.82357802885953 15.999 > 29 33 O 0.25000000000000 0.47094282832168 0.08945148752288 15.999 > 33 34 O 0.75000000000000 0.47094282832168 0.08945148752288 15.999 > 33 35 O 0.25000000000000 0.97094282832168 0.08945148752288 15.999 > 33 36 O 0.75000000000000 0.97094282832168 0.08945148752288 15.999 > 33 37 O 0.25000000000000 0.02905717167832 0.58945148752288 15.999 > 37 38 O 0.75000000000000 0.02905717167832 0.58945148752288 15.999 > 37 39 O 0.25000000000000 0.52905717167832 0.58945148752288 15.999 > 37 40 O 0.75000000000000 0.52905717167832 0.58945148752288 15.999 > 37 41 O 0.25000000000000 0.34769129374262 0.94478447744401 15.999 > 41 42 O 0.75000000000000 0.34769129374262 0.94478447744401 15.999 > 41 43 O 0.25000000000000 0.84769129374262 0.94478447744401 15.999 > 41 44 O 0.75000000000000 0.84769129374262 0.94478447744401 15.999 > 41 45 O 0.25000000000000 0.15230870625737 0.44478447744401 15.999 > 45 46 O 0.75000000000000 0.15230870625737 0.44478447744401 15.999 > 45 47 O 0.25000000000000 0.65230870625738 0.44478447744401 15.999 > 45 48 O 0.75000000000000 0.65230870625738 0.44478447744401 15.999 > 45 49 O 0.37226257286975 0.28275271136984 0.32357802885953 15.999 > 17 50 O 0.87226257286975 0.28275271136984 0.32357802885953 15.999 > 17 51 O 0.37226257286975 0.78275271136984 0.32357802885953 15.999 > 17 52 O 0.87226257286975 0.78275271136984 0.32357802885953 15.999 > 17 53 O 0.12773742713025 0.21724728863016 0.82357802885953 15.999 > 21 54 O 0.62773742713025 0.21724728863016 0.82357802885953 15.999 > 21 55 O 0.12773742713025 0.71724728863016 0.82357802885953 15.999 > 21 56 O 0.62773742713025 0.71724728863016 0.82357802885953 15.999 > 21 57 O 0.12773742713025 0.28275271136984 0.32357802885953 15.999 > 25 58 O 0.62773742713025 0.28275271136984 0.32357802885953 15.999 > 25 59 O 0.12773742713025 0.78275271136984 0.32357802885953 15.999 > 25 60 O 0.62773742713025 0.78275271136984 0.32357802885953 15.999 > 25 61 O 0.37226257286975 0.21724728863016 0.82357802885953 15.999 > 29 62 O 0.87226257286975 0.21724728863016 0.82357802885953 15.999 > 29 63 O 0.37226257286975 0.71724728863016 0.82357802885953 15.999 > 29 64 O 0.87226257286975 0.71724728863016 0.82357802885953 15.999 > 29 65 O 0.00000000000000 0.22094282832168 0.08945148752288 15.999 > 33 66 O 0.50000000000000 0.22094282832168 0.08945148752288 15.999 > 33 67 O 0.00000000000000 0.72094282832168 0.08945148752288 15.999 > 33 68 O 0.50000000000000 0.72094282832168 0.08945148752288 15.999 > 33 69 O 0.00000000000000 0.27905717167832 0.58945148752288 15.999 > 37 70 O 0.50000000000000 0.27905717167832 0.58945148752288 15.999 > 37 71 O 0.00000000000000 0.77905717167832 0.58945148752288 15.999 > 37 72 O 0.50000000000000 0.77905717167832 0.58945148752288 15.999 > 37 73 O 0.00000000000000 0.09769129374263 0.94478447744401 15.999 > 41 74 O 0.50000000000000 0.09769129374263 0.94478447744401 15.999 > 41 75 O 0.00000000000000 0.59769129374262 0.94478447744401 15.999 > 41 76 O 0.50000000000000 0.59769129374262 0.94478447744401 15.999 > 41 77 O 0.00000000000000 0.40230870625738 0.44478447744401 15.999 > 45 78 O 0.50000000000000 0.40230870625738 0.44478447744401 15.999 > 45 79 O 0.00000000000000 0.90230870625738 0.44478447744401 15.999 > 45 80 O 0.50000000000000 0.90230870625738 0.44478447744401 15.999 > 45 81 Al 0.13550068095991 0.08200584545617 0.49957119296348 26.982 > 81 82 Al 0.63550068095991 0.08200584545617 0.49957119296348 26.982 > 81 83 Al 0.13550068095991 0.58200584545617 0.49957119296348 26.982 > 81 84 Al 0.63550068095991 0.58200584545617 0.49957119296348 26.982 > 81 85 Al 0.36449931904009 0.41799415454383 0.99957119296348 26.982 > 85 86 Al 0.86449931904009 0.41799415454383 0.99957119296348 26.982 > 85 87 Al 0.36449931904009 0.91799415454383 0.99957119296348 26.982 > 85 88 Al 0.86449931904009 0.91799415454383 0.99957119296348 26.982 > 85 89 Al 0.36449931904009 0.08200584545617 0.49957119296348 26.982 > 89 90 Al 0.86449931904009 0.08200584545617 0.49957119296348 26.982 > 89 91 Al 0.36449931904009 0.58200584545617 0.49957119296348 26.982 > 89 92 Al 0.86449931904009 0.58200584545617 0.49957119296348 26.982 > 89 93 Al 0.13550068095991 0.41799415454383 0.99957119296348 26.982 > 93 94 Al 0.63550068095991 0.41799415454383 0.99957119296348 26.982 > 93 95 Al 0.13550068095991 0.91799415454383 0.99957119296348 26.982 > 93 96 Al 0.63550068095991 0.91799415454383 0.99957119296348 26.982 > 93 97 Al 0.25000000000000 0.05103366543229 0.21012536783202 26.982 > 97 98 Al 0.75000000000000 0.05103366543229 0.21012536783202 26.982 > 97 99 Al 0.25000000000000 0.55103366543229 0.21012536783202 26.982 > 97 100 Al 0.75000000000000 0.55103366543229 0.21012536783202 26.982 > 97 101 Al 0.25000000000000 0.44896633456771 0.71012536783202 26.982 > 101 102 Al 0.75000000000000 0.44896633456771 0.71012536783202 26.982 > 101 103 Al 0.25000000000000 0.94896633456771 0.71012536783202 26.982 > 101 104 Al 0.75000000000000 0.94896633456771 0.71012536783202 26.982 > 101 105 Al 0.25000000000000 0.21918249762080 0.28943914591017 26.982 > 105 106 Al 0.75000000000000 0.21918249762080 0.28943914591017 26.982 > 105 107 Al 0.25000000000000 0.71918249762080 0.28943914591017 26.982 > 105 108 Al 0.75000000000000 0.71918249762080 0.28943914591017 26.982 > 105 109 Al 0.25000000000000 0.28081750237920 0.78943914591016 26.982 > 109 110 Al 0.75000000000000 0.28081750237920 0.78943914591016 26.982 > 109 111 Al 0.25000000000000 0.78081750237920 0.78943914591016 26.982 > 109 112 Al 0.75000000000000 0.78081750237920 0.78943914591016 26.982 > 109 113 Al 0.38550068095991 0.33200584545617 0.49957119296348 26.982 > 81 114 Al 0.88550068095991 0.33200584545617 0.49957119296348 26.982 > 81 115 Al 0.38550068095991 0.83200584545617 0.49957119296348 26.982 > 81 116 Al 0.88550068095991 0.83200584545617 0.49957119296348 26.982 > 81 117 Al 0.11449931904009 0.16799415454383 0.99957119296348 26.982 > 85 118 Al 0.61449931904009 0.16799415454383 0.99957119296348 26.982 > 85 119 Al 0.11449931904009 0.66799415454383 0.99957119296348 26.982 > 85 120 Al 0.61449931904009 0.66799415454383 0.99957119296348 26.982 > 85 121 Al 0.11449931904009 0.33200584545617 0.49957119296348 26.982 > 89 122 Al 0.61449931904009 0.33200584545617 0.49957119296348 26.982 > 89 123 Al 0.11449931904009 0.83200584545617 0.49957119296348 26.982 > 89 124 Al 0.61449931904009 0.83200584545617 0.49957119296348 26.982 > 89 125 Al 0.38550068095991 0.16799415454383 0.99957119296348 26.982 > 93 126 Al 0.88550068095991 0.16799415454383 0.99957119296348 26.982 > 93 127 Al 0.38550068095991 0.66799415454383 0.99957119296348 26.982 > 93 128 Al 0.88550068095991 0.66799415454383 0.99957119296348 26.982 > 93 129 Al 0.00000000000000 0.30103366543229 0.21012536783202 26.982 > 97 130 Al 0.50000000000000 0.30103366543229 0.21012536783202 26.982 > 97 131 Al 0.00000000000000 0.80103366543229 0.21012536783202 26.982 > 97 132 Al 0.50000000000000 0.80103366543229 0.21012536783202 26.982 > 97 133 Al 0.00000000000000 0.19896633456771 0.71012536783202 26.982 > 101 134 Al 0.50000000000000 0.19896633456771 0.71012536783202 26.982 > 101 135 Al 0.00000000000000 0.69896633456771 0.71012536783202 26.982 > 101 136 Al 0.50000000000000 0.69896633456771 0.71012536783202 26.982 > 101 137 Al 0.00000000000000 0.46918249762080 0.28943914591017 26.982 > 105 138 Al 0.50000000000000 0.46918249762080 0.28943914591017 26.982 > 105 139 Al 0.00000000000000 0.96918249762080 0.28943914591017 26.982 > 105 140 Al 0.50000000000000 0.96918249762080 0.28943914591017 26.982 > 105 141 Al 0.00000000000000 0.03081750237920 0.78943914591016 26.982 > 109 142 Al 0.50000000000000 0.03081750237920 0.78943914591016 26.982 > 109 143 Al 0.00000000000000 0.53081750237920 0.78943914591016 26.982 > 109 144 Al 0.50000000000000 0.53081750237920 0.78943914591016 26.982 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3739928 0.0000000 0.0000000 0.0000000 3.2743154 0.0000000 0.0000000 0.0000000 3.4032843 -------------------------- Born effective charges -------------------------- 1 C -1.9727929 0.0000000 0.0000000 0.0000000 -1.9297562 0.1831562 0.0000000 0.0395714 -2.1372228 2 C -1.9727929 0.0000000 0.0000000 0.0000000 -1.9297562 -0.1831562 0.0000000 -0.0395714 -2.1372228 3 O -2.0648915 -0.5757803 0.1967983 -0.5301611 -1.7276551 -0.3059397 0.2942334 -0.3620323 -2.1594545 4 O -2.0648915 -0.5757803 -0.1967983 -0.5301611 -1.7276551 0.3059397 -0.2942334 0.3620323 -2.1594545 5 O -2.0648915 0.5757803 -0.1967983 0.5301611 -1.7276551 -0.3059397 -0.2942334 -0.3620323 -2.1594545 6 O -2.0648915 0.5757803 0.1967983 0.5301611 -1.7276551 0.3059397 0.2942334 0.3620323 -2.1594545 7 O -2.1959539 0.0000000 0.0000000 0.0000000 -1.9923741 -0.5354540 0.0000000 -0.6603663 -1.6599113 8 O -2.1959539 0.0000000 0.0000000 0.0000000 -1.9923741 0.5354540 0.0000000 0.6603663 -1.6599113 9 O -1.9573545 0.0000000 0.0000000 0.0000000 -2.0865150 -0.4724863 0.0000000 -0.3332390 -2.0644755 10 O -1.9573545 0.0000000 0.0000000 0.0000000 -2.0865150 0.4724863 0.0000000 0.3332390 -2.0644755 11 Al 2.8439421 -0.0565742 -0.3783451 -0.0583241 1.9609718 0.0458312 -0.4248143 0.0390856 2.4116764 12 Al 2.8439421 -0.0565742 0.3783451 -0.0583241 1.9609718 -0.0458312 0.4248143 -0.0390856 2.4116764 13 Al 2.8439421 0.0565742 0.3783451 0.0583241 1.9609718 0.0458312 0.4248143 0.0390856 2.4116764 14 Al 2.8439421 0.0565742 -0.3783451 0.0583241 1.9609718 -0.0458312 -0.4248143 -0.0390856 2.4116764 15 Al 2.2789582 0.0000000 0.0000000 0.0000000 2.8368220 -0.1622927 0.0000000 -0.0596912 2.6374572 16 Al 2.2789582 0.0000000 0.0000000 0.0000000 2.8368220 0.1622927 0.0000000 0.0596912 2.6374572 17 Al 2.2890420 0.0000000 0.0000000 0.0000000 2.7051899 0.2887445 0.0000000 0.4390106 2.7197086 18 Al 2.2890420 0.0000000 0.0000000 0.0000000 2.7051899 -0.2887445 0.0000000 -0.4390106 2.7197086 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 41, 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[ 81, 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[ 97, 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[ 105, 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: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:19:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:19:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.881093014999999 -4.275365984999999 0.000000000000000 b 2.881093014999999 4.275365984999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): 1 C 0.19489645913355 0.80510354086645 0.11510109764492 12.011 2 C 0.80510354086645 0.19489645913355 0.61510109764492 12.011 3 O 0.17901972299983 0.31003056847918 0.32357802885953 15.999 4 O 0.82098027700017 0.68996943152082 0.82357802885953 15.999 5 O 0.68996943152082 0.82098027700017 0.32357802885953 15.999 6 O 0.31003056847918 0.17901972299983 0.82357802885953 15.999 7 O 0.55811434335664 0.44188565664336 0.08945148752288 15.999 8 O 0.44188565664336 0.55811434335664 0.58945148752288 15.999 9 O 0.80461741251475 0.19538258748525 0.94478447744401 15.999 10 O 0.19538258748525 0.80461741251475 0.44478447744401 15.999 11 Al 0.10698967100749 0.43501305283216 0.49957119296348 26.982 12 Al 0.89301032899251 0.56498694716784 0.99957119296348 26.982 13 Al 0.56498694716784 0.89301032899251 0.49957119296348 26.982 14 Al 0.43501305283216 0.10698967100749 0.99957119296348 26.982 15 Al 0.39793266913542 0.60206733086458 0.21012536783202 26.982 16 Al 0.60206733086458 0.39793266913542 0.71012536783202 26.982 17 Al 0.06163500475840 0.93836499524160 0.28943914591017 26.982 18 Al 0.93836499524160 0.06163500475840 0.78943914591016 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.524372059999997 0.000000000000000 0.000000000000000 b 0.000000000000000 17.101463939999995 0.000000000000000 c 0.000000000000000 0.000000000000000 9.121749949999998 Atomic positions (fractional): 1 C 0.25000000000000 0.15255177043322 0.11510109764492 12.011 > 1 2 C 0.75000000000000 0.15255177043322 0.11510109764492 12.011 > 1 3 C 0.25000000000000 0.65255177043322 0.11510109764492 12.011 > 1 4 C 0.75000000000000 0.65255177043322 0.11510109764492 12.011 > 1 5 C 0.25000000000000 0.34744822956678 0.61510109764492 12.011 > 5 6 C 0.75000000000000 0.34744822956678 0.61510109764492 12.011 > 5 7 C 0.25000000000000 0.84744822956678 0.61510109764492 12.011 > 5 8 C 0.75000000000000 0.84744822956678 0.61510109764492 12.011 > 5 9 C 0.00000000000000 0.40255177043322 0.11510109764492 12.011 > 1 10 C 0.50000000000000 0.40255177043322 0.11510109764492 12.011 > 1 11 C 0.00000000000000 0.90255177043322 0.11510109764492 12.011 > 1 12 C 0.50000000000000 0.90255177043322 0.11510109764492 12.011 > 1 13 C 0.00000000000000 0.09744822956678 0.61510109764492 12.011 > 5 14 C 0.50000000000000 0.09744822956678 0.61510109764492 12.011 > 5 15 C 0.00000000000000 0.59744822956678 0.61510109764492 12.011 > 5 16 C 0.50000000000000 0.59744822956678 0.61510109764492 12.011 > 5 17 O 0.12226257286975 0.03275271136984 0.32357802885953 15.999 > 17 18 O 0.62226257286975 0.03275271136984 0.32357802885953 15.999 > 17 19 O 0.12226257286975 0.53275271136984 0.32357802885953 15.999 > 17 20 O 0.62226257286975 0.53275271136984 0.32357802885953 15.999 > 17 21 O 0.37773742713025 0.46724728863016 0.82357802885953 15.999 > 21 22 O 0.87773742713025 0.46724728863016 0.82357802885953 15.999 > 21 23 O 0.37773742713025 0.96724728863016 0.82357802885953 15.999 > 21 24 O 0.87773742713025 0.96724728863016 0.82357802885953 15.999 > 21 25 O 0.37773742713025 0.03275271136984 0.32357802885953 15.999 > 25 26 O 0.87773742713025 0.03275271136984 0.32357802885953 15.999 > 25 27 O 0.37773742713025 0.53275271136984 0.32357802885953 15.999 > 25 28 O 0.87773742713025 0.53275271136984 0.32357802885953 15.999 > 25 29 O 0.12226257286975 0.46724728863016 0.82357802885953 15.999 > 29 30 O 0.62226257286975 0.46724728863016 0.82357802885953 15.999 > 29 31 O 0.12226257286975 0.96724728863016 0.82357802885953 15.999 > 29 32 O 0.62226257286975 0.96724728863016 0.82357802885953 15.999 > 29 33 O 0.25000000000000 0.47094282832168 0.08945148752288 15.999 > 33 34 O 0.75000000000000 0.47094282832168 0.08945148752288 15.999 > 33 35 O 0.25000000000000 0.97094282832168 0.08945148752288 15.999 > 33 36 O 0.75000000000000 0.97094282832168 0.08945148752288 15.999 > 33 37 O 0.25000000000000 0.02905717167832 0.58945148752288 15.999 > 37 38 O 0.75000000000000 0.02905717167832 0.58945148752288 15.999 > 37 39 O 0.25000000000000 0.52905717167832 0.58945148752288 15.999 > 37 40 O 0.75000000000000 0.52905717167832 0.58945148752288 15.999 > 37 41 O 0.25000000000000 0.34769129374262 0.94478447744401 15.999 > 41 42 O 0.75000000000000 0.34769129374262 0.94478447744401 15.999 > 41 43 O 0.25000000000000 0.84769129374262 0.94478447744401 15.999 > 41 44 O 0.75000000000000 0.84769129374262 0.94478447744401 15.999 > 41 45 O 0.25000000000000 0.15230870625737 0.44478447744401 15.999 > 45 46 O 0.75000000000000 0.15230870625737 0.44478447744401 15.999 > 45 47 O 0.25000000000000 0.65230870625738 0.44478447744401 15.999 > 45 48 O 0.75000000000000 0.65230870625738 0.44478447744401 15.999 > 45 49 O 0.37226257286975 0.28275271136984 0.32357802885953 15.999 > 17 50 O 0.87226257286975 0.28275271136984 0.32357802885953 15.999 > 17 51 O 0.37226257286975 0.78275271136984 0.32357802885953 15.999 > 17 52 O 0.87226257286975 0.78275271136984 0.32357802885953 15.999 > 17 53 O 0.12773742713025 0.21724728863016 0.82357802885953 15.999 > 21 54 O 0.62773742713025 0.21724728863016 0.82357802885953 15.999 > 21 55 O 0.12773742713025 0.71724728863016 0.82357802885953 15.999 > 21 56 O 0.62773742713025 0.71724728863016 0.82357802885953 15.999 > 21 57 O 0.12773742713025 0.28275271136984 0.32357802885953 15.999 > 25 58 O 0.62773742713025 0.28275271136984 0.32357802885953 15.999 > 25 59 O 0.12773742713025 0.78275271136984 0.32357802885953 15.999 > 25 60 O 0.62773742713025 0.78275271136984 0.32357802885953 15.999 > 25 61 O 0.37226257286975 0.21724728863016 0.82357802885953 15.999 > 29 62 O 0.87226257286975 0.21724728863016 0.82357802885953 15.999 > 29 63 O 0.37226257286975 0.71724728863016 0.82357802885953 15.999 > 29 64 O 0.87226257286975 0.71724728863016 0.82357802885953 15.999 > 29 65 O 0.00000000000000 0.22094282832168 0.08945148752288 15.999 > 33 66 O 0.50000000000000 0.22094282832168 0.08945148752288 15.999 > 33 67 O 0.00000000000000 0.72094282832168 0.08945148752288 15.999 > 33 68 O 0.50000000000000 0.72094282832168 0.08945148752288 15.999 > 33 69 O 0.00000000000000 0.27905717167832 0.58945148752288 15.999 > 37 70 O 0.50000000000000 0.27905717167832 0.58945148752288 15.999 > 37 71 O 0.00000000000000 0.77905717167832 0.58945148752288 15.999 > 37 72 O 0.50000000000000 0.77905717167832 0.58945148752288 15.999 > 37 73 O 0.00000000000000 0.09769129374263 0.94478447744401 15.999 > 41 74 O 0.50000000000000 0.09769129374263 0.94478447744401 15.999 > 41 75 O 0.00000000000000 0.59769129374262 0.94478447744401 15.999 > 41 76 O 0.50000000000000 0.59769129374262 0.94478447744401 15.999 > 41 77 O 0.00000000000000 0.40230870625738 0.44478447744401 15.999 > 45 78 O 0.50000000000000 0.40230870625738 0.44478447744401 15.999 > 45 79 O 0.00000000000000 0.90230870625738 0.44478447744401 15.999 > 45 80 O 0.50000000000000 0.90230870625738 0.44478447744401 15.999 > 45 81 Al 0.13550068095991 0.08200584545617 0.49957119296348 26.982 > 81 82 Al 0.63550068095991 0.08200584545617 0.49957119296348 26.982 > 81 83 Al 0.13550068095991 0.58200584545617 0.49957119296348 26.982 > 81 84 Al 0.63550068095991 0.58200584545617 0.49957119296348 26.982 > 81 85 Al 0.36449931904009 0.41799415454383 0.99957119296348 26.982 > 85 86 Al 0.86449931904009 0.41799415454383 0.99957119296348 26.982 > 85 87 Al 0.36449931904009 0.91799415454383 0.99957119296348 26.982 > 85 88 Al 0.86449931904009 0.91799415454383 0.99957119296348 26.982 > 85 89 Al 0.36449931904009 0.08200584545617 0.49957119296348 26.982 > 89 90 Al 0.86449931904009 0.08200584545617 0.49957119296348 26.982 > 89 91 Al 0.36449931904009 0.58200584545617 0.49957119296348 26.982 > 89 92 Al 0.86449931904009 0.58200584545617 0.49957119296348 26.982 > 89 93 Al 0.13550068095991 0.41799415454383 0.99957119296348 26.982 > 93 94 Al 0.63550068095991 0.41799415454383 0.99957119296348 26.982 > 93 95 Al 0.13550068095991 0.91799415454383 0.99957119296348 26.982 > 93 96 Al 0.63550068095991 0.91799415454383 0.99957119296348 26.982 > 93 97 Al 0.25000000000000 0.05103366543229 0.21012536783202 26.982 > 97 98 Al 0.75000000000000 0.05103366543229 0.21012536783202 26.982 > 97 99 Al 0.25000000000000 0.55103366543229 0.21012536783202 26.982 > 97 100 Al 0.75000000000000 0.55103366543229 0.21012536783202 26.982 > 97 101 Al 0.25000000000000 0.44896633456771 0.71012536783202 26.982 > 101 102 Al 0.75000000000000 0.44896633456771 0.71012536783202 26.982 > 101 103 Al 0.25000000000000 0.94896633456771 0.71012536783202 26.982 > 101 104 Al 0.75000000000000 0.94896633456771 0.71012536783202 26.982 > 101 105 Al 0.25000000000000 0.21918249762080 0.28943914591017 26.982 > 105 106 Al 0.75000000000000 0.21918249762080 0.28943914591017 26.982 > 105 107 Al 0.25000000000000 0.71918249762080 0.28943914591017 26.982 > 105 108 Al 0.75000000000000 0.71918249762080 0.28943914591017 26.982 > 105 109 Al 0.25000000000000 0.28081750237920 0.78943914591016 26.982 > 109 110 Al 0.75000000000000 0.28081750237920 0.78943914591016 26.982 > 109 111 Al 0.25000000000000 0.78081750237920 0.78943914591016 26.982 > 109 112 Al 0.75000000000000 0.78081750237920 0.78943914591016 26.982 > 109 113 Al 0.38550068095991 0.33200584545617 0.49957119296348 26.982 > 81 114 Al 0.88550068095991 0.33200584545617 0.49957119296348 26.982 > 81 115 Al 0.38550068095991 0.83200584545617 0.49957119296348 26.982 > 81 116 Al 0.88550068095991 0.83200584545617 0.49957119296348 26.982 > 81 117 Al 0.11449931904009 0.16799415454383 0.99957119296348 26.982 > 85 118 Al 0.61449931904009 0.16799415454383 0.99957119296348 26.982 > 85 119 Al 0.11449931904009 0.66799415454383 0.99957119296348 26.982 > 85 120 Al 0.61449931904009 0.66799415454383 0.99957119296348 26.982 > 85 121 Al 0.11449931904009 0.33200584545617 0.49957119296348 26.982 > 89 122 Al 0.61449931904009 0.33200584545617 0.49957119296348 26.982 > 89 123 Al 0.11449931904009 0.83200584545617 0.49957119296348 26.982 > 89 124 Al 0.61449931904009 0.83200584545617 0.49957119296348 26.982 > 89 125 Al 0.38550068095991 0.16799415454383 0.99957119296348 26.982 > 93 126 Al 0.88550068095991 0.16799415454383 0.99957119296348 26.982 > 93 127 Al 0.38550068095991 0.66799415454383 0.99957119296348 26.982 > 93 128 Al 0.88550068095991 0.66799415454383 0.99957119296348 26.982 > 93 129 Al 0.00000000000000 0.30103366543229 0.21012536783202 26.982 > 97 130 Al 0.50000000000000 0.30103366543229 0.21012536783202 26.982 > 97 131 Al 0.00000000000000 0.80103366543229 0.21012536783202 26.982 > 97 132 Al 0.50000000000000 0.80103366543229 0.21012536783202 26.982 > 97 133 Al 0.00000000000000 0.19896633456771 0.71012536783202 26.982 > 101 134 Al 0.50000000000000 0.19896633456771 0.71012536783202 26.982 > 101 135 Al 0.00000000000000 0.69896633456771 0.71012536783202 26.982 > 101 136 Al 0.50000000000000 0.69896633456771 0.71012536783202 26.982 > 101 137 Al 0.00000000000000 0.46918249762080 0.28943914591017 26.982 > 105 138 Al 0.50000000000000 0.46918249762080 0.28943914591017 26.982 > 105 139 Al 0.00000000000000 0.96918249762080 0.28943914591017 26.982 > 105 140 Al 0.50000000000000 0.96918249762080 0.28943914591017 26.982 > 105 141 Al 0.00000000000000 0.03081750237920 0.78943914591016 26.982 > 109 142 Al 0.50000000000000 0.03081750237920 0.78943914591016 26.982 > 109 143 Al 0.00000000000000 0.53081750237920 0.78943914591016 26.982 > 109 144 Al 0.50000000000000 0.53081750237920 0.78943914591016 26.982 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3739928 0.0000000 0.0000000 0.0000000 3.2743154 0.0000000 0.0000000 0.0000000 3.4032843 -------------------------- Born effective charges -------------------------- 1 C -1.9727929 0.0000000 0.0000000 0.0000000 -1.9297562 0.1831562 0.0000000 0.0395714 -2.1372228 2 C -1.9727929 0.0000000 0.0000000 0.0000000 -1.9297562 -0.1831562 0.0000000 -0.0395714 -2.1372228 3 O -2.0648915 -0.5757803 0.1967983 -0.5301611 -1.7276551 -0.3059397 0.2942334 -0.3620323 -2.1594545 4 O -2.0648915 -0.5757803 -0.1967983 -0.5301611 -1.7276551 0.3059397 -0.2942334 0.3620323 -2.1594545 5 O -2.0648915 0.5757803 -0.1967983 0.5301611 -1.7276551 -0.3059397 -0.2942334 -0.3620323 -2.1594545 6 O -2.0648915 0.5757803 0.1967983 0.5301611 -1.7276551 0.3059397 0.2942334 0.3620323 -2.1594545 7 O -2.1959539 0.0000000 0.0000000 0.0000000 -1.9923741 -0.5354540 0.0000000 -0.6603663 -1.6599113 8 O -2.1959539 0.0000000 0.0000000 0.0000000 -1.9923741 0.5354540 0.0000000 0.6603663 -1.6599113 9 O -1.9573545 0.0000000 0.0000000 0.0000000 -2.0865150 -0.4724863 0.0000000 -0.3332390 -2.0644755 10 O -1.9573545 0.0000000 0.0000000 0.0000000 -2.0865150 0.4724863 0.0000000 0.3332390 -2.0644755 11 Al 2.8439421 -0.0565742 -0.3783451 -0.0583241 1.9609718 0.0458312 -0.4248143 0.0390856 2.4116764 12 Al 2.8439421 -0.0565742 0.3783451 -0.0583241 1.9609718 -0.0458312 0.4248143 -0.0390856 2.4116764 13 Al 2.8439421 0.0565742 0.3783451 0.0583241 1.9609718 0.0458312 0.4248143 0.0390856 2.4116764 14 Al 2.8439421 0.0565742 -0.3783451 0.0583241 1.9609718 -0.0458312 -0.4248143 -0.0390856 2.4116764 15 Al 2.2789582 0.0000000 0.0000000 0.0000000 2.8368220 -0.1622927 0.0000000 -0.0596912 2.6374572 16 Al 2.2789582 0.0000000 0.0000000 0.0000000 2.8368220 0.1622927 0.0000000 0.0596912 2.6374572 17 Al 2.2890420 0.0000000 0.0000000 0.0000000 2.7051899 0.2887445 0.0000000 0.4390106 2.7197086 18 Al 2.2890420 0.0000000 0.0000000 0.0000000 2.7051899 -0.2887445 0.0000000 -0.4390106 2.7197086 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] 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: 0.68, Number of G-points: 295, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 -0.000) 0.000 5.243 ( 0.000 0.000 -0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 -0.000) 0.000 6.108 ( 0.000 0.000 -0.000) 0.000 6.248 ( 0.000 0.000 -0.000) 0.000 6.975 ( 0.000 0.000 -0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 -0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 -0.000) 0.000 10.721 ( 0.000 0.000 -0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 -0.000) 0.000 12.677 ( 0.000 0.000 0.000) 0.000 14.555 ( 0.000 0.000 -0.000) 0.000 14.915 ( 0.000 0.000 -0.000) 0.000 15.022 ( 0.000 0.000 -0.000) 0.000 15.132 ( 0.000 0.000 -0.000) 0.000 15.428 ( 0.000 0.000 0.000) 0.000 15.626 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 -0.000) 0.000 17.761 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.652 ( 0.000 0.000 0.000) 0.000 18.689 ( 0.000 0.000 0.000) 0.000 19.230 ( 0.000 0.000 -0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.484 ( 0.000 0.000 0.000) 0.000 20.196 ( 0.000 0.000 0.000) 0.000 20.585 ( 0.000 0.000 -0.000) 0.000 20.730 ( 0.000 0.000 -0.000) 0.000 20.888 ( 0.000 0.000 -0.000) 0.000 20.940 ( 0.000 0.000 -0.000) 0.000 20.978 ( 0.000 0.000 -0.000) 0.000 22.052 ( 0.000 0.000 0.000) 0.000 22.299 ( 0.000 0.000 0.000) 0.000 23.998 ( 0.000 0.000 0.000) 0.000 24.215 ( 0.000 0.000 0.000) 0.000 24.378 ( 0.000 0.000 0.000) 0.000 24.428 ( 0.000 0.000 0.000) 0.000 25.753 ( 0.000 0.000 0.000) 0.000 26.123 ( 0.000 0.000 -0.000) 0.000 26.864 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 39.013 -25.684 0.000) 46.708 1.055 ( 40.332 -29.387 0.000) 49.903 1.989 ( 89.627 -33.717 0.000) 95.759 4.740 ( 22.371 5.829 0.000) 23.118 5.075 ( -8.245 2.618 0.000) 8.651 5.225 ( -1.062 2.172 0.000) 2.418 5.583 ( -1.354 -2.629 0.000) 2.957 5.778 ( 0.748 2.195 0.000) 2.319 6.034 ( 3.383 -14.733 0.000) 15.116 6.605 ( 22.373 -3.002 0.000) 22.573 6.973 ( -4.131 -2.678 0.000) 4.923 7.690 ( -11.746 5.417 0.000) 12.935 7.976 ( 4.208 5.175 0.000) 6.670 8.274 ( 11.677 11.092 0.000) 16.105 8.567 ( 5.573 -10.600 0.000) 11.976 9.267 ( 4.544 18.565 0.000) 19.113 9.839 ( 6.008 -15.493 0.000) 16.617 10.288 ( -18.627 8.080 0.000) 20.304 10.494 ( -7.724 12.299 0.000) 14.524 10.961 ( -6.543 5.621 0.000) 8.626 10.998 ( -9.297 -25.345 0.000) 26.996 11.502 ( -6.392 4.720 0.000) 7.946 11.792 ( -6.689 -7.180 0.000) 9.813 12.328 ( 5.290 -8.114 0.000) 9.686 12.712 ( -4.211 -8.474 0.000) 9.462 14.544 ( -2.751 -0.579 0.000) 2.812 14.854 ( -4.165 13.434 0.000) 14.065 15.088 ( 1.695 4.860 0.000) 5.147 15.214 ( 5.921 -6.353 0.000) 8.685 15.559 ( 4.787 -11.597 0.000) 12.546 15.754 ( -3.806 9.259 0.000) 10.011 16.366 ( -3.848 -4.457 0.000) 5.888 17.514 ( -23.393 2.126 0.000) 23.489 18.098 ( -16.664 1.704 0.000) 16.751 18.290 ( -17.800 4.280 0.000) 18.307 18.929 ( 6.944 2.954 0.000) 7.546 19.396 ( -1.661 0.517 0.000) 1.739 19.620 ( 22.103 19.854 0.000) 29.711 19.650 ( 10.803 1.731 0.000) 10.941 20.351 ( 5.797 -7.227 0.000) 9.265 20.610 ( 2.128 -0.460 0.000) 2.177 20.848 ( -0.120 -9.666 0.000) 9.667 20.983 ( 4.435 0.249 0.000) 4.442 21.013 ( 3.766 -1.722 0.000) 4.141 21.908 ( 10.226 13.892 0.000) 17.250 22.282 ( -3.425 -3.057 0.000) 4.591 23.111 ( -16.140 -31.748 0.000) 35.615 23.947 ( -16.006 1.760 0.000) 16.102 24.011 ( 0.410 -0.855 0.000) 0.948 24.627 ( 18.439 3.065 0.000) 18.692 25.595 ( 9.794 20.839 0.000) 23.026 26.139 ( -1.598 -4.469 0.000) 4.746 26.481 ( 21.902 35.433 0.000) 41.655 27.655 ( -13.036 -10.588 0.000) 16.794 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 32.304 -22.694 0.000) 39.479 2.093 ( 41.328 -25.813 0.000) 48.727 3.851 ( 80.636 -25.243 0.000) 84.495 4.700 ( -3.559 5.215 0.000) 6.313 5.178 ( 0.612 0.913 0.000) 1.100 5.455 ( 29.784 0.568 0.000) 29.789 5.579 ( -1.553 -14.130 0.000) 14.215 5.786 ( 3.008 -3.723 0.000) 4.786 6.380 ( 10.837 -14.804 0.000) 18.347 6.765 ( -9.800 -3.293 0.000) 10.339 7.100 ( 15.636 6.286 0.000) 16.852 7.496 ( -0.331 -0.447 0.000) 0.556 7.998 ( 7.403 10.810 0.000) 13.102 8.301 ( 10.912 15.839 0.000) 19.234 8.733 ( -0.577 -6.979 0.000) 7.003 9.250 ( 20.027 18.000 0.000) 26.927 9.739 ( -19.646 16.459 0.000) 25.629 10.133 ( 3.103 0.418 0.000) 3.131 10.284 ( -6.456 -9.270 0.000) 11.297 10.672 ( -12.384 13.394 0.000) 18.242 11.085 ( -11.453 -15.182 0.000) 19.018 11.296 ( -3.131 10.654 0.000) 11.104 11.708 ( -10.755 -4.391 0.000) 11.617 12.569 ( 11.195 -7.630 0.000) 13.548 12.785 ( -0.710 -11.716 0.000) 11.738 14.509 ( -1.690 -0.009 0.000) 1.690 14.591 ( -8.759 14.648 0.000) 17.067 14.940 ( -5.888 10.790 0.000) 12.292 15.386 ( -5.433 -8.351 0.000) 9.963 15.601 ( 4.569 7.041 0.000) 8.394 15.791 ( 4.129 -12.315 0.000) 12.989 16.327 ( -9.092 -7.772 0.000) 11.961 17.036 ( -27.785 -1.102 0.000) 27.807 17.428 ( -40.882 4.405 0.000) 41.118 18.234 ( 2.145 0.702 0.000) 2.257 19.001 ( 4.013 0.910 0.000) 4.115 19.354 ( -1.920 1.097 0.000) 2.211 19.718 ( 2.351 4.170 0.000) 4.787 19.806 ( 15.347 6.080 0.000) 16.508 20.575 ( 9.338 -2.098 0.000) 9.571 20.664 ( 4.325 -2.355 0.000) 4.924 20.971 ( 2.956 -6.279 0.000) 6.940 21.077 ( 5.596 -1.972 0.000) 5.934 21.147 ( 6.936 -3.085 0.000) 7.591 21.885 ( 1.791 9.517 0.000) 9.685 22.288 ( -1.002 -5.655 0.000) 5.744 23.159 ( -4.367 -2.814 0.000) 5.195 23.749 ( -6.027 -5.244 0.000) 7.989 24.047 ( 2.018 -1.344 0.000) 2.424 24.881 ( 14.989 4.275 0.000) 15.587 25.497 ( 1.342 11.124 0.000) 11.205 26.154 ( -2.671 -3.939 0.000) 4.759 26.450 ( 10.790 17.641 0.000) 20.679 27.510 ( -11.314 -1.244 0.000) 11.383 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 23.788 -17.874 0.000) 29.755 3.054 ( 37.600 -18.938 0.000) 42.100 4.606 ( 8.758 -1.911 0.000) 8.964 4.952 ( 5.988 3.962 0.000) 7.180 5.417 ( 0.513 -7.911 0.000) 7.927 5.697 ( 29.696 -9.053 0.000) 31.046 5.971 ( 21.767 -16.138 0.000) 27.097 6.258 ( 29.537 -13.487 0.000) 32.470 6.549 ( -9.075 2.715 0.000) 9.472 6.719 ( 5.947 -17.831 0.000) 18.796 7.074 ( -1.809 5.463 0.000) 5.755 7.767 ( 17.551 -4.920 0.000) 18.228 7.896 ( 0.145 16.971 0.000) 16.971 8.370 ( 20.423 16.795 0.000) 26.442 8.744 ( -2.629 -1.080 0.000) 2.842 9.228 ( -16.419 9.800 0.000) 19.122 9.487 ( 22.596 14.842 0.000) 27.034 10.008 ( -1.255 12.118 0.000) 12.183 10.259 ( -14.188 5.272 0.000) 15.136 10.441 ( 0.901 -3.137 0.000) 3.264 10.908 ( -17.792 -5.632 0.000) 18.662 11.261 ( 6.715 4.790 0.000) 8.248 11.525 ( -14.241 -0.796 0.000) 14.263 12.892 ( 12.585 -9.350 0.000) 15.678 12.941 ( 2.805 -12.739 0.000) 13.044 14.155 ( -19.198 16.009 0.000) 24.997 14.470 ( -2.841 1.386 0.000) 3.161 14.738 ( -4.535 5.400 0.000) 7.052 15.168 ( -18.403 0.761 0.000) 18.419 15.717 ( 8.324 7.048 0.000) 10.907 15.954 ( 1.192 -7.408 0.000) 7.504 16.203 ( -16.954 -7.438 0.000) 18.514 16.664 ( -17.300 -5.637 0.000) 18.195 16.780 ( -27.801 -2.579 0.000) 27.920 18.270 ( 2.437 0.541 0.000) 2.497 19.056 ( 3.174 0.010 0.000) 3.174 19.306 ( -1.969 1.450 0.000) 2.445 19.667 ( -2.254 3.151 0.000) 3.874 19.993 ( 11.727 2.951 0.000) 12.093 20.628 ( 0.253 0.358 0.000) 0.439 20.870 ( 11.310 -2.348 0.000) 11.551 21.085 ( 3.481 -3.725 0.000) 5.098 21.197 ( 4.305 -1.640 0.000) 4.606 21.308 ( 5.627 -6.174 0.000) 8.354 21.755 ( -2.725 9.383 0.000) 9.770 22.359 ( 0.803 -4.320 0.000) 4.394 23.045 ( -4.495 4.415 0.000) 6.300 23.835 ( 3.670 -7.796 0.000) 8.616 24.116 ( 3.583 -2.287 0.000) 4.250 24.982 ( 2.285 7.624 0.000) 7.959 25.454 ( 5.970 3.243 0.000) 6.794 26.139 ( -2.250 -1.187 0.000) 2.544 26.450 ( 7.666 9.975 0.000) 12.580 27.305 ( -11.427 1.767 0.000) 11.563 ======================= Grid point 4 (5/93) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 16.126 -14.534 0.000) 21.709 3.739 ( 20.951 -4.746 0.000) 21.482 4.839 ( 7.916 -5.665 0.000) 9.734 4.966 ( 7.261 -0.998 0.000) 7.329 5.405 ( -6.235 -6.580 0.000) 9.065 5.866 ( -3.470 1.411 0.000) 3.745 6.183 ( -6.072 8.124 0.000) 10.143 6.640 ( 4.490 -9.882 0.000) 10.855 6.783 ( 4.087 -13.234 0.000) 13.851 7.103 ( 10.403 1.904 0.000) 10.576 7.265 ( 22.033 -8.385 0.000) 23.575 7.841 ( 24.509 2.647 0.000) 24.652 7.977 ( 0.835 3.227 0.000) 3.334 8.584 ( 21.305 12.676 0.000) 24.791 8.757 ( 2.024 -9.554 0.000) 9.766 8.989 ( -6.560 -1.747 0.000) 6.789 9.357 ( -17.376 17.653 0.000) 24.770 9.950 ( 12.391 11.247 0.000) 16.734 10.182 ( 7.583 -2.101 0.000) 7.869 10.462 ( -0.480 -4.083 0.000) 4.111 10.686 ( -13.189 -2.679 0.000) 13.458 11.108 ( -17.577 16.319 0.000) 23.984 11.421 ( 5.721 -0.688 0.000) 5.763 12.987 ( -7.451 -3.542 0.000) 8.250 13.304 ( 13.118 -14.183 0.000) 19.320 13.761 ( -3.800 5.761 0.000) 6.901 14.351 ( -5.071 7.261 0.000) 8.857 14.617 ( -16.561 -8.139 0.000) 18.452 14.838 ( -5.424 11.143 0.000) 12.393 15.552 ( -14.068 5.768 0.000) 15.204 16.007 ( -3.706 -2.561 0.000) 4.505 16.066 ( 0.301 -1.470 0.000) 1.500 16.526 ( -8.639 -4.264 0.000) 9.634 16.580 ( -5.673 -8.100 0.000) 9.889 18.299 ( 1.494 0.374 0.000) 1.540 19.116 ( 2.926 -1.090 0.000) 3.123 19.250 ( -2.224 1.892 0.000) 2.920 19.594 ( -2.268 1.781 0.000) 2.883 20.129 ( 6.599 1.376 0.000) 6.741 20.623 ( -0.607 -0.462 0.000) 0.763 21.050 ( 7.057 -0.081 0.000) 7.057 21.189 ( 3.805 -3.300 0.000) 5.037 21.253 ( 2.433 0.668 0.000) 2.523 21.430 ( -2.541 -4.451 0.000) 5.125 21.641 ( 2.034 4.547 0.000) 4.982 22.375 ( -1.555 0.258 0.000) 1.576 22.965 ( -1.027 0.987 0.000) 1.425 23.976 ( 3.477 -3.993 0.000) 5.295 24.229 ( 4.916 -4.213 0.000) 6.475 24.822 ( -5.788 9.565 0.000) 11.180 25.592 ( 7.261 -2.393 0.000) 7.645 26.115 ( -1.134 -0.105 0.000) 1.139 26.476 ( 5.884 5.992 0.000) 8.398 27.097 ( -9.306 1.574 0.000) 9.438 ======================= Grid point 5 (6/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 0.000 -0.000 0.000) 0.000 3.880 ( 0.000 -0.000 0.000) 0.000 5.012 ( 0.000 -0.000 0.000) 0.000 5.058 ( -0.000 -0.000 0.000) 0.000 5.401 ( -0.000 -0.000 0.000) 0.000 5.747 ( 0.000 -0.000 0.000) 0.000 6.070 ( 0.000 -0.000 0.000) 0.000 6.729 ( 0.000 -0.000 0.000) 0.000 6.920 ( 0.000 -0.000 0.000) 0.000 7.075 ( 0.000 -0.000 0.000) 0.000 7.513 ( 0.000 -0.000 0.000) 0.000 7.830 ( 0.000 -0.000 0.000) 0.000 8.570 ( 0.000 -0.000 0.000) 0.000 8.594 ( -0.000 0.000 0.000) 0.000 8.786 ( 0.000 -0.000 0.000) 0.000 8.918 ( -0.000 -0.000 0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 -0.000 0.000) 0.000 10.389 ( 0.000 -0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.590 ( -0.000 0.000 0.000) 0.000 10.615 ( 0.000 -0.000 0.000) 0.000 11.494 ( 0.000 -0.000 0.000) 0.000 12.877 ( 0.000 -0.000 0.000) 0.000 13.553 ( 0.000 -0.000 0.000) 0.000 13.821 ( 0.000 -0.000 0.000) 0.000 14.175 ( 0.000 -0.000 0.000) 0.000 14.433 ( 0.000 -0.000 0.000) 0.000 14.774 ( 0.000 -0.000 0.000) 0.000 15.363 ( 0.000 -0.000 0.000) 0.000 15.983 ( 0.000 -0.000 0.000) 0.000 16.090 ( 0.000 -0.000 0.000) 0.000 16.486 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 18.310 ( 0.000 0.000 0.000) 0.000 19.172 ( -0.000 0.000 0.000) 0.000 19.195 ( 0.000 -0.000 0.000) 0.000 19.562 ( 0.000 -0.000 0.000) 0.000 20.180 ( 0.000 -0.000 0.000) 0.000 20.621 ( 0.000 -0.000 0.000) 0.000 21.111 ( 0.000 -0.000 0.000) 0.000 21.238 ( 0.000 -0.000 0.000) 0.000 21.330 ( -0.000 0.000 0.000) 0.000 21.349 ( 0.000 -0.000 0.000) 0.000 21.669 ( 0.000 -0.000 0.000) 0.000 22.347 ( 0.000 -0.000 0.000) 0.000 22.957 ( 0.000 -0.000 0.000) 0.000 24.031 ( 0.000 -0.000 0.000) 0.000 24.329 ( 0.000 -0.000 0.000) 0.000 24.677 ( 0.000 0.000 0.000) 0.000 25.680 ( 0.000 -0.000 0.000) 0.000 26.106 ( 0.000 -0.000 0.000) 0.000 26.498 ( 0.000 0.000 0.000) 0.000 26.995 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/93) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 48.043 0.000 0.000) 48.043 1.763 ( 50.537 0.000 0.000) 50.537 3.477 ( 94.454 0.000 0.000) 94.454 4.861 ( -11.604 -0.000 0.000) 11.604 5.230 ( 0.260 0.000 0.000) 0.260 5.283 ( 3.845 0.000 0.000) 3.845 5.443 ( 21.448 0.000 0.000) 21.448 5.813 ( -1.127 -0.000 0.000) 1.127 6.164 ( 14.969 0.000 0.000) 14.969 6.716 ( -5.047 -0.000 0.000) 5.047 7.185 ( 24.225 0.000 0.000) 24.225 7.485 ( -12.123 -0.000 0.000) 12.123 8.159 ( 12.278 0.000 0.000) 12.278 8.487 ( -5.037 -0.000 0.000) 5.037 8.612 ( 14.628 0.000 0.000) 14.628 9.553 ( 16.959 0.000 0.000) 16.959 9.946 ( 12.335 0.000 0.000) 12.335 9.968 ( -19.289 -0.000 0.000) 19.289 10.321 ( -18.689 -0.000 0.000) 18.689 10.818 ( 0.667 0.000 0.000) 0.667 10.856 ( -12.094 -0.000 0.000) 12.094 11.248 ( -16.624 -0.000 0.000) 16.624 11.875 ( 3.634 0.000 0.000) 3.634 12.323 ( 3.160 0.000 0.000) 3.160 12.669 ( 3.900 0.000 0.000) 3.900 14.526 ( -0.894 -0.000 0.000) 0.894 14.840 ( -8.800 -0.000 0.000) 8.800 15.127 ( -8.555 -0.000 0.000) 8.555 15.211 ( 3.578 0.000 0.000) 3.578 15.598 ( 7.551 0.000 0.000) 7.551 15.690 ( -1.950 -0.000 0.000) 1.950 16.238 ( -8.399 -0.000 0.000) 8.399 17.032 ( -30.072 -0.000 0.000) 30.072 17.480 ( -44.453 -0.000 0.000) 44.453 18.244 ( 1.728 0.000 0.000) 1.728 19.012 ( 2.928 0.000 0.000) 2.928 19.370 ( -1.931 -0.000 0.000) 1.931 19.753 ( 1.108 0.000 0.000) 1.108 19.969 ( 9.161 0.000 0.000) 9.161 20.527 ( 16.597 0.000 0.000) 16.597 20.676 ( 1.638 0.000 0.000) 1.638 20.814 ( 5.153 0.000 0.000) 5.153 21.075 ( 5.577 0.000 0.000) 5.577 21.095 ( 6.511 0.000 0.000) 6.511 22.035 ( -0.972 -0.000 0.000) 0.972 22.202 ( -2.543 -0.000 0.000) 2.543 23.079 ( 15.776 0.000 0.000) 15.776 23.675 ( -15.045 -0.000 0.000) 15.045 24.029 ( 1.750 0.000 0.000) 1.750 24.951 ( 15.409 0.000 0.000) 15.409 25.639 ( -5.597 -0.000 0.000) 5.597 26.077 ( -2.116 -0.000 0.000) 2.116 26.784 ( -3.468 -0.000 0.000) 3.468 27.455 ( -4.892 -0.000 0.000) 4.892 ======================= Grid point 13 (8/93) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 43.859 2.313 0.000) 43.920 2.695 ( 48.163 -10.599 0.000) 49.316 4.675 ( -2.914 4.881 0.000) 5.685 4.958 ( 44.241 -4.177 0.000) 44.438 5.193 ( -7.236 -9.374 0.000) 11.842 5.390 ( 36.542 -6.207 0.000) 37.066 5.726 ( -2.083 -5.513 0.000) 5.893 6.141 ( 34.151 0.599 0.000) 34.156 6.391 ( 6.055 -9.049 0.000) 10.888 6.592 ( -7.522 0.646 0.000) 7.550 7.263 ( -4.180 9.029 0.000) 9.950 7.592 ( 10.989 -8.409 0.000) 13.837 8.233 ( -0.767 11.551 0.000) 11.576 8.483 ( 6.330 -6.981 0.000) 9.424 8.815 ( 12.417 6.610 0.000) 14.067 9.576 ( -17.476 12.532 0.000) 21.505 9.811 ( 13.188 12.280 0.000) 18.020 10.014 ( -3.199 -2.759 0.000) 4.225 10.232 ( 4.188 -6.751 0.000) 7.944 10.574 ( -10.627 9.050 0.000) 13.959 10.751 ( -15.014 -6.209 0.000) 16.248 11.122 ( -4.509 -13.382 0.000) 14.121 11.746 ( -1.671 18.541 0.000) 18.616 12.505 ( 0.843 -19.911 0.000) 19.928 12.826 ( 13.945 -0.067 0.000) 13.945 14.483 ( -5.585 3.804 0.000) 6.757 14.553 ( -14.703 10.290 0.000) 17.946 14.819 ( -19.375 1.094 0.000) 19.406 15.259 ( 1.670 3.949 0.000) 4.287 15.727 ( 1.231 -4.774 0.000) 4.930 15.801 ( 9.086 -3.946 0.000) 9.906 16.062 ( -14.299 -2.879 0.000) 14.586 16.591 ( -18.407 -0.595 0.000) 18.417 16.743 ( -35.699 -0.862 0.000) 35.709 18.282 ( 2.506 0.381 0.000) 2.534 19.053 ( 1.971 -0.121 0.000) 1.975 19.329 ( -2.370 0.528 0.000) 2.428 19.720 ( -3.346 1.019 0.000) 3.498 20.099 ( 9.651 4.318 0.000) 10.573 20.661 ( -0.297 2.193 0.000) 2.213 20.822 ( 14.862 -1.352 0.000) 14.924 20.960 ( 5.621 -5.379 0.000) 7.779 21.170 ( 5.545 0.108 0.000) 5.546 21.215 ( 4.895 -2.675 0.000) 5.578 21.962 ( -2.700 6.913 0.000) 7.421 22.221 ( 0.789 -5.963 0.000) 6.015 23.230 ( 1.728 11.475 0.000) 11.604 23.568 ( -0.766 -13.874 0.000) 13.895 24.073 ( 2.743 -1.131 0.000) 2.967 25.122 ( 5.326 3.767 0.000) 6.523 25.537 ( -2.102 2.614 0.000) 3.354 26.062 ( -1.898 -3.015 0.000) 3.563 26.691 ( 0.424 7.102 0.000) 7.115 27.338 ( -8.857 0.959 0.000) 8.908 ======================= Grid point 14 (9/93) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 33.488 7.783 0.000) 34.381 3.607 ( 41.674 -7.588 0.000) 42.359 4.733 ( 11.222 -2.774 0.000) 11.559 5.097 ( 3.200 8.393 0.000) 8.983 5.179 ( -7.176 -9.707 0.000) 12.072 5.803 ( 0.544 -8.562 0.000) 8.580 6.218 ( -0.114 -8.940 0.000) 8.941 6.371 ( -0.112 2.620 0.000) 2.623 6.724 ( 14.427 -0.234 0.000) 14.429 6.875 ( 42.761 -18.377 0.000) 46.543 7.126 ( 3.759 3.690 0.000) 5.268 7.777 ( -2.704 -14.579 0.000) 14.828 8.116 ( 5.703 12.454 0.000) 13.698 8.600 ( -5.042 -5.480 0.000) 7.446 8.924 ( 13.810 11.835 0.000) 18.188 9.136 ( -11.396 14.818 0.000) 18.694 9.701 ( -13.696 9.610 0.000) 16.731 9.997 ( -5.891 -4.635 0.000) 7.495 10.158 ( -9.706 -0.687 0.000) 9.730 10.456 ( 5.166 6.048 0.000) 7.954 10.694 ( 0.149 -1.694 0.000) 1.701 11.252 ( -0.984 -12.435 0.000) 12.474 11.506 ( 0.744 19.523 0.000) 19.537 12.754 ( -0.018 -20.669 0.000) 20.669 13.116 ( 18.012 1.832 0.000) 18.105 13.985 ( -19.538 12.566 0.000) 23.230 14.409 ( -9.173 0.621 0.000) 9.194 14.530 ( -13.292 -0.906 0.000) 13.323 15.190 ( 4.057 15.253 0.000) 15.784 15.604 ( -21.950 -2.980 0.000) 22.151 15.875 ( -8.280 -7.459 0.000) 11.144 15.953 ( -1.268 -6.089 0.000) 6.219 16.405 ( -2.207 -2.037 0.000) 3.003 16.500 ( 1.534 -2.167 0.000) 2.655 18.314 ( 1.678 0.701 0.000) 1.819 19.089 ( 1.531 -0.892 0.000) 1.772 19.278 ( -2.694 0.650 0.000) 2.771 19.638 ( -3.793 1.392 0.000) 4.040 20.198 ( 6.576 3.766 0.000) 7.578 20.626 ( -1.195 0.733 0.000) 1.402 21.052 ( 8.516 0.206 0.000) 8.518 21.102 ( 6.055 -3.733 0.000) 7.113 21.253 ( 3.147 -0.527 0.000) 3.191 21.327 ( 3.694 -3.541 0.000) 5.117 21.809 ( -3.372 8.442 0.000) 9.091 22.325 ( 1.921 -5.537 0.000) 5.861 23.046 ( -5.328 7.663 0.000) 9.333 23.782 ( 3.788 -11.575 0.000) 12.179 24.155 ( 4.238 -2.436 0.000) 4.888 25.029 ( -6.915 7.007 0.000) 9.844 25.547 ( 3.379 -0.582 0.000) 3.429 26.071 ( -1.247 -2.849 0.000) 3.110 26.653 ( 3.887 6.638 0.000) 7.693 27.139 ( -10.949 2.223 0.000) 11.172 ======================= Grid point 15 (10/93) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 23.320 8.176 0.000) 24.711 4.136 ( 17.905 13.949 0.000) 22.697 5.013 ( 5.867 -1.403 0.000) 6.032 5.098 ( 14.523 5.641 0.000) 15.580 5.219 ( -0.070 -12.248 0.000) 12.249 5.793 ( -5.574 2.234 0.000) 6.005 6.136 ( -6.551 3.741 0.000) 7.544 6.442 ( 0.213 -17.865 0.000) 17.867 6.742 ( -3.121 -2.872 0.000) 4.241 7.296 ( 7.202 -7.983 0.000) 10.751 7.390 ( -1.947 4.528 0.000) 4.929 7.872 ( -7.645 -6.492 0.000) 10.030 8.417 ( 32.032 -6.448 0.000) 32.675 8.511 ( -12.359 -7.449 0.000) 14.430 8.746 ( -19.890 6.172 0.000) 20.826 8.985 ( 3.566 6.995 0.000) 7.852 9.216 ( -16.210 11.782 0.000) 20.039 10.081 ( 8.719 -1.533 0.000) 8.853 10.144 ( -0.123 -13.524 0.000) 13.525 10.396 ( -13.592 1.029 0.000) 13.631 10.595 ( -5.500 5.663 0.000) 7.894 11.257 ( 2.344 29.050 0.000) 29.145 11.344 ( -4.928 -10.899 0.000) 11.961 12.881 ( -0.122 -2.673 0.000) 2.676 13.401 ( 14.749 -7.557 0.000) 16.572 13.836 ( 4.583 -2.164 0.000) 5.068 14.124 ( -18.660 3.322 0.000) 18.953 14.446 ( 3.839 -1.115 0.000) 3.998 15.032 ( -0.966 15.753 0.000) 15.783 15.357 ( -4.038 -0.311 0.000) 4.050 15.875 ( -3.844 -10.213 0.000) 10.913 15.979 ( -1.888 -5.259 0.000) 5.588 16.486 ( 7.944 1.352 0.000) 8.058 16.634 ( 10.019 1.069 0.000) 10.076 18.321 ( 0.104 0.792 0.000) 0.799 19.127 ( 0.563 -2.057 0.000) 2.132 19.221 ( -2.459 0.991 0.000) 2.651 19.576 ( -1.567 0.704 0.000) 1.718 20.220 ( 0.169 2.929 0.000) 2.933 20.617 ( 0.597 -0.213 0.000) 0.634 21.110 ( -0.077 -0.351 0.000) 0.360 21.220 ( 1.632 -0.448 0.000) 1.692 21.329 ( 6.605 -0.370 0.000) 6.615 21.369 ( -2.174 0.695 0.000) 2.283 21.701 ( -0.344 3.344 0.000) 3.362 22.382 ( 1.540 0.927 0.000) 1.797 22.921 ( -4.117 -0.833 0.000) 4.200 23.932 ( 0.013 -8.083 0.000) 8.083 24.267 ( 4.464 -2.945 0.000) 5.348 24.796 ( -8.505 7.038 0.000) 11.039 25.610 ( -0.610 -4.165 0.000) 4.209 26.082 ( -0.744 -1.866 0.000) 2.009 26.616 ( -0.608 8.064 0.000) 8.087 26.977 ( -3.896 -1.230 0.000) 4.085 ======================= Grid point 16 (11/93) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 5.073 18.524 0.000) 19.206 4.005 ( -1.710 22.738 0.000) 22.802 4.933 ( -2.834 4.814 0.000) 5.586 5.192 ( -4.336 13.623 0.000) 14.296 5.415 ( 7.187 -6.110 0.000) 9.433 5.791 ( 2.552 -4.320 0.000) 5.018 6.027 ( 0.311 -3.720 0.000) 3.733 6.631 ( -5.147 -6.756 0.000) 8.493 6.810 ( 3.836 -12.765 0.000) 13.329 7.225 ( -1.442 9.241 0.000) 9.353 7.379 ( -10.956 -3.051 0.000) 11.373 7.743 ( -14.407 -2.260 0.000) 14.583 7.974 ( -25.575 7.112 0.000) 26.546 8.406 ( -28.455 -6.731 0.000) 29.240 8.807 ( 1.093 -10.813 0.000) 10.868 9.038 ( 4.748 -0.420 0.000) 4.766 9.163 ( 12.232 6.086 0.000) 13.662 9.745 ( -39.437 -2.475 0.000) 39.515 10.147 ( -4.518 -3.680 0.000) 5.828 10.488 ( -1.831 -0.576 0.000) 1.920 10.708 ( 28.211 -13.799 0.000) 31.405 10.973 ( -1.250 14.169 0.000) 14.225 11.365 ( -1.050 -1.170 0.000) 1.572 13.018 ( 10.534 -2.545 0.000) 10.837 13.585 ( -0.889 8.194 0.000) 8.242 13.767 ( -9.726 7.862 0.000) 12.507 14.015 ( 4.407 -18.618 0.000) 19.132 14.718 ( 17.930 -2.365 0.000) 18.085 14.888 ( 7.578 12.369 0.000) 14.506 15.417 ( 5.934 -3.086 0.000) 6.688 15.993 ( 7.439 -6.126 0.000) 9.637 16.029 ( 3.289 -1.143 0.000) 3.481 16.618 ( 11.565 4.774 0.000) 12.512 16.770 ( 9.783 5.348 0.000) 11.149 18.301 ( -1.382 0.530 0.000) 1.481 19.118 ( -4.196 -1.136 0.000) 4.347 19.209 ( 1.861 -0.708 0.000) 1.991 19.571 ( 1.108 -0.437 0.000) 1.191 20.137 ( -6.360 1.659 0.000) 6.573 20.639 ( 1.544 0.625 0.000) 1.666 21.055 ( -6.275 0.430 0.000) 6.290 21.221 ( -1.208 -0.979 0.000) 1.555 21.264 ( -5.123 2.585 0.000) 5.738 21.467 ( 7.367 -0.622 0.000) 7.393 21.650 ( -3.345 3.620 0.000) 4.929 22.393 ( 3.177 2.608 0.000) 4.111 22.906 ( -1.895 -4.490 0.000) 4.874 23.970 ( -3.463 -3.918 0.000) 5.229 24.317 ( -2.339 1.728 0.000) 2.908 24.665 ( -0.069 -2.061 0.000) 2.062 25.586 ( -8.237 -3.601 0.000) 8.989 26.077 ( -3.088 -2.293 0.000) 3.846 26.461 ( -5.564 4.463 0.000) 7.132 27.049 ( 7.479 -2.682 0.000) 7.945 ======================= Grid point 17 (12/93) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -6.550 32.434 0.000) 33.088 3.549 ( -19.730 24.798 0.000) 31.689 4.759 ( -20.894 6.719 0.000) 21.948 4.957 ( 8.199 9.913 0.000) 12.865 5.521 ( -3.416 1.162 0.000) 3.608 5.726 ( -12.058 -5.642 0.000) 13.312 6.169 ( -6.198 1.800 0.000) 6.454 6.437 ( -12.384 -2.450 0.000) 12.625 6.822 ( -22.992 19.851 0.000) 30.376 7.006 ( -3.033 -0.250 0.000) 3.043 7.127 ( 1.258 13.086 0.000) 13.147 7.509 ( -4.574 -11.676 0.000) 12.540 7.796 ( -14.920 -6.093 0.000) 16.116 8.004 ( -23.762 -6.512 0.000) 24.638 8.745 ( -5.490 0.877 0.000) 5.560 9.116 ( -10.615 -6.331 0.000) 12.360 9.212 ( -2.739 -4.843 0.000) 5.564 9.463 ( -1.290 -27.414 0.000) 27.444 10.218 ( 7.071 -2.109 0.000) 7.379 10.427 ( -5.935 -2.154 0.000) 6.314 10.945 ( 2.049 -5.314 0.000) 5.696 11.284 ( 8.143 1.265 0.000) 8.240 11.390 ( 18.132 -4.976 0.000) 18.803 13.089 ( -5.584 1.503 0.000) 5.783 13.271 ( -8.128 20.395 0.000) 21.955 13.838 ( 12.866 -10.568 0.000) 16.650 14.318 ( 7.575 -12.630 0.000) 14.727 14.778 ( 5.539 10.109 0.000) 11.527 15.177 ( 18.295 -2.399 0.000) 18.452 15.525 ( -1.629 -5.314 0.000) 5.558 16.100 ( 6.631 5.340 0.000) 8.514 16.311 ( 22.908 0.417 0.000) 22.912 16.789 ( 14.772 4.804 0.000) 15.533 16.891 ( 15.918 6.220 0.000) 17.090 18.264 ( -2.270 0.178 0.000) 2.277 19.046 ( -4.920 -0.840 0.000) 4.991 19.266 ( 2.718 -1.502 0.000) 3.105 19.611 ( 1.529 -1.415 0.000) 2.083 19.971 ( -10.955 0.554 0.000) 10.969 20.639 ( -0.611 1.149 0.000) 1.301 20.910 ( -8.746 0.770 0.000) 8.780 21.144 ( -5.272 1.982 0.000) 5.632 21.206 ( -2.445 -0.714 0.000) 2.547 21.473 ( -10.492 3.285 0.000) 10.995 21.610 ( 8.203 0.885 0.000) 8.251 22.423 ( 2.402 2.250 0.000) 3.291 22.962 ( 3.358 -4.134 0.000) 5.326 23.919 ( -4.613 -0.156 0.000) 4.616 24.191 ( -5.090 4.226 0.000) 6.616 24.784 ( 2.306 -8.446 0.000) 8.755 25.407 ( -14.560 -1.744 0.000) 14.664 26.032 ( -8.128 -7.599 0.000) 11.127 26.375 ( -0.462 2.114 0.000) 2.164 27.250 ( 11.115 -3.009 0.000) 11.515 ======================= Grid point 18 (13/93) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -14.388 39.412 0.000) 41.956 2.805 ( -25.032 31.921 0.000) 40.565 4.253 ( -34.794 7.634 0.000) 35.622 4.856 ( -12.655 15.845 0.000) 20.279 5.232 ( -7.063 4.423 0.000) 8.333 5.447 ( -32.676 3.592 0.000) 32.872 5.772 ( -5.504 6.353 0.000) 8.406 6.107 ( -10.329 18.115 0.000) 20.852 6.659 ( 1.844 0.654 0.000) 1.957 6.888 ( -0.265 12.718 0.000) 12.721 6.981 ( -7.403 -2.688 0.000) 7.876 7.492 ( -14.047 -0.403 0.000) 14.053 7.706 ( 1.302 -11.878 0.000) 11.949 7.885 ( -7.975 -18.025 0.000) 19.710 8.685 ( -12.056 -10.294 0.000) 15.853 8.962 ( -9.545 -8.777 0.000) 12.967 9.421 ( 15.072 -6.988 0.000) 16.613 9.883 ( 8.227 -21.534 0.000) 23.052 10.359 ( 1.779 -4.093 0.000) 4.462 10.402 ( -0.294 -9.114 0.000) 9.119 11.019 ( -6.229 -10.496 0.000) 12.205 11.340 ( 14.540 6.722 0.000) 16.019 11.802 ( 17.116 -1.029 0.000) 17.147 12.798 ( -13.982 12.036 0.000) 18.449 13.029 ( -0.628 10.508 0.000) 10.526 14.224 ( 9.854 -15.187 0.000) 18.104 14.575 ( 10.731 -3.058 0.000) 11.158 14.787 ( 7.653 5.880 0.000) 9.651 15.388 ( -8.434 -10.733 0.000) 13.650 15.543 ( 9.772 5.015 0.000) 10.984 16.084 ( 2.592 12.425 0.000) 12.693 16.563 ( 12.191 10.720 0.000) 16.234 17.045 ( 16.705 -3.652 0.000) 17.100 17.330 ( 36.410 -0.415 0.000) 36.413 18.222 ( -2.333 -0.124 0.000) 2.337 18.973 ( -5.161 -1.343 0.000) 5.333 19.331 ( 3.068 -0.785 0.000) 3.167 19.612 ( -6.650 -2.289 0.000) 7.033 19.769 ( -9.867 0.171 0.000) 9.869 20.588 ( -4.757 -0.524 0.000) 4.786 20.758 ( -4.796 4.063 0.000) 6.286 21.032 ( -5.637 0.928 0.000) 5.713 21.146 ( -4.003 1.752 0.000) 4.370 21.234 ( -11.272 3.117 0.000) 11.695 21.727 ( 3.745 -1.449 0.000) 4.016 22.408 ( 1.016 4.334 0.000) 4.451 23.139 ( 11.525 -4.008 0.000) 12.202 23.847 ( -0.739 2.238 0.000) 2.357 24.085 ( -2.665 2.156 0.000) 3.428 24.807 ( -9.496 -2.473 0.000) 9.812 25.217 ( -13.732 -10.432 0.000) 17.245 25.994 ( -9.745 -12.900 0.000) 16.167 26.357 ( 1.795 4.210 0.000) 4.577 27.486 ( 11.588 -2.880 0.000) 11.940 ======================= Grid point 19 (14/93) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -22.694 40.617 0.000) 46.527 2.004 ( -16.119 43.736 0.000) 46.612 3.092 ( -48.180 51.972 0.000) 70.869 4.577 ( -13.430 -4.348 0.000) 14.116 4.978 ( -11.425 -4.867 0.000) 12.418 5.230 ( 4.360 3.597 0.000) 5.652 5.553 ( -13.936 0.808 0.000) 13.959 5.980 ( 10.836 11.820 0.000) 16.035 6.407 ( -6.848 16.482 0.000) 17.848 6.689 ( -21.409 2.757 0.000) 21.586 7.011 ( 9.830 0.113 0.000) 9.831 7.469 ( 0.163 -11.698 0.000) 11.699 7.827 ( -0.177 -9.030 0.000) 9.032 7.975 ( -3.269 -9.901 0.000) 10.427 8.702 ( -6.304 -20.990 0.000) 21.916 8.835 ( -7.548 5.285 0.000) 9.214 9.841 ( 13.916 -18.061 0.000) 22.800 10.139 ( 4.287 -1.692 0.000) 4.609 10.336 ( -4.466 -4.174 0.000) 6.113 10.664 ( 6.896 -16.510 0.000) 17.892 11.069 ( -3.234 -14.229 0.000) 14.591 11.586 ( 18.466 4.844 0.000) 19.091 11.982 ( 8.684 8.789 0.000) 12.356 12.482 ( -6.417 7.563 0.000) 9.918 12.925 ( 0.682 7.421 0.000) 7.452 14.497 ( 4.077 -11.889 0.000) 12.568 14.701 ( 9.795 8.620 0.000) 13.048 14.948 ( 7.380 -6.136 0.000) 9.597 15.245 ( -13.199 -3.333 0.000) 13.613 15.663 ( 4.769 1.017 0.000) 4.877 15.903 ( -3.081 16.621 0.000) 16.904 16.570 ( 5.448 12.225 0.000) 13.384 17.423 ( 16.751 -8.107 0.000) 18.610 17.988 ( 29.674 -5.771 0.000) 30.230 18.200 ( 0.585 -1.548 0.000) 1.655 18.878 ( -8.319 -0.819 0.000) 8.360 19.389 ( 3.010 0.259 0.000) 3.021 19.400 ( -16.573 -2.225 0.000) 16.722 19.641 ( -7.906 0.153 0.000) 7.907 20.493 ( -3.462 3.858 0.000) 5.184 20.671 ( 0.420 3.740 0.000) 3.763 20.935 ( -4.568 0.035 0.000) 4.569 21.017 ( -7.386 2.271 0.000) 7.728 21.063 ( -4.457 1.882 0.000) 4.838 21.746 ( -2.879 -0.649 0.000) 2.952 22.382 ( 2.094 4.859 0.000) 5.291 23.451 ( 20.862 -1.852 0.000) 20.944 23.910 ( 10.741 -0.403 0.000) 10.748 24.043 ( 0.856 1.830 0.000) 2.020 24.583 ( -14.246 0.712 0.000) 14.264 25.058 ( -29.196 -17.967 0.000) 34.282 26.000 ( -6.811 -12.528 0.000) 14.259 26.321 ( 1.347 6.938 0.000) 7.068 27.705 ( 9.504 -2.570 0.000) 9.845 ======================= Grid point 20 (15/93) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 44.315 0.000) 44.315 1.269 ( 0.000 52.379 0.000) 52.379 1.799 ( 0.000 75.294 0.000) 75.294 4.464 ( -0.000 -4.800 0.000) 4.800 5.078 ( -0.000 -12.732 0.000) 12.732 5.249 ( 0.000 1.296 0.000) 1.296 5.405 ( -0.000 -3.733 0.000) 3.733 5.959 ( 0.000 15.664 0.000) 15.664 6.291 ( 0.000 10.617 0.000) 10.617 6.297 ( 0.000 5.021 0.000) 5.021 7.092 ( 0.000 2.365 0.000) 2.365 7.644 ( -0.000 -14.853 0.000) 14.853 7.958 ( 0.000 0.135 0.000) 0.135 7.993 ( -0.000 -14.299 0.000) 14.299 8.629 ( 0.000 12.053 0.000) 12.053 8.949 ( -0.000 -26.193 0.000) 26.193 10.032 ( 0.000 15.547 0.000) 15.547 10.261 ( -0.000 -22.471 0.000) 22.471 10.397 ( -0.000 -9.728 0.000) 9.728 10.904 ( -0.000 -12.410 0.000) 12.410 11.212 ( -0.000 -11.886 0.000) 11.886 11.658 ( 0.000 17.688 0.000) 17.688 12.022 ( -0.000 -4.975 0.000) 4.975 12.392 ( 0.000 6.481 0.000) 6.481 12.892 ( 0.000 2.226 0.000) 2.226 14.681 ( -0.000 -12.300 0.000) 12.300 14.731 ( 0.000 5.605 0.000) 5.605 15.079 ( 0.000 2.880 0.000) 2.880 15.119 ( -0.000 -7.607 0.000) 7.607 15.609 ( 0.000 14.151 0.000) 14.151 15.693 ( 0.000 5.898 0.000) 5.898 16.486 ( 0.000 9.556 0.000) 9.556 17.697 ( -0.000 -6.556 0.000) 6.556 18.155 ( 0.000 0.052 0.000) 0.052 18.472 ( -0.000 -11.989 0.000) 11.989 18.721 ( 0.000 2.550 0.000) 2.550 19.227 ( -0.000 -0.067 0.000) 0.067 19.429 ( 0.000 0.892 0.000) 0.892 19.506 ( 0.000 1.709 0.000) 1.709 20.399 ( 0.000 6.589 0.000) 6.589 20.652 ( 0.000 3.968 0.000) 3.968 20.886 ( -0.000 -0.209 0.000) 0.209 20.933 ( -0.000 -0.536 0.000) 0.536 21.003 ( 0.000 2.014 0.000) 2.014 21.691 ( 0.000 0.582 0.000) 0.582 22.351 ( 0.000 3.969 0.000) 3.969 23.846 ( -0.000 -10.893 0.000) 10.893 24.007 ( 0.000 0.082 0.000) 0.082 24.358 ( -0.000 -0.855 0.000) 0.855 24.453 ( -0.000 -8.800 0.000) 8.800 24.476 ( 0.000 3.172 0.000) 3.172 26.046 ( -0.000 -7.155 0.000) 7.155 26.243 ( 0.000 7.877 0.000) 7.877 27.842 ( -0.000 -3.193 0.000) 3.193 ======================= Grid point 23 (16/93) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 47.793 0.000 0.000) 47.793 3.408 ( 41.605 0.000 0.000) 41.605 4.683 ( 2.737 0.000 0.000) 2.737 5.023 ( -2.708 -0.000 0.000) 2.708 5.272 ( 11.854 0.000 0.000) 11.854 5.624 ( -3.841 -0.000 0.000) 3.841 6.141 ( 9.260 0.000 0.000) 9.260 6.409 ( -6.383 -0.000 0.000) 6.383 6.615 ( 47.793 0.000 0.000) 47.793 6.716 ( 18.771 0.000 0.000) 18.771 7.324 ( 4.507 0.000 0.000) 4.507 7.446 ( -16.459 -0.000 0.000) 16.459 8.299 ( 4.637 0.000 0.000) 4.637 8.502 ( -5.252 -0.000 0.000) 5.252 9.087 ( 12.826 0.000 0.000) 12.826 9.368 ( -19.031 -0.000 0.000) 19.031 9.775 ( -2.858 -0.000 0.000) 2.858 10.015 ( -14.363 -0.000 0.000) 14.363 10.099 ( -16.342 -0.000 0.000) 16.342 10.578 ( -1.090 -0.000 0.000) 1.090 10.621 ( 9.564 0.000 0.000) 9.564 11.048 ( 3.392 0.000 0.000) 3.392 11.907 ( 6.864 0.000 0.000) 6.864 12.325 ( -3.293 -0.000 0.000) 3.293 13.162 ( 23.643 0.000 0.000) 23.643 14.194 ( -30.376 -0.000 0.000) 30.376 14.418 ( -6.917 -0.000 0.000) 6.917 14.525 ( -12.513 -0.000 0.000) 12.513 15.370 ( 4.340 0.000 0.000) 4.340 15.527 ( -19.316 -0.000 0.000) 19.316 15.795 ( -13.044 -0.000 0.000) 13.044 15.856 ( 0.316 0.000 0.000) 0.316 16.398 ( -0.736 -0.000 0.000) 0.736 16.466 ( 2.984 0.000 0.000) 2.984 18.324 ( 1.801 0.000 0.000) 1.801 19.079 ( 1.212 0.000 0.000) 1.212 19.286 ( -2.806 -0.000 0.000) 2.806 19.653 ( -4.491 -0.000 0.000) 4.491 20.253 ( 5.438 0.000 0.000) 5.438 20.642 ( -2.449 -0.000 0.000) 2.449 21.038 ( 5.123 0.000 0.000) 5.123 21.067 ( 13.408 0.000 0.000) 13.408 21.244 ( 2.532 0.000 0.000) 2.532 21.280 ( 5.227 0.000 0.000) 5.227 21.953 ( -4.589 -0.000 0.000) 4.589 22.204 ( 2.903 0.000 0.000) 2.903 23.227 ( -11.458 -0.000 0.000) 11.458 23.560 ( 9.620 0.000 0.000) 9.620 24.122 ( 3.896 0.000 0.000) 3.896 25.116 ( -7.553 -0.000 0.000) 7.553 25.549 ( 1.250 0.000 0.000) 1.250 26.028 ( -0.269 -0.000 0.000) 0.269 26.731 ( 1.690 0.000 0.000) 1.690 27.176 ( -11.363 -0.000 0.000) 11.363 ======================= Grid point 24 (17/93) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 30.539 20.039 0.000) 36.527 4.241 ( 39.196 -7.425 0.000) 39.893 4.867 ( 11.357 -9.048 0.000) 14.521 5.037 ( 2.483 -0.373 0.000) 2.511 5.382 ( 10.838 15.565 0.000) 18.966 5.719 ( 4.912 -10.819 0.000) 11.882 6.097 ( -3.436 -1.960 0.000) 3.956 6.280 ( -8.049 -0.200 0.000) 8.052 6.751 ( -12.354 3.568 0.000) 12.859 7.176 ( 0.523 -0.569 0.000) 0.773 7.276 ( 5.461 -9.246 0.000) 10.738 7.560 ( -3.177 -13.250 0.000) 13.626 8.378 ( 11.559 1.287 0.000) 11.630 8.435 ( 1.928 -1.149 0.000) 2.244 8.894 ( -31.388 3.728 0.000) 31.609 9.231 ( 7.166 11.140 0.000) 13.245 9.451 ( -20.525 6.784 0.000) 21.618 9.857 ( -10.087 -9.376 0.000) 13.771 10.094 ( 13.768 0.566 0.000) 13.780 10.434 ( -14.287 1.559 0.000) 14.372 10.663 ( -7.157 0.119 0.000) 7.158 11.077 ( -7.518 -7.755 0.000) 10.802 11.924 ( 12.689 27.204 0.000) 30.018 12.538 ( 7.861 -23.814 0.000) 25.077 13.493 ( 6.092 12.177 0.000) 13.616 13.742 ( -6.189 -6.500 0.000) 8.975 14.247 ( -8.369 4.302 0.000) 9.410 14.393 ( -3.470 -2.558 0.000) 4.311 15.188 ( -13.687 -2.359 0.000) 13.889 15.480 ( 10.226 9.612 0.000) 14.034 15.669 ( -2.900 -4.828 0.000) 5.632 15.860 ( -1.406 -4.783 0.000) 4.985 16.531 ( 12.657 1.751 0.000) 12.777 16.615 ( 10.652 -1.676 0.000) 10.783 18.339 ( 0.253 0.551 0.000) 0.607 19.097 ( 0.397 -0.519 0.000) 0.653 19.237 ( -2.309 0.357 0.000) 2.336 19.583 ( -3.021 0.025 0.000) 3.021 20.282 ( -1.217 1.705 0.000) 2.094 20.615 ( 0.225 0.007 0.000) 0.225 21.091 ( 0.345 -0.827 0.000) 0.896 21.241 ( 2.841 1.963 0.000) 3.454 21.301 ( 7.439 -2.016 0.000) 7.708 21.369 ( 3.063 -0.183 0.000) 3.068 21.820 ( -5.022 5.158 0.000) 7.199 22.311 ( 4.417 -5.144 0.000) 6.781 23.000 ( -8.959 5.463 0.000) 10.493 23.725 ( 2.974 -7.185 0.000) 7.777 24.213 ( 5.403 -1.498 0.000) 5.607 24.922 ( -11.429 2.950 0.000) 11.804 25.546 ( -2.780 -1.106 0.000) 2.992 26.037 ( -0.158 -1.396 0.000) 1.405 26.773 ( 3.773 3.836 0.000) 5.381 26.955 ( -11.516 -0.347 0.000) 11.521 ======================= Grid point 25 (18/93) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( 16.120 18.585 0.000) 24.602 4.653 ( 13.755 24.300 0.000) 27.923 5.058 ( 2.658 2.353 0.000) 3.550 5.172 ( 9.303 -6.851 0.000) 11.553 5.494 ( 15.345 7.337 0.000) 17.009 5.719 ( -6.164 0.077 0.000) 6.165 6.033 ( -12.735 4.550 0.000) 13.523 6.360 ( 14.459 -11.729 0.000) 18.618 6.605 ( -4.382 -7.614 0.000) 8.785 7.093 ( -13.560 -8.628 0.000) 16.072 7.223 ( -17.276 -11.573 0.000) 20.794 7.667 ( -0.124 -11.817 0.000) 11.817 8.172 ( -32.752 -6.724 0.000) 33.435 8.305 ( -15.205 17.309 0.000) 23.039 8.669 ( -2.126 -2.233 0.000) 3.083 9.019 ( -9.898 -1.980 0.000) 10.094 9.309 ( 7.572 9.815 0.000) 12.396 9.802 ( -30.280 2.842 0.000) 30.413 10.022 ( -1.842 -6.652 0.000) 6.902 10.464 ( -3.796 -0.743 0.000) 3.868 10.503 ( 14.343 -4.773 0.000) 15.117 10.972 ( -16.380 -8.791 0.000) 18.589 11.728 ( 3.683 26.064 0.000) 26.323 12.880 ( 8.352 -8.299 0.000) 11.774 13.503 ( 0.596 -19.605 0.000) 19.614 13.785 ( 3.719 9.568 0.000) 10.265 14.061 ( -4.806 11.043 0.000) 12.044 14.576 ( 14.325 -10.690 0.000) 17.875 15.083 ( 2.149 4.740 0.000) 5.204 15.519 ( 7.984 9.898 0.000) 12.717 15.824 ( 12.506 -6.274 0.000) 13.991 15.974 ( 9.056 -4.042 0.000) 9.917 16.731 ( 13.764 4.031 0.000) 14.342 16.818 ( 10.717 -0.289 0.000) 10.721 18.320 ( -1.318 0.920 0.000) 1.607 19.090 ( -2.538 -0.729 0.000) 2.640 19.213 ( 0.687 0.507 0.000) 0.854 19.558 ( -0.319 -0.730 0.000) 0.797 20.180 ( -7.658 1.530 0.000) 7.809 20.648 ( 2.925 0.187 0.000) 2.931 21.064 ( -4.809 0.082 0.000) 4.809 21.214 ( -2.399 0.503 0.000) 2.451 21.319 ( -5.932 1.803 0.000) 6.200 21.458 ( 5.986 -0.001 0.000) 5.986 21.729 ( 0.409 3.105 0.000) 3.132 22.435 ( 4.426 -1.725 0.000) 4.750 22.836 ( -4.312 1.157 0.000) 4.465 23.826 ( -0.776 -7.034 0.000) 7.077 24.319 ( 4.029 -0.561 0.000) 4.068 24.695 ( -9.243 2.479 0.000) 9.569 25.475 ( -9.078 -4.261 0.000) 10.029 26.028 ( -4.165 -1.827 0.000) 4.548 26.615 ( -8.799 6.999 0.000) 11.243 26.975 ( 6.814 -3.365 0.000) 7.599 ======================= Grid point 26 (19/93) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( -1.804 23.151 0.000) 23.221 4.319 ( -6.400 37.233 0.000) 37.779 4.907 ( -15.031 8.918 0.000) 17.478 5.386 ( 9.540 17.623 0.000) 20.039 5.469 ( 5.298 -4.729 0.000) 7.102 5.527 ( -20.058 -4.255 0.000) 20.504 6.054 ( 6.161 -10.606 0.000) 12.266 6.434 ( -13.552 1.103 0.000) 13.597 6.845 ( 10.887 -7.364 0.000) 13.144 6.968 ( -15.299 -9.705 0.000) 18.117 7.212 ( -6.221 -12.018 0.000) 13.533 7.406 ( -10.591 4.933 0.000) 11.683 7.779 ( -24.220 3.678 0.000) 24.498 8.066 ( 0.156 9.422 0.000) 9.424 8.643 ( -7.307 -16.784 0.000) 18.306 8.899 ( -16.591 -9.927 0.000) 19.334 9.076 ( -28.229 6.450 0.000) 28.956 9.241 ( -4.362 2.523 0.000) 5.039 10.167 ( 8.650 -2.624 0.000) 9.039 10.355 ( -9.782 -5.294 0.000) 11.123 10.720 ( -17.377 -8.697 0.000) 19.432 11.055 ( 22.814 -12.213 0.000) 25.877 11.570 ( 3.886 10.781 0.000) 11.460 13.076 ( 4.249 -2.056 0.000) 4.721 13.561 ( -6.979 -5.007 0.000) 8.589 13.830 ( 0.391 15.052 0.000) 15.057 14.009 ( 16.395 -8.992 0.000) 18.699 14.921 ( 7.900 -10.523 0.000) 13.159 15.111 ( 9.596 9.560 0.000) 13.546 15.554 ( 6.463 4.804 0.000) 8.053 16.162 ( 14.476 -3.470 0.000) 14.886 16.271 ( 23.779 0.733 0.000) 23.790 16.890 ( 8.421 3.116 0.000) 8.980 17.030 ( 19.983 5.513 0.000) 20.729 18.278 ( -2.097 0.923 0.000) 2.292 19.030 ( -4.615 -0.312 0.000) 4.625 19.249 ( 3.294 -0.099 0.000) 3.296 19.582 ( 1.258 -1.357 0.000) 1.850 19.998 ( -11.206 1.307 0.000) 11.282 20.677 ( 0.239 1.879 0.000) 1.894 20.915 ( -10.000 0.090 0.000) 10.001 21.166 ( -4.498 -0.878 0.000) 4.583 21.193 ( -5.309 0.392 0.000) 5.323 21.463 ( -6.464 -0.077 0.000) 6.464 21.744 ( 7.159 5.495 0.000) 9.025 22.497 ( 4.087 3.209 0.000) 5.196 22.843 ( 2.447 -4.523 0.000) 5.143 23.863 ( -2.307 -4.023 0.000) 4.637 24.294 ( -4.234 4.421 0.000) 6.121 24.632 ( 0.940 -4.332 0.000) 4.432 25.321 ( -15.700 -5.442 0.000) 16.617 25.903 ( -12.948 -3.237 0.000) 13.347 26.458 ( -0.770 4.373 0.000) 4.440 27.168 ( 9.982 -3.756 0.000) 10.665 ======================= Grid point 27 (20/93) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -9.538 28.390 0.000) 29.949 3.594 ( -27.829 33.717 0.000) 43.718 4.444 ( -17.444 11.957 0.000) 21.149 5.214 ( -17.360 2.764 0.000) 17.579 5.308 ( 2.964 17.557 0.000) 17.805 5.571 ( -7.942 0.697 0.000) 7.972 5.989 ( -11.855 11.381 0.000) 16.433 6.330 ( 1.822 -7.126 0.000) 7.355 6.584 ( -17.751 -0.294 0.000) 17.753 6.925 ( -7.159 1.159 0.000) 7.252 7.208 ( -12.627 2.591 0.000) 12.890 7.474 ( 7.183 -6.005 0.000) 9.363 7.564 ( 8.497 1.736 0.000) 8.672 7.635 ( -24.081 8.300 0.000) 25.471 8.503 ( -25.966 -4.515 0.000) 26.356 8.697 ( 1.780 -10.491 0.000) 10.641 9.259 ( 12.916 -27.795 0.000) 30.650 9.334 ( 9.531 -4.528 0.000) 10.552 10.186 ( -14.262 -5.906 0.000) 15.437 10.309 ( 2.930 -1.613 0.000) 3.345 10.638 ( -11.934 -21.378 0.000) 24.483 11.378 ( 0.774 -5.344 0.000) 5.399 11.713 ( 16.379 -5.115 0.000) 17.159 13.015 ( -3.888 9.252 0.000) 10.036 13.395 ( -3.846 15.586 0.000) 16.053 13.913 ( 9.588 -9.143 0.000) 13.249 14.389 ( 14.945 -8.203 0.000) 17.048 15.084 ( 3.617 -1.676 0.000) 3.986 15.159 ( 5.843 6.586 0.000) 8.805 15.629 ( 6.588 2.551 0.000) 7.064 16.345 ( 9.124 7.869 0.000) 12.049 16.665 ( 15.749 -5.986 0.000) 16.848 16.958 ( 4.933 4.029 0.000) 6.369 17.443 ( 35.584 7.337 0.000) 36.333 18.231 ( -1.998 0.830 0.000) 2.163 18.951 ( -4.598 -0.338 0.000) 4.610 19.318 ( 4.122 -0.342 0.000) 4.136 19.599 ( -2.385 0.067 0.000) 2.386 19.779 ( -11.016 0.792 0.000) 11.045 20.568 ( -9.814 -0.759 0.000) 9.844 20.813 ( -1.882 0.571 0.000) 1.967 21.053 ( -6.751 0.863 0.000) 6.806 21.131 ( -5.871 -2.782 0.000) 6.497 21.278 ( -10.788 2.450 0.000) 11.063 21.822 ( 8.803 6.603 0.000) 11.004 22.508 ( 2.637 4.648 0.000) 5.343 23.006 ( 8.486 -6.457 0.000) 10.663 23.858 ( -0.683 -0.878 0.000) 1.112 24.160 ( -3.773 4.209 0.000) 5.653 24.719 ( -0.330 -4.869 0.000) 4.880 25.055 ( -20.844 -4.555 0.000) 21.336 25.734 ( -12.662 -8.823 0.000) 15.433 26.446 ( 2.998 3.194 0.000) 4.380 27.393 ( 9.944 -4.621 0.000) 10.965 ======================= Grid point 28 (21/93) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -30.410 28.985 0.000) 42.011 2.944 ( -8.045 35.584 0.000) 36.483 4.080 ( -2.097 26.518 0.000) 26.600 4.747 ( -32.655 18.891 0.000) 37.726 4.911 ( -9.524 4.784 0.000) 10.658 5.441 ( 6.104 13.800 0.000) 15.090 5.671 ( -13.868 9.695 0.000) 16.921 6.243 ( 4.575 10.720 0.000) 11.656 6.613 ( -3.426 -6.963 0.000) 7.761 6.803 ( -9.952 6.104 0.000) 11.675 6.885 ( -6.984 -5.548 0.000) 8.919 7.267 ( -9.546 -2.190 0.000) 9.794 7.721 ( 6.584 3.219 0.000) 7.329 7.768 ( 10.298 -11.517 0.000) 15.450 8.222 ( -17.162 -14.188 0.000) 22.267 8.910 ( 6.591 -2.798 0.000) 7.161 9.519 ( 3.192 -7.506 0.000) 8.156 9.771 ( 7.350 -24.050 0.000) 25.149 10.170 ( 0.601 -15.812 0.000) 15.824 10.351 ( -1.572 -5.736 0.000) 5.947 10.714 ( -8.093 -19.271 0.000) 20.901 11.466 ( 1.688 -10.149 0.000) 10.289 12.024 ( 9.445 -7.100 0.000) 11.816 12.789 ( -4.086 16.076 0.000) 16.587 13.170 ( 0.132 16.145 0.000) 16.145 14.193 ( 5.675 -13.188 0.000) 14.358 14.708 ( 11.697 -5.965 0.000) 13.130 15.113 ( -8.641 -7.573 0.000) 11.490 15.142 ( 11.541 18.571 0.000) 21.864 15.695 ( 2.975 1.150 0.000) 3.189 16.293 ( 1.369 15.517 0.000) 15.577 16.892 ( 9.080 13.097 0.000) 15.937 17.059 ( 2.777 -19.640 0.000) 19.836 17.987 ( 31.272 5.083 0.000) 31.683 18.198 ( 0.184 0.998 0.000) 1.015 18.877 ( -4.447 0.346 0.000) 4.461 19.377 ( -2.355 -0.390 0.000) 2.387 19.436 ( -6.529 3.442 0.000) 7.381 19.649 ( -6.038 0.235 0.000) 6.043 20.465 ( -4.784 -5.630 0.000) 7.388 20.776 ( 0.180 4.081 0.000) 4.085 20.933 ( -5.653 0.289 0.000) 5.660 21.011 ( -10.601 -2.485 0.000) 10.888 21.121 ( -2.671 3.682 0.000) 4.548 21.856 ( 4.352 8.245 0.000) 9.324 22.493 ( 2.156 4.727 0.000) 5.196 23.268 ( 9.813 -9.828 0.000) 13.888 23.903 ( 5.882 -0.675 0.000) 5.920 24.096 ( 2.277 2.771 0.000) 3.586 24.641 ( -10.734 3.094 0.000) 11.171 24.762 ( -20.661 -8.476 0.000) 22.332 25.705 ( -5.307 -12.750 0.000) 13.811 26.454 ( 2.253 4.132 0.000) 4.706 27.604 ( 6.972 -5.441 0.000) 8.844 ======================= Grid point 29 (22/93) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 34.069 0.000) 34.069 2.400 ( 0.000 43.319 0.000) 43.319 3.472 ( 0.000 65.872 0.000) 65.872 4.352 ( -0.000 -3.195 0.000) 3.195 4.841 ( -0.000 -5.237 0.000) 5.237 5.368 ( 0.000 10.574 0.000) 10.574 5.426 ( 0.000 4.802 0.000) 4.802 6.241 ( 0.000 8.510 0.000) 8.510 6.477 ( 0.000 4.556 0.000) 4.556 6.550 ( 0.000 15.538 0.000) 15.538 7.034 ( -0.000 -12.176 0.000) 12.176 7.298 ( -0.000 -12.685 0.000) 12.685 7.740 ( -0.000 -1.479 0.000) 1.479 7.958 ( -0.000 -0.638 0.000) 0.638 8.310 ( -0.000 -27.759 0.000) 27.759 8.892 ( 0.000 9.582 0.000) 9.582 9.730 ( -0.000 -20.456 0.000) 20.456 10.067 ( -0.000 -18.172 0.000) 18.172 10.280 ( 0.000 3.043 0.000) 3.043 10.512 ( -0.000 -20.124 0.000) 20.124 10.846 ( -0.000 -16.991 0.000) 16.991 11.643 ( -0.000 -13.154 0.000) 13.154 12.170 ( 0.000 0.990 0.000) 0.990 12.552 ( 0.000 14.625 0.000) 14.625 13.016 ( 0.000 10.235 0.000) 10.235 14.395 ( -0.000 -12.634 0.000) 12.634 14.919 ( -0.000 -7.421 0.000) 7.421 14.980 ( 0.000 10.381 0.000) 10.381 15.115 ( 0.000 4.065 0.000) 4.065 15.710 ( 0.000 0.689 0.000) 0.689 16.081 ( 0.000 19.265 0.000) 19.265 16.785 ( 0.000 15.222 0.000) 15.222 17.368 ( -0.000 -21.902 0.000) 21.902 18.158 ( 0.000 0.314 0.000) 0.314 18.312 ( 0.000 0.560 0.000) 0.560 18.790 ( 0.000 2.922 0.000) 2.922 19.239 ( 0.000 1.251 0.000) 1.251 19.449 ( 0.000 0.813 0.000) 0.813 19.551 ( 0.000 1.839 0.000) 1.839 20.496 ( -0.000 -1.978 0.000) 1.978 20.729 ( 0.000 4.031 0.000) 4.031 20.879 ( -0.000 -0.341 0.000) 0.341 20.917 ( -0.000 -0.811 0.000) 0.811 21.061 ( 0.000 2.891 0.000) 2.891 21.788 ( 0.000 8.004 0.000) 8.004 22.460 ( 0.000 4.861 0.000) 4.861 23.521 ( -0.000 -14.736 0.000) 14.736 23.991 ( -0.000 -1.603 0.000) 1.603 24.294 ( -0.000 -4.077 0.000) 4.077 24.348 ( -0.000 -0.071 0.000) 0.071 24.559 ( 0.000 3.747 0.000) 3.747 25.814 ( -0.000 -12.229 0.000) 12.229 26.416 ( 0.000 5.982 0.000) 5.982 27.737 ( -0.000 -5.564 0.000) 5.564 ======================= Grid point 34 (23/93) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 9.771 0.000 0.000) 9.771 4.804 ( 29.670 0.000 0.000) 29.670 5.088 ( 17.509 0.000 0.000) 17.509 5.171 ( 11.625 0.000 0.000) 11.625 5.582 ( 1.251 0.000 0.000) 1.251 5.759 ( -4.664 -0.000 0.000) 4.664 6.148 ( -7.055 -0.000 0.000) 7.055 6.198 ( 22.906 0.000 0.000) 22.906 6.490 ( -11.960 -0.000 0.000) 11.960 6.983 ( -31.172 -0.000 0.000) 31.172 7.035 ( -13.649 -0.000 0.000) 13.649 7.426 ( 6.698 0.000 0.000) 6.698 8.124 ( -38.869 -0.000 0.000) 38.869 8.547 ( -2.637 -0.000 0.000) 2.637 8.637 ( -0.411 -0.000 0.000) 0.411 8.986 ( -20.409 -0.000 0.000) 20.409 9.532 ( -16.645 -0.000 0.000) 16.645 9.757 ( 19.513 0.000 0.000) 19.513 9.949 ( -18.035 -0.000 0.000) 18.035 10.399 ( -22.599 -0.000 0.000) 22.599 10.498 ( 16.101 0.000 0.000) 16.101 10.841 ( -12.180 -0.000 0.000) 12.180 12.175 ( -10.201 -0.000 0.000) 10.201 12.695 ( 27.079 0.000 0.000) 27.079 13.225 ( -17.522 -0.000 0.000) 17.522 13.961 ( 8.147 0.000 0.000) 8.147 14.247 ( 8.940 0.000 0.000) 8.940 14.333 ( -0.355 -0.000 0.000) 0.355 15.144 ( 7.506 0.000 0.000) 7.506 15.650 ( 2.381 0.000 0.000) 2.381 15.830 ( 5.053 0.000 0.000) 5.053 15.841 ( 23.293 0.000 0.000) 23.293 16.774 ( 9.040 0.000 0.000) 9.040 16.813 ( 17.041 0.000 0.000) 17.041 18.333 ( -1.284 -0.000 0.000) 1.284 19.084 ( -1.890 -0.000 0.000) 1.890 19.220 ( 0.441 0.000 0.000) 0.441 19.547 ( -0.928 -0.000 0.000) 0.928 20.198 ( -8.613 -0.000 0.000) 8.613 20.650 ( 3.419 0.000 0.000) 3.419 21.063 ( -3.483 -0.000 0.000) 3.483 21.225 ( -3.266 -0.000 0.000) 3.266 21.341 ( -6.290 -0.000 0.000) 6.290 21.460 ( 6.802 0.000 0.000) 6.802 21.779 ( -1.131 -0.000 0.000) 1.131 22.372 ( 5.806 0.000 0.000) 5.806 22.892 ( -5.838 -0.000 0.000) 5.838 23.725 ( 1.632 0.000 0.000) 1.632 24.310 ( 6.426 0.000 0.000) 6.426 24.728 ( -12.126 -0.000 0.000) 12.126 25.424 ( -10.211 -0.000 0.000) 10.211 26.004 ( -3.978 -0.000 0.000) 3.978 26.716 ( -12.447 -0.000 0.000) 12.447 26.921 ( 8.605 0.000 0.000) 8.605 ======================= Grid point 35 (24/93) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.336 ( 1.171 12.049 0.000) 12.106 4.999 ( -14.532 15.981 0.000) 21.600 5.154 ( -2.985 4.678 0.000) 5.549 5.273 ( -1.108 0.971 0.000) 1.473 5.500 ( -10.306 4.026 0.000) 11.064 5.715 ( 7.747 -9.924 0.000) 12.589 5.991 ( 3.137 17.203 0.000) 17.487 6.396 ( -2.940 -2.740 0.000) 4.018 6.613 ( 6.789 -11.701 0.000) 13.528 6.758 ( -13.776 -5.661 0.000) 14.894 6.959 ( 23.297 -7.930 0.000) 24.610 7.413 ( -30.703 0.275 0.000) 30.704 7.644 ( -1.787 -11.852 0.000) 11.986 8.265 ( -20.603 0.304 0.000) 20.605 8.478 ( -8.409 6.920 0.000) 10.891 8.793 ( -12.672 0.094 0.000) 12.673 9.212 ( -17.993 -3.817 0.000) 18.393 9.383 ( -21.900 13.162 0.000) 25.551 10.016 ( -17.279 -9.379 0.000) 19.660 10.243 ( 7.196 -2.638 0.000) 7.664 10.634 ( -13.523 -0.412 0.000) 13.529 10.818 ( 18.613 -5.920 0.000) 19.532 11.805 ( -19.996 7.333 0.000) 21.298 13.055 ( 14.634 2.548 0.000) 14.854 13.266 ( 7.115 -14.682 0.000) 16.315 13.968 ( 1.364 3.258 0.000) 3.532 14.226 ( 6.440 14.695 0.000) 16.045 14.601 ( 8.488 -14.160 0.000) 16.509 15.320 ( 14.472 5.514 0.000) 15.487 15.647 ( 0.164 2.142 0.000) 2.149 16.027 ( 12.169 -4.432 0.000) 12.951 16.323 ( 28.782 1.609 0.000) 28.827 16.929 ( 9.944 0.615 0.000) 9.963 17.131 ( 22.638 2.539 0.000) 22.780 18.299 ( -2.004 0.630 0.000) 2.101 19.030 ( -3.953 0.149 0.000) 3.956 19.252 ( 3.030 0.164 0.000) 3.035 19.553 ( 0.856 -0.849 0.000) 1.206 20.018 ( -11.318 0.361 0.000) 11.324 20.712 ( 3.398 0.863 0.000) 3.506 20.924 ( -13.282 0.513 0.000) 13.292 21.151 ( -4.885 0.038 0.000) 4.885 21.187 ( -8.794 -0.896 0.000) 8.840 21.485 ( -3.408 1.160 0.000) 3.600 21.825 ( 6.938 1.715 0.000) 7.146 22.488 ( 4.946 -2.690 0.000) 5.630 22.839 ( 2.242 2.567 0.000) 3.409 23.770 ( 1.259 -2.817 0.000) 3.086 24.396 ( 2.313 3.812 0.000) 4.459 24.552 ( -6.088 -2.933 0.000) 6.758 25.209 ( -16.163 -2.974 0.000) 16.435 25.857 ( -13.953 -0.980 0.000) 13.987 26.549 ( -3.925 2.514 0.000) 4.661 27.095 ( 9.594 -1.971 0.000) 9.795 ======================= Grid point 36 (25/93) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( -24.107 13.792 0.000) 27.774 4.126 ( -34.939 20.510 0.000) 40.515 4.859 ( -7.387 19.063 0.000) 20.444 5.258 ( -15.729 3.037 0.000) 16.019 5.463 ( 8.377 -7.201 0.000) 11.046 5.837 ( 6.241 18.427 0.000) 19.455 5.977 ( 4.437 -7.453 0.000) 8.673 6.291 ( -8.982 6.136 0.000) 10.878 6.494 ( -13.285 -4.295 0.000) 13.962 6.839 ( -2.669 -9.289 0.000) 9.665 7.169 ( -4.168 3.492 0.000) 5.437 7.450 ( 0.812 -4.531 0.000) 4.604 7.590 ( 17.812 -0.513 0.000) 17.820 7.954 ( -26.943 6.428 0.000) 27.699 8.412 ( -22.489 -0.552 0.000) 22.496 8.499 ( 14.670 -7.795 0.000) 16.612 8.936 ( -7.442 8.643 0.000) 11.405 9.156 ( 0.673 -11.330 0.000) 11.350 9.976 ( -11.899 -22.060 0.000) 25.065 10.194 ( -14.664 -1.085 0.000) 14.704 10.367 ( -10.857 1.792 0.000) 11.004 11.164 ( 1.993 -9.587 0.000) 9.792 11.547 ( -4.705 -9.044 0.000) 10.195 13.248 ( 10.721 8.346 0.000) 13.587 13.491 ( 7.837 -3.506 0.000) 8.585 13.936 ( -0.210 5.848 0.000) 5.851 14.305 ( 15.790 3.043 0.000) 16.080 14.831 ( 1.160 -10.997 0.000) 11.058 15.479 ( 13.682 11.234 0.000) 17.703 15.664 ( 4.560 0.354 0.000) 4.574 16.252 ( 2.602 -11.223 0.000) 11.521 16.662 ( 13.144 5.189 0.000) 14.131 17.109 ( 14.241 5.736 0.000) 15.353 17.598 ( 35.718 5.078 0.000) 36.077 18.257 ( -1.457 1.152 0.000) 1.858 18.953 ( -4.277 0.301 0.000) 4.288 19.313 ( 3.782 -0.143 0.000) 3.785 19.585 ( 0.820 -1.160 0.000) 1.421 19.808 ( -11.473 1.327 0.000) 11.549 20.569 ( -18.370 0.842 0.000) 18.389 20.802 ( 0.993 -1.095 0.000) 1.478 21.059 ( -6.778 -1.190 0.000) 6.881 21.069 ( -6.969 -1.073 0.000) 7.051 21.357 ( -6.445 3.615 0.000) 7.390 21.936 ( 8.077 2.754 0.000) 8.533 22.583 ( 3.525 -0.187 0.000) 3.530 22.915 ( 8.160 0.431 0.000) 8.171 23.822 ( 1.599 -1.794 0.000) 2.403 24.278 ( -4.412 5.711 0.000) 7.217 24.613 ( 3.069 -4.174 0.000) 5.181 24.943 ( -19.752 -4.954 0.000) 20.364 25.590 ( -17.368 -3.599 0.000) 17.737 26.510 ( 1.609 2.211 0.000) 2.735 27.290 ( 8.696 -3.753 0.000) 9.472 ======================= Grid point 37 (26/93) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -41.273 9.330 0.000) 42.314 3.677 ( -5.245 28.272 0.000) 28.754 4.541 ( -3.670 17.233 0.000) 17.619 4.879 ( -18.463 4.533 0.000) 19.011 5.546 ( 2.836 27.422 0.000) 27.569 5.688 ( 3.095 8.769 0.000) 9.299 6.011 ( -7.713 10.750 0.000) 13.231 6.198 ( 0.842 -19.996 0.000) 20.014 6.420 ( 4.118 3.826 0.000) 5.621 6.769 ( -15.473 2.807 0.000) 15.726 6.970 ( -10.931 -0.910 0.000) 10.969 7.301 ( -7.092 3.185 0.000) 7.775 7.646 ( -0.247 7.108 0.000) 7.112 7.874 ( 10.220 6.323 0.000) 12.017 8.073 ( -11.375 0.509 0.000) 11.386 8.789 ( 14.969 -3.481 0.000) 15.368 9.163 ( 9.329 -25.652 0.000) 27.296 9.386 ( 4.168 -8.960 0.000) 9.881 9.846 ( -13.319 -7.253 0.000) 15.166 10.123 ( -12.287 -27.315 0.000) 29.951 10.270 ( -3.311 -4.268 0.000) 5.402 11.166 ( -9.803 -15.047 0.000) 17.958 11.747 ( 4.050 -14.269 0.000) 14.832 13.189 ( 2.844 18.077 0.000) 18.300 13.585 ( 5.792 14.612 0.000) 15.718 13.932 ( 2.578 -6.581 0.000) 7.068 14.594 ( 14.287 -3.784 0.000) 14.780 14.913 ( -4.719 -8.680 0.000) 9.880 15.543 ( 10.960 12.761 0.000) 16.821 15.730 ( 2.386 3.126 0.000) 3.932 16.433 ( 2.143 -15.342 0.000) 15.491 16.691 ( -1.496 4.225 0.000) 4.482 17.234 ( 10.675 12.400 0.000) 16.362 18.118 ( 20.689 4.147 0.000) 21.100 18.258 ( 11.756 4.513 0.000) 12.592 18.885 ( -3.017 0.289 0.000) 3.031 19.368 ( 0.581 -0.387 0.000) 0.698 19.534 ( -6.262 4.285 0.000) 7.588 19.644 ( -4.678 -0.464 0.000) 4.701 20.297 ( -13.946 -7.385 0.000) 15.781 20.832 ( 1.920 0.947 0.000) 2.141 20.946 ( -6.816 -0.773 0.000) 6.860 20.961 ( -6.114 -0.129 0.000) 6.115 21.222 ( -2.900 4.743 0.000) 5.559 22.021 ( 5.639 4.307 0.000) 7.096 22.607 ( 2.085 4.092 0.000) 4.592 23.084 ( 7.343 -4.459 0.000) 8.590 23.882 ( 3.922 -1.006 0.000) 4.049 24.178 ( 0.767 4.236 0.000) 4.305 24.620 ( -18.080 -3.970 0.000) 18.511 24.690 ( -2.911 0.392 0.000) 2.937 25.426 ( -9.226 -10.344 0.000) 13.861 26.522 ( 1.918 1.952 0.000) 2.737 27.471 ( 5.575 -5.469 0.000) 7.810 ======================= Grid point 38 (27/93) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 0.000 14.998 0.000) 14.998 3.276 ( 0.000 32.055 0.000) 32.055 4.387 ( 0.000 6.731 0.000) 6.731 4.576 ( 0.000 17.768 0.000) 17.768 5.114 ( 0.000 38.351 0.000) 38.351 5.586 ( 0.000 7.868 0.000) 7.868 5.771 ( 0.000 21.237 0.000) 21.237 6.442 ( 0.000 8.943 0.000) 8.943 6.447 ( -0.000 -14.238 0.000) 14.238 6.612 ( -0.000 -12.608 0.000) 12.608 6.797 ( 0.000 2.206 0.000) 2.206 7.218 ( 0.000 8.741 0.000) 8.741 7.718 ( -0.000 -19.982 0.000) 19.982 7.900 ( 0.000 11.629 0.000) 11.629 7.927 ( -0.000 -1.106 0.000) 1.106 9.048 ( 0.000 2.605 0.000) 2.605 9.334 ( -0.000 -12.788 0.000) 12.788 9.578 ( -0.000 -22.104 0.000) 22.104 10.016 ( -0.000 -21.040 0.000) 21.040 10.219 ( -0.000 -9.640 0.000) 9.640 10.378 ( -0.000 -20.345 0.000) 20.345 11.281 ( -0.000 -17.712 0.000) 17.712 11.951 ( -0.000 -14.438 0.000) 14.438 12.983 ( 0.000 19.625 0.000) 19.625 13.405 ( 0.000 20.726 0.000) 20.726 14.091 ( -0.000 -12.605 0.000) 12.605 14.806 ( -0.000 -2.433 0.000) 2.433 14.917 ( -0.000 -8.387 0.000) 8.387 15.487 ( 0.000 18.805 0.000) 18.805 15.708 ( -0.000 -0.558 0.000) 0.558 16.491 ( 0.000 15.108 0.000) 15.108 16.772 ( -0.000 -26.745 0.000) 26.745 17.159 ( 0.000 15.863 0.000) 15.863 18.171 ( 0.000 0.778 0.000) 0.778 18.441 ( 0.000 8.349 0.000) 8.349 18.842 ( 0.000 1.384 0.000) 1.384 19.287 ( 0.000 2.703 0.000) 2.703 19.473 ( 0.000 1.494 0.000) 1.494 19.585 ( 0.000 1.011 0.000) 1.011 20.305 ( -0.000 -11.737 0.000) 11.737 20.838 ( 0.000 4.082 0.000) 4.082 20.871 ( -0.000 -0.359 0.000) 0.359 20.898 ( -0.000 -0.707 0.000) 0.707 21.145 ( 0.000 4.337 0.000) 4.337 22.001 ( 0.000 7.957 0.000) 7.957 22.571 ( 0.000 4.899 0.000) 4.899 23.233 ( -0.000 -9.062 0.000) 9.062 23.947 ( -0.000 -1.592 0.000) 1.592 24.249 ( -0.000 -0.307 0.000) 0.307 24.352 ( 0.000 0.325 0.000) 0.325 24.643 ( 0.000 3.265 0.000) 3.265 25.502 ( -0.000 -13.749 0.000) 13.749 26.514 ( 0.000 2.683 0.000) 2.683 27.593 ( -0.000 -6.370 0.000) 6.370 ======================= Grid point 45 (28/93) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( -49.597 -0.000 0.000) 49.597 4.530 ( -10.647 -0.000 0.000) 10.647 5.084 ( -13.717 -0.000 0.000) 13.717 5.138 ( -5.001 -0.000 0.000) 5.001 5.502 ( -11.844 -0.000 0.000) 11.844 5.744 ( 10.613 0.000 0.000) 10.613 6.214 ( -5.462 -0.000 0.000) 5.462 6.398 ( -2.818 -0.000 0.000) 2.818 6.419 ( 7.212 0.000 0.000) 7.212 6.746 ( -4.064 -0.000 0.000) 4.064 7.184 ( 22.154 0.000 0.000) 22.154 7.357 ( -18.282 -0.000 0.000) 18.282 7.584 ( 25.863 0.000 0.000) 25.863 7.831 ( -11.609 -0.000 0.000) 11.609 8.398 ( -15.242 -0.000 0.000) 15.242 8.765 ( 6.982 0.000 0.000) 6.982 8.775 ( -17.592 -0.000 0.000) 17.592 9.309 ( -4.806 -0.000 0.000) 4.806 9.481 ( -26.138 -0.000 0.000) 26.138 10.208 ( -13.493 -0.000 0.000) 13.493 10.432 ( -10.908 -0.000 0.000) 10.908 11.038 ( 2.697 0.000 0.000) 2.697 11.399 ( -16.915 -0.000 0.000) 16.915 13.326 ( 16.630 0.000 0.000) 16.630 13.463 ( 15.669 0.000 0.000) 15.669 14.000 ( 1.724 0.000 0.000) 1.724 14.414 ( 4.023 0.000 0.000) 4.023 14.660 ( 7.928 0.000 0.000) 7.928 15.632 ( 16.818 0.000 0.000) 16.818 15.650 ( -0.093 -0.000 0.000) 0.093 16.094 ( -1.150 -0.000 0.000) 1.150 16.733 ( 14.081 0.000 0.000) 14.081 17.180 ( 17.478 0.000 0.000) 17.478 17.659 ( 35.778 0.000 0.000) 35.778 18.273 ( -1.110 -0.000 0.000) 1.110 18.958 ( -4.341 -0.000 0.000) 4.341 19.311 ( 3.427 0.000 0.000) 3.427 19.567 ( 1.269 0.000 0.000) 1.269 19.825 ( -10.587 -0.000 0.000) 10.587 20.586 ( -24.054 -0.000 0.000) 24.054 20.784 ( 3.625 0.000 0.000) 3.625 21.035 ( -7.695 -0.000 0.000) 7.695 21.063 ( -5.211 -0.000 0.000) 5.211 21.408 ( -5.360 -0.000 0.000) 5.360 21.965 ( 7.189 0.000 0.000) 7.189 22.551 ( 4.117 0.000 0.000) 4.117 22.952 ( 8.313 0.000 0.000) 8.313 23.796 ( 3.043 0.000 0.000) 3.043 24.379 ( -6.900 -0.000 0.000) 6.900 24.536 ( 6.532 0.000 0.000) 6.532 24.874 ( -19.417 -0.000 0.000) 19.417 25.551 ( -19.197 -0.000 0.000) 19.197 26.539 ( 0.590 0.000 0.000) 0.590 27.241 ( 8.300 0.000 0.000) 8.300 ======================= Grid point 47 (29/93) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -46.099 0.953 0.000) 46.109 4.308 ( -2.315 24.446 0.000) 24.556 4.843 ( -13.681 6.832 0.000) 15.292 4.967 ( -11.067 -3.099 0.000) 11.493 5.436 ( 1.312 -12.638 0.000) 12.706 5.924 ( -2.911 -1.992 0.000) 3.527 5.982 ( -5.679 -5.421 0.000) 7.851 6.293 ( 5.860 21.552 0.000) 22.334 6.584 ( 6.802 3.016 0.000) 7.441 6.791 ( -8.660 3.121 0.000) 9.205 6.933 ( -2.437 -3.618 0.000) 4.362 7.478 ( -7.759 8.536 0.000) 11.535 7.746 ( 10.106 -3.588 0.000) 10.724 7.999 ( -13.489 5.365 0.000) 14.517 8.206 ( 27.569 7.084 0.000) 28.465 8.680 ( 5.941 -11.010 0.000) 12.510 8.901 ( -11.278 12.229 0.000) 16.635 9.085 ( 9.912 -12.338 0.000) 15.826 9.469 ( -8.256 -25.016 0.000) 26.343 9.833 ( -24.276 2.198 0.000) 24.375 10.250 ( -7.151 2.428 0.000) 7.552 10.807 ( -21.194 -13.054 0.000) 24.892 11.476 ( 6.673 -6.761 0.000) 9.499 13.558 ( 9.407 10.370 0.000) 14.001 13.660 ( 10.661 -1.900 0.000) 10.829 14.012 ( 1.540 6.250 0.000) 6.437 14.504 ( 6.099 -3.879 0.000) 7.228 14.768 ( 1.622 -2.608 0.000) 3.071 15.660 ( 2.158 0.589 0.000) 2.237 15.872 ( 11.523 5.146 0.000) 12.620 16.060 ( -5.969 -10.324 0.000) 11.926 16.832 ( 1.690 3.711 0.000) 4.078 17.445 ( 13.734 4.933 0.000) 14.593 18.171 ( 9.409 0.919 0.000) 9.454 18.362 ( 23.929 2.903 0.000) 24.104 18.889 ( -3.122 0.079 0.000) 3.123 19.362 ( 1.869 -0.126 0.000) 1.873 19.587 ( 0.364 0.115 0.000) 0.381 19.660 ( -6.996 1.690 0.000) 7.197 20.164 ( -23.231 -3.300 0.000) 23.464 20.841 ( 2.909 0.116 0.000) 2.911 20.918 ( -5.862 -0.707 0.000) 5.905 20.976 ( -4.488 0.452 0.000) 4.511 21.318 ( -2.884 2.642 0.000) 3.911 22.064 ( 4.424 0.388 0.000) 4.441 22.621 ( 2.349 -1.672 0.000) 2.883 23.093 ( 8.430 2.883 0.000) 8.909 23.856 ( 3.062 -0.982 0.000) 3.216 24.278 ( -1.471 3.344 0.000) 3.654 24.559 ( -16.394 -1.322 0.000) 16.447 24.663 ( 4.593 -1.857 0.000) 4.954 25.256 ( -14.901 -3.757 0.000) 15.367 26.553 ( 1.255 0.740 0.000) 1.457 27.373 ( 4.904 -2.438 0.000) 5.477 ======================= Grid point 48 (30/93) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 0.000 1.791 0.000) 1.791 3.963 ( 0.000 28.219 0.000) 28.219 4.600 ( 0.000 8.917 0.000) 8.917 4.837 ( 0.000 8.873 0.000) 8.873 5.742 ( -0.000 -26.718 0.000) 26.718 5.748 ( 0.000 5.123 0.000) 5.123 6.034 ( 0.000 30.411 0.000) 30.411 6.149 ( -0.000 -4.252 0.000) 4.252 6.574 ( 0.000 2.149 0.000) 2.149 6.582 ( 0.000 6.836 0.000) 6.836 6.927 ( 0.000 10.911 0.000) 10.911 7.406 ( 0.000 2.351 0.000) 2.351 7.528 ( 0.000 3.418 0.000) 3.418 8.015 ( 0.000 10.178 0.000) 10.178 8.223 ( 0.000 16.174 0.000) 16.174 8.871 ( -0.000 -17.371 0.000) 17.371 9.097 ( -0.000 -10.406 0.000) 10.406 9.196 ( -0.000 -10.112 0.000) 10.112 9.605 ( -0.000 -11.620 0.000) 11.620 9.699 ( -0.000 -23.174 0.000) 23.174 10.178 ( -0.000 -2.452 0.000) 2.452 10.819 ( -0.000 -20.931 0.000) 20.931 11.633 ( -0.000 -10.600 0.000) 10.600 13.444 ( 0.000 18.434 0.000) 18.434 13.844 ( -0.000 -7.777 0.000) 7.777 13.865 ( 0.000 16.660 0.000) 16.660 14.679 ( -0.000 -11.037 0.000) 11.037 14.781 ( -0.000 -0.200 0.000) 0.200 15.693 ( -0.000 -0.541 0.000) 0.541 15.853 ( 0.000 10.970 0.000) 10.970 16.206 ( -0.000 -19.451 0.000) 19.451 16.765 ( 0.000 7.999 0.000) 7.999 17.479 ( 0.000 10.422 0.000) 10.422 18.192 ( 0.000 0.869 0.000) 0.869 18.627 ( 0.000 6.359 0.000) 6.359 18.859 ( 0.000 0.203 0.000) 0.203 19.350 ( 0.000 2.277 0.000) 2.277 19.533 ( 0.000 3.851 0.000) 3.851 19.598 ( 0.000 0.196 0.000) 0.196 20.028 ( -0.000 -10.867 0.000) 10.867 20.863 ( -0.000 -0.235 0.000) 0.235 20.885 ( -0.000 -0.370 0.000) 0.370 20.906 ( 0.000 1.869 0.000) 1.869 21.252 ( 0.000 4.246 0.000) 4.246 22.099 ( 0.000 1.030 0.000) 1.030 22.653 ( 0.000 0.352 0.000) 0.352 23.139 ( 0.000 1.723 0.000) 1.723 23.913 ( -0.000 -1.891 0.000) 1.891 24.272 ( 0.000 2.165 0.000) 2.165 24.359 ( 0.000 0.286 0.000) 0.286 24.705 ( 0.000 1.892 0.000) 1.892 25.207 ( -0.000 -10.506 0.000) 10.506 26.556 ( 0.000 1.091 0.000) 1.091 27.459 ( -0.000 -4.615 0.000) 4.615 ======================= Grid point 58 (31/93) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -0.000 -0.000 0.000) 0.000 4.497 ( -0.000 -0.000 0.000) 0.000 4.714 ( -0.000 -0.000 0.000) 0.000 4.824 ( -0.000 -0.000 0.000) 0.000 5.355 ( -0.000 -0.000 0.000) 0.000 5.808 ( -0.000 -0.000 0.000) 0.000 5.975 ( -0.000 -0.000 0.000) 0.000 6.465 ( -0.000 -0.000 0.000) 0.000 6.606 ( -0.000 -0.000 0.000) 0.000 6.704 ( -0.000 -0.000 0.000) 0.000 7.093 ( -0.000 -0.000 0.000) 0.000 7.417 ( -0.000 -0.000 0.000) 0.000 7.615 ( -0.000 -0.000 0.000) 0.000 8.206 ( -0.000 -0.000 0.000) 0.000 8.606 ( -0.000 -0.000 0.000) 0.000 8.661 ( -0.000 -0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.439 ( -0.000 -0.000 0.000) 0.000 9.493 ( -0.000 -0.000 0.000) 0.000 10.212 ( -0.000 -0.000 0.000) 0.000 10.465 ( -0.000 -0.000 0.000) 0.000 11.507 ( -0.000 -0.000 0.000) 0.000 13.708 ( -0.000 -0.000 0.000) 0.000 13.751 ( -0.000 -0.000 0.000) 0.000 14.087 ( -0.000 -0.000 0.000) 0.000 14.503 ( -0.000 -0.000 0.000) 0.000 14.781 ( -0.000 -0.000 0.000) 0.000 15.687 ( -0.000 -0.000 0.000) 0.000 15.907 ( -0.000 -0.000 0.000) 0.000 16.031 ( -0.000 -0.000 0.000) 0.000 16.859 ( -0.000 -0.000 0.000) 0.000 17.607 ( -0.000 -0.000 0.000) 0.000 18.204 ( -0.000 -0.000 0.000) 0.000 18.705 ( -0.000 -0.000 0.000) 0.000 18.860 ( -0.000 -0.000 0.000) 0.000 19.379 ( -0.000 -0.000 0.000) 0.000 19.599 ( -0.000 -0.000 0.000) 0.000 19.612 ( -0.000 -0.000 0.000) 0.000 19.866 ( -0.000 -0.000 0.000) 0.000 20.861 ( -0.000 -0.000 0.000) 0.000 20.881 ( -0.000 -0.000 0.000) 0.000 20.928 ( -0.000 -0.000 0.000) 0.000 21.309 ( -0.000 -0.000 0.000) 0.000 22.103 ( -0.000 -0.000 0.000) 0.000 22.631 ( -0.000 -0.000 0.000) 0.000 23.201 ( -0.000 -0.000 0.000) 0.000 23.876 ( -0.000 -0.000 0.000) 0.000 24.312 ( -0.000 -0.000 0.000) 0.000 24.363 ( -0.000 -0.000 0.000) 0.000 24.727 ( -0.000 -0.000 0.000) 0.000 25.069 ( -0.000 -0.000 0.000) 0.000 26.569 ( -0.000 -0.000 0.000) 0.000 27.401 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 0.000 51.062) 51.062 1.192 ( 0.000 0.000 53.536) 53.536 1.910 ( 0.000 0.000 83.768) 83.768 4.122 ( 0.000 0.000 -32.119) 32.119 4.514 ( 0.000 0.000 -39.224) 39.224 5.594 ( 0.000 0.000 -0.557) 0.557 5.719 ( 0.000 0.000 3.415) 3.415 5.987 ( 0.000 0.000 -14.154) 14.154 6.033 ( 0.000 0.000 24.659) 24.659 6.227 ( 0.000 0.000 3.102) 3.102 6.840 ( 0.000 0.000 -10.993) 10.993 7.358 ( 0.000 0.000 -23.443) 23.443 8.230 ( 0.000 0.000 3.304) 3.304 8.514 ( 0.000 0.000 26.792) 26.792 8.717 ( 0.000 0.000 21.994) 21.994 9.089 ( 0.000 0.000 -20.937) 20.937 9.877 ( 0.000 0.000 -1.591) 1.591 10.397 ( 0.000 0.000 -20.537) 20.537 10.417 ( 0.000 0.000 -7.820) 7.820 10.816 ( 0.000 0.000 5.483) 5.483 10.902 ( 0.000 0.000 -13.427) 13.427 11.274 ( 0.000 0.000 -6.917) 6.917 12.275 ( 0.000 0.000 18.007) 18.007 12.548 ( 0.000 0.000 0.065) 0.065 13.018 ( 0.000 0.000 34.545) 34.545 14.635 ( 0.000 0.000 7.579) 7.579 14.904 ( 0.000 0.000 -0.627) 0.627 14.919 ( 0.000 0.000 -9.425) 9.425 15.057 ( 0.000 0.000 -5.154) 5.154 15.504 ( 0.000 0.000 5.182) 5.182 15.640 ( 0.000 0.000 1.005) 1.005 16.157 ( 0.000 0.000 -21.536) 21.536 17.893 ( 0.000 0.000 4.275) 4.275 18.206 ( 0.000 0.000 4.519) 4.519 18.565 ( 0.000 0.000 -7.627) 7.627 18.635 ( 0.000 0.000 -4.660) 4.660 19.263 ( 0.000 0.000 2.692) 2.692 19.464 ( 0.000 0.000 -1.742) 1.742 20.221 ( 0.000 0.000 2.115) 2.115 20.299 ( 0.000 0.000 1.814) 1.814 20.748 ( 0.000 0.000 1.598) 1.598 20.874 ( 0.000 0.000 -0.933) 0.933 20.893 ( 0.000 0.000 0.444) 0.444 20.935 ( 0.000 0.000 -0.415) 0.415 22.020 ( 0.000 0.000 1.501) 1.501 22.051 ( 0.000 0.000 -0.092) 0.092 22.673 ( 0.000 0.000 12.569) 12.569 24.024 ( 0.000 0.000 -16.119) 16.119 24.382 ( 0.000 0.000 0.350) 0.350 24.422 ( 0.000 0.000 -0.492) 0.492 25.834 ( 0.000 0.000 6.167) 6.167 26.070 ( 0.000 0.000 -0.455) 0.455 26.891 ( 0.000 0.000 2.515) 2.515 27.186 ( 0.000 0.000 -3.324) 3.324 ======================= Grid point 106 (33/93) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 26.153 -6.813 39.797) 48.106 1.678 ( 30.032 -19.531 39.905) 53.627 2.710 ( 61.182 -25.910 54.182) 85.733 4.325 ( 17.406 4.075 -31.497) 36.216 4.471 ( 2.501 -1.797 -34.673) 34.810 5.578 ( -0.983 3.949 9.397) 10.240 5.659 ( -8.463 0.596 -2.910) 8.969 5.833 ( -3.093 -5.247 -0.949) 6.164 6.068 ( 4.676 -2.971 12.948) 14.083 6.623 ( 28.267 -2.756 -0.007) 28.401 6.880 ( 2.891 -0.948 -7.092) 7.717 7.391 ( 2.470 -0.133 -17.705) 17.877 8.140 ( 1.157 7.848 2.555) 8.334 8.409 ( -0.573 12.878 19.341) 23.244 8.753 ( -6.054 -8.351 12.017) 15.837 9.117 ( 4.888 0.556 -12.047) 13.013 9.835 ( 2.221 8.242 -5.467) 10.137 10.096 ( -15.215 6.755 -10.001) 19.420 10.518 ( 3.228 3.068 -3.114) 5.434 10.710 ( -11.665 -5.586 -9.945) 16.315 10.901 ( -3.911 0.061 -4.480) 5.947 11.337 ( -8.890 -12.157 -10.498) 18.359 12.221 ( -1.807 8.629 17.893) 19.947 12.459 ( -0.336 -0.332 5.479) 5.500 13.059 ( -1.620 -9.628 33.830) 35.210 14.594 ( -4.189 1.172 4.716) 6.416 14.803 ( -4.179 7.582 -3.927) 9.506 15.031 ( 6.281 2.525 -4.710) 8.247 15.131 ( 5.696 -3.600 -6.095) 9.086 15.573 ( 2.073 -5.051 0.312) 5.469 15.630 ( -3.544 -3.776 -3.568) 6.289 16.165 ( -1.857 -3.504 -17.760) 18.197 17.575 ( -26.000 2.819 4.771) 26.584 18.063 ( -26.088 3.056 -3.827) 26.544 18.324 ( -6.245 2.684 3.562) 7.674 18.821 ( 12.468 1.099 -8.096) 14.906 19.269 ( 0.291 -0.511 2.398) 2.469 19.601 ( 9.617 1.765 -3.245) 10.302 20.138 ( 4.587 14.591 16.280) 22.337 20.365 ( 5.720 -5.333 1.088) 7.896 20.687 ( 1.076 2.639 5.434) 6.136 20.866 ( 0.913 -7.259 0.901) 7.371 20.981 ( 5.264 0.281 -0.177) 5.275 21.018 ( 4.345 -1.307 0.148) 4.540 21.949 ( 6.033 9.238 3.448) 11.560 22.239 ( -0.316 -7.810 -4.533) 9.035 22.807 ( 0.784 -18.866 -3.744) 19.250 23.798 ( -14.465 4.740 -11.868) 19.302 24.324 ( -6.372 -0.415 9.969) 11.839 24.575 ( 15.575 1.143 -3.671) 16.042 25.717 ( 2.459 15.877 8.339) 18.102 26.082 ( 3.146 4.221 -3.025) 6.072 26.677 ( 3.783 18.227 11.599) 21.933 27.409 ( -4.226 -15.076 -14.168) 21.116 ======================= Grid point 107 (34/93) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 32.890 -14.768 22.073) 42.274 2.455 ( 28.711 -25.236 28.568) 47.721 4.132 ( 52.700 -8.671 10.926) 54.514 4.403 ( 18.674 -9.665 -9.351) 23.012 4.841 ( 17.077 -5.548 -29.903) 34.879 5.518 ( 7.031 2.524 8.114) 11.029 5.618 ( -1.967 -3.730 0.705) 4.275 5.907 ( 5.277 -8.572 2.554) 10.385 6.259 ( 7.302 -5.934 -0.918) 9.454 6.859 ( 0.042 0.635 -3.004) 3.071 7.193 ( 27.316 0.389 9.223) 28.834 7.435 ( 1.708 -2.548 -1.015) 3.232 8.119 ( 5.107 12.039 6.207) 14.475 8.287 ( 8.308 11.716 -0.245) 14.365 8.680 ( -9.939 -5.422 -1.535) 11.425 9.249 ( 14.248 8.053 -1.155) 16.407 9.633 ( -10.163 11.857 -14.989) 21.646 9.885 ( -1.944 4.781 -4.944) 7.147 10.488 ( -5.275 0.281 -0.122) 5.284 10.589 ( -2.756 2.303 -9.115) 9.797 10.773 ( -11.941 -5.056 -5.243) 13.987 11.192 ( -15.633 -2.605 -6.398) 17.091 12.044 ( -5.664 9.402 15.987) 19.392 12.557 ( 6.920 -1.616 -0.591) 7.131 13.204 ( 2.130 -14.424 33.236) 36.293 14.451 ( -7.992 7.699 -3.174) 11.542 14.622 ( -6.540 5.899 1.257) 8.897 14.959 ( -3.396 9.014 1.664) 9.775 15.311 ( 2.430 -5.063 -8.112) 9.866 15.500 ( -4.976 -1.140 -5.433) 7.455 15.780 ( 4.311 -9.500 -2.767) 10.793 16.170 ( -5.306 -8.412 -12.077) 15.645 17.072 ( -27.709 -0.272 3.342) 27.911 17.388 ( -39.191 4.152 -3.344) 39.552 18.308 ( 2.080 0.860 6.375) 6.761 18.954 ( 5.551 1.602 -7.555) 9.511 19.275 ( -0.483 -0.563 1.823) 1.968 19.666 ( 2.109 3.684 -3.385) 5.429 20.123 ( 8.300 8.230 17.258) 20.844 20.567 ( 9.994 -1.824 -1.018) 10.210 20.717 ( 3.048 -0.544 4.948) 5.837 20.984 ( 4.603 -3.867 0.490) 6.031 21.084 ( 4.923 -1.729 0.749) 5.271 21.142 ( 7.004 -3.190 -0.362) 7.705 21.930 ( 0.969 6.880 3.963) 7.999 22.278 ( -1.099 -4.981 -1.361) 5.279 23.021 ( 2.074 -8.485 -7.337) 11.408 23.568 ( -6.121 -1.248 -11.525) 13.109 24.266 ( -1.439 -0.578 12.134) 12.233 24.804 ( 12.086 2.292 -5.970) 13.674 25.591 ( 2.336 12.583 7.384) 14.775 26.077 ( 3.089 5.644 -5.478) 8.450 26.588 ( 2.112 7.564 10.340) 12.985 27.382 ( -9.066 -3.429 -10.240) 14.100 ======================= Grid point 108 (35/93) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 25.118 -14.615 17.640) 33.996 3.237 ( 29.352 -20.177 16.072) 39.077 4.405 ( 9.365 -4.851 -16.814) 19.848 4.882 ( 1.020 0.249 -12.255) 12.300 5.339 ( 7.610 -4.697 -0.975) 8.995 5.744 ( 13.779 -4.013 1.115) 14.395 5.826 ( 24.037 -7.362 -5.517) 25.737 6.277 ( 21.199 -3.569 -9.522) 23.512 6.448 ( 11.096 -14.037 8.791) 19.936 6.893 ( 4.684 -7.051 4.624) 9.646 7.405 ( 1.723 -0.761 26.907) 26.973 7.638 ( 14.598 2.928 -5.953) 16.035 8.013 ( 3.670 10.447 8.301) 13.839 8.415 ( 12.680 9.503 -5.346) 16.724 8.619 ( 0.656 -4.154 -1.575) 4.491 9.230 ( -6.838 9.842 -3.281) 12.425 9.488 ( 13.510 14.489 1.268) 19.850 9.806 ( 1.229 8.967 -11.440) 14.588 10.293 ( -5.709 10.155 -3.425) 12.143 10.592 ( -4.256 -2.811 3.577) 6.230 10.702 ( -5.912 -14.448 -15.774) 22.192 10.954 ( -10.598 -2.223 -7.465) 13.152 11.797 ( -9.226 11.442 15.342) 21.247 12.671 ( 4.147 -0.891 -7.573) 8.680 13.416 ( 0.707 -10.619 24.191) 26.429 14.110 ( -14.667 11.630 -2.430) 18.875 14.450 ( -6.131 4.611 -0.067) 7.672 14.813 ( -3.550 3.382 5.656) 7.486 15.179 ( -15.559 -1.070 -0.333) 15.599 15.534 ( 1.183 0.701 -12.061) 12.139 15.943 ( 4.016 -5.694 -4.425) 8.254 16.171 ( -6.757 -8.114 -1.959) 10.739 16.693 ( -18.235 -4.280 1.760) 18.813 16.739 ( -29.742 -1.341 -2.445) 29.873 18.337 ( 2.140 0.800 6.019) 6.438 19.007 ( 2.909 1.047 -7.776) 8.368 19.264 ( -1.245 -0.286 1.954) 2.335 19.620 ( -1.730 3.382 -3.279) 5.018 20.201 ( 8.444 4.470 13.740) 16.735 20.657 ( 1.679 1.955 1.818) 3.153 20.845 ( 7.934 -2.632 -1.027) 8.422 21.114 ( 6.103 -1.919 0.284) 6.403 21.169 ( 2.740 -0.983 -0.312) 2.928 21.311 ( 6.548 -4.613 -0.067) 8.010 21.822 ( -3.141 6.502 5.466) 9.056 22.314 ( -1.032 -1.996 -4.294) 4.847 23.054 ( -0.992 -0.620 1.664) 2.034 23.652 ( 5.413 -9.120 -12.019) 16.029 24.272 ( 1.043 -0.547 9.864) 9.934 24.894 ( 1.895 5.064 -7.101) 8.925 25.540 ( 5.774 6.150 6.870) 10.880 26.064 ( 2.660 4.896 -5.918) 8.128 26.554 ( 1.730 4.314 8.343) 9.550 27.223 ( -10.164 0.681 -7.070) 12.400 ======================= Grid point 109 (36/93) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 15.205 -12.308 15.702) 25.085 3.845 ( 18.630 -6.991 9.031) 21.852 4.700 ( 12.163 -11.049 -12.276) 20.511 4.877 ( 1.742 1.330 -8.060) 8.353 5.314 ( -6.488 -3.012 -6.021) 9.350 5.767 ( -9.652 2.498 -10.936) 14.799 6.088 ( 8.676 5.544 -0.726) 10.321 6.570 ( 7.439 -4.147 -5.187) 9.972 6.872 ( 7.706 -16.572 4.792) 18.894 7.288 ( 15.351 -3.212 2.342) 15.858 7.446 ( 1.066 1.379 24.584) 24.646 7.736 ( 10.276 4.961 -8.034) 13.956 8.121 ( 19.886 4.200 11.452) 23.329 8.487 ( 5.899 -3.045 -5.311) 8.502 8.807 ( 5.216 -7.654 2.184) 9.517 9.032 ( 0.372 7.804 3.558) 8.585 9.341 ( -12.761 15.134 -0.577) 19.804 9.863 ( 15.881 6.922 -5.601) 18.207 10.176 ( 1.441 0.962 -2.933) 3.407 10.488 ( -6.803 -2.719 0.149) 7.327 10.724 ( -4.097 -3.795 3.422) 6.550 10.994 ( 0.377 -0.620 -15.828) 15.844 11.485 ( -7.302 8.734 13.404) 17.587 12.746 ( 3.235 -2.010 -15.169) 15.639 13.271 ( -15.718 4.739 -2.731) 16.643 13.838 ( -12.175 2.680 -5.481) 13.618 14.397 ( 7.837 0.346 14.314) 16.322 14.752 ( -4.893 -4.021 6.730) 9.242 14.923 ( -10.867 3.072 6.958) 13.265 15.433 ( -9.194 2.099 -8.201) 12.497 16.006 ( -2.002 -1.389 -1.271) 2.749 16.132 ( -2.246 -0.671 5.726) 6.187 16.444 ( -6.166 -2.971 -6.995) 9.786 16.556 ( -9.531 -8.273 -2.403) 12.848 18.358 ( 1.202 0.619 5.362) 5.530 19.039 ( 1.692 0.325 -9.697) 9.849 19.242 ( -1.190 0.112 3.395) 3.599 19.553 ( -1.867 1.868 -2.923) 3.940 20.290 ( 5.626 2.118 11.653) 13.112 20.647 ( -0.519 0.504 1.907) 2.040 20.990 ( 5.796 -1.225 -3.889) 7.086 21.166 ( -0.144 1.255 -4.777) 4.941 21.264 ( 5.762 -1.880 3.458) 6.978 21.437 ( 1.412 -2.617 0.572) 3.027 21.724 ( -0.334 2.563 6.114) 6.638 22.269 ( -3.258 2.022 -8.433) 9.264 23.071 ( 0.823 -2.004 8.840) 9.101 23.859 ( 5.694 -7.098 -9.221) 12.955 24.310 ( 2.105 -1.287 6.094) 6.574 24.773 ( -4.751 7.835 -4.415) 10.171 25.631 ( 6.402 -0.469 3.629) 7.373 26.056 ( 1.705 2.963 -5.127) 6.162 26.545 ( 2.259 3.162 5.959) 7.114 27.044 ( -8.206 1.109 -4.672) 9.507 ======================= Grid point 110 (37/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 0.000 -0.000 12.005) 12.005 4.019 ( 0.000 -0.000 10.937) 10.937 4.905 ( 0.000 0.000 -9.327) 9.327 4.918 ( -0.000 -0.000 -8.384) 8.384 5.310 ( -0.000 0.000 -8.357) 8.357 5.560 ( 0.000 -0.000 -14.923) 14.923 6.127 ( 0.000 -0.000 5.788) 5.788 6.663 ( 0.000 -0.000 -3.788) 3.788 7.124 ( 0.000 0.000 2.957) 2.957 7.205 ( 0.000 -0.000 16.500) 16.500 7.501 ( 0.000 -0.000 0.778) 0.778 7.822 ( 0.000 -0.000 0.360) 0.360 8.369 ( 0.000 -0.000 -11.710) 11.710 8.729 ( 0.000 -0.000 11.986) 11.986 8.857 ( 0.000 -0.000 -4.552) 4.552 8.935 ( -0.000 0.000 4.840) 4.840 9.047 ( 0.000 -0.000 9.002) 9.002 9.987 ( 0.000 -0.000 -9.858) 9.858 10.348 ( 0.000 0.000 -4.097) 4.097 10.423 ( 0.000 -0.000 -0.888) 0.888 10.713 ( 0.000 0.000 6.249) 6.249 10.776 ( -0.000 -0.000 8.127) 8.127 11.460 ( 0.000 -0.000 2.242) 2.242 12.783 ( 0.000 -0.000 -11.169) 11.169 13.110 ( 0.000 -0.000 -20.629) 20.629 13.635 ( 0.000 -0.000 -14.623) 14.623 14.624 ( -0.000 0.000 23.723) 23.723 14.634 ( 0.000 -0.000 14.599) 14.599 14.805 ( 0.000 -0.000 3.616) 3.616 15.306 ( 0.000 -0.000 -4.016) 4.016 15.988 ( 0.000 -0.000 0.822) 0.822 16.110 ( 0.000 -0.000 1.850) 1.850 16.455 ( 0.000 -0.000 -3.483) 3.483 16.510 ( 0.000 0.000 -6.662) 6.662 18.365 ( 0.000 0.000 5.020) 5.020 19.053 ( 0.000 -0.000 -11.288) 11.288 19.229 ( 0.000 -0.000 4.727) 4.727 19.525 ( 0.000 -0.000 -2.688) 2.688 20.329 ( 0.000 -0.000 11.210) 11.210 20.639 ( 0.000 -0.000 1.459) 1.459 21.060 ( 0.000 -0.000 -4.002) 4.002 21.141 ( 0.000 -0.000 -5.905) 5.905 21.348 ( 0.000 -0.000 2.013) 2.013 21.431 ( 0.000 -0.000 4.185) 4.185 21.730 ( 0.000 -0.000 4.587) 4.587 22.214 ( 0.000 -0.000 -9.996) 9.996 23.096 ( 0.000 -0.000 11.039) 11.039 23.961 ( 0.000 -0.000 -7.076) 7.076 24.352 ( 0.000 -0.000 2.852) 2.852 24.654 ( 0.000 0.000 -2.213) 2.213 25.701 ( 0.000 -0.000 2.094) 2.094 26.053 ( 0.000 -0.000 -4.685) 4.685 26.550 ( 0.000 -0.000 4.700) 4.700 26.956 ( 0.000 -0.000 -3.477) 3.477 ======================= Grid point 117 (38/93) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 37.517 0.000 28.013) 46.821 2.107 ( 36.832 0.000 30.606) 47.889 3.923 ( 81.563 0.000 34.271) 88.470 4.378 ( -2.152 -0.000 -28.866) 28.946 4.757 ( 15.327 0.000 -34.227) 37.502 5.566 ( 2.242 0.000 0.740) 2.361 5.591 ( -2.885 -0.000 15.342) 15.611 5.777 ( 5.756 0.000 -0.782) 5.809 6.198 ( 8.955 0.000 4.603) 10.069 6.856 ( 1.891 0.000 1.849) 2.645 7.208 ( 30.178 0.000 6.241) 30.816 7.393 ( -0.918 -0.000 -5.933) 6.003 8.295 ( 9.696 0.000 3.657) 10.362 8.512 ( -14.692 -0.000 -2.185) 14.854 8.522 ( 5.635 0.000 3.447) 6.606 9.292 ( 17.468 0.000 -15.688) 23.479 9.863 ( -13.667 -0.000 -10.843) 17.445 9.955 ( -0.469 -0.000 -4.916) 4.938 10.394 ( -10.803 -0.000 7.591) 13.204 10.566 ( -2.015 -0.000 -13.721) 13.869 10.802 ( -9.206 -0.000 -4.159) 10.102 11.088 ( -14.269 -0.000 -5.200) 15.187 12.315 ( 0.467 0.000 17.295) 17.301 12.422 ( 0.727 0.000 6.731) 6.770 13.003 ( 3.421 0.000 33.033) 33.209 14.548 ( -3.105 -0.000 2.497) 3.984 14.742 ( -8.840 -0.000 -8.300) 12.126 15.124 ( -5.670 -0.000 -0.543) 5.696 15.186 ( 5.157 0.000 -2.007) 5.533 15.504 ( -0.640 -0.000 -14.331) 14.345 15.617 ( 4.473 0.000 1.591) 4.747 16.072 ( -6.862 -0.000 -13.536) 15.176 17.075 ( -30.147 -0.000 3.964) 30.406 17.438 ( -42.098 -0.000 -3.602) 42.252 18.320 ( 1.713 0.000 6.509) 6.731 18.975 ( 4.754 0.000 -7.830) 9.160 19.270 ( -0.088 -0.000 2.338) 2.340 19.715 ( 1.511 0.000 -3.496) 3.808 20.274 ( 2.957 0.000 14.250) 14.553 20.526 ( 14.778 0.000 -0.150) 14.779 20.791 ( 2.425 0.000 9.355) 9.664 20.846 ( 6.398 0.000 2.715) 6.950 21.074 ( 4.595 0.000 -0.021) 4.595 21.090 ( 6.241 0.000 -0.355) 6.252 22.044 ( -0.384 -0.000 0.851) 0.934 22.197 ( -0.724 -0.000 -0.954) 1.198 22.871 ( 15.350 0.000 -8.715) 17.652 23.561 ( -14.133 -0.000 -10.176) 17.415 24.254 ( -1.641 -0.000 13.157) 13.259 24.840 ( 12.292 0.000 -8.061) 14.699 25.771 ( -2.593 -0.000 9.683) 10.024 26.095 ( -1.193 -0.000 1.038) 1.581 26.798 ( -4.039 -0.000 1.480) 4.301 27.281 ( -1.522 -0.000 -12.441) 12.534 ======================= Grid point 118 (39/93) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 38.472 1.042 18.558) 42.726 2.859 ( 40.218 -10.954 15.453) 44.455 4.375 ( 5.189 0.419 -21.238) 21.866 4.846 ( -1.369 -2.214 -24.800) 24.936 5.205 ( 34.092 -5.573 14.812) 37.586 5.595 ( -0.373 -4.425 -3.989) 5.969 5.696 ( 33.029 -2.733 18.628) 38.019 6.136 ( 25.982 -4.342 -0.645) 26.350 6.316 ( 4.060 -1.319 -2.024) 4.724 6.841 ( -1.894 0.734 8.928) 9.156 7.388 ( 0.442 -0.475 10.044) 10.065 7.654 ( 16.979 -0.834 8.737) 19.113 8.188 ( -9.596 5.699 -4.815) 12.155 8.463 ( 0.170 -5.679 -3.071) 6.459 8.700 ( 18.333 8.339 -5.105) 20.777 9.524 ( -5.291 11.133 -7.007) 14.179 9.754 ( 19.610 6.236 -8.559) 22.287 9.845 ( -3.617 -1.255 -9.361) 10.113 10.301 ( -11.219 -7.486 2.177) 13.661 10.530 ( -3.363 -1.804 -20.251) 20.608 10.618 ( -5.011 4.840 3.088) 7.620 10.814 ( -19.387 -6.980 -5.047) 21.214 12.130 ( -4.702 16.705 18.359) 25.263 12.551 ( 0.208 -11.359 2.856) 11.714 13.177 ( 10.685 -6.189 29.017) 31.536 14.411 ( -11.800 11.106 -6.095) 17.313 14.531 ( -9.305 1.533 -0.841) 9.468 14.852 ( -18.123 -0.629 2.019) 18.246 15.249 ( 1.704 4.024 -1.447) 4.604 15.560 ( 3.319 4.017 -11.641) 12.754 15.751 ( 3.433 -9.518 -6.492) 12.022 15.957 ( -8.940 -7.766 -7.488) 14.011 16.633 ( -19.052 -0.236 3.184) 19.318 16.747 ( -32.830 0.326 0.288) 32.833 18.354 ( 2.256 0.494 6.343) 6.751 19.021 ( 1.488 0.272 -7.351) 7.505 19.259 ( -1.167 -0.127 1.991) 2.311 19.684 ( -3.021 1.521 -3.144) 4.618 20.326 ( 6.285 4.308 13.301) 15.329 20.740 ( 4.659 4.559 3.440) 7.370 20.799 ( 7.608 -0.754 2.341) 7.995 21.027 ( 7.493 -5.337 4.944) 10.444 21.156 ( 4.676 0.851 -1.258) 4.916 21.215 ( 5.695 -3.446 -0.100) 6.658 21.988 ( -2.226 6.109 2.392) 6.928 22.217 ( 0.300 -5.107 -0.476) 5.138 23.103 ( 7.072 4.847 -8.832) 12.309 23.412 ( -3.733 -9.712 -10.695) 14.922 24.252 ( 0.570 -0.760 11.772) 11.811 24.970 ( 3.420 1.666 -10.392) 11.067 25.702 ( -0.076 5.664 11.304) 12.644 26.086 ( -1.075 -1.734 1.463) 2.510 26.702 ( -0.804 5.717 1.360) 5.931 27.219 ( -7.177 -0.651 -9.728) 12.107 ======================= Grid point 119 (40/93) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 29.733 4.694 14.572) 33.443 3.678 ( 37.759 -8.419 6.614) 39.247 4.552 ( 13.328 -2.283 -13.738) 19.276 4.853 ( -0.258 -3.487 -19.852) 20.158 5.290 ( -4.151 2.078 6.836) 8.263 5.687 ( 0.299 -8.927 -6.349) 10.959 6.185 ( 0.303 0.695 0.330) 0.827 6.492 ( 3.448 -3.562 0.282) 4.965 6.636 ( 17.871 1.053 0.533) 17.910 7.068 ( 32.182 -12.845 9.884) 36.033 7.409 ( 1.596 -1.075 23.462) 23.541 7.757 ( -3.762 -5.611 -1.460) 6.912 8.164 ( 10.537 1.745 5.568) 12.045 8.468 ( -4.447 -2.656 -10.536) 11.740 8.828 ( 7.396 11.555 -2.649) 13.972 9.298 ( -0.413 12.259 7.222) 14.234 9.651 ( -10.248 9.826 -3.456) 14.612 9.979 ( -0.009 0.041 -4.418) 4.418 10.097 ( -14.022 -3.287 -1.847) 14.520 10.478 ( -4.560 2.173 -3.587) 6.196 10.658 ( 2.546 -3.026 -1.005) 4.080 10.810 ( 15.041 -12.548 -24.846) 31.638 11.805 ( -10.137 17.333 17.605) 26.704 12.659 ( -0.242 -8.689 -5.321) 10.192 13.364 ( 0.608 3.384 14.028) 14.443 13.967 ( -16.017 8.514 -3.024) 18.390 14.372 ( -7.084 0.687 2.828) 7.659 14.641 ( -10.348 -5.408 6.709) 13.466 15.164 ( 1.922 12.976 -2.834) 13.421 15.442 ( -10.610 0.194 -9.345) 14.140 15.875 ( -4.157 -9.926 -3.849) 11.429 15.974 ( -5.419 -12.015 0.603) 13.195 16.367 ( -5.351 1.947 -0.738) 5.742 16.509 ( 0.703 -0.832 -0.308) 1.132 18.379 ( 1.317 0.922 5.773) 5.992 19.033 ( -0.188 -0.524 -8.372) 8.390 19.240 ( -1.107 -0.231 2.255) 2.523 19.602 ( -3.528 1.731 -2.975) 4.929 20.381 ( 5.591 4.760 12.309) 14.333 20.689 ( -1.538 3.075 5.580) 6.555 20.969 ( 7.462 -0.607 -4.300) 8.634 21.179 ( 2.102 -1.256 1.493) 2.868 21.222 ( 6.324 -0.421 0.236) 6.342 21.353 ( 4.406 -4.009 1.458) 6.132 21.853 ( -2.892 7.398 3.877) 8.839 22.281 ( 0.129 -2.629 -4.130) 4.897 23.044 ( -2.507 2.331 0.626) 3.480 23.611 ( 5.147 -12.960 -12.133) 18.484 24.284 ( 1.595 -1.140 8.753) 8.970 24.918 ( -5.100 3.894 -8.547) 10.688 25.666 ( 2.119 3.610 9.073) 9.992 26.091 ( -0.235 -0.681 0.851) 1.115 26.653 ( 2.013 5.004 0.692) 5.438 27.063 ( -9.632 0.731 -6.461) 11.621 ======================= Grid point 120 (41/93) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( 19.565 6.371 11.864) 23.751 4.204 ( 19.551 10.218 5.094) 22.641 4.793 ( 5.279 -3.517 -14.527) 15.852 4.979 ( 11.041 -4.486 -10.765) 16.060 5.202 ( -0.731 1.622 -1.741) 2.490 5.692 ( -2.923 4.280 -8.829) 10.238 6.146 ( -3.951 0.625 3.726) 5.466 6.511 ( -0.822 -9.949 3.321) 10.521 6.853 ( 5.429 -8.573 3.430) 10.711 7.332 ( -7.609 -3.467 0.851) 8.405 7.488 ( -1.172 2.402 14.502) 14.746 7.835 ( 0.831 -5.779 -2.817) 6.482 8.374 ( -11.407 -0.504 -11.497) 16.203 8.543 ( 18.520 -9.221 7.497) 22.005 8.733 ( -2.169 3.035 5.873) 6.958 9.125 ( -6.145 8.295 5.384) 11.643 9.248 ( -15.421 10.869 4.971) 19.510 9.970 ( 3.059 -0.934 -11.632) 12.064 10.111 ( 2.488 -10.553 0.678) 10.864 10.351 ( -12.886 -2.884 -2.199) 13.387 10.726 ( 2.969 -2.037 5.059) 6.209 11.147 ( 3.987 9.093 -11.281) 15.028 11.430 ( -4.246 9.109 11.943) 15.608 12.765 ( 2.160 -4.792 -12.295) 13.371 13.168 ( -1.901 7.838 -9.808) 12.699 13.704 ( -8.370 3.902 -12.648) 15.660 14.383 ( -3.540 -8.225 17.571) 19.722 14.620 ( 4.796 -5.056 12.819) 14.591 15.055 ( 2.736 12.406 1.153) 12.756 15.311 ( -1.278 1.602 -2.926) 3.573 15.882 ( -5.399 -9.774 0.352) 11.172 16.026 ( -0.511 -6.198 3.532) 7.152 16.376 ( 5.213 1.387 -6.969) 8.813 16.630 ( 11.452 2.759 -2.466) 12.035 18.377 ( -0.163 0.945 5.121) 5.210 19.028 ( -1.833 -1.689 -10.137) 10.439 19.230 ( -0.076 0.043 3.573) 3.574 19.540 ( -1.489 0.903 -2.768) 3.270 20.383 ( 0.085 4.206 12.129) 12.838 20.650 ( 0.147 0.898 2.889) 3.028 21.060 ( 2.421 -0.103 -4.033) 4.705 21.162 ( -1.714 1.740 -4.376) 5.011 21.339 ( 3.690 -0.646 1.603) 4.075 21.425 ( 0.561 -0.981 3.136) 3.334 21.761 ( 0.069 3.194 4.804) 5.769 22.267 ( -0.278 3.091 -8.954) 9.476 23.024 ( -1.819 -4.429 8.446) 9.709 23.817 ( 1.823 -10.732 -9.442) 14.410 24.327 ( 1.696 -1.041 4.750) 5.150 24.745 ( -7.110 4.983 -4.535) 9.795 25.668 ( -1.127 -1.035 5.232) 5.451 26.086 ( -0.525 1.014 -0.763) 1.373 26.614 ( -1.216 5.129 0.649) 5.311 26.934 ( -3.298 -1.687 -3.801) 5.308 ======================= Grid point 121 (42/93) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 1.525 15.243 8.340) 17.442 4.152 ( 0.445 21.593 11.687) 24.557 4.846 ( -0.104 -0.633 -9.951) 9.972 5.020 ( -4.181 13.731 -10.542) 17.809 5.285 ( 4.969 -6.411 -8.742) 11.925 5.712 ( 10.947 1.287 -10.747) 15.395 6.014 ( -10.408 -1.085 4.566) 11.417 6.605 ( -4.481 -2.463 -1.922) 5.463 7.043 ( 0.537 -9.726 8.450) 12.896 7.239 ( -12.045 -9.694 2.815) 15.716 7.360 ( -0.335 4.048 3.018) 5.060 7.746 ( -16.322 6.606 0.615) 17.619 8.045 ( -16.446 -1.230 4.424) 17.075 8.500 ( -19.491 -4.577 7.239) 21.290 8.802 ( -4.641 -9.605 1.404) 10.760 8.991 ( 2.011 3.494 -3.664) 5.448 9.178 ( 5.889 1.143 1.967) 6.313 9.771 ( -32.420 0.135 1.236) 32.444 10.091 ( -4.061 -2.795 -5.790) 7.604 10.455 ( 4.614 -10.109 0.308) 11.117 10.778 ( 5.959 2.347 1.687) 6.623 10.994 ( 5.940 1.985 -0.179) 6.265 11.423 ( 2.459 4.044 8.494) 9.724 12.813 ( -1.998 1.562 -20.665) 20.820 13.187 ( 11.758 0.592 -11.576) 16.511 13.779 ( 14.320 -5.741 -12.877) 20.096 14.281 ( -13.337 -4.366 20.576) 24.906 14.852 ( 8.863 0.361 9.062) 12.680 15.013 ( 10.479 7.806 8.872) 15.794 15.373 ( 8.352 0.023 -2.762) 8.797 15.948 ( 2.295 -5.430 -2.121) 6.265 16.118 ( 6.117 -2.189 5.943) 8.805 16.478 ( 10.280 3.264 -8.814) 13.928 16.781 ( 12.007 6.939 -2.057) 14.019 18.355 ( -1.322 0.397 4.944) 5.133 19.007 ( -3.368 -2.272 -10.296) 11.069 19.240 ( 1.381 0.096 4.037) 4.268 19.531 ( 0.747 -0.227 -2.882) 2.986 20.290 ( -6.056 1.934 11.598) 13.226 20.658 ( 1.305 1.141 1.574) 2.341 21.020 ( -5.630 1.270 -2.937) 6.476 21.142 ( 0.347 -0.455 -5.367) 5.398 21.304 ( -5.098 1.628 2.244) 5.803 21.457 ( 0.737 -0.377 0.122) 0.837 21.741 ( 0.647 2.707 6.233) 6.826 22.258 ( 3.580 1.877 -9.867) 10.663 23.049 ( -1.798 -4.196 11.066) 11.971 23.894 ( -3.837 -4.443 -7.326) 9.388 24.340 ( -1.630 0.781 2.644) 3.203 24.640 ( -0.390 -1.832 -2.406) 3.049 25.616 ( -7.955 -2.460 2.965) 8.839 26.028 ( -4.994 0.971 -4.651) 6.893 26.522 ( -2.725 1.273 5.487) 6.257 27.001 ( 6.509 -2.651 -4.317) 8.248 ======================= Grid point 122 (43/93) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -13.750 25.245 8.020) 29.845 3.773 ( -11.921 26.348 17.589) 33.848 4.621 ( -15.618 10.752 -14.050) 23.599 4.900 ( 2.693 5.608 -4.793) 7.854 5.412 ( -0.435 0.354 -7.371) 7.392 5.686 ( -16.915 -6.969 -3.895) 18.705 5.988 ( 4.966 5.673 -9.488) 12.119 6.315 ( -22.780 1.812 -9.697) 24.824 6.854 ( -18.262 14.939 2.710) 23.749 7.076 ( -8.284 2.146 5.377) 10.106 7.364 ( -10.060 -4.959 3.339) 11.702 7.583 ( 4.873 -0.881 16.810) 17.525 7.775 ( -14.383 -2.910 6.712) 16.136 8.268 ( -16.804 -5.808 13.072) 22.067 8.682 ( -7.093 1.654 -4.430) 8.525 9.126 ( 7.348 -1.845 -5.214) 9.196 9.159 ( -20.023 -11.365 2.052) 23.115 9.416 ( -1.687 -18.523 -1.934) 18.700 10.103 ( -1.909 -6.421 -8.464) 10.794 10.548 ( -0.332 -5.036 4.600) 6.829 10.868 ( 2.268 -6.140 -7.178) 9.714 11.111 ( 6.380 12.371 -10.072) 17.180 11.558 ( 14.461 -7.211 13.175) 20.850 12.697 ( -5.773 2.212 -18.710) 19.705 13.528 ( 17.800 -2.061 4.448) 18.462 13.996 ( 2.004 3.654 12.504) 13.180 14.234 ( 4.026 -14.336 -2.321) 15.071 14.885 ( 6.576 9.603 8.183) 14.227 15.198 ( 8.620 -2.786 -0.853) 9.099 15.515 ( 6.762 1.129 0.734) 6.895 16.031 ( 4.073 3.125 -5.876) 7.802 16.309 ( 14.304 2.896 -0.799) 14.616 16.703 ( 19.646 0.685 -3.750) 20.013 16.910 ( 15.693 8.234 -0.858) 17.743 18.325 ( -2.000 -0.159 5.407) 5.767 18.966 ( -4.426 -2.417 -8.604) 9.973 19.272 ( 2.435 0.439 2.977) 3.871 19.560 ( 1.036 -1.429 -3.256) 3.704 20.145 ( -9.273 -0.547 12.469) 15.549 20.645 ( -1.863 0.812 0.051) 2.033 20.894 ( -6.350 1.172 -0.884) 6.517 21.142 ( -1.820 -0.007 -4.163) 4.543 21.181 ( -6.122 1.082 1.749) 6.458 21.392 ( -7.605 1.350 -3.129) 8.334 21.758 ( 5.011 1.834 8.710) 10.214 22.329 ( 4.603 0.371 -7.573) 8.870 23.061 ( 0.159 -1.431 8.191) 8.317 23.799 ( -6.947 2.835 -9.166) 11.845 24.281 ( -2.351 0.751 6.595) 7.042 24.737 ( 1.746 -7.347 -4.165) 8.624 25.449 ( -13.342 -2.550 3.756) 14.093 25.920 ( -9.076 -5.105 -7.937) 13.093 26.510 ( 1.314 -0.275 10.025) 10.114 27.182 ( 10.031 -2.740 -6.012) 12.012 ======================= Grid point 123 (44/93) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -20.126 30.610 9.269) 37.788 3.141 ( -21.999 30.878 22.910) 44.297 4.225 ( -20.296 4.790 -9.124) 22.763 4.731 ( -16.594 10.596 -6.237) 20.653 5.051 ( -29.171 12.281 -13.628) 34.460 5.489 ( -12.183 0.604 4.185) 12.896 5.757 ( -0.920 6.841 -3.000) 7.527 6.135 ( -5.373 9.610 -2.617) 11.317 6.462 ( -2.988 9.780 -3.146) 10.699 6.850 ( -10.456 2.685 -1.709) 10.930 7.205 ( -16.963 0.533 4.974) 17.685 7.462 ( -8.119 -1.175 6.650) 10.560 7.819 ( 0.995 -10.117 8.606) 13.320 8.067 ( -11.774 -6.966 10.171) 17.047 8.684 ( 0.315 -5.599 0.719) 5.654 8.978 ( -7.818 -11.572 1.733) 14.073 9.388 ( 10.242 -9.490 -4.313) 14.614 9.701 ( 3.879 -13.239 -11.572) 18.006 10.232 ( 6.161 -13.384 -6.691) 16.181 10.546 ( -6.332 -4.326 -1.914) 7.904 10.961 ( -0.519 -1.751 -0.642) 1.936 11.136 ( 13.270 2.662 -9.045) 16.278 11.901 ( 13.197 -6.032 6.225) 15.789 12.566 ( -7.781 0.830 -10.457) 13.061 13.556 ( -0.342 14.959 31.963) 35.291 14.197 ( 11.678 -12.671 -0.640) 17.243 14.513 ( 10.502 -7.222 -4.554) 13.535 14.893 ( 5.760 7.052 7.753) 11.959 15.283 ( -6.341 -6.229 -8.398) 12.229 15.600 ( 8.938 5.730 4.159) 11.403 16.006 ( 2.009 10.219 -7.253) 12.691 16.419 ( 7.420 11.250 -11.383) 17.641 17.061 ( 18.413 -3.721 1.980) 18.890 17.303 ( 34.443 -0.077 -2.388) 34.525 18.291 ( -2.235 -0.428 5.906) 6.329 18.907 ( -5.896 -2.306 -7.445) 9.772 19.302 ( 2.081 1.702 1.792) 3.231 19.583 ( -1.591 -2.579 -2.457) 3.901 19.995 ( -10.019 -2.934 15.249) 18.480 20.573 ( -6.218 -0.985 -1.831) 6.557 20.786 ( -2.794 3.604 2.642) 5.270 21.039 ( -5.694 1.746 0.253) 5.961 21.109 ( -4.333 0.135 -2.568) 5.039 21.211 ( -9.717 1.704 -1.299) 9.950 21.835 ( 3.705 0.269 8.245) 9.043 22.371 ( 2.337 2.759 -3.583) 5.091 23.125 ( 6.700 0.103 -0.233) 6.704 23.643 ( -4.220 4.562 -12.277) 13.760 24.264 ( 0.541 -0.651 10.114) 10.149 24.756 ( -7.846 -2.226 -4.327) 9.232 25.293 ( -12.366 -10.914 6.208) 17.623 25.852 ( -9.008 -10.503 -9.304) 16.674 26.545 ( 2.485 0.877 13.206) 13.466 27.392 ( 10.347 -2.026 -8.103) 13.297 ======================= Grid point 124 (45/93) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -16.541 34.059 17.202) 41.588 2.301 ( -32.009 30.495 23.658) 50.142 3.568 ( -28.007 37.510 31.502) 56.424 4.280 ( -17.263 4.465 -19.609) 26.504 4.509 ( -13.169 2.087 -29.776) 32.625 5.489 ( 5.489 -3.146 11.493) 13.120 5.659 ( -5.163 3.551 3.430) 7.144 6.002 ( 5.030 7.855 1.494) 9.447 6.285 ( -2.463 14.384 -4.791) 15.359 6.660 ( -20.653 -1.668 -3.312) 20.983 6.907 ( -4.183 2.073 -7.592) 8.912 7.378 ( -6.024 -2.374 -9.647) 11.619 7.917 ( -0.496 -7.954 6.555) 10.319 8.088 ( -1.003 -12.785 13.826) 18.858 8.785 ( 0.632 -11.771 6.065) 13.257 9.025 ( -0.734 -1.649 11.275) 11.419 9.631 ( 3.433 -9.394 -20.552) 22.856 9.917 ( 11.111 -7.918 -7.032) 15.349 10.419 ( -10.960 -5.703 -2.575) 12.620 10.583 ( 9.111 -12.350 -6.890) 16.822 10.989 ( 3.290 0.742 -0.494) 3.409 11.397 ( 10.668 -7.187 -9.368) 15.913 12.135 ( 8.274 -1.053 4.273) 9.372 12.427 ( -5.633 -0.482 -3.304) 6.549 13.370 ( 0.429 15.161 35.082) 38.220 14.507 ( 7.781 -10.121 1.367) 12.839 14.711 ( 8.552 3.876 0.075) 9.390 14.937 ( 2.745 -2.464 0.454) 3.717 15.159 ( -11.167 -1.718 -6.870) 13.223 15.675 ( 4.932 3.503 1.225) 6.172 15.861 ( -1.714 14.046 -3.648) 14.613 16.357 ( 2.616 12.314 -18.022) 21.983 17.461 ( 18.137 -7.933 4.096) 20.215 17.926 ( 29.008 -6.354 -5.071) 30.126 18.264 ( -1.397 -1.392 5.242) 5.601 18.796 ( -9.269 -0.709 -7.210) 11.765 19.295 ( -0.439 1.848 2.170) 2.884 19.555 ( -4.442 -1.438 -1.118) 4.801 19.879 ( -8.819 -6.362 19.689) 22.492 20.472 ( -3.961 2.561 -1.965) 5.110 20.721 ( 0.613 3.528 4.153) 5.483 20.940 ( -4.176 0.306 0.339) 4.201 21.000 ( -6.678 1.285 -1.260) 6.917 21.056 ( -5.012 1.790 -0.781) 5.380 21.846 ( -1.713 0.570 8.298) 8.493 22.367 ( 2.138 4.252 -1.708) 5.057 23.225 ( 8.811 10.884 -12.872) 19.021 23.636 ( 4.525 -6.171 -11.876) 14.128 24.321 ( 4.931 -0.954 9.023) 10.326 24.569 ( -11.081 1.362 -1.393) 11.251 25.225 ( -17.539 -19.957 12.424) 29.330 25.864 ( -4.480 -11.367 -8.047) 14.630 26.562 ( 1.309 2.127 16.278) 16.469 27.566 ( 7.628 0.260 -11.241) 13.587 ======================= Grid point 125 (46/93) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 29.886 30.774) 42.898 1.539 ( 0.000 29.203 35.195) 45.733 2.736 ( 0.000 51.564 58.238) 77.785 4.090 ( -0.000 -2.314 -29.345) 29.436 4.457 ( -0.000 -2.882 -35.188) 35.306 5.541 ( 0.000 0.016 7.726) 7.726 5.686 ( -0.000 -11.435 13.819) 17.937 5.940 ( 0.000 13.238 -3.732) 13.754 6.246 ( 0.000 8.702 -2.423) 9.033 6.268 ( 0.000 4.334 2.427) 4.967 6.890 ( 0.000 1.662 -14.109) 14.206 7.339 ( -0.000 -1.838 -20.759) 20.841 8.034 ( -0.000 -10.744 5.043) 11.869 8.239 ( -0.000 -14.476 21.997) 26.333 8.932 ( 0.000 9.623 19.567) 21.805 8.983 ( -0.000 -13.165 -2.355) 13.374 9.741 ( -0.000 -6.415 -20.021) 21.024 10.243 ( -0.000 -5.736 -2.340) 6.195 10.284 ( -0.000 -10.840 -8.477) 13.761 10.804 ( -0.000 -8.437 -9.186) 12.473 10.992 ( 0.000 6.080 -3.663) 7.098 11.562 ( 0.000 1.611 -15.371) 15.455 12.189 ( -0.000 -0.635 9.227) 9.249 12.445 ( -0.000 -5.018 1.169) 5.152 13.213 ( 0.000 13.002 33.931) 36.337 14.704 ( 0.000 7.401 2.374) 7.772 14.708 ( -0.000 -10.778 2.412) 11.045 14.994 ( 0.000 3.515 -6.691) 7.558 15.048 ( -0.000 -5.592 -5.657) 7.954 15.640 ( 0.000 10.191 2.325) 10.453 15.705 ( 0.000 5.922 0.811) 5.978 16.250 ( 0.000 8.833 -20.825) 22.620 17.764 ( -0.000 -9.147 5.323) 10.583 18.206 ( -0.000 -0.023 4.501) 4.501 18.390 ( -0.000 -11.870 -6.981) 13.770 18.660 ( 0.000 1.896 -5.257) 5.589 19.267 ( 0.000 0.531 3.254) 3.297 19.489 ( 0.000 1.867 -1.643) 2.487 19.902 ( -0.000 -12.853 23.059) 26.399 20.385 ( 0.000 5.547 -1.084) 5.652 20.708 ( 0.000 2.831 4.315) 5.161 20.891 ( -0.000 -0.215 0.435) 0.486 20.929 ( -0.000 -0.475 -0.354) 0.593 20.984 ( 0.000 3.138 -1.983) 3.712 21.814 ( -0.000 -1.409 9.453) 9.557 22.331 ( 0.000 5.636 -2.741) 6.267 23.118 ( 0.000 22.067 -18.774) 28.973 23.847 ( -0.000 -12.896 -12.920) 18.255 24.369 ( -0.000 -0.460 0.930) 1.038 24.464 ( 0.000 2.800 -1.050) 2.990 25.289 ( -0.000 -29.873 27.730) 40.760 25.945 ( -0.000 -9.110 -4.870) 10.330 26.550 ( 0.000 0.082 19.287) 19.287 27.606 ( 0.000 6.579 -15.637) 16.965 ======================= Grid point 128 (47/93) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 35.587 0.000 4.996) 35.936 3.453 ( 44.313 0.000 11.076) 45.676 4.528 ( 12.571 0.000 -12.306) 17.591 4.794 ( -0.977 -0.000 -20.411) 20.434 5.353 ( 3.333 0.000 6.206) 7.044 5.518 ( -2.466 -0.000 -3.675) 4.425 6.183 ( 0.447 0.000 3.507) 3.535 6.418 ( 5.707 0.000 -2.543) 6.248 6.783 ( 52.364 0.000 11.003) 53.507 6.833 ( 0.954 0.000 8.982) 9.033 7.422 ( 3.957 0.000 9.123) 9.944 7.623 ( -14.821 -0.000 12.815) 19.592 8.211 ( 9.367 0.000 -4.481) 10.384 8.408 ( -5.520 -0.000 -4.546) 7.151 9.039 ( 12.787 0.000 -5.838) 14.056 9.450 ( -12.452 -0.000 3.374) 12.901 9.767 ( -2.323 -0.000 1.201) 2.615 9.996 ( -10.057 -0.000 -1.436) 10.159 10.047 ( -11.871 -0.000 -5.226) 12.971 10.487 ( -7.552 -0.000 -11.542) 13.793 10.608 ( -4.767 -0.000 0.866) 4.845 10.630 ( 26.397 0.000 -24.021) 35.691 12.166 ( -6.792 -0.000 14.998) 16.464 12.393 ( -3.925 -0.000 5.202) 6.517 13.410 ( 17.319 0.000 19.192) 25.851 14.126 ( -29.044 -0.000 -5.440) 29.549 14.412 ( -6.081 -0.000 -0.199) 6.084 14.536 ( -12.902 -0.000 0.747) 12.923 15.337 ( -0.426 -0.000 -3.024) 3.054 15.504 ( -10.511 -0.000 -0.711) 10.535 15.675 ( -9.306 -0.000 -9.895) 13.584 15.790 ( 3.866 0.000 -5.641) 6.838 16.426 ( -3.142 -0.000 2.070) 3.762 16.478 ( 0.150 0.000 0.652) 0.669 18.391 ( 1.444 0.000 5.929) 6.102 19.025 ( -1.003 -0.000 -8.014) 8.077 19.237 ( -0.968 -0.000 2.026) 2.246 19.622 ( -4.367 -0.000 -2.825) 5.202 20.447 ( 4.874 0.000 11.774) 12.743 20.752 ( -3.821 -0.000 10.693) 11.356 20.955 ( 7.989 0.000 -4.883) 9.363 21.139 ( 7.846 0.000 3.178) 8.465 21.252 ( 3.377 0.000 0.658) 3.441 21.276 ( 6.060 0.000 -0.194) 6.064 21.988 ( -3.660 -0.000 3.226) 4.879 22.191 ( 1.969 0.000 -1.023) 2.218 23.164 ( -9.386 -0.000 -5.167) 10.714 23.365 ( 10.361 0.000 -13.578) 17.080 24.267 ( 1.645 0.000 9.937) 10.072 24.961 ( -5.044 -0.000 -10.616) 11.753 25.731 ( -0.620 -0.000 12.655) 12.670 26.064 ( 0.113 0.000 2.800) 2.802 26.720 ( 0.680 0.000 -0.732) 0.999 27.075 ( -9.873 -0.000 -8.448) 12.994 ======================= Grid point 129 (48/93) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( 25.932 13.608 3.587) 29.504 4.267 ( 38.202 -5.581 2.718) 38.703 4.771 ( 10.350 1.056 -10.441) 14.740 4.836 ( 5.755 -4.152 -13.294) 15.069 5.378 ( 6.961 10.223 0.522) 12.379 5.621 ( 6.011 -9.383 -5.864) 12.592 6.131 ( -2.703 -0.069 3.609) 4.510 6.375 ( -8.803 -2.985 3.904) 10.082 6.791 ( -1.987 2.610 3.169) 4.561 7.292 ( -8.431 0.562 5.468) 10.065 7.389 ( -4.747 -6.826 11.035) 13.817 7.589 ( 0.270 -10.252 0.868) 10.292 8.361 ( 2.878 0.565 -0.250) 2.943 8.423 ( 15.224 -2.543 2.935) 15.711 8.979 ( -17.068 13.531 3.452) 22.053 9.237 ( -12.228 -3.296 -0.024) 12.664 9.462 ( -12.366 8.976 4.830) 16.026 9.805 ( -9.674 -8.504 -4.791) 13.743 10.122 ( 13.198 6.251 0.105) 14.603 10.347 ( -15.769 2.745 -7.774) 17.794 10.540 ( -1.165 -11.697 -5.302) 12.896 11.063 ( 7.990 -4.665 -6.783) 11.472 11.951 ( 4.192 24.207 4.942) 25.059 12.492 ( 1.757 -17.333 -3.234) 17.719 13.472 ( -11.036 14.539 -1.530) 18.317 13.722 ( -9.687 -3.481 -3.847) 10.989 14.305 ( 1.551 1.013 6.337) 6.602 14.455 ( -3.371 -7.729 4.693) 9.650 15.197 ( -4.697 1.722 0.897) 5.083 15.471 ( 7.181 8.939 -1.329) 11.542 15.627 ( -1.463 -8.577 -1.913) 8.909 15.880 ( 2.450 -5.531 0.414) 6.064 16.477 ( 9.778 5.580 -2.795) 11.600 16.614 ( 10.688 -3.454 -1.646) 11.352 18.399 ( -0.135 0.669 5.287) 5.331 18.995 ( -2.850 -0.892 -9.437) 9.898 19.231 ( 0.376 0.062 2.451) 2.481 19.554 ( -2.879 0.246 -2.639) 3.913 20.480 ( -0.496 2.792 13.530) 13.824 20.679 ( -1.645 1.312 6.419) 6.756 21.041 ( 1.422 -1.162 -4.154) 4.541 21.228 ( 2.042 3.669 -1.794) 4.566 21.309 ( 3.829 -2.358 0.808) 4.569 21.388 ( 4.002 -1.329 1.450) 4.459 21.875 ( -3.711 5.051 4.786) 7.886 22.269 ( 3.099 -2.874 -3.688) 5.610 22.996 ( -6.093 2.263 0.299) 6.507 23.558 ( 4.385 -8.723 -12.527) 15.883 24.308 ( 2.578 -0.569 6.698) 7.199 24.823 ( -8.968 1.546 -7.546) 11.822 25.681 ( -4.156 1.272 10.538) 11.399 26.077 ( -0.137 -1.002 2.822) 2.998 26.739 ( 1.973 4.080 -2.751) 5.301 26.890 ( -9.370 -1.689 -5.411) 10.951 ======================= Grid point 130 (49/93) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 11.348 14.796 2.724) 18.845 4.719 ( 15.250 20.230 4.625) 25.753 4.838 ( 5.396 -0.582 -20.029) 20.751 5.026 ( 6.456 -4.440 -5.654) 9.663 5.408 ( 7.866 11.892 -4.373) 14.914 5.759 ( 4.338 -0.284 -2.743) 5.140 6.036 ( -9.171 3.641 5.044) 11.081 6.436 ( 8.938 -9.571 5.286) 14.122 6.803 ( -1.172 -8.784 3.111) 9.392 6.997 ( -20.918 -5.498 2.037) 21.724 7.256 ( -18.274 -14.554 2.508) 23.495 7.743 ( 2.259 -8.660 6.327) 10.960 8.221 ( -11.526 12.439 -2.402) 17.128 8.398 ( -25.508 2.677 9.552) 27.369 8.673 ( -6.746 -3.487 4.518) 8.836 9.009 ( -8.225 -4.146 -1.175) 9.286 9.255 ( -5.896 7.989 -3.293) 10.461 9.782 ( -21.955 -2.299 -4.414) 22.512 10.051 ( -3.673 -2.920 2.096) 5.139 10.241 ( 8.104 -1.579 -7.247) 10.986 10.750 ( 6.502 -6.845 8.774) 12.889 10.953 ( -16.261 -4.010 0.557) 16.758 11.775 ( 6.306 23.768 3.758) 24.875 12.746 ( 6.830 -6.227 -13.306) 16.201 13.300 ( 1.516 -1.635 -12.154) 12.357 13.557 ( -3.465 -2.314 -11.197) 11.947 14.314 ( -0.942 4.552 12.711) 13.535 14.676 ( 11.141 -12.570 6.848) 18.138 15.185 ( 6.557 5.844 7.642) 11.643 15.500 ( 8.002 7.749 -1.210) 11.205 15.809 ( 12.854 -4.579 -1.320) 13.709 16.032 ( 8.422 -4.901 4.313) 10.656 16.604 ( 12.874 6.624 -6.515) 15.876 16.846 ( 11.827 -1.049 -1.297) 11.944 18.373 ( -1.519 0.971 4.725) 5.058 18.953 ( -3.771 -1.919 -10.374) 11.204 19.247 ( 1.725 0.373 3.115) 3.580 19.526 ( -0.361 -0.320 -2.602) 2.646 20.358 ( -8.159 3.103 13.353) 15.953 20.686 ( 2.621 1.055 3.368) 4.396 21.031 ( -4.820 -0.716 -2.999) 5.722 21.173 ( -1.703 3.430 -3.490) 5.181 21.328 ( -4.437 -0.119 0.204) 4.444 21.445 ( 1.091 -0.486 -0.396) 1.258 21.808 ( 1.887 2.995 6.135) 7.083 22.328 ( 3.398 2.129 -8.086) 9.026 22.933 ( -1.987 -3.456 7.833) 8.789 23.707 ( 0.336 -9.268 -9.917) 13.578 24.355 ( 1.977 0.614 2.931) 3.588 24.651 ( -7.467 1.115 -3.782) 8.444 25.561 ( -9.712 -1.394 7.388) 12.282 26.045 ( -5.859 -0.198 0.229) 5.867 26.601 ( -6.030 4.724 -0.282) 7.665 26.926 ( 5.973 -3.390 -4.296) 8.101 ======================= Grid point 131 (50/93) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -5.393 21.237 0.380) 21.914 4.482 ( -4.623 31.787 11.773) 34.211 4.783 ( -11.734 5.466 -11.781) 17.503 5.154 ( 4.017 4.296 -15.365) 16.453 5.361 ( 0.247 2.356 -4.693) 5.257 5.608 ( -11.061 4.338 2.855) 12.219 6.046 ( 9.157 -0.757 -0.454) 9.200 6.407 ( -24.014 5.280 -6.188) 25.354 6.789 ( -7.041 -17.611 1.242) 19.007 6.986 ( 3.493 -4.911 4.148) 7.316 7.313 ( -5.507 -7.690 1.949) 9.657 7.616 ( -2.395 3.872 14.132) 14.847 7.858 ( -18.190 6.599 4.427) 19.851 8.143 ( -8.483 -2.244 9.071) 12.621 8.580 ( -9.222 -12.007 -2.287) 15.311 8.901 ( -23.622 -5.408 -2.072) 24.321 9.036 ( -1.475 -5.029 -1.917) 5.581 9.332 ( -17.807 5.677 6.116) 19.665 10.029 ( -3.897 0.714 -9.416) 10.215 10.363 ( -2.570 -8.748 2.100) 9.357 10.686 ( -9.726 -7.693 -4.095) 13.060 11.114 ( 11.294 -9.146 1.744) 14.637 11.646 ( 5.117 11.636 7.478) 14.748 12.789 ( -2.735 5.287 -21.741) 22.541 13.416 ( 12.511 -6.474 -4.207) 14.702 13.838 ( 12.656 -15.729 -7.547) 21.553 14.204 ( -0.173 10.322 16.514) 19.475 14.943 ( 3.397 -9.403 0.341) 10.004 15.236 ( 9.423 10.725 9.695) 17.257 15.589 ( 9.510 3.438 4.307) 10.992 16.111 ( 17.532 3.512 -8.249) 19.692 16.291 ( 16.100 -3.237 4.011) 16.905 16.773 ( 13.689 4.400 -5.908) 15.545 17.053 ( 15.909 3.914 -0.880) 16.407 18.332 ( -1.996 0.707 4.688) 5.144 18.908 ( -4.333 -2.267 -9.794) 10.947 19.285 ( 3.269 0.549 3.303) 4.679 19.540 ( 0.855 -0.685 -2.959) 3.155 20.160 ( -10.974 1.469 12.205) 16.479 20.689 ( -1.777 2.708 0.613) 3.297 20.899 ( -7.915 -0.500 -1.044) 7.999 21.128 ( -2.137 -0.462 -3.325) 3.979 21.215 ( -6.944 0.905 1.460) 7.153 21.399 ( -6.564 0.383 -3.388) 7.397 21.846 ( 6.362 3.823 6.913) 10.143 22.370 ( 5.486 3.060 -8.937) 10.924 22.978 ( 0.910 -4.577 10.121) 11.145 23.771 ( -2.804 -4.697 -8.132) 9.800 24.324 ( -2.647 2.963 2.746) 4.830 24.605 ( 0.555 -3.732 -2.541) 4.549 25.374 ( -15.500 -3.736 4.859) 16.668 25.861 ( -14.247 -0.717 -4.190) 14.867 26.526 ( 1.322 1.613 6.170) 6.513 27.104 ( 9.119 -3.650 -5.689) 11.351 ======================= Grid point 132 (51/93) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -10.893 29.748 0.633) 31.686 3.812 ( -31.787 24.715 14.629) 42.839 4.408 ( -16.143 10.605 -6.366) 20.337 4.986 ( -8.980 11.914 -15.367) 21.418 5.250 ( -13.839 5.433 -6.647) 16.286 5.547 ( 0.364 3.447 -0.603) 3.518 5.919 ( -6.518 7.693 -7.797) 12.746 6.231 ( 3.667 -1.005 -0.638) 3.855 6.663 ( -15.270 5.152 2.254) 16.272 6.976 ( -7.709 2.437 3.876) 8.967 7.171 ( -6.255 -0.363 0.034) 6.266 7.468 ( -14.570 3.552 2.260) 15.166 7.742 ( -6.657 1.462 10.194) 12.263 7.945 ( -2.056 -2.978 20.873) 21.185 8.518 ( -14.961 -7.262 2.697) 16.848 8.708 ( -1.291 -10.816 -0.103) 10.894 9.183 ( 6.381 -9.014 -2.993) 11.443 9.339 ( 9.074 -13.899 -1.564) 16.672 9.947 ( -6.067 -9.209 -11.880) 16.210 10.432 ( -3.750 -7.541 2.039) 8.665 10.648 ( -8.804 -15.060 -0.756) 17.461 11.251 ( -2.123 -2.530 -9.869) 10.407 11.771 ( 12.866 -2.877 5.812) 14.408 12.638 ( -5.102 6.205 -18.650) 20.307 13.782 ( 13.881 -4.754 12.910) 19.544 14.003 ( 0.969 3.137 13.915) 14.298 14.311 ( 15.924 -6.404 -5.833) 18.127 15.039 ( -2.493 -6.959 -4.581) 8.696 15.245 ( 7.494 12.767 8.188) 16.918 15.703 ( 6.708 2.956 6.788) 9.991 16.259 ( 9.490 10.765 -9.919) 17.445 16.601 ( 14.235 1.204 -6.169) 15.561 16.934 ( 7.344 -2.251 1.251) 7.782 17.403 ( 31.369 6.366 -3.715) 32.224 18.291 ( -1.881 0.454 5.028) 5.388 18.855 ( -4.719 -2.002 -8.452) 9.885 19.341 ( 3.961 1.297 2.856) 5.053 19.553 ( -0.542 -0.336 -2.612) 2.689 19.959 ( -11.052 -0.500 12.638) 16.796 20.544 ( -10.627 -0.942 -2.479) 10.953 20.838 ( -0.820 0.614 2.197) 2.424 21.068 ( -6.702 0.298 1.142) 6.805 21.097 ( -5.274 -0.925 -3.024) 6.150 21.239 ( -8.790 1.929 -2.104) 9.242 21.921 ( 7.662 5.082 7.261) 11.715 22.430 ( 4.518 2.864 -6.454) 8.383 23.070 ( 4.583 -3.722 5.696) 8.203 23.727 ( -3.414 1.763 -9.631) 10.369 24.260 ( -0.779 0.943 6.974) 7.080 24.677 ( -0.347 -4.127 -3.640) 5.514 25.116 ( -19.122 -5.037 5.329) 20.480 25.650 ( -13.023 -6.370 -6.818) 16.021 26.565 ( 3.646 0.701 9.758) 10.440 27.313 ( 9.172 -4.267 -7.125) 12.373 ======================= Grid point 133 (52/93) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -16.613 33.312 9.220) 38.350 2.970 ( -25.894 25.804 7.938) 37.408 4.084 ( -4.823 11.639 -8.358) 15.119 4.542 ( -28.606 5.969 -22.652) 36.973 4.818 ( -5.699 29.861 6.008) 30.988 5.526 ( 5.844 6.969 4.881) 10.322 5.801 ( -6.096 7.537 7.309) 12.141 6.183 ( 2.010 6.461 -1.597) 6.952 6.543 ( -3.450 -4.243 -3.723) 6.616 6.657 ( -8.713 13.080 -5.499) 16.651 6.973 ( -14.450 2.708 -0.134) 14.702 7.277 ( -4.626 -2.467 -1.349) 5.413 7.782 ( 2.822 -8.832 5.322) 10.691 7.902 ( -3.091 0.498 10.582) 11.036 8.424 ( -8.571 -13.266 20.838) 26.147 8.954 ( 10.617 -6.906 -2.376) 12.887 9.394 ( 1.334 -9.577 -11.418) 14.962 9.638 ( 7.323 -15.797 -5.467) 18.250 10.161 ( 6.709 -18.776 -1.763) 20.016 10.362 ( -8.439 -3.879 -4.427) 10.289 10.751 ( -4.362 -19.069 4.817) 20.146 11.260 ( 0.125 -5.384 -13.578) 14.607 12.021 ( 7.518 -7.562 0.192) 10.665 12.484 ( -4.473 5.323 -13.238) 14.953 13.748 ( 1.355 16.505 33.621) 37.478 14.238 ( 9.157 -11.741 4.005) 15.418 14.649 ( 13.072 -6.224 -5.090) 15.347 15.031 ( -6.612 -5.483 -7.122) 11.158 15.192 ( 5.244 15.937 6.267) 17.910 15.742 ( 1.802 2.316 4.187) 5.113 16.209 ( 2.318 14.585 -7.693) 16.652 16.672 ( 4.780 12.475 -17.666) 22.148 17.170 ( 7.830 -14.346 9.032) 18.673 17.894 ( 28.505 3.428 -7.319) 29.629 18.256 ( -1.615 0.446 4.477) 4.780 18.784 ( -5.308 -0.502 -7.904) 9.534 19.354 ( -0.676 2.913 2.456) 3.870 19.541 ( 0.105 0.048 0.994) 1.001 19.793 ( -9.555 -1.844 13.983) 17.036 20.433 ( -5.323 -5.384 -3.069) 8.169 20.814 ( 0.695 3.417 3.196) 4.730 20.944 ( -5.876 0.600 1.114) 6.010 20.992 ( -8.308 -1.745 -1.569) 8.633 21.107 ( -2.746 2.922 -1.019) 4.137 21.958 ( 3.981 7.315 8.074) 11.600 22.452 ( 2.405 3.299 -3.575) 5.426 23.234 ( 7.426 -5.807 -2.200) 9.681 23.647 ( -0.645 4.656 -13.700) 14.484 24.293 ( 4.482 -1.042 8.803) 9.933 24.621 ( -6.368 2.255 -2.141) 7.087 24.874 ( -18.728 -10.272 9.770) 23.489 25.595 ( -5.233 -11.316 -8.514) 15.097 26.611 ( 2.523 1.357 12.410) 12.737 27.504 ( 6.322 -4.541 -8.720) 11.688 ======================= Grid point 134 (53/93) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 28.376 20.020) 34.727 2.340 ( 0.000 41.940 3.850) 42.117 3.901 ( 0.000 40.350 20.017) 45.042 4.054 ( 0.000 0.318 -23.183) 23.185 4.508 ( 0.000 12.610 -14.383) 19.129 5.551 ( 0.000 0.921 9.481) 9.526 5.621 ( 0.000 6.202 13.675) 15.016 6.202 ( 0.000 8.502 -3.449) 9.175 6.368 ( 0.000 0.764 -7.069) 7.110 6.503 ( 0.000 15.460 -1.681) 15.551 6.866 ( -0.000 -4.091 -11.497) 12.203 7.268 ( -0.000 -3.614 -10.333) 10.947 7.869 ( -0.000 -2.601 7.998) 8.411 7.944 ( -0.000 -10.141 9.503) 13.897 8.547 ( -0.000 -19.986 18.970) 27.556 9.076 ( 0.000 2.212 7.528) 7.846 9.527 ( -0.000 -12.654 -17.995) 21.998 9.947 ( -0.000 -17.104 -5.082) 17.843 10.205 ( 0.000 0.291 -7.191) 7.197 10.510 ( -0.000 -16.311 -2.161) 16.453 10.913 ( -0.000 -13.763 5.843) 14.952 11.372 ( -0.000 -10.307 -14.900) 18.118 12.175 ( -0.000 -5.126 -1.851) 5.450 12.392 ( 0.000 1.968 -8.229) 8.461 13.565 ( 0.000 16.742 36.151) 39.839 14.454 ( -0.000 -11.030 5.187) 12.189 14.878 ( -0.000 -6.823 -3.649) 7.738 14.959 ( 0.000 3.262 -5.981) 6.812 15.054 ( 0.000 11.283 1.648) 11.403 15.734 ( 0.000 1.583 2.256) 2.756 16.033 ( 0.000 16.633 -4.038) 17.116 16.544 ( 0.000 14.831 -20.674) 25.443 17.452 ( -0.000 -17.577 7.713) 19.195 18.202 ( -0.000 -1.782 -8.923) 9.099 18.205 ( -0.000 -0.034 4.204) 4.204 18.707 ( 0.000 1.806 -6.827) 7.062 19.297 ( 0.000 2.131 4.533) 5.009 19.540 ( 0.000 2.286 -1.122) 2.546 19.724 ( -0.000 -4.201 19.297) 19.748 20.452 ( -0.000 -2.330 -3.842) 4.493 20.784 ( 0.000 3.784 4.614) 5.967 20.884 ( -0.000 -0.340 0.421) 0.541 20.914 ( -0.000 -0.719 -0.198) 0.746 21.051 ( 0.000 2.900 -1.053) 3.085 21.894 ( 0.000 7.561 8.894) 11.673 22.434 ( 0.000 3.664 -2.234) 4.292 23.390 ( -0.000 -2.793 -11.036) 11.384 23.608 ( -0.000 -0.345 -15.037) 15.041 24.367 ( 0.000 0.314 1.748) 1.776 24.538 ( 0.000 3.404 -1.807) 3.854 24.778 ( -0.000 -15.019 23.918) 28.242 25.696 ( -0.000 -11.909 -8.537) 14.652 26.610 ( 0.000 2.617 14.763) 14.993 27.613 ( -0.000 -3.529 -10.457) 11.037 ======================= Grid point 139 (54/93) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( 9.008 0.000 -4.928) 10.268 4.756 ( 10.144 0.000 -12.485) 16.087 4.945 ( 20.180 0.000 -5.453) 20.904 5.069 ( 17.631 0.000 -1.381) 17.685 5.612 ( 13.146 0.000 -0.619) 13.160 5.681 ( -1.892 -0.000 -4.103) 4.518 6.167 ( -10.252 -0.000 6.307) 12.036 6.249 ( 20.473 0.000 1.726) 20.545 6.724 ( -4.935 -0.000 5.837) 7.644 6.940 ( -31.869 -0.000 -2.265) 31.950 6.998 ( -23.116 -0.000 6.366) 23.977 7.583 ( 6.325 0.000 9.072) 11.059 8.327 ( -21.457 -0.000 12.624) 24.895 8.611 ( -13.606 -0.000 8.606) 16.100 8.613 ( -0.697 -0.000 0.036) 0.698 8.862 ( -18.861 -0.000 -9.549) 21.141 9.451 ( -19.784 -0.000 -6.738) 20.900 9.662 ( -3.397 -0.000 -6.261) 7.123 10.016 ( -2.867 -0.000 3.568) 4.577 10.302 ( -7.313 -0.000 -8.053) 10.878 10.592 ( 17.472 0.000 7.165) 18.884 10.897 ( -18.148 -0.000 3.696) 18.520 12.236 ( -7.390 -0.000 4.565) 8.686 12.559 ( 27.589 0.000 -10.409) 29.487 13.130 ( -19.736 -0.000 -6.650) 20.826 13.688 ( -3.910 -0.000 -16.711) 17.163 14.378 ( 1.229 0.000 4.573) 4.735 14.467 ( 14.075 0.000 11.075) 17.910 15.261 ( 9.283 0.000 9.286) 13.130 15.584 ( 3.732 0.000 -3.972) 5.450 15.800 ( 20.042 0.000 -2.677) 20.220 15.934 ( 9.554 0.000 5.766) 11.159 16.740 ( 8.541 0.000 -2.787) 8.985 16.774 ( 16.680 0.000 -3.124) 16.970 18.388 ( -1.592 -0.000 4.699) 4.961 18.929 ( -3.797 -0.000 -10.759) 11.409 19.252 ( 1.859 0.000 2.603) 3.198 19.521 ( -0.856 -0.000 -2.390) 2.539 20.400 ( -9.587 -0.000 14.885) 17.705 20.700 ( 2.896 0.000 4.752) 5.564 21.014 ( -3.620 -0.000 -4.111) 5.477 21.251 ( -3.080 -0.000 2.347) 3.872 21.297 ( -4.285 -0.000 -5.193) 6.733 21.440 ( 2.007 0.000 -0.870) 2.187 21.858 ( 0.134 0.000 6.563) 6.564 22.331 ( 5.123 0.000 -3.726) 6.334 22.915 ( -3.358 -0.000 2.599) 4.246 23.574 ( 3.065 0.000 -11.986) 12.372 24.363 ( 3.925 0.000 3.808) 5.469 24.664 ( -9.745 -0.000 -4.886) 10.901 25.550 ( -11.417 -0.000 10.162) 15.285 26.036 ( -5.363 -0.000 1.893) 5.688 26.676 ( -9.687 -0.000 -2.828) 10.091 26.873 ( 7.688 0.000 -4.215) 8.768 ======================= Grid point 140 (55/93) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( -0.299 10.586 -5.341) 11.860 4.785 ( -4.318 -2.612 -22.239) 22.805 5.109 ( -20.029 12.723 3.293) 23.955 5.188 ( 6.542 5.413 1.353) 8.598 5.448 ( -3.859 4.540 -7.187) 9.336 5.918 ( 15.978 5.733 5.312) 17.787 5.997 ( -4.459 5.793 7.071) 10.170 6.417 ( -19.216 -2.811 -7.818) 20.936 6.536 ( -9.826 -4.569 1.483) 10.937 6.841 ( 16.254 -4.899 3.821) 17.401 6.932 ( 15.445 -15.991 5.126) 22.815 7.691 ( -11.532 1.926 14.284) 18.459 7.816 ( -18.772 -7.502 15.101) 25.233 8.250 ( -19.475 0.520 -1.177) 19.517 8.447 ( -9.474 10.319 -0.812) 14.032 8.798 ( -8.091 -9.197 0.239) 12.252 9.010 ( -23.246 3.167 -11.872) 26.294 9.367 ( -17.370 -1.725 -5.242) 18.226 10.083 ( -8.024 2.787 4.550) 9.636 10.233 ( 0.141 -3.861 0.034) 3.864 10.577 ( -14.468 -0.485 -2.914) 14.766 10.892 ( 10.272 -7.130 3.401) 12.958 11.922 ( -15.246 9.290 10.080) 20.502 12.909 ( 9.888 5.137 -13.401) 17.429 13.139 ( 7.607 -14.492 -7.910) 18.178 13.681 ( 10.599 0.658 -17.431) 20.412 14.392 ( 2.654 4.421 9.154) 10.507 14.723 ( 7.720 -6.398 7.770) 12.684 15.446 ( 13.758 5.276 10.677) 18.197 15.638 ( 3.852 0.816 0.794) 4.017 16.171 ( 20.963 1.025 3.000) 21.201 16.225 ( 19.944 -1.356 -2.306) 20.123 16.859 ( 8.559 2.217 -4.641) 9.985 17.105 ( 21.607 0.869 -2.634) 21.785 18.350 ( -2.104 0.595 4.259) 4.788 18.868 ( -3.864 -0.978 -11.238) 11.924 19.294 ( 3.197 0.238 2.871) 4.303 19.525 ( 0.791 -0.471 -2.390) 2.561 20.194 ( -12.537 1.009 13.334) 18.330 20.748 ( 2.126 1.698 2.979) 4.035 20.883 ( -12.102 -0.594 -3.363) 12.574 21.141 ( -6.000 1.664 -2.117) 6.576 21.200 ( -7.115 -1.991 1.361) 7.513 21.423 ( -3.692 1.052 -3.882) 5.460 21.909 ( 6.155 1.570 6.351) 8.982 22.417 ( 4.679 0.258 -5.824) 7.475 22.913 ( 2.914 -0.513 6.429) 7.077 23.648 ( 2.262 -3.914 -10.080) 11.047 24.410 ( 0.976 3.794 1.098) 4.068 24.531 ( -4.205 -3.046 -1.740) 5.477 25.307 ( -16.989 -1.562 8.284) 18.966 25.851 ( -15.862 -0.311 -1.518) 15.937 26.570 ( -0.973 1.490 2.610) 3.159 27.032 ( 8.907 -1.915 -5.477) 10.630 ======================= Grid point 141 (56/93) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.012 ( -7.343 19.823 -4.478) 21.609 4.219 ( -50.798 10.812 9.714) 52.837 4.661 ( -8.184 7.407 -17.334) 20.551 5.171 ( -17.419 1.021 -6.656) 18.675 5.389 ( 10.828 9.375 -4.938) 15.150 5.722 ( -5.291 11.884 -10.504) 16.720 6.107 ( 1.605 -3.815 6.300) 7.538 6.169 ( 1.323 6.923 2.567) 7.501 6.624 ( 1.275 -3.350 10.101) 10.718 7.059 ( -6.023 4.188 0.997) 7.403 7.167 ( -3.722 -0.913 5.215) 6.472 7.445 ( -2.807 -6.386 6.752) 9.708 7.767 ( -8.942 -5.907 4.901) 11.784 7.966 ( -2.362 5.983 4.469) 7.833 8.358 ( -8.266 -3.552 -2.795) 9.421 8.528 ( -3.325 -3.810 3.213) 5.991 8.971 ( 3.488 -9.977 -1.148) 10.631 9.160 ( -6.355 -1.269 2.067) 6.803 9.841 ( -18.432 -2.664 -7.206) 19.969 10.158 ( -9.888 -8.135 1.216) 12.862 10.445 ( -8.242 -5.042 0.578) 9.679 11.067 ( -2.906 -8.785 -7.983) 12.221 11.696 ( -5.641 -5.306 11.374) 13.760 12.869 ( 0.810 12.578 -23.637) 26.788 13.529 ( 17.757 -12.172 1.335) 21.570 13.994 ( 15.934 -3.907 -3.246) 16.725 14.380 ( 5.500 7.015 8.779) 12.511 14.846 ( -1.532 -6.405 1.503) 6.755 15.554 ( 9.771 10.758 6.923) 16.098 15.741 ( 7.491 0.451 8.143) 11.074 16.442 ( 8.533 -0.595 7.607) 11.447 16.518 ( 13.000 0.696 -6.728) 14.654 17.000 ( 11.498 4.426 -7.928) 14.651 17.537 ( 31.424 4.427 -5.258) 32.167 18.309 ( -1.466 0.895 4.032) 4.383 18.816 ( -3.721 -1.290 -10.301) 11.028 19.357 ( 4.244 0.223 3.287) 5.373 19.548 ( 0.900 -0.308 -2.430) 2.610 19.964 ( -12.273 0.685 11.592) 16.896 20.543 ( -18.223 0.704 -2.686) 18.433 20.828 ( 1.310 -0.898 2.360) 2.844 21.040 ( -6.425 -1.637 -1.851) 6.884 21.092 ( -6.535 0.057 2.045) 6.848 21.308 ( -5.445 3.280 -3.295) 7.160 22.007 ( 7.088 2.081 5.369) 9.132 22.490 ( 4.580 1.145 -7.257) 8.658 23.006 ( 6.162 -0.717 7.484) 9.721 23.718 ( 1.366 -1.844 -8.665) 8.964 24.320 ( -2.416 3.883 3.414) 5.707 24.588 ( 2.807 -3.482 -2.344) 5.049 25.014 ( -19.870 -3.699 6.412) 21.204 25.552 ( -18.135 -2.353 -3.863) 18.690 26.582 ( 2.853 0.761 6.492) 7.132 27.215 ( 8.164 -3.533 -6.551) 11.048 ======================= Grid point 142 (57/93) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -40.151 8.660 12.188) 42.844 3.636 ( -4.125 28.010 -1.633) 28.359 4.376 ( -9.309 12.863 -14.734) 21.661 4.691 ( -21.692 7.441 -16.874) 28.472 5.491 ( 10.765 24.373 -4.240) 26.980 5.628 ( 4.527 -1.702 -5.396) 7.246 5.992 ( -7.026 8.090 5.181) 11.902 6.242 ( 3.560 -0.064 7.544) 8.342 6.542 ( -2.976 4.120 2.483) 5.657 6.817 ( -13.120 1.035 2.602) 13.416 7.034 ( -12.268 3.579 5.142) 13.775 7.404 ( -3.152 7.675 2.989) 8.819 7.602 ( 6.931 -0.969 -0.236) 7.002 7.950 ( -14.068 1.395 7.683) 16.090 8.295 ( 4.450 1.437 20.416) 20.945 8.754 ( 13.785 -7.348 -8.620) 17.841 9.181 ( 4.899 -11.365 1.293) 12.443 9.260 ( -1.285 -12.982 -5.940) 14.334 9.717 ( -0.207 -17.290 -7.749) 18.948 10.123 ( -13.979 -18.544 -0.118) 23.223 10.386 ( -5.456 -7.673 5.328) 10.818 11.061 ( -7.113 -10.668 -9.857) 16.173 11.778 ( -0.635 -13.073 3.835) 13.639 12.720 ( 0.610 14.217 -23.696) 27.641 13.947 ( 13.918 -8.199 11.160) 19.634 14.120 ( 3.085 9.118 17.092) 19.616 14.530 ( 12.638 -3.785 -4.541) 13.952 14.852 ( -6.415 -7.275 -3.971) 10.481 15.577 ( 9.422 13.624 5.141) 17.344 15.798 ( 0.637 3.281 6.649) 7.442 16.499 ( 4.101 8.578 -6.573) 11.559 16.681 ( 0.862 -10.145 6.476) 12.066 17.110 ( 9.371 9.276 -7.246) 15.046 18.010 ( 25.969 4.998 -8.996) 27.934 18.284 ( 0.836 1.969 1.876) 2.845 18.769 ( -3.137 -0.805 -9.224) 9.776 19.411 ( 1.223 1.523 3.670) 4.158 19.554 ( 1.167 1.006 0.398) 1.591 19.771 ( -9.499 -0.233 10.556) 14.203 20.279 ( -13.156 -6.497 -1.884) 14.793 20.856 ( 1.421 0.514 1.855) 2.393 20.945 ( -6.240 -1.697 -0.412) 6.480 20.978 ( -5.269 1.653 2.020) 5.880 21.192 ( -2.480 4.071 -2.208) 5.253 22.090 ( 5.161 2.940 5.353) 7.996 22.533 ( 2.779 2.999 -6.128) 7.367 23.125 ( 5.340 -2.020 4.057) 7.004 23.736 ( 1.190 2.347 -10.227) 10.560 24.290 ( 3.189 1.056 7.040) 7.801 24.645 ( -0.670 -0.523 -2.253) 2.408 24.718 ( -18.315 -3.848 6.837) 19.924 25.356 ( -9.883 -8.499 -6.111) 14.397 26.626 ( 2.371 0.214 8.934) 9.246 27.385 ( 5.224 -5.032 -7.556) 10.474 ======================= Grid point 143 (58/93) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 13.867 13.785) 19.553 3.238 ( 0.000 33.644 -0.587) 33.649 4.149 ( 0.000 7.989 -18.790) 20.418 4.383 ( 0.000 11.350 -19.141) 22.253 5.202 ( 0.000 35.598 7.647) 36.410 5.706 ( 0.000 6.905 -4.688) 8.346 5.787 ( 0.000 6.937 15.367) 16.860 6.299 ( -0.000 -3.239 -0.944) 3.374 6.417 ( 0.000 10.131 -1.631) 10.262 6.745 ( -0.000 -5.355 0.830) 5.419 6.808 ( 0.000 7.232 0.473) 7.247 7.299 ( 0.000 9.711 1.780) 9.873 7.766 ( -0.000 -5.037 -5.705) 7.611 7.798 ( -0.000 -6.522 9.659) 11.655 8.268 ( 0.000 0.532 28.142) 28.147 9.039 ( -0.000 -4.663 -11.492) 12.402 9.221 ( -0.000 -11.657 -10.534) 15.712 9.510 ( -0.000 -20.031 5.112) 20.673 10.074 ( -0.000 -20.085 1.505) 20.141 10.111 ( -0.000 -12.437 -8.819) 15.247 10.480 ( -0.000 -16.981 6.725) 18.264 11.131 ( -0.000 -11.337 -12.616) 16.961 11.938 ( -0.000 -14.176 0.435) 14.183 12.564 ( 0.000 12.558 -19.160) 22.909 13.964 ( 0.000 16.345 28.986) 33.277 14.198 ( -0.000 -10.289 8.996) 13.667 14.769 ( -0.000 -2.615 -3.483) 4.355 14.817 ( -0.000 -10.137 -7.730) 12.748 15.488 ( 0.000 19.406 2.996) 19.636 15.757 ( 0.000 0.571 4.610) 4.645 16.396 ( 0.000 13.630 -8.279) 15.947 16.791 ( -0.000 -2.852 -8.280) 8.758 17.120 ( -0.000 -0.733 6.031) 6.076 18.205 ( 0.000 0.124 3.348) 3.350 18.277 ( 0.000 6.381 -13.469) 14.904 18.734 ( 0.000 0.434 -8.505) 8.516 19.363 ( 0.000 3.288 5.578) 6.475 19.587 ( 0.000 1.629 -0.102) 1.632 19.660 ( -0.000 -1.475 14.043) 14.120 20.279 ( -0.000 -10.467 -2.630) 10.792 20.876 ( -0.000 -0.338 0.429) 0.546 20.881 ( 0.000 3.832 3.829) 5.417 20.898 ( -0.000 -0.635 -0.029) 0.636 21.127 ( 0.000 3.672 -1.464) 3.953 22.085 ( 0.000 6.427 6.637) 9.239 22.516 ( 0.000 3.735 -4.576) 5.907 23.223 ( -0.000 -5.862 -0.321) 5.871 23.707 ( 0.000 4.487 -13.611) 14.332 24.380 ( 0.000 0.629 2.464) 2.543 24.530 ( -0.000 -6.983 16.939) 18.322 24.615 ( 0.000 3.009 -2.437) 3.872 25.407 ( -0.000 -12.283 -7.929) 14.620 26.645 ( 0.000 0.509 10.844) 10.856 27.497 ( -0.000 -5.661 -8.401) 10.131 ======================= Grid point 150 (59/93) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( -34.407 -0.000 2.532) 34.500 4.443 ( -23.377 -0.000 -2.438) 23.504 4.653 ( -7.294 -0.000 -22.992) 24.121 5.176 ( -11.644 -0.000 -3.183) 12.071 5.636 ( -23.235 -0.000 0.954) 23.255 5.727 ( 13.686 0.000 -2.459) 13.905 6.078 ( -1.668 -0.000 -2.182) 2.746 6.394 ( 3.255 0.000 -1.709) 3.676 6.516 ( 13.860 0.000 13.043) 19.033 7.087 ( 5.987 0.000 14.588) 15.769 7.219 ( -1.872 -0.000 -7.968) 8.185 7.307 ( -0.808 -0.000 16.225) 16.246 7.650 ( -8.297 -0.000 2.111) 8.561 7.933 ( 5.057 0.000 5.252) 7.291 8.486 ( -21.439 -0.000 3.905) 21.791 8.593 ( -8.053 -0.000 -7.912) 11.289 8.650 ( 6.294 0.000 -9.177) 11.128 9.197 ( -5.199 -0.000 -8.370) 9.854 9.743 ( -24.746 -0.000 19.101) 31.260 10.151 ( -13.248 -0.000 -4.109) 13.871 10.375 ( -8.527 -0.000 -4.822) 9.796 10.955 ( -1.277 -0.000 -6.815) 6.934 11.599 ( -17.644 -0.000 14.984) 23.148 13.108 ( 2.145 0.000 -25.524) 25.614 13.305 ( 22.516 0.000 -0.850) 22.532 13.947 ( 19.635 0.000 -7.986) 21.197 14.453 ( 0.566 0.000 5.807) 5.834 14.785 ( 2.372 0.000 7.487) 7.854 15.690 ( 2.805 0.000 4.359) 5.184 15.742 ( 15.390 0.000 10.763) 18.781 16.372 ( 4.354 0.000 20.251) 20.714 16.580 ( 14.174 0.000 -13.105) 19.304 17.058 ( 14.784 0.000 -9.760) 17.715 17.591 ( 31.735 0.000 -5.793) 32.259 18.322 ( -1.266 -0.000 3.574) 3.792 18.799 ( -3.388 -0.000 -11.253) 11.752 19.359 ( 3.998 0.000 3.182) 5.110 19.542 ( 1.508 0.000 -2.054) 2.548 19.975 ( -12.625 -0.000 11.457) 17.049 20.557 ( -22.578 -0.000 -2.925) 22.767 20.815 ( 2.949 0.000 2.584) 3.921 21.019 ( -7.091 -0.000 -1.694) 7.290 21.092 ( -5.105 -0.000 2.606) 5.731 21.354 ( -4.651 -0.000 -3.794) 6.002 22.030 ( 6.196 0.000 5.059) 7.999 22.489 ( 3.612 0.000 -5.442) 6.531 23.014 ( 8.140 0.000 5.640) 9.903 23.687 ( 4.010 0.000 -9.116) 9.959 24.392 ( -4.893 -0.000 1.246) 5.049 24.527 ( 5.385 0.000 -0.973) 5.472 24.966 ( -20.110 -0.000 7.884) 21.600 25.526 ( -19.947 -0.000 -2.864) 20.151 26.593 ( 2.098 0.000 5.124) 5.537 27.170 ( 7.848 0.000 -6.293) 10.059 ======================= Grid point 152 (60/93) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( -43.191 1.390 12.603) 45.014 4.213 ( -1.644 20.749 -6.692) 21.863 4.572 ( -8.240 0.440 -19.375) 21.059 4.808 ( -19.283 0.129 -15.024) 24.445 5.452 ( -0.380 -2.724 2.702) 3.855 5.928 ( 7.756 3.840 -2.043) 8.893 6.046 ( -2.153 -4.601 8.135) 9.591 6.348 ( 3.119 16.623 0.625) 16.925 6.664 ( -0.191 -1.601 6.329) 6.531 6.813 ( -22.933 1.958 -1.384) 23.058 7.071 ( 5.359 -1.656 14.284) 15.346 7.497 ( -6.333 5.180 2.444) 8.539 7.725 ( 19.154 1.930 -0.179) 19.252 8.008 ( -21.049 4.579 1.044) 21.567 8.320 ( 27.311 -0.327 4.203) 27.635 8.629 ( 8.849 -5.450 -1.111) 10.452 8.937 ( 5.603 -6.410 -4.790) 9.769 9.092 ( -0.529 0.279 1.528) 1.641 9.373 ( -21.406 -12.419 -0.160) 24.748 9.824 ( -21.522 -4.108 -0.766) 21.923 10.274 ( -5.243 -1.820 1.388) 5.721 10.820 ( -13.656 -8.249 -0.800) 15.974 11.507 ( -1.492 -7.290 4.101) 8.497 13.048 ( 0.798 10.651 -31.586) 33.343 13.749 ( 19.260 -6.562 6.850) 21.469 14.260 ( 13.906 2.391 5.956) 15.316 14.442 ( -1.679 -3.491 -0.836) 3.963 14.775 ( -2.855 0.182 1.424) 3.195 15.733 ( 3.466 1.433 6.811) 7.775 15.941 ( 9.321 6.387 8.390) 14.074 16.401 ( -2.372 -7.036 24.966) 26.047 16.697 ( 3.000 3.534 -11.874) 12.746 17.298 ( 12.812 4.717 -11.931) 18.131 18.089 ( 21.177 1.630 -7.799) 22.626 18.333 ( 5.912 1.562 -2.063) 6.453 18.752 ( -2.345 -0.491 -10.274) 10.550 19.427 ( 3.366 0.175 4.487) 5.612 19.573 ( 2.272 0.422 -0.684) 2.410 19.778 ( -9.154 0.565 8.975) 12.832 20.167 ( -20.940 -2.681 -0.274) 21.113 20.859 ( 2.042 0.024 1.335) 2.440 20.916 ( -5.013 -0.689 -0.232) 5.066 21.008 ( -3.966 0.739 2.957) 5.002 21.274 ( -2.656 2.236 -3.266) 4.766 22.117 ( 3.865 0.212 4.122) 5.654 22.547 ( 2.304 -1.043 -6.214) 6.709 23.150 ( 7.636 2.406 5.190) 9.541 23.756 ( 3.140 -0.149 -8.223) 8.804 24.333 ( 0.410 1.820 4.316) 4.702 24.624 ( -1.523 -0.363 0.725) 1.725 24.650 ( -11.189 -2.317 3.892) 12.071 25.219 ( -15.161 -2.983 -3.722) 15.893 26.630 ( 1.862 0.103 6.812) 7.062 27.294 ( 4.655 -2.262 -6.920) 8.642 ======================= Grid point 153 (61/93) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 0.000 2.821 14.362) 14.636 3.921 ( 0.000 25.755 -2.444) 25.871 4.367 ( 0.000 8.528 -18.693) 20.546 4.639 ( 0.000 8.041 -17.492) 19.252 5.569 ( -0.000 -11.733 -5.649) 13.023 5.918 ( 0.000 4.080 12.897) 13.526 5.962 ( 0.000 23.131 -7.262) 24.245 6.288 ( -0.000 -0.853 7.916) 7.962 6.560 ( 0.000 1.084 -2.058) 2.326 6.670 ( 0.000 0.300 4.204) 4.215 7.020 ( 0.000 13.407 8.159) 15.694 7.477 ( -0.000 -0.670 6.979) 7.011 7.695 ( -0.000 -0.545 15.126) 15.136 7.845 ( 0.000 13.782 -12.477) 18.591 8.482 ( 0.000 13.929 20.800) 25.033 8.903 ( -0.000 -6.237 -22.412) 23.264 9.017 ( -0.000 -6.413 -8.062) 10.301 9.036 ( -0.000 -18.753 11.999) 22.263 9.625 ( -0.000 -16.746 -0.815) 16.765 9.628 ( -0.000 -21.836 -3.628) 22.136 10.255 ( -0.000 -4.599 4.712) 6.584 10.831 ( -0.000 -14.058 -1.039) 14.096 11.606 ( -0.000 -11.540 -0.084) 11.541 12.908 ( 0.000 14.601 -29.733) 33.124 14.003 ( -0.000 -5.951 13.028) 14.323 14.283 ( 0.000 9.846 16.257) 19.006 14.546 ( -0.000 -11.449 -6.872) 13.353 14.738 ( -0.000 -0.458 -4.060) 4.086 15.766 ( 0.000 0.224 6.752) 6.756 15.885 ( 0.000 13.855 5.837) 15.034 16.508 ( -0.000 -12.942 21.712) 25.277 16.647 ( 0.000 7.459 -10.478) 12.862 17.328 ( 0.000 9.689 -11.500) 15.037 18.211 ( 0.000 0.267 2.205) 2.221 18.429 ( 0.000 5.470 -16.830) 17.696 18.733 ( -0.000 -0.306 -9.591) 9.596 19.435 ( 0.000 2.524 5.993) 6.503 19.613 ( 0.000 0.631 0.954) 1.144 19.658 ( 0.000 1.354 9.529) 9.624 20.037 ( -0.000 -9.238 0.189) 9.239 20.869 ( -0.000 -0.208 0.468) 0.512 20.886 ( -0.000 -0.341 0.075) 0.349 20.950 ( 0.000 2.046 3.763) 4.283 21.217 ( 0.000 3.549 -2.685) 4.450 22.152 ( 0.000 0.297 4.117) 4.127 22.578 ( 0.000 0.165 -6.387) 6.389 23.186 ( 0.000 2.711 4.379) 5.150 23.780 ( 0.000 1.434 -9.549) 9.656 24.393 ( 0.000 0.456 2.956) 2.991 24.428 ( -0.000 -1.966 11.591) 11.757 24.672 ( 0.000 1.756 -2.850) 3.348 25.151 ( -0.000 -8.799 -5.208) 10.225 26.647 ( -0.000 -0.073 8.021) 8.022 27.375 ( -0.000 -4.259 -7.397) 8.535 ======================= Grid point 163 (62/93) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -0.000 -0.000 15.667) 15.667 4.379 ( -0.000 -0.000 -8.796) 8.796 4.475 ( -0.000 -0.000 -19.209) 19.209 4.603 ( -0.000 -0.000 -16.205) 16.205 5.428 ( -0.000 -0.000 7.145) 7.145 5.968 ( -0.000 -0.000 11.880) 11.880 6.025 ( -0.000 -0.000 2.502) 2.502 6.561 ( -0.000 -0.000 -4.031) 4.031 6.572 ( -0.000 -0.000 -9.183) 9.183 6.586 ( 0.000 0.000 5.502) 5.502 7.221 ( -0.000 -0.000 11.454) 11.454 7.459 ( -0.000 -0.000 3.629) 3.629 7.697 ( -0.000 -0.000 10.124) 10.124 8.072 ( -0.000 -0.000 -8.668) 8.668 8.762 ( -0.000 -0.000 10.864) 10.864 8.763 ( -0.000 -0.000 0.161) 0.161 8.820 ( -0.000 -0.000 -17.495) 17.495 8.860 ( -0.000 -0.000 15.758) 15.758 9.347 ( -0.000 -0.000 -4.628) 4.628 9.399 ( -0.000 -0.000 -7.047) 7.047 10.230 ( -0.000 -0.000 2.132) 2.132 10.595 ( -0.000 -0.000 9.037) 9.037 11.470 ( -0.000 -0.000 -1.935) 1.935 13.113 ( -0.000 -0.000 -35.940) 35.940 13.932 ( -0.000 -0.000 14.767) 14.767 14.346 ( -0.000 -0.000 -7.791) 7.791 14.438 ( -0.000 -0.000 12.613) 12.613 14.734 ( -0.000 -0.000 -4.357) 4.357 15.769 ( -0.000 -0.000 7.607) 7.607 16.090 ( -0.000 -0.000 7.223) 7.223 16.312 ( -0.000 -0.000 29.687) 29.687 16.735 ( -0.000 -0.000 -11.087) 11.087 17.450 ( -0.000 -0.000 -12.666) 12.666 18.214 ( -0.000 -0.000 1.636) 1.636 18.497 ( -0.000 -0.000 -18.036) 18.036 18.728 ( -0.000 -0.000 -9.958) 9.958 19.467 ( -0.000 -0.000 6.081) 6.081 19.620 ( -0.000 -0.000 1.398) 1.398 19.695 ( -0.000 -0.000 6.594) 6.594 19.905 ( -0.000 -0.000 2.531) 2.531 20.867 ( -0.000 -0.000 0.492) 0.492 20.882 ( -0.000 -0.000 0.105) 0.105 20.975 ( -0.000 -0.000 3.957) 3.957 21.264 ( -0.000 -0.000 -3.401) 3.401 22.150 ( -0.000 -0.000 3.719) 3.719 22.559 ( -0.000 -0.000 -6.069) 6.069 23.249 ( -0.000 -0.000 4.298) 4.298 23.786 ( -0.000 -0.000 -7.495) 7.495 24.399 ( -0.000 -0.000 3.133) 3.133 24.414 ( -0.000 -0.000 8.770) 8.770 24.694 ( -0.000 -0.000 -2.994) 2.994 25.038 ( -0.000 -0.000 -3.386) 3.386 26.647 ( -0.000 -0.000 6.943) 6.943 27.321 ( -0.000 -0.000 -7.013) 7.013 ======================= Grid point 210 (63/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 0.000 49.239) 49.239 2.327 ( 0.000 0.000 49.326) 49.326 3.195 ( 0.000 0.000 -8.425) 8.425 3.264 ( 0.000 0.000 -44.355) 44.355 4.055 ( 0.000 0.000 37.894) 37.894 5.292 ( 0.000 0.000 -50.252) 50.252 5.599 ( 0.000 0.000 1.490) 1.490 5.670 ( 0.000 0.000 -4.652) 4.652 6.434 ( 0.000 0.000 12.103) 12.103 6.472 ( 0.000 0.000 16.563) 16.563 6.623 ( 0.000 0.000 -7.491) 7.491 6.880 ( 0.000 0.000 -20.237) 20.237 8.368 ( 0.000 0.000 9.549) 9.549 8.652 ( 0.000 0.000 -16.589) 16.589 9.040 ( 0.000 0.000 18.779) 18.779 9.158 ( 0.000 0.000 11.320) 11.320 9.874 ( 0.000 0.000 2.441) 2.441 10.028 ( 0.000 0.000 -12.124) 12.124 10.275 ( 0.000 0.000 -0.297) 0.297 10.522 ( 0.000 0.000 -18.769) 18.769 10.968 ( 0.000 0.000 7.760) 7.760 11.133 ( 0.000 0.000 -6.915) 6.915 12.482 ( 0.000 0.000 4.661) 4.661 12.540 ( 0.000 0.000 -1.095) 1.095 13.930 ( 0.000 0.000 40.509) 40.509 14.601 ( 0.000 0.000 -20.663) 20.663 14.904 ( 0.000 0.000 0.962) 0.962 14.917 ( 0.000 0.000 19.524) 19.524 14.955 ( 0.000 0.000 -3.655) 3.655 15.521 ( 0.000 0.000 -32.878) 32.878 15.605 ( 0.000 0.000 3.525) 3.525 15.649 ( 0.000 0.000 -0.579) 0.579 18.071 ( 0.000 0.000 11.270) 11.270 18.339 ( 0.000 0.000 7.168) 7.168 18.340 ( 0.000 0.000 -12.185) 12.185 18.501 ( 0.000 0.000 -7.175) 7.175 19.335 ( 0.000 0.000 3.604) 3.604 19.410 ( 0.000 0.000 -3.097) 3.097 20.276 ( 0.000 0.000 2.549) 2.549 20.315 ( 0.000 0.000 -0.658) 0.658 20.794 ( 0.000 0.000 2.337) 2.337 20.842 ( 0.000 0.000 -1.953) 1.953 20.906 ( 0.000 0.000 0.709) 0.709 20.922 ( 0.000 0.000 -0.691) 0.691 22.043 ( 0.000 0.000 0.517) 0.517 22.049 ( 0.000 0.000 -0.134) 0.134 23.066 ( 0.000 0.000 22.038) 22.038 23.577 ( 0.000 0.000 -23.165) 23.165 24.393 ( 0.000 0.000 0.639) 0.639 24.408 ( 0.000 0.000 -0.726) 0.726 25.967 ( 0.000 0.000 5.103) 5.103 26.045 ( 0.000 0.000 -2.111) 2.111 26.973 ( 0.000 0.000 4.810) 4.810 27.088 ( 0.000 0.000 -5.279) 5.279 ======================= Grid point 211 (64/93) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 12.043 -0.005 43.710) 45.338 2.575 ( 23.706 -10.627 39.655) 47.407 3.384 ( 18.192 0.974 -27.996) 33.402 3.567 ( 26.756 -5.709 -38.399) 47.149 4.247 ( 17.555 -11.698 49.280) 53.605 5.305 ( 0.934 -1.387 -34.509) 34.550 5.656 ( 3.425 -2.895 1.235) 4.651 5.722 ( 1.768 -6.726 -5.282) 8.733 6.395 ( -0.370 2.805 11.336) 11.684 6.553 ( 5.126 -1.434 -4.755) 7.137 6.826 ( 24.223 0.822 4.240) 24.605 7.036 ( 16.263 -1.661 -13.779) 21.380 8.250 ( -6.127 5.747 8.848) 12.200 8.535 ( -11.989 0.991 -15.919) 19.954 8.926 ( -3.696 8.347 18.924) 21.010 9.158 ( -1.946 0.769 2.538) 3.290 9.759 ( -8.502 9.465 1.849) 12.857 9.901 ( -8.124 -1.057 -8.231) 11.613 10.364 ( 5.650 2.115 -3.149) 6.805 10.494 ( -2.114 0.567 -11.776) 11.978 10.948 ( -5.410 -4.188 7.562) 10.198 11.135 ( -5.400 -5.974 -8.726) 11.875 12.441 ( 0.286 7.792 5.508) 9.546 12.508 ( 0.884 3.964 -0.642) 4.112 13.940 ( -2.515 -5.997 38.802) 39.343 14.556 ( -5.042 1.115 -16.369) 17.164 14.817 ( -6.121 1.798 10.675) 12.436 14.966 ( 5.321 1.115 -1.849) 5.742 15.030 ( 4.971 -0.286 0.801) 5.044 15.368 ( -13.439 -5.070 -20.902) 25.361 15.662 ( 2.846 -4.295 3.581) 6.275 15.781 ( 6.049 -3.706 -10.135) 12.371 17.729 ( -28.150 3.210 8.802) 29.668 17.925 ( -30.662 3.720 -8.293) 31.981 18.449 ( 3.982 1.266 7.481) 8.569 18.632 ( 8.611 0.781 -8.797) 12.335 19.376 ( 3.319 0.039 5.974) 6.834 19.504 ( 7.176 0.858 -5.384) 9.012 20.329 ( 6.423 2.744 4.224) 8.162 20.377 ( 5.938 -1.581 -0.531) 6.168 20.794 ( 2.094 0.883 4.051) 4.645 20.859 ( 2.105 -3.049 -1.701) 4.077 20.983 ( 6.217 -0.167 0.554) 6.244 21.005 ( 6.512 -0.901 -1.209) 6.685 22.035 ( 1.948 0.998 4.021) 4.578 22.128 ( 1.355 -6.236 -4.692) 7.920 23.008 ( -5.951 -2.957 17.554) 18.770 23.439 ( -10.503 2.585 -19.645) 22.426 24.444 ( 3.149 -0.178 3.055) 4.391 24.503 ( 9.575 -0.303 -2.746) 9.965 25.890 ( 1.244 12.453 6.831) 14.258 26.009 ( 2.506 9.331 -4.111) 10.500 26.912 ( -2.900 1.881 10.195) 10.765 27.139 ( -3.597 -8.522 -10.884) 14.283 ======================= Grid point 212 (65/93) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 23.325 -7.376 32.705) 40.842 3.122 ( 19.112 -18.186 22.814) 34.878 3.692 ( 15.329 -2.066 -20.225) 25.462 4.092 ( 17.827 -10.494 -34.677) 40.378 4.942 ( 42.979 -7.094 30.202) 53.006 5.433 ( 15.969 1.492 -13.284) 20.826 5.727 ( 0.483 -0.879 4.857) 4.960 5.835 ( 1.708 -5.780 -5.037) 7.855 6.434 ( 5.775 -4.466 12.047) 14.086 6.686 ( 8.661 -1.950 -10.523) 13.768 7.307 ( 26.604 0.498 6.231) 27.329 7.482 ( 29.325 -6.743 -3.628) 30.308 8.123 ( -0.044 5.876 2.241) 6.289 8.285 ( -12.612 1.029 -7.665) 14.794 8.777 ( -3.120 5.445 13.175) 14.593 9.094 ( -0.489 4.722 -13.508) 14.318 9.485 ( -7.116 7.450 7.312) 12.634 9.759 ( -6.510 4.097 -12.358) 14.556 10.307 ( -4.655 6.951 0.120) 8.367 10.446 ( -3.266 4.512 -8.361) 10.047 10.885 ( -8.475 -7.121 7.963) 13.636 11.049 ( -11.486 -4.570 -6.815) 14.115 12.325 ( -0.314 11.402 10.429) 15.456 12.501 ( 4.097 5.937 -5.266) 8.932 13.976 ( -4.539 -7.766 30.735) 32.024 14.364 ( -12.480 5.936 -7.031) 15.506 14.694 ( -4.261 3.659 8.788) 10.429 14.989 ( 1.603 5.120 -4.258) 6.849 15.095 ( 1.516 -0.469 -6.073) 6.277 15.258 ( -10.056 -10.279 -15.674) 21.271 15.771 ( 2.046 -7.014 4.402) 8.530 15.927 ( 2.377 -9.276 -9.016) 13.153 17.174 ( -30.178 1.423 5.483) 30.705 17.293 ( -34.873 3.069 -5.101) 35.377 18.493 ( 2.817 1.118 9.999) 10.448 18.728 ( 4.355 1.237 -11.182) 12.064 19.406 ( 0.621 1.050 7.580) 7.678 19.561 ( 1.750 2.693 -6.123) 6.914 20.399 ( 6.461 4.201 8.140) 11.209 20.520 ( 8.094 0.256 -3.500) 8.822 20.853 ( 4.712 1.153 6.279) 7.935 20.959 ( 5.847 -0.514 -3.082) 6.630 21.109 ( 6.146 -1.334 1.313) 6.425 21.132 ( 6.767 -2.590 -0.682) 7.278 22.048 ( -0.321 1.531 6.511) 6.696 22.196 ( -0.576 -3.023 -6.153) 6.879 23.019 ( 0.593 -7.574 7.800) 10.889 23.282 ( -4.496 -2.548 -13.936) 14.863 24.488 ( 1.533 0.233 8.422) 8.564 24.656 ( 6.901 0.481 -7.181) 9.971 25.771 ( 3.662 13.724 8.316) 16.459 25.940 ( 4.773 12.070 -6.979) 14.737 26.845 ( -4.210 -0.544 12.462) 13.165 27.122 ( -6.711 -4.103 -12.642) 14.889 ======================= Grid point 213 (66/93) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 25.225 -9.967 25.695) 37.361 3.679 ( 18.375 -19.954 16.281) 31.636 3.968 ( 12.294 -6.199 -15.069) 20.412 4.381 ( 2.536 -12.121 -28.336) 30.924 5.471 ( 2.634 4.252 9.183) 10.457 5.658 ( -1.375 -0.589 -7.282) 7.434 5.848 ( 25.711 3.471 6.091) 26.650 6.040 ( 25.494 0.347 -10.327) 27.508 6.706 ( 10.793 -10.654 10.864) 18.655 6.888 ( 10.496 -6.011 -5.213) 13.171 7.680 ( 13.312 0.559 12.462) 18.243 8.011 ( 5.503 -2.726 16.015) 17.152 8.061 ( 13.258 5.494 -9.166) 17.029 8.222 ( 7.293 -5.430 1.838) 9.276 8.726 ( 2.375 1.606 7.386) 7.923 9.014 ( 0.240 6.805 -16.032) 17.418 9.499 ( 14.916 4.691 0.987) 15.667 9.623 ( 1.215 8.132 -6.885) 10.724 10.133 ( -2.927 6.213 -4.219) 8.060 10.247 ( -10.767 2.671 -11.302) 15.837 10.817 ( -10.774 -6.852 5.184) 13.780 10.882 ( -11.491 -4.245 -1.708) 12.369 12.158 ( -3.109 12.556 16.704) 21.127 12.477 ( 1.447 7.210 -11.521) 13.668 13.803 ( -19.671 5.986 11.446) 23.532 14.015 ( -18.536 7.232 -7.856) 21.392 14.662 ( 6.212 0.542 20.133) 21.077 14.946 ( -3.488 -0.252 5.595) 6.597 15.077 ( -4.353 -0.193 -8.499) 9.551 15.224 ( -5.943 -9.236 -16.804) 20.075 15.907 ( 3.079 -7.804 4.317) 9.435 16.067 ( 0.841 -9.125 -7.658) 11.943 16.710 ( -24.456 -0.374 0.602) 24.466 16.723 ( -24.951 -1.114 -0.083) 24.976 18.520 ( 1.866 1.252 10.233) 10.476 18.768 ( 2.119 1.311 -11.954) 12.211 19.386 ( -1.249 0.787 6.927) 7.083 19.525 ( -1.496 2.546 -5.464) 6.210 20.464 ( 6.427 3.544 9.599) 12.084 20.626 ( 5.816 2.485 -5.087) 8.117 20.904 ( 2.746 0.688 6.069) 6.697 21.038 ( 3.334 1.577 -5.341) 6.490 21.231 ( 6.265 -1.755 3.650) 7.461 21.293 ( 7.237 -2.880 -1.785) 7.991 21.974 ( -3.909 3.348 8.238) 9.714 22.167 ( -3.621 1.491 -8.628) 9.475 23.158 ( 3.951 -8.010 8.028) 12.009 23.384 ( 5.605 -10.053 -11.864) 16.530 24.490 ( -0.127 1.233 9.965) 10.042 24.706 ( 0.670 2.510 -9.521) 9.869 25.717 ( 5.922 9.306 8.718) 14.060 25.906 ( 5.731 9.392 -8.191) 13.716 26.775 ( -4.001 0.063 11.190) 11.884 27.021 ( -7.497 -0.663 -10.747) 13.120 ======================= Grid point 214 (67/93) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( 12.661 -6.572 21.970) 26.195 4.070 ( 7.524 -7.501 5.507) 11.967 4.381 ( 19.878 -12.624 -10.160) 25.646 4.591 ( 8.551 -13.247 -16.855) 23.080 5.274 ( -11.938 7.302 3.882) 14.522 5.469 ( -10.970 7.935 -12.921) 18.715 6.224 ( 14.891 1.186 10.407) 18.206 6.435 ( 12.701 -2.441 -7.625) 15.014 6.980 ( 7.621 -12.951 6.508) 16.376 7.191 ( 10.860 -7.871 -11.019) 17.358 7.687 ( 1.954 11.890 7.591) 14.241 7.852 ( -4.044 10.529 -1.044) 11.328 8.346 ( 7.738 -0.621 17.445) 19.094 8.575 ( 14.673 -10.436 5.321) 18.776 8.803 ( 2.826 -4.192 0.879) 5.132 8.995 ( 10.538 9.335 -9.374) 16.913 9.452 ( -5.565 9.157 11.681) 15.852 9.721 ( 3.665 3.799 -9.467) 10.840 10.093 ( 10.909 0.212 0.972) 10.955 10.333 ( 8.916 -7.146 -16.770) 20.292 10.708 ( -3.474 -5.494 0.696) 6.537 10.776 ( -6.441 -3.264 -2.617) 7.680 11.924 ( -7.578 9.937 22.946) 26.129 12.390 ( -1.622 6.226 -18.449) 19.539 13.291 ( -22.415 10.129 6.513) 25.445 13.552 ( -21.561 7.995 -15.424) 27.690 14.819 ( 9.429 4.847 14.228) 17.744 14.895 ( -3.207 -4.585 8.288) 9.999 15.004 ( -6.379 -7.633 1.589) 10.074 15.252 ( -1.446 -4.080 -10.101) 10.990 16.021 ( 1.923 -3.279 4.494) 5.886 16.180 ( 3.551 -4.551 -6.384) 8.606 16.340 ( -15.266 -0.076 3.254) 15.609 16.465 ( -12.513 -4.038 -5.737) 14.345 18.529 ( 0.787 1.035 9.903) 9.988 18.778 ( 0.785 1.006 -12.423) 12.488 19.358 ( -1.055 0.159 5.851) 5.948 19.473 ( -1.479 1.256 -4.452) 4.857 20.534 ( 4.938 1.890 9.301) 10.699 20.665 ( 1.996 2.018 -2.023) 3.485 20.946 ( 2.315 -0.362 1.417) 2.738 21.042 ( -0.068 1.880 -5.875) 6.169 21.354 ( 5.286 -1.303 4.288) 6.930 21.428 ( 4.571 -1.771 -1.930) 5.268 21.874 ( -2.917 2.134 7.518) 8.342 22.061 ( -4.460 2.987 -9.523) 10.932 23.317 ( 3.642 -6.138 12.955) 14.791 23.610 ( 5.853 -8.313 -12.992) 16.497 24.467 ( -0.479 1.277 7.856) 7.973 24.639 ( -2.616 4.189 -7.413) 8.908 25.748 ( 5.144 3.277 6.744) 9.093 25.910 ( 4.163 5.082 -7.595) 10.042 26.713 ( -2.282 0.703 8.728) 9.049 26.902 ( -5.607 0.411 -7.965) 9.749 ======================= Grid point 215 (68/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( 0.000 -0.000 16.989) 16.989 4.177 ( 0.000 0.000 -3.157) 3.157 4.747 ( -0.000 0.000 1.072) 1.072 4.833 ( 0.000 -0.000 0.062) 0.062 5.081 ( -0.000 0.000 -8.999) 8.999 5.194 ( 0.000 -0.000 -15.745) 15.745 6.331 ( 0.000 -0.000 11.561) 11.561 6.550 ( 0.000 -0.000 -7.315) 7.315 7.186 ( 0.000 -0.000 3.935) 3.935 7.314 ( 0.000 -0.000 -5.355) 5.355 7.600 ( 0.000 -0.000 7.626) 7.626 7.784 ( 0.000 0.000 -7.294) 7.294 8.381 ( 0.000 -0.000 13.623) 13.623 8.672 ( 0.000 -0.000 -10.404) 10.404 9.011 ( 0.000 -0.000 7.954) 7.954 9.027 ( -0.000 0.000 4.322) 4.322 9.317 ( 0.000 0.000 14.324) 14.324 9.682 ( 0.000 -0.000 -17.431) 17.431 10.318 ( -0.000 0.000 0.928) 0.928 10.367 ( 0.000 -0.000 -3.039) 3.039 10.745 ( 0.000 -0.000 0.313) 0.313 10.820 ( 0.000 -0.000 -3.804) 3.804 11.770 ( 0.000 -0.000 23.071) 23.071 12.319 ( 0.000 -0.000 -25.460) 25.460 12.997 ( 0.000 -0.000 6.382) 6.382 13.272 ( 0.000 -0.000 -16.601) 16.601 14.833 ( 0.000 0.000 4.701) 4.701 14.903 ( 0.000 -0.000 0.838) 0.838 15.051 ( -0.000 0.000 14.923) 14.923 15.252 ( 0.000 -0.000 -2.534) 2.534 16.066 ( 0.000 -0.000 7.545) 7.545 16.171 ( 0.000 -0.000 3.307) 3.307 16.312 ( 0.000 -0.000 -8.731) 8.731 16.335 ( 0.000 0.000 -7.869) 7.869 18.528 ( 0.000 -0.000 9.700) 9.700 18.778 ( 0.000 -0.000 -12.659) 12.659 19.348 ( 0.000 -0.000 5.453) 5.453 19.453 ( 0.000 -0.000 -3.982) 3.982 20.572 ( 0.000 -0.000 9.023) 9.023 20.666 ( 0.000 -0.000 -0.007) 0.007 20.980 ( 0.000 -0.000 -1.980) 1.980 21.017 ( -0.000 0.000 -4.847) 4.847 21.417 ( 0.000 -0.000 3.846) 3.846 21.477 ( 0.000 -0.000 -0.569) 0.569 21.840 ( 0.000 -0.000 5.420) 5.420 21.992 ( 0.000 -0.000 -8.974) 8.974 23.390 ( 0.000 -0.000 15.071) 15.071 23.720 ( 0.000 -0.000 -14.047) 14.047 24.455 ( 0.000 -0.000 5.836) 5.836 24.577 ( 0.000 0.000 -4.782) 4.782 25.780 ( 0.000 -0.000 5.184) 5.184 25.919 ( 0.000 -0.000 -6.907) 6.907 26.688 ( 0.000 -0.000 7.345) 7.345 26.845 ( 0.000 -0.000 -6.461) 6.461 ======================= Grid point 222 (69/93) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 21.816 0.000 33.040) 39.593 2.873 ( 20.836 0.000 30.982) 37.336 3.691 ( 12.015 0.000 -25.687) 28.358 3.951 ( 18.492 0.000 -36.556) 40.967 4.837 ( 52.556 0.000 40.962) 66.633 5.465 ( 12.636 0.000 -12.629) 17.865 5.718 ( 5.234 0.000 -0.381) 5.248 5.739 ( 9.903 0.000 -3.377) 10.463 6.394 ( -0.558 -0.000 11.015) 11.029 6.665 ( 8.098 0.000 -14.004) 16.177 7.333 ( 17.280 0.000 1.506) 17.346 7.371 ( 34.885 0.000 2.462) 34.972 8.229 ( 2.784 0.000 -3.120) 4.182 8.286 ( -15.866 -0.000 -10.631) 19.098 8.849 ( -7.554 -0.000 18.212) 19.717 9.143 ( -0.963 -0.000 -5.063) 5.154 9.626 ( -8.820 -0.000 -3.861) 9.628 9.757 ( -8.621 -0.000 -10.645) 13.698 10.413 ( -1.805 -0.000 -0.989) 2.058 10.467 ( -2.837 -0.000 -3.155) 4.242 10.804 ( -7.811 -0.000 6.314) 10.044 10.967 ( -10.743 -0.000 -6.765) 12.695 12.520 ( 1.606 0.000 4.149) 4.449 12.534 ( 1.071 0.000 2.601) 2.813 13.865 ( -1.619 -0.000 38.189) 38.224 14.476 ( -7.062 -0.000 -17.353) 18.734 14.679 ( -8.139 -0.000 10.963) 13.654 15.071 ( -12.958 -0.000 -18.326) 22.445 15.129 ( 7.046 0.000 -4.651) 8.442 15.141 ( 6.165 0.000 -1.751) 6.409 15.667 ( 0.222 0.000 3.230) 3.238 15.790 ( -1.995 -0.000 -9.252) 9.465 17.194 ( -32.396 -0.000 6.352) 33.013 17.332 ( -37.186 -0.000 -5.845) 37.643 18.507 ( 2.523 0.000 10.061) 10.373 18.744 ( 3.989 0.000 -11.229) 11.916 19.425 ( 1.058 0.000 8.691) 8.755 19.600 ( 1.914 0.000 -6.850) 7.112 20.459 ( 5.596 0.000 4.400) 7.118 20.514 ( 10.419 0.000 -1.170) 10.485 20.914 ( 8.695 0.000 2.899) 9.165 20.937 ( 8.793 0.000 1.984) 9.014 21.081 ( 2.986 0.000 0.520) 3.031 21.084 ( 5.298 0.000 -0.042) 5.298 22.076 ( 1.472 0.000 2.203) 2.649 22.141 ( 3.261 0.000 -3.529) 4.805 22.916 ( -0.523 -0.000 11.768) 11.780 23.256 ( -10.205 -0.000 -16.538) 19.434 24.489 ( 1.762 0.000 8.579) 8.758 24.662 ( 7.333 0.000 -7.797) 10.703 25.977 ( 0.620 0.000 7.845) 7.869 26.088 ( 0.890 0.000 -2.318) 2.483 26.863 ( -4.776 -0.000 4.851) 6.808 27.024 ( -3.052 -0.000 -9.897) 10.357 ======================= Grid point 223 (70/93) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 29.404 -2.151 23.696) 37.825 3.315 ( 23.460 -9.251 20.637) 32.585 3.906 ( 14.288 -0.586 -16.647) 21.946 4.184 ( 6.822 -4.147 -31.069) 32.078 5.499 ( 7.577 -1.116 8.157) 11.189 5.567 ( -0.034 -3.423 -0.151) 3.426 5.994 ( 31.344 6.043 6.361) 32.548 6.086 ( 23.276 1.597 -3.613) 23.609 6.475 ( 12.135 -7.104 17.363) 22.343 6.823 ( 9.751 -0.238 -9.923) 13.914 7.582 ( 9.109 -4.992 10.688) 14.904 7.895 ( 10.599 -4.248 -11.510) 16.213 8.075 ( 2.994 1.713 14.251) 14.663 8.357 ( 11.735 5.461 -7.199) 14.811 8.755 ( -1.252 1.008 10.070) 10.197 9.132 ( 1.530 2.318 -23.125) 23.291 9.587 ( 12.010 4.048 -1.018) 12.715 9.688 ( 1.227 -2.089 -8.266) 8.613 10.261 ( -11.491 5.624 0.813) 12.819 10.336 ( -12.732 0.873 -3.641) 13.272 10.693 ( -7.346 -2.031 3.311) 8.310 10.756 ( -15.038 -5.041 -2.291) 16.025 12.437 ( -2.350 9.999 10.090) 14.398 12.571 ( -0.489 -0.396 -2.082) 2.175 13.852 ( -3.470 -0.580 26.878) 27.107 14.236 ( -14.126 9.704 -10.390) 20.042 14.588 ( -6.081 -4.765 8.276) 11.321 14.837 ( -14.693 -7.307 -6.785) 17.757 15.183 ( 2.203 7.367 -3.260) 8.351 15.250 ( 7.620 8.204 -12.228) 16.580 15.678 ( -2.646 -8.859 2.032) 9.466 15.793 ( -3.901 -11.994 -7.125) 14.486 16.703 ( -21.949 0.366 2.762) 22.125 16.744 ( -26.998 0.782 -0.889) 27.024 18.542 ( 1.838 0.549 10.308) 10.485 18.787 ( 1.562 0.389 -11.646) 11.756 19.408 ( -1.937 0.759 8.582) 8.831 19.579 ( -2.535 1.456 -6.485) 7.113 20.545 ( 6.003 2.304 7.365) 9.777 20.678 ( 8.629 1.315 -4.948) 10.034 20.985 ( 3.516 6.248 8.011) 10.751 21.098 ( 6.958 3.270 -2.314) 8.029 21.151 ( 4.307 -5.054 3.524) 7.518 21.205 ( 6.444 -4.399 -1.092) 7.878 22.069 ( -0.877 3.754 4.928) 6.256 22.177 ( -0.007 -0.875 -3.793) 3.892 22.999 ( 4.920 -3.811 1.722) 6.457 23.162 ( -2.437 -6.819 -11.110) 13.261 24.502 ( -0.074 0.063 10.860) 10.861 24.736 ( 1.443 0.451 -10.646) 10.752 25.940 ( 1.569 7.526 9.325) 12.086 26.080 ( 1.105 3.544 -3.040) 4.798 26.779 ( -3.728 0.686 6.274) 7.330 26.976 ( -5.473 -2.381 -11.056) 12.565 ======================= Grid point 224 (71/93) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 22.171 -1.728 22.795) 31.846 3.886 ( 26.297 -9.049 10.539) 29.740 4.215 ( 20.633 -0.938 -15.626) 25.899 4.340 ( 6.310 -6.260 -23.099) 24.750 5.430 ( -6.920 4.364 6.083) 10.195 5.565 ( -4.442 -1.375 -5.801) 7.435 6.242 ( 6.387 0.346 4.588) 7.871 6.363 ( 8.938 -2.974 -6.272) 11.317 6.829 ( 10.956 2.225 12.057) 16.442 7.089 ( 18.272 -1.954 -8.456) 20.229 7.736 ( -2.535 -7.334 6.777) 10.303 7.868 ( -7.668 -8.413 1.167) 11.443 8.338 ( 13.232 -0.703 13.160) 18.675 8.461 ( 11.248 5.156 9.481) 15.588 8.771 ( 5.419 1.863 1.599) 5.949 9.183 ( 8.353 4.493 -21.121) 23.153 9.688 ( -5.158 10.398 7.349) 13.738 9.830 ( -0.862 4.666 -6.229) 7.830 10.054 ( -2.750 -3.210 -1.484) 4.480 10.194 ( 12.988 -1.973 -14.486) 19.556 10.573 ( -5.759 -7.845 2.141) 9.965 10.651 ( -6.306 -6.759 -2.580) 9.597 12.200 ( -9.867 12.671 17.125) 23.478 12.505 ( -5.265 2.581 -10.078) 11.659 13.592 ( -17.686 14.043 8.533) 24.142 13.802 ( -19.228 12.086 -10.276) 24.927 14.623 ( -1.340 -13.205 14.999) 20.028 14.760 ( -7.353 -10.953 2.630) 13.452 15.084 ( 1.531 9.965 -1.399) 10.179 15.234 ( 2.826 5.607 -11.177) 12.820 15.812 ( 0.270 -13.220 0.720) 13.243 15.902 ( -2.860 -14.786 -5.582) 16.061 16.407 ( -7.954 3.862 3.305) 9.439 16.476 ( -4.263 1.418 -2.559) 5.170 18.554 ( 0.498 0.977 9.858) 9.919 18.793 ( -0.281 0.347 -11.577) 11.585 19.363 ( -1.977 0.295 7.068) 7.346 19.508 ( -3.010 1.371 -5.650) 6.547 20.611 ( 5.450 3.516 8.517) 10.706 20.758 ( 4.033 4.901 -3.552) 7.273 20.962 ( 1.161 2.278 6.113) 6.626 21.105 ( 0.352 3.454 -5.422) 6.439 21.306 ( 5.907 -2.890 4.049) 7.723 21.364 ( 5.359 -3.660 -0.925) 6.555 21.973 ( -2.511 5.783 6.973) 9.401 22.144 ( -2.359 3.006 -7.859) 8.739 23.120 ( 2.351 -8.155 6.884) 10.929 23.335 ( 4.831 -13.353 -12.042) 18.618 24.487 ( -1.243 0.429 9.673) 9.762 24.706 ( -3.196 1.492 -10.163) 10.758 25.883 ( 1.892 7.236 9.739) 12.280 26.053 ( 1.735 5.222 -4.997) 7.433 26.719 ( -2.656 0.169 5.745) 6.332 26.887 ( -6.647 -1.444 -8.699) 11.042 ======================= Grid point 225 (72/93) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 11.184 3.611 17.767) 21.303 4.255 ( 12.936 4.490 -5.333) 14.695 4.542 ( 11.096 -6.377 -3.508) 13.270 4.695 ( 17.413 -10.464 -13.072) 24.158 5.224 ( -3.947 11.770 5.916) 13.752 5.445 ( -2.487 9.698 -12.376) 15.919 6.307 ( -2.260 -2.783 9.049) 9.733 6.478 ( 0.481 -5.684 -5.843) 8.166 6.982 ( 6.059 -7.493 10.821) 14.489 7.254 ( 0.443 -2.987 -9.849) 10.301 7.703 ( -9.483 0.672 3.106) 10.001 7.803 ( -6.284 -4.444 -3.637) 8.513 8.353 ( -4.650 1.723 13.624) 14.498 8.619 ( -2.724 -1.579 -5.667) 6.483 8.922 ( 8.994 -1.681 13.995) 16.721 9.180 ( -4.836 6.761 -3.080) 8.865 9.407 ( -8.085 6.558 8.076) 13.176 9.642 ( -4.348 -1.802 -15.426) 16.128 10.175 ( 2.031 -6.812 5.014) 8.699 10.290 ( -7.092 -4.236 -4.056) 9.203 10.754 ( 10.144 -5.465 0.725) 11.545 10.879 ( 18.432 0.030 -10.696) 21.311 11.837 ( -12.441 9.429 23.030) 27.822 12.356 ( -7.360 2.515 -22.773) 24.064 13.147 ( -8.288 12.247 6.716) 16.242 13.392 ( -8.525 8.443 -14.131) 18.538 14.707 ( -5.797 -9.153 11.255) 15.622 14.853 ( 0.928 -10.701 1.792) 10.889 15.076 ( 8.768 6.493 5.811) 12.362 15.251 ( 4.224 1.908 -4.920) 6.759 15.917 ( -3.148 -9.583 3.871) 10.804 16.033 ( 0.671 -10.362 -4.604) 11.359 16.328 ( 4.849 6.389 4.944) 9.422 16.502 ( 9.661 4.586 -8.443) 13.625 18.539 ( -0.890 0.795 9.364) 9.440 18.774 ( -1.687 -0.283 -11.758) 11.881 19.342 ( -0.506 -0.378 5.767) 5.802 19.459 ( -1.174 0.415 -4.645) 4.809 20.637 ( 1.865 4.674 9.067) 10.370 20.720 ( -0.214 4.336 1.824) 4.709 20.980 ( 1.610 0.076 -1.397) 2.133 21.048 ( -2.322 2.701 -5.632) 6.664 21.399 ( 1.239 -1.509 3.408) 3.927 21.455 ( 1.096 -1.886 -0.889) 2.355 21.887 ( -0.019 4.060 6.504) 7.667 22.056 ( -1.075 4.804 -9.155) 10.394 23.262 ( 0.834 -9.575 12.771) 15.984 23.557 ( 2.280 -12.143 -13.457) 18.268 24.456 ( -1.493 0.364 6.811) 6.982 24.613 ( -4.300 1.882 -7.061) 8.479 25.825 ( -1.459 4.065 8.500) 9.535 26.004 ( -0.890 5.435 -6.758) 8.718 26.681 ( -1.823 -0.352 5.428) 5.737 26.819 ( -2.333 -2.108 -6.361) 7.096 ======================= Grid point 226 (73/93) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( -2.138 9.555 15.938) 18.705 4.309 ( 4.714 11.842 -9.248) 15.748 4.614 ( -8.590 4.075 3.701) 10.202 4.845 ( -3.745 6.228 -9.676) 12.101 5.184 ( 11.523 2.431 3.083) 12.174 5.406 ( 11.557 6.272 -14.450) 19.537 6.204 ( -12.323 -0.377 11.052) 16.557 6.455 ( -10.989 -0.530 -10.845) 15.449 7.193 ( 3.637 -6.553 9.710) 12.266 7.352 ( -4.735 -10.994 2.612) 12.252 7.402 ( -10.402 5.863 1.230) 12.004 7.612 ( -14.367 -0.491 -12.575) 19.100 8.297 ( -4.512 -4.415 16.626) 17.784 8.561 ( -6.224 -8.713 -5.118) 11.868 8.886 ( -12.810 0.453 5.018) 13.766 8.974 ( -7.525 6.887 0.457) 10.211 9.284 ( -4.886 -5.363 10.751) 12.969 9.630 ( -7.857 -4.590 -15.801) 18.234 10.090 ( -13.699 0.642 9.118) 16.469 10.353 ( 0.076 -6.444 -10.990) 12.740 10.837 ( -0.209 7.166 4.429) 8.426 10.940 ( 4.372 7.822 -3.925) 9.782 11.751 ( 3.952 -3.349 20.097) 20.753 12.264 ( -1.815 -2.709 -25.697) 25.903 13.162 ( 17.179 -0.728 7.552) 18.780 13.442 ( 16.746 -2.796 -15.896) 23.258 14.677 ( -7.659 -5.806 15.202) 17.985 14.933 ( -0.551 -3.323 -6.378) 7.213 15.173 ( 8.243 6.003 9.433) 13.892 15.346 ( 10.819 4.520 -3.188) 12.151 15.969 ( -0.276 -5.063 5.696) 7.626 16.145 ( 1.964 -4.304 -7.006) 8.453 16.424 ( 15.249 6.175 7.576) 18.112 16.646 ( 14.009 7.236 -9.665) 18.494 18.513 ( -1.562 -0.233 9.222) 9.356 18.748 ( -2.291 -1.404 -11.932) 12.231 19.351 ( 0.840 -0.476 5.325) 5.412 19.456 ( 0.595 -0.380 -4.101) 4.161 20.549 ( -5.325 3.090 10.277) 11.980 20.679 ( -1.104 2.890 -1.163) 3.305 20.961 ( -2.927 0.778 -1.009) 3.192 21.017 ( 0.538 -0.216 -5.286) 5.318 21.371 ( -4.929 0.097 3.775) 6.209 21.444 ( -3.953 -0.366 -2.114) 4.498 21.880 ( 3.278 2.299 6.415) 7.562 22.042 ( 4.324 1.860 -8.816) 9.994 23.337 ( -2.338 -4.653 14.555) 15.458 23.656 ( -3.394 -4.914 -13.643) 14.893 24.436 ( -1.114 -0.942 5.571) 5.759 24.557 ( -0.847 -1.708 -4.977) 5.330 25.722 ( -7.431 0.615 6.539) 9.918 25.885 ( -6.778 2.830 -7.706) 10.645 26.683 ( 1.204 -1.655 8.534) 8.776 26.867 ( 4.189 -2.478 -7.645) 9.063 ======================= Grid point 227 (74/93) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( -17.246 15.927 19.730) 30.666 4.102 ( -13.519 14.414 -13.405) 23.879 4.284 ( -6.578 20.223 10.437) 23.690 4.687 ( -0.844 12.569 -15.892) 20.279 5.365 ( 0.164 -3.179 4.277) 5.331 5.534 ( -0.471 -5.950 -9.174) 10.944 5.912 ( -13.233 5.596 2.988) 14.675 6.074 ( -24.897 3.442 -10.605) 27.279 6.951 ( -13.076 9.658 5.899) 17.293 7.085 ( -13.735 9.784 -5.135) 17.628 7.485 ( -0.616 -14.000 12.746) 18.943 7.765 ( 1.091 -13.070 -8.594) 15.680 8.143 ( -12.704 2.436 23.234) 26.592 8.413 ( -18.506 1.661 -1.150) 18.616 8.669 ( -6.731 -1.788 4.845) 8.484 8.911 ( 0.856 -0.685 -13.428) 13.472 9.301 ( -5.448 -12.522 9.651) 16.722 9.440 ( -12.191 -3.845 0.653) 12.800 9.942 ( -2.890 -6.830 0.622) 7.442 10.283 ( -4.679 2.578 -23.531) 24.130 10.865 ( 5.417 -3.884 6.519) 9.323 10.990 ( 8.392 4.919 -4.136) 10.570 11.909 ( 5.547 -7.171 17.895) 20.061 12.307 ( -0.746 -5.519 -17.804) 18.654 13.626 ( 26.050 -7.683 7.959) 28.302 13.875 ( 22.078 -6.588 -13.003) 26.456 14.577 ( -9.636 -3.783 20.807) 23.240 14.940 ( -2.069 -2.119 -10.049) 10.476 15.216 ( 8.002 9.898 9.754) 16.036 15.472 ( 12.570 10.100 -8.971) 18.453 15.998 ( -0.490 0.771 6.417) 6.482 16.204 ( 3.662 3.301 -8.938) 10.207 16.716 ( 23.152 1.683 4.538) 23.653 16.837 ( 19.037 6.389 -5.255) 20.757 18.491 ( -2.028 -1.117 9.440) 9.720 18.726 ( -2.882 -2.168 -11.655) 12.200 19.377 ( 1.593 -0.085 5.326) 5.560 19.481 ( 1.117 -1.099 -4.097) 4.386 20.415 ( -7.866 -0.471 10.885) 13.438 20.596 ( -5.793 0.359 -5.312) 7.868 20.913 ( -1.714 0.663 3.255) 3.738 21.019 ( -0.863 -0.173 -5.755) 5.822 21.254 ( -7.445 0.576 4.000) 8.472 21.334 ( -7.882 0.678 -2.974) 8.452 21.944 ( 5.913 0.946 8.388) 10.306 22.136 ( 6.414 -0.448 -9.181) 11.208 23.289 ( -4.340 1.976 11.981) 12.894 23.559 ( -7.168 3.766 -12.156) 14.606 24.444 ( -0.253 -2.361 7.875) 8.225 24.611 ( 0.786 -4.939 -7.008) 8.610 25.566 ( -11.425 -3.523 6.738) 13.724 25.735 ( -10.231 -3.900 -8.435) 13.822 26.756 ( 4.437 -1.614 11.700) 12.617 27.001 ( 7.474 -2.217 -10.157) 12.804 ======================= Grid point 228 (75/93) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -19.578 18.959 25.082) 37.039 3.593 ( -19.789 19.156 -1.877) 27.606 3.870 ( -19.962 14.295 0.993) 24.573 4.372 ( -22.482 12.241 -25.869) 36.393 5.094 ( -21.050 5.620 14.354) 26.091 5.418 ( -11.268 -0.184 -12.139) 16.564 5.763 ( 5.195 2.997 5.806) 8.347 5.947 ( 6.807 4.572 -10.006) 12.937 6.612 ( -12.805 8.840 9.693) 18.333 6.777 ( -12.420 6.381 -5.464) 14.994 7.328 ( -25.300 2.123 11.160) 27.734 7.564 ( -27.420 -1.912 -5.036) 27.944 8.052 ( 1.031 0.150 13.380) 13.421 8.254 ( 3.825 -1.743 2.908) 5.111 8.640 ( -1.132 -5.413 0.519) 5.554 8.934 ( -2.520 -7.446 -15.850) 17.692 9.328 ( 2.126 -6.279 10.472) 12.394 9.558 ( 7.578 -11.219 -5.133) 14.479 10.106 ( 6.843 -11.356 -1.194) 13.312 10.278 ( -0.669 -7.302 -14.853) 16.564 11.032 ( 4.589 -4.112 2.869) 6.797 11.061 ( 6.645 1.573 -0.265) 6.833 12.080 ( 3.325 -8.159 10.592) 13.777 12.333 ( -3.987 -5.881 -11.442) 13.468 14.108 ( 17.977 -0.708 12.103) 21.682 14.247 ( 13.669 -2.503 0.006) 13.896 14.516 ( -0.909 -8.383 14.170) 16.489 14.914 ( -3.425 -1.930 -13.192) 13.765 15.221 ( 5.538 9.811 10.123) 15.146 15.542 ( 11.189 12.787 -13.899) 21.952 15.929 ( -2.423 5.937 6.044) 8.812 16.152 ( -1.611 9.366 -11.999) 15.307 17.135 ( 23.908 -2.331 4.357) 24.414 17.231 ( 29.747 -0.596 -4.027) 30.024 18.463 ( -2.984 -1.308 9.409) 9.957 18.689 ( -4.525 -2.057 -10.886) 11.967 19.399 ( 1.003 0.590 5.457) 5.579 19.509 ( -0.139 -1.391 -4.295) 4.517 20.300 ( -7.929 -3.709 11.418) 14.388 20.489 ( -7.333 -2.134 -6.044) 9.739 20.873 ( -1.420 1.981 4.947) 5.514 20.983 ( -2.598 1.325 -4.678) 5.513 21.118 ( -7.555 -0.144 2.703) 8.025 21.176 ( -8.590 1.048 -2.171) 8.922 22.036 ( 4.959 0.967 9.654) 10.896 22.240 ( 4.945 0.846 -8.250) 9.656 23.186 ( -1.317 5.222 6.314) 8.299 23.383 ( -4.446 5.642 -10.963) 13.107 24.466 ( -0.616 -1.750 8.343) 8.547 24.632 ( -4.237 -1.872 -6.748) 8.185 25.457 ( -10.083 -11.371 8.312) 17.322 25.648 ( -9.057 -10.872 -9.024) 16.783 26.855 ( 5.174 -0.376 14.410) 15.316 27.157 ( 7.852 -0.921 -12.712) 14.970 ======================= Grid point 229 (76/93) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -12.223 15.905 35.364) 40.657 2.928 ( -29.518 18.005 30.007) 45.781 3.428 ( -12.740 5.952 -31.193) 34.217 3.730 ( -30.784 7.733 -34.815) 47.111 4.689 ( -6.766 22.229 38.228) 44.736 5.382 ( 6.841 4.627 -21.450) 22.985 5.780 ( 0.185 6.818 7.710) 10.294 5.938 ( 0.827 10.003 -6.314) 11.858 6.372 ( -4.830 3.264 9.144) 10.844 6.563 ( -5.424 -0.815 -6.856) 8.780 6.835 ( -24.506 2.677 5.199) 25.194 7.090 ( -20.906 2.370 -14.619) 25.620 8.119 ( 3.656 -3.321 13.788) 14.646 8.451 ( 10.005 -7.499 1.284) 12.569 8.693 ( -2.670 -7.733 -0.040) 8.181 9.036 ( 2.114 -9.826 -13.400) 16.750 9.522 ( 5.208 -10.348 14.330) 18.427 9.822 ( 10.644 -6.473 -6.468) 14.037 10.266 ( -4.524 -5.933 -2.713) 7.939 10.405 ( 4.755 -8.382 -9.919) 13.829 11.069 ( 3.066 3.156 6.103) 7.524 11.222 ( 5.688 -3.200 -7.350) 9.829 12.213 ( 0.700 -8.767 4.860) 10.048 12.337 ( -3.390 -8.103 -5.356) 10.288 14.154 ( 2.627 10.288 30.359) 32.162 14.532 ( 11.648 -2.895 -3.892) 12.618 14.689 ( 4.397 -6.848 2.257) 8.445 14.878 ( -3.882 -4.024 -10.026) 11.479 15.163 ( 0.731 9.796 13.236) 16.483 15.584 ( 11.360 11.925 -17.318) 23.899 15.800 ( -3.156 6.767 2.540) 7.887 15.951 ( -7.371 10.205 -12.723) 17.898 17.601 ( 21.730 -7.180 8.040) 24.256 17.781 ( 26.208 -6.844 -7.824) 28.195 18.413 ( -4.706 -1.395 8.093) 9.465 18.607 ( -7.136 -1.115 -9.243) 11.730 19.389 ( -1.010 1.337 5.039) 5.310 19.491 ( -2.846 0.226 -4.051) 4.956 20.229 ( -6.145 -5.178 11.341) 13.900 20.399 ( -4.936 -0.790 -4.983) 7.058 20.827 ( 0.320 2.975 4.919) 5.757 20.918 ( -1.546 1.936 -2.997) 3.888 20.993 ( -7.005 0.296 1.158) 7.106 21.028 ( -6.643 1.244 -1.638) 6.955 22.062 ( 0.649 3.020 10.432) 10.880 22.269 ( 1.947 4.666 -7.621) 9.145 23.131 ( 2.819 6.551 5.054) 8.741 23.358 ( 3.894 -2.831 -13.095) 13.952 24.447 ( -2.812 -0.024 3.949) 4.847 24.521 ( -7.151 1.222 -2.872) 7.803 25.488 ( -6.439 -18.311 10.619) 22.125 25.690 ( -3.774 -14.804 -8.151) 17.316 26.928 ( 3.434 1.246 16.405) 16.807 27.272 ( 5.282 1.923 -14.830) 15.860 ======================= Grid point 230 (77/93) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.000 6.302 46.634) 47.058 2.412 ( 0.000 14.310 42.034) 44.403 3.299 ( 0.000 5.635 -32.999) 33.476 3.317 ( 0.000 4.421 -39.443) 39.690 4.345 ( 0.000 23.686 48.488) 53.964 5.407 ( 0.000 7.279 -37.667) 38.364 5.669 ( 0.000 6.507 4.840) 8.110 5.797 ( 0.000 10.012 -7.116) 12.284 6.376 ( -0.000 -3.131 11.496) 11.915 6.488 ( 0.000 1.622 15.483) 15.568 6.612 ( -0.000 -1.147 -10.611) 10.673 6.882 ( 0.000 0.248 -19.882) 19.884 8.227 ( -0.000 -7.548 13.368) 15.351 8.640 ( -0.000 -1.450 -22.994) 23.039 8.782 ( -0.000 -16.029 24.577) 29.343 9.159 ( -0.000 -5.134 -4.748) 6.993 9.689 ( -0.000 -10.944 12.521) 16.630 10.032 ( -0.000 -2.690 -15.320) 15.554 10.211 ( -0.000 -4.384 6.794) 8.085 10.515 ( -0.000 -2.162 -16.160) 16.304 11.057 ( 0.000 5.002 7.420) 8.949 11.266 ( 0.000 5.205 -11.331) 12.469 12.326 ( -0.000 -10.520 5.122) 11.701 12.421 ( -0.000 -9.042 -3.062) 9.546 14.061 ( 0.000 9.594 36.019) 37.275 14.632 ( 0.000 3.583 -15.807) 16.208 14.786 ( -0.000 -7.493 4.696) 8.843 14.909 ( -0.000 -5.025 -6.377) 8.119 15.044 ( 0.000 9.086 17.829) 20.011 15.638 ( 0.000 9.961 -31.935) 33.453 15.690 ( 0.000 6.136 1.878) 6.417 15.714 ( 0.000 5.471 -0.265) 5.477 17.941 ( -0.000 -9.680 10.454) 14.247 18.186 ( -0.000 -10.961 -10.998) 15.528 18.340 ( 0.000 0.076 7.406) 7.406 18.512 ( 0.000 0.773 -7.756) 7.794 19.352 ( 0.000 1.496 4.118) 4.381 19.435 ( 0.000 1.969 -3.240) 3.791 20.226 ( -0.000 -4.358 8.560) 9.605 20.344 ( 0.000 1.844 -3.060) 3.573 20.814 ( 0.000 3.170 4.965) 5.890 20.903 ( -0.000 -0.252 0.672) 0.718 20.915 ( 0.000 3.833 -4.084) 5.601 20.918 ( -0.000 -0.349 -0.622) 0.713 22.025 ( 0.000 2.288 8.982) 9.268 22.207 ( 0.000 7.653 -7.652) 10.822 23.111 ( 0.000 3.896 12.652) 13.238 23.484 ( -0.000 -6.738 -18.683) 19.861 24.397 ( 0.000 0.566 1.569) 1.667 24.433 ( 0.000 1.812 -1.643) 2.446 25.665 ( -0.000 -20.466 10.574) 23.036 25.835 ( -0.000 -14.567 -5.792) 15.676 26.940 ( 0.000 1.559 16.037) 16.113 27.272 ( 0.000 6.389 -14.777) 16.099 ======================= Grid point 233 (78/93) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 22.611 0.000 14.070) 26.631 3.737 ( 34.809 0.000 11.832) 36.765 4.229 ( 23.047 0.000 -12.788) 26.358 4.285 ( 7.681 0.000 -21.039) 22.397 5.476 ( -3.942 -0.000 3.730) 5.427 5.502 ( -3.201 -0.000 0.526) 3.244 6.250 ( -0.386 -0.000 2.400) 2.431 6.323 ( 4.652 0.000 -4.615) 6.553 6.987 ( 35.233 0.000 6.717) 35.867 7.005 ( 8.328 0.000 5.120) 9.776 7.601 ( -3.037 -0.000 4.431) 5.372 7.709 ( -13.966 -0.000 -5.414) 14.979 8.359 ( 13.774 0.000 17.172) 22.014 8.525 ( 5.902 0.000 14.301) 15.471 8.834 ( 8.269 0.000 -8.557) 11.900 9.213 ( 5.723 0.000 -26.151) 26.770 9.837 ( 10.488 0.000 3.567) 11.078 9.910 ( 1.078 0.000 -4.242) 4.377 10.010 ( -9.917 -0.000 4.607) 10.935 10.198 ( 10.220 0.000 -11.144) 15.121 10.418 ( -13.919 -0.000 2.471) 14.136 10.553 ( -11.051 -0.000 -5.998) 12.573 12.421 ( -9.298 -0.000 7.554) 11.980 12.484 ( -6.201 -0.000 1.577) 6.399 13.810 ( -4.886 -0.000 13.713) 14.558 13.998 ( -22.934 -0.000 -5.853) 23.669 14.443 ( -5.173 -0.000 3.811) 6.425 14.531 ( -10.848 -0.000 -2.198) 11.068 15.288 ( -0.467 -0.000 0.634) 0.788 15.422 ( 0.323 0.000 -11.021) 11.026 15.534 ( -0.635 -0.000 3.495) 3.552 15.647 ( 3.965 0.000 -6.449) 7.570 16.466 ( -5.645 -0.000 1.333) 5.801 16.483 ( -4.368 -0.000 -0.226) 4.374 18.567 ( 0.484 0.000 9.643) 9.655 18.797 ( -0.664 -0.000 -11.024) 11.044 19.368 ( -2.579 -0.000 7.752) 8.170 19.525 ( -3.863 -0.000 -6.031) 7.162 20.655 ( 4.986 0.000 8.166) 9.568 20.824 ( 6.463 0.000 -7.043) 9.559 21.027 ( -3.155 -0.000 10.738) 11.192 21.161 ( 1.267 0.000 -1.911) 2.293 21.270 ( 5.923 0.000 0.859) 5.985 21.279 ( 8.049 0.000 0.200) 8.051 22.082 ( -1.887 -0.000 4.681) 5.047 22.160 ( -0.392 -0.000 -2.129) 2.165 23.054 ( -2.377 -0.000 -3.078) 3.889 23.103 ( 7.008 0.000 -8.162) 10.758 24.491 ( -1.187 -0.000 10.298) 10.366 24.721 ( -3.111 -0.000 -10.806) 11.245 25.996 ( -0.344 -0.000 9.779) 9.786 26.106 ( 0.655 0.000 -0.357) 0.746 26.726 ( -2.552 -0.000 2.385) 3.493 26.861 ( -6.789 -0.000 -9.447) 11.634 ======================= Grid point 234 (79/93) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( 16.069 0.873 9.679) 18.779 4.274 ( 16.735 -1.759 -9.733) 19.440 4.498 ( 21.700 0.628 -0.802) 21.724 4.636 ( 23.456 3.883 -8.370) 25.205 5.419 ( 1.592 4.522 3.324) 5.834 5.510 ( 2.670 -3.284 -4.533) 6.202 6.234 ( -1.417 -1.561 5.137) 5.553 6.347 ( -2.092 -3.865 -4.817) 6.521 6.987 ( -3.511 5.618 13.892) 15.391 7.274 ( -8.936 4.125 -8.066) 12.725 7.545 ( 0.392 -9.906 -0.831) 9.949 7.560 ( -11.380 -10.935 0.098) 15.782 8.474 ( 0.699 4.567 11.034) 11.962 8.622 ( 2.995 0.477 5.377) 6.174 8.957 ( 4.144 3.397 5.550) 7.715 9.268 ( -4.462 0.552 -7.439) 8.692 9.566 ( -19.308 5.252 2.531) 20.169 9.632 ( -9.568 -0.137 -6.448) 11.539 10.119 ( -1.500 3.650 3.924) 5.565 10.247 ( -12.263 0.026 -3.914) 12.873 10.499 ( 16.032 -12.775 4.090) 20.903 10.763 ( 25.275 -5.863 -16.767) 30.892 12.156 ( -8.747 13.092 11.661) 19.593 12.382 ( -6.817 -1.909 -7.763) 10.507 13.469 ( -20.126 11.247 2.452) 23.185 13.585 ( -18.275 6.516 -7.121) 20.667 14.467 ( 2.784 -7.480 6.643) 10.384 14.539 ( -0.046 -12.667 1.004) 12.706 15.244 ( 5.195 6.801 4.087) 9.483 15.376 ( 3.898 5.772 -6.752) 9.700 15.680 ( 5.544 -8.234 6.428) 11.826 15.829 ( 7.768 -6.584 -5.398) 11.525 16.461 ( 6.593 4.539 1.635) 8.169 16.537 ( 8.333 -1.223 -4.506) 9.552 18.557 ( -1.291 0.508 8.694) 8.804 18.767 ( -2.704 -0.216 -10.314) 10.665 19.336 ( -0.931 -0.116 6.142) 6.213 19.467 ( -2.313 0.181 -5.254) 5.743 20.716 ( 2.639 1.441 8.386) 8.909 20.856 ( -0.577 5.953 0.403) 5.994 20.968 ( -1.729 -1.497 4.365) 4.928 21.139 ( -1.186 3.994 -6.385) 7.624 21.351 ( 1.657 -2.227 2.706) 3.877 21.399 ( 3.008 -2.077 -0.998) 3.790 22.009 ( -1.343 5.007 6.870) 8.606 22.157 ( 0.613 2.257 -6.280) 6.701 23.056 ( 0.024 -5.201 6.073) 7.996 23.268 ( 4.000 -9.570 -12.549) 16.280 24.466 ( -1.426 0.256 7.570) 7.708 24.641 ( -5.261 0.570 -8.406) 9.932 25.934 ( -4.243 3.663 10.998) 12.344 26.097 ( -1.584 1.788 -2.766) 3.655 26.691 ( -1.640 1.447 -0.217) 2.198 26.757 ( -4.576 -2.795 -5.609) 7.759 ======================= Grid point 235 (80/93) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( 3.285 5.326 8.290) 10.387 4.417 ( 1.515 -2.195 -16.121) 16.340 4.804 ( 16.203 12.555 3.068) 20.726 4.898 ( 12.272 4.422 -5.618) 14.203 5.427 ( 7.544 12.402 6.273) 15.813 5.610 ( 7.655 6.665 -8.762) 13.408 6.205 ( -4.855 0.466 8.585) 9.874 6.405 ( 0.795 -4.338 -8.486) 9.563 6.860 ( -12.867 -12.415 8.918) 19.981 7.042 ( -13.020 -13.167 -4.259) 19.000 7.411 ( -12.597 -4.574 11.644) 17.753 7.703 ( 0.437 -1.979 -12.230) 12.397 8.295 ( -8.060 7.666 10.572) 15.346 8.483 ( -14.211 2.461 -3.286) 14.792 8.881 ( -9.167 -0.633 11.251) 14.526 9.062 ( -14.408 -0.337 2.146) 14.571 9.209 ( -16.929 -0.035 4.325) 17.473 9.533 ( -13.421 -3.740 -17.152) 22.097 10.090 ( -3.370 -1.398 3.045) 4.752 10.169 ( 4.843 -5.748 -2.495) 7.920 10.884 ( 6.092 -5.064 5.549) 9.672 10.980 ( -5.781 -3.414 -1.371) 6.853 11.926 ( 5.556 17.986 12.176) 22.420 12.324 ( 2.645 6.157 -21.939) 22.940 13.193 ( -1.041 -0.558 2.576) 2.834 13.338 ( -2.152 -4.962 -9.008) 10.507 14.568 ( 0.455 -3.194 10.763) 11.236 14.740 ( 4.043 -10.164 -3.037) 11.352 15.332 ( 12.757 6.907 5.836) 15.636 15.455 ( 12.075 4.128 -4.300) 13.466 15.861 ( 7.252 -3.517 7.522) 11.025 16.039 ( 9.103 -4.459 -5.506) 11.535 16.574 ( 13.471 6.012 4.896) 15.543 16.738 ( 13.118 0.659 -7.749) 15.250 18.516 ( -2.439 0.399 8.027) 8.399 18.718 ( -3.610 -1.102 -10.247) 10.920 19.340 ( 0.951 -0.392 4.991) 5.096 19.448 ( -0.046 -0.334 -4.481) 4.494 20.650 ( -7.332 4.376 11.352) 14.205 20.770 ( -0.381 4.431 2.007) 4.879 20.959 ( -3.569 -1.620 -1.434) 4.173 21.053 ( -1.561 3.558 -6.975) 7.984 21.356 ( -3.751 -1.448 2.630) 4.805 21.420 ( -2.918 -1.277 -2.375) 3.973 21.963 ( 2.881 4.410 7.632) 9.273 22.139 ( 3.290 5.213 -8.489) 10.491 23.153 ( 0.359 -8.894 11.934) 14.888 23.439 ( 1.090 -11.009 -13.508) 17.460 24.438 ( -1.097 0.795 4.540) 4.738 24.547 ( -4.173 0.173 -5.203) 6.672 25.767 ( -10.387 2.664 10.484) 14.997 25.974 ( -9.479 3.330 -7.134) 12.322 26.653 ( 0.035 -0.558 5.284) 5.314 26.798 ( 3.807 -2.987 -6.947) 8.466 ======================= Grid point 236 (81/93) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( -9.029 13.168 10.876) 19.318 4.345 ( -10.063 4.673 -20.286) 23.123 4.788 ( 3.228 22.614 10.121) 24.985 4.940 ( 1.605 9.522 -5.529) 11.127 5.339 ( -6.338 1.118 4.211) 7.691 5.534 ( -6.909 6.063 -9.920) 13.524 6.064 ( -3.767 7.865 4.623) 9.870 6.227 ( -12.333 8.914 -8.657) 17.508 6.961 ( -4.429 -16.371 9.880) 19.628 7.070 ( -8.150 -10.319 1.734) 13.264 7.340 ( -1.616 0.196 4.649) 4.926 7.588 ( 2.407 3.681 -13.361) 14.067 8.102 ( -16.555 -2.006 13.981) 21.762 8.287 ( -12.878 -7.171 -1.462) 14.812 8.646 ( -12.831 -2.388 8.024) 15.321 8.862 ( -9.907 -6.382 -7.378) 13.903 9.051 ( -5.681 -6.906 11.518) 14.582 9.349 ( -12.181 -5.972 -8.883) 16.216 9.964 ( -9.164 7.649 8.381) 14.585 10.280 ( -1.679 -2.611 -14.087) 14.425 10.721 ( -11.449 -6.288 11.452) 17.371 11.009 ( -3.003 -4.340 -11.072) 12.265 11.904 ( 7.905 7.755 15.450) 19.008 12.304 ( 3.399 6.240 -20.767) 21.949 13.433 ( 17.953 -10.582 5.651) 21.592 13.625 ( 16.128 -14.727 -10.480) 24.225 14.563 ( -1.023 2.392 15.675) 15.889 14.852 ( -0.373 -4.203 -9.365) 10.272 15.460 ( 12.076 10.014 10.370) 18.805 15.663 ( 16.279 5.817 -4.566) 17.880 16.006 ( 6.904 0.781 6.155) 9.282 16.245 ( 11.266 0.538 -9.696) 14.873 16.787 ( 17.425 3.706 7.137) 19.191 16.963 ( 16.573 3.728 -7.018) 18.380 18.472 ( -2.607 -0.453 7.883) 8.315 18.674 ( -3.631 -2.132 -10.433) 11.251 19.374 ( 2.436 -0.243 4.378) 5.016 19.465 ( 1.225 -0.519 -3.851) 4.074 20.440 ( -11.059 2.373 12.002) 16.492 20.645 ( -8.844 3.424 -5.894) 11.166 20.915 ( -1.472 -0.678 3.354) 3.725 21.023 ( -0.705 0.288 -5.599) 5.651 21.265 ( -7.010 0.265 3.102) 7.670 21.336 ( -7.155 -0.049 -2.988) 7.754 22.001 ( 6.218 3.266 7.198) 10.057 22.171 ( 6.350 3.452 -8.580) 11.219 23.239 ( -0.867 -5.442 13.154) 14.262 23.532 ( -2.342 -5.593 -12.906) 14.259 24.411 ( -0.860 0.092 4.937) 5.012 24.522 ( -0.054 -2.307 -4.776) 5.304 25.526 ( -15.300 -0.365 8.540) 17.526 25.719 ( -15.218 1.324 -8.325) 17.397 26.712 ( 4.399 -1.793 10.003) 11.074 26.932 ( 7.009 -3.200 -9.488) 12.222 ======================= Grid point 237 (82/93) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( -12.872 21.531 14.174) 28.813 3.980 ( -17.358 14.606 -16.395) 27.990 4.263 ( -32.812 15.220 13.268) 38.527 4.651 ( -25.486 12.277 -17.038) 33.023 5.211 ( -2.739 4.470 5.272) 7.435 5.411 ( 0.368 0.129 -10.545) 10.552 5.915 ( 6.025 11.345 7.287) 14.768 6.124 ( 9.096 10.244 -9.621) 16.741 6.776 ( -15.070 4.960 8.395) 17.950 6.948 ( -12.006 5.739 -5.953) 14.578 7.327 ( -6.841 -3.746 11.017) 13.499 7.489 ( -21.795 0.143 -2.389) 21.926 7.982 ( -9.099 -7.160 9.383) 14.903 8.163 ( 4.969 -8.968 -3.457) 10.820 8.538 ( -8.543 -1.769 8.040) 11.865 8.831 ( -4.586 -3.843 -4.473) 7.470 9.156 ( 2.324 -9.002 8.024) 12.281 9.328 ( 5.364 -7.620 -0.991) 9.371 9.809 ( -2.010 -9.333 4.381) 10.504 10.187 ( -7.436 -0.679 -22.404) 23.616 10.748 ( -3.340 -15.287 11.036) 19.148 11.016 ( -4.299 -7.853 -11.750) 14.772 11.982 ( 5.258 -0.144 12.715) 13.760 12.286 ( -0.693 1.527 -14.534) 14.630 13.925 ( 20.442 -11.815 6.135) 24.395 14.092 ( 16.971 -12.584 -8.207) 22.665 14.498 ( -0.057 5.856 19.816) 20.663 14.858 ( -2.932 -2.693 -12.282) 12.911 15.507 ( 9.168 13.092 14.742) 21.743 15.820 ( 12.113 10.422 -7.464) 17.636 16.054 ( 2.355 5.188 4.661) 7.361 16.353 ( 4.771 7.648 -15.198) 17.670 17.078 ( 17.423 -1.795 9.712) 20.028 17.278 ( 24.982 3.617 -7.657) 26.379 18.434 ( -2.960 -1.078 7.905) 8.509 18.636 ( -4.066 -2.398 -10.275) 11.308 19.422 ( 3.101 0.910 3.763) 4.961 19.494 ( 1.538 -0.106 -2.861) 3.250 20.238 ( -11.075 -1.484 11.601) 16.107 20.443 ( -11.311 -1.287 -6.971) 13.349 20.907 ( -0.255 0.466 3.905) 3.941 21.000 ( -2.194 -0.232 -4.440) 4.958 21.127 ( -7.416 1.127 3.257) 8.178 21.195 ( -7.717 1.074 -2.483) 8.177 22.087 ( 7.223 2.757 7.645) 10.873 22.261 ( 6.593 1.525 -8.217) 10.645 23.247 ( -1.103 0.194 10.086) 10.148 23.489 ( -3.934 2.291 -11.464) 12.335 24.420 ( 0.569 -1.627 7.239) 7.442 24.568 ( 0.129 -3.045 -6.089) 6.809 25.273 ( -16.181 -4.798 8.483) 18.889 25.469 ( -14.127 -4.468 -9.054) 17.364 26.824 ( 5.334 -2.031 12.903) 14.109 27.100 ( 7.362 -3.431 -11.719) 14.259 ======================= Grid point 238 (83/93) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -8.331 26.176 19.485) 33.678 3.333 ( -32.601 15.420 19.858) 41.170 3.674 ( -12.196 13.799 -22.557) 29.120 3.939 ( -32.271 10.597 -27.933) 43.976 5.145 ( 5.536 15.480 17.986) 24.368 5.479 ( 7.590 3.152 -10.535) 13.361 5.958 ( 8.611 8.631 9.395) 15.392 6.161 ( 5.959 9.926 -6.049) 13.062 6.529 ( -3.916 2.270 3.723) 5.861 6.600 ( -15.703 10.147 -1.308) 18.742 6.961 ( -21.392 7.706 2.907) 22.923 7.132 ( -19.203 1.934 -10.083) 21.776 8.063 ( 4.626 -7.153 19.223) 21.026 8.241 ( -2.546 -3.090 19.256) 19.668 8.592 ( 4.111 -7.025 -17.637) 19.424 8.773 ( -4.463 -7.420 -15.465) 17.724 9.282 ( 1.054 -9.920 17.407) 20.062 9.642 ( 14.293 -8.924 -2.961) 17.109 10.060 ( -0.880 -15.873 -5.641) 16.868 10.135 ( 2.212 -9.191 -10.693) 14.272 10.895 ( -2.505 -17.531 7.132) 19.091 11.044 ( -3.313 -9.615 -6.780) 12.223 12.072 ( 2.332 -3.760 5.226) 6.848 12.243 ( -2.793 -0.250 -9.599) 10.000 14.314 ( 7.972 -1.917 10.252) 13.127 14.411 ( 8.372 -3.374 11.793) 14.851 14.529 ( 10.292 -4.677 0.168) 11.306 14.818 ( -5.432 -2.660 -12.480) 13.868 15.474 ( 6.168 16.063 19.261) 25.828 15.848 ( 5.219 9.463 -1.327) 10.888 15.987 ( 1.262 9.451 -6.081) 11.309 16.227 ( -4.294 12.885 -19.382) 23.667 17.420 ( 14.568 -7.238 12.733) 20.658 17.689 ( 22.189 -0.597 -11.182) 24.854 18.386 ( -4.119 -1.019 7.501) 8.618 18.580 ( -4.911 -1.329 -9.760) 11.007 19.438 ( 0.921 2.668 4.186) 5.049 19.515 ( 1.281 1.480 -2.578) 3.237 20.108 ( -7.693 -4.849 12.591) 15.531 20.323 ( -6.408 -5.227 -7.197) 10.963 20.890 ( 0.016 1.500 3.067) 3.414 20.945 ( -4.017 0.075 -2.038) 4.505 21.000 ( -5.337 1.178 3.294) 6.381 21.071 ( -3.744 2.373 -2.552) 5.114 22.156 ( 4.339 4.229 9.199) 11.015 22.338 ( 3.835 1.732 -6.935) 8.112 23.233 ( 1.523 1.655 3.294) 3.989 23.385 ( -1.870 4.949 -9.933) 11.254 24.442 ( -0.252 -0.373 5.537) 5.555 24.549 ( -3.585 0.918 -4.206) 5.602 25.128 ( -10.545 -11.857 12.058) 19.929 25.379 ( -6.359 -11.275 -10.776) 16.843 26.926 ( 3.595 -1.452 15.256) 15.741 27.250 ( 4.969 -3.034 -13.774) 14.954 ======================= Grid point 239 (84/93) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 0.000 24.543 29.128) 38.089 2.808 ( 0.000 17.549 28.957) 33.859 3.460 ( 0.000 7.639 -29.460) 30.434 3.482 ( 0.000 11.486 -36.755) 38.508 4.963 ( 0.000 24.436 33.417) 41.399 5.531 ( 0.000 3.138 -14.914) 15.240 5.900 ( 0.000 12.387 10.700) 16.368 6.089 ( 0.000 13.394 -6.842) 15.041 6.349 ( 0.000 0.969 7.549) 7.611 6.578 ( 0.000 7.306 9.598) 12.062 6.597 ( 0.000 0.885 -12.686) 12.717 6.900 ( 0.000 1.896 -18.282) 18.380 8.130 ( -0.000 -0.495 17.848) 17.855 8.379 ( -0.000 -17.348 25.317) 30.691 8.623 ( 0.000 0.539 -21.161) 21.168 8.914 ( -0.000 -14.313 -20.350) 24.879 9.424 ( -0.000 -11.783 19.105) 22.446 9.914 ( -0.000 -6.245 -19.727) 20.692 10.070 ( -0.000 -8.599 13.861) 16.312 10.367 ( -0.000 -10.917 -10.956) 15.467 11.043 ( -0.000 -9.747 5.293) 11.091 11.157 ( -0.000 -12.788 -5.797) 14.041 12.143 ( -0.000 -4.786 1.066) 4.903 12.235 ( -0.000 -4.072 -6.280) 7.485 14.285 ( 0.000 8.178 26.167) 27.415 14.601 ( -0.000 -7.882 7.609) 10.955 14.712 ( 0.000 0.760 -14.626) 14.646 14.763 ( -0.000 -6.277 -6.668) 9.158 15.331 ( 0.000 16.132 22.857) 27.976 15.809 ( 0.000 4.745 4.473) 6.521 15.922 ( 0.000 10.500 -5.576) 11.889 15.958 ( 0.000 16.362 -30.621) 34.718 17.681 ( -0.000 -11.413 12.354) 16.819 17.961 ( -0.000 -6.253 -12.487) 13.965 18.338 ( -0.000 -0.330 7.707) 7.714 18.526 ( 0.000 0.299 -8.990) 8.995 19.406 ( 0.000 3.034 4.867) 5.735 19.495 ( 0.000 2.987 -3.093) 4.300 20.102 ( -0.000 -5.865 13.737) 14.937 20.329 ( -0.000 -3.979 -7.564) 8.547 20.896 ( -0.000 -0.383 0.584) 0.699 20.903 ( 0.000 3.907 5.570) 6.804 20.907 ( -0.000 -0.527 -0.448) 0.691 21.004 ( 0.000 3.626 -3.398) 4.969 22.128 ( 0.000 5.800 11.312) 12.712 22.341 ( 0.000 3.532 -7.114) 7.943 23.228 ( 0.000 4.362 -0.512) 4.392 23.351 ( -0.000 -2.045 -9.722) 9.935 24.420 ( 0.000 1.302 2.864) 3.147 24.485 ( 0.000 2.484 -2.901) 3.819 25.206 ( -0.000 -17.033 15.445) 22.993 25.485 ( -0.000 -14.371 -10.723) 17.931 26.968 ( -0.000 -0.085 16.805) 16.806 27.323 ( -0.000 -1.295 -15.201) 15.256 ======================= Grid point 244 (85/93) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( 5.175 0.000 1.655) 5.433 4.379 ( 0.768 0.000 -14.825) 14.845 4.971 ( 21.775 0.000 2.771) 21.951 5.029 ( 17.673 0.000 -2.368) 17.831 5.615 ( 17.423 0.000 1.330) 17.473 5.637 ( 9.469 0.000 -0.553) 9.485 6.253 ( 7.684 0.000 0.086) 7.684 6.275 ( -1.836 -0.000 0.232) 1.851 6.730 ( -26.218 -0.000 3.755) 26.486 6.865 ( -30.337 -0.000 -5.570) 30.844 7.337 ( -4.601 -0.000 17.006) 17.617 7.623 ( 6.791 0.000 -6.922) 9.697 8.458 ( -7.928 -0.000 2.085) 8.198 8.540 ( -13.359 -0.000 -6.620) 14.910 8.888 ( -9.526 -0.000 13.431) 16.466 8.992 ( -23.704 -0.000 18.686) 30.184 9.261 ( -19.065 -0.000 -8.787) 20.993 9.457 ( -19.270 -0.000 -13.503) 23.530 10.061 ( 1.104 0.000 0.639) 1.276 10.120 ( 2.284 0.000 -6.294) 6.695 10.773 ( 14.008 0.000 8.829) 16.558 10.920 ( -5.974 -0.000 -3.003) 6.686 12.307 ( 2.988 0.000 1.118) 3.190 12.357 ( 18.551 0.000 -5.752) 19.422 13.080 ( -22.708 -0.000 4.810) 23.212 13.325 ( -16.221 -0.000 -15.420) 22.381 14.521 ( 6.848 0.000 7.142) 9.895 14.608 ( 12.646 0.000 0.876) 12.676 15.435 ( 12.905 0.000 4.354) 13.619 15.503 ( 8.635 0.000 -3.261) 9.230 15.823 ( 12.608 0.000 6.410) 14.144 15.971 ( 12.572 0.000 -3.618) 13.082 16.684 ( 10.920 0.000 -1.295) 10.996 16.703 ( 15.174 0.000 -2.677) 15.409 18.523 ( -2.783 -0.000 7.319) 7.831 18.703 ( -4.143 -0.000 -9.236) 10.123 19.335 ( 0.949 0.000 4.783) 4.876 19.443 ( -0.378 -0.000 -4.583) 4.599 20.704 ( -6.618 -0.000 10.918) 12.767 20.873 ( -1.952 -0.000 10.961) 11.133 20.892 ( -3.652 -0.000 -6.934) 7.837 21.120 ( -4.630 -0.000 -10.318) 11.309 21.323 ( -2.579 -0.000 3.962) 4.727 21.404 ( -1.533 -0.000 -2.905) 3.285 22.034 ( 1.396 0.000 8.746) 8.856 22.212 ( 3.301 0.000 -6.998) 7.738 23.032 ( 1.482 0.000 8.420) 8.549 23.279 ( 3.843 0.000 -13.454) 13.992 24.451 ( -0.410 -0.000 4.172) 4.192 24.550 ( -5.208 -0.000 -5.004) 7.222 25.807 ( -12.457 -0.000 11.947) 17.260 26.013 ( -10.264 -0.000 -5.467) 11.629 26.653 ( -1.424 -0.000 2.016) 2.468 26.754 ( 4.837 0.000 -5.986) 7.697 ======================= Grid point 245 (86/93) ======================= q-point: (-0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( -3.301 4.360 0.600) 5.501 4.352 ( -4.495 -1.852 -14.559) 15.349 5.153 ( 3.038 8.399 2.272) 9.216 5.235 ( 8.758 7.667 -4.072) 12.331 5.431 ( -21.409 8.278 11.298) 25.584 5.745 ( -10.857 10.115 -14.521) 20.761 6.260 ( 1.292 4.378 10.074) 11.060 6.348 ( -7.916 0.770 1.891) 8.175 6.576 ( 6.360 -13.358 0.781) 14.815 6.692 ( 16.638 -12.628 -8.985) 22.738 7.305 ( 0.006 -1.208 20.162) 20.198 7.702 ( -1.152 0.673 -12.784) 12.853 8.150 ( -24.891 5.017 9.962) 27.276 8.236 ( -12.947 1.442 0.610) 13.041 8.556 ( -25.107 -1.446 7.583) 26.267 8.699 ( -16.471 -7.998 -7.134) 19.651 8.954 ( -11.327 -0.324 7.550) 13.617 9.187 ( -12.100 -6.508 -10.410) 17.238 10.113 ( 1.149 4.044 1.332) 4.410 10.211 ( 3.978 -3.157 -5.191) 7.262 10.645 ( -21.431 -0.291 10.174) 23.725 10.865 ( -5.820 -4.970 -6.728) 10.190 12.203 ( -5.105 13.571 14.665) 20.623 12.551 ( 2.516 11.632 -16.967) 20.725 13.071 ( 11.418 -17.043 3.739) 20.853 13.304 ( 13.556 -10.283 -15.716) 23.162 14.624 ( 4.279 1.604 11.061) 11.968 14.793 ( 5.928 -0.713 -2.653) 6.534 15.648 ( 12.614 5.323 5.803) 14.870 15.733 ( 18.547 0.390 3.059) 18.801 16.039 ( 12.202 1.440 1.426) 12.369 16.241 ( 17.024 -0.522 -7.955) 18.798 16.859 ( 11.524 1.907 5.852) 13.065 17.010 ( 19.351 0.652 -6.088) 20.296 18.468 ( -3.236 0.035 6.352) 7.129 18.635 ( -4.136 -0.962 -9.178) 10.113 19.368 ( 2.664 -0.192 3.779) 4.627 19.454 ( 1.315 -0.341 -3.852) 4.084 20.498 ( -13.894 1.783 12.949) 19.076 20.727 ( -12.385 2.766 -7.368) 14.674 20.884 ( -0.294 -1.551 5.461) 5.685 21.030 ( -3.748 0.283 -6.928) 7.882 21.260 ( -5.225 -0.449 3.780) 6.464 21.345 ( -4.753 0.544 -3.627) 6.004 22.073 ( 4.651 2.244 8.289) 9.765 22.258 ( 4.178 2.644 -8.232) 9.602 23.108 ( 3.894 -3.856 11.094) 12.374 23.381 ( 3.661 -4.904 -13.176) 14.528 24.441 ( -0.512 1.829 1.746) 2.580 24.485 ( -1.727 -1.329 -2.204) 3.100 25.530 ( -18.153 0.343 11.115) 21.288 25.750 ( -18.234 0.787 -7.910) 19.891 26.684 ( 3.961 -0.511 7.572) 8.561 26.871 ( 7.037 -1.591 -8.655) 11.268 ======================= Grid point 246 (87/93) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.988 ( -8.086 12.484 4.330) 15.491 4.231 ( -9.831 5.178 -16.845) 20.179 4.529 ( -43.300 8.339 16.192) 46.974 4.910 ( -34.183 7.281 -16.732) 38.749 5.363 ( 12.080 10.305 3.167) 16.191 5.496 ( 4.023 8.083 -8.520) 12.414 6.229 ( 3.463 9.124 5.862) 11.384 6.289 ( 3.277 1.844 2.118) 4.316 6.854 ( 0.270 0.759 7.869) 7.910 6.964 ( 0.915 1.302 -4.411) 4.690 7.310 ( -1.872 1.898 9.534) 9.900 7.550 ( -12.749 2.894 -6.580) 14.635 7.802 ( -8.815 -6.046 5.588) 12.062 7.968 ( -7.721 -3.697 -6.804) 10.936 8.429 ( -4.301 -9.148 10.321) 14.447 8.651 ( -0.466 -9.727 -1.159) 9.807 8.910 ( -0.149 -10.755 4.271) 11.573 9.126 ( -4.215 -8.597 -7.915) 12.423 9.880 ( -15.745 11.871 11.741) 22.949 10.183 ( -11.612 -1.333 -9.035) 14.773 10.440 ( -5.324 -9.457 9.790) 14.616 10.793 ( -8.657 -8.107 -16.862) 20.615 12.001 ( -6.753 0.127 16.152) 17.507 12.392 ( -3.745 7.114 -19.470) 21.065 13.597 ( 23.209 -14.654 6.300) 28.162 13.804 ( 23.728 -10.245 -11.178) 28.159 14.627 ( 0.163 3.676 11.812) 12.371 14.824 ( -1.789 0.244 -5.011) 5.326 15.766 ( 10.204 8.074 12.224) 17.854 16.006 ( 14.056 5.232 5.793) 16.078 16.182 ( 8.318 5.379 -4.169) 10.747 16.497 ( 12.203 4.336 -14.651) 19.555 17.053 ( 12.471 -0.564 14.629) 19.232 17.362 ( 23.509 2.910 -11.231) 26.216 18.415 ( -3.190 -0.505 5.905) 6.730 18.585 ( -3.622 -1.779 -9.640) 10.451 19.430 ( 4.248 -0.090 3.095) 5.256 19.492 ( 2.567 -0.194 -2.626) 3.678 20.229 ( -14.492 0.475 11.441) 18.470 20.437 ( -16.822 0.490 -7.187) 18.300 20.897 ( -0.050 -0.869 3.644) 3.747 20.978 ( -3.524 -1.220 -3.532) 5.136 21.157 ( -5.716 1.167 3.692) 6.904 21.238 ( -5.201 2.213 -3.365) 6.578 22.141 ( 5.777 1.738 6.851) 9.128 22.310 ( 5.067 2.023 -8.407) 10.022 23.218 ( 3.867 -1.857 11.363) 12.145 23.482 ( 2.187 -2.177 -12.120) 12.507 24.412 ( 0.227 0.916 4.679) 4.773 24.513 ( 1.853 -1.623 -4.284) 4.942 25.202 ( -19.606 -1.692 9.932) 22.043 25.413 ( -19.077 -1.009 -8.542) 20.926 26.778 ( 4.969 -1.520 10.750) 11.940 27.021 ( 6.797 -2.870 -10.625) 12.936 ======================= Grid point 247 (88/93) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -27.117 9.866 14.429) 32.263 3.727 ( -12.247 20.990 11.065) 26.702 3.987 ( -13.959 11.818 -15.922) 24.249 4.221 ( -25.717 12.093 -23.070) 36.604 5.453 ( 9.711 10.429 1.655) 14.346 5.529 ( 7.189 4.598 -4.303) 9.557 6.185 ( 3.864 8.988 10.300) 14.206 6.361 ( 6.263 2.703 -2.604) 7.302 6.593 ( -11.984 7.048 7.375) 15.738 6.783 ( -13.135 1.846 -6.486) 14.765 7.158 ( -13.781 9.757 5.850) 17.870 7.304 ( -1.840 13.883 -7.456) 15.865 7.806 ( 2.837 -10.518 17.174) 20.337 8.220 ( 7.029 -6.908 -3.800) 10.562 8.348 ( -5.091 -6.054 2.958) 8.445 8.728 ( -4.306 -1.958 -9.539) 10.648 9.085 ( 1.544 -7.769 13.589) 15.729 9.375 ( 13.632 -14.732 -1.817) 20.154 9.635 ( -3.479 -13.236 7.155) 15.443 9.980 ( -13.897 -6.769 -15.518) 21.903 10.509 ( -3.124 -12.284 9.022) 15.559 10.776 ( -5.969 -10.472 -14.028) 18.495 11.958 ( -3.809 -7.371 12.415) 14.932 12.285 ( -1.962 3.238 -16.862) 17.281 14.126 ( 19.196 -9.975 6.980) 22.731 14.274 ( 17.748 -6.419 -4.971) 19.517 14.563 ( -2.787 2.181 9.204) 9.861 14.751 ( -7.121 -1.752 -6.402) 9.735 15.823 ( 9.617 11.293 15.753) 21.637 16.051 ( 0.526 9.370 15.048) 17.735 16.209 ( 5.237 8.602 -14.005) 17.250 16.521 ( 1.859 11.274 -19.911) 22.956 17.295 ( 11.072 -3.484 19.884) 23.024 17.723 ( 19.985 2.503 -17.179) 26.472 18.364 ( -3.740 -0.823 5.994) 7.113 18.545 ( -3.199 -1.500 -10.034) 10.638 19.495 ( 3.077 1.753 3.352) 4.876 19.545 ( 3.908 0.951 -1.233) 4.207 20.017 ( -10.532 -2.663 10.420) 15.053 20.197 ( -11.672 -4.655 -5.888) 13.877 20.896 ( -0.965 -0.406 1.643) 1.948 20.927 ( -3.778 -1.105 -1.165) 4.105 21.051 ( -3.433 2.532 4.251) 6.022 21.136 ( -2.499 3.026 -3.113) 5.009 22.220 ( 4.561 1.069 6.344) 7.886 22.374 ( 3.810 1.248 -7.616) 8.607 23.269 ( 2.098 1.845 8.884) 9.313 23.495 ( 0.477 3.472 -11.169) 11.706 24.435 ( 2.408 -0.086 6.117) 6.575 24.558 ( 1.024 -0.103 -5.016) 5.121 24.931 ( -14.775 -5.418 11.273) 19.358 25.173 ( -11.592 -6.286 -10.194) 16.668 26.876 ( 3.328 -2.319 12.985) 13.603 27.161 ( 4.363 -3.964 -12.277) 13.619 ======================= Grid point 248 (89/93) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 0.000 11.688 21.791) 24.728 3.371 ( 0.000 28.310 14.083) 31.619 3.668 ( 0.000 9.775 -23.596) 25.541 3.837 ( 0.000 17.616 -26.375) 31.717 5.395 ( 0.000 14.230 9.154) 16.920 5.580 ( 0.000 1.098 -7.222) 7.305 6.145 ( 0.000 6.240 15.102) 16.340 6.364 ( 0.000 9.222 -4.621) 10.315 6.425 ( 0.000 4.939 9.900) 11.064 6.642 ( 0.000 1.643 -8.546) 8.702 6.843 ( 0.000 13.715 4.421) 14.410 7.071 ( 0.000 15.851 -15.573) 22.221 8.010 ( -0.000 -13.489 22.523) 26.253 8.164 ( 0.000 1.622 22.634) 22.692 8.567 ( -0.000 -13.807 -26.171) 29.590 8.650 ( 0.000 0.994 -13.145) 13.182 9.161 ( -0.000 -8.889 22.986) 24.645 9.761 ( -0.000 -7.810 -23.982) 25.222 9.774 ( -0.000 -16.926 13.596) 21.710 10.012 ( -0.000 -18.851 -7.259) 20.200 10.643 ( -0.000 -17.515 8.322) 19.392 10.851 ( -0.000 -12.730 -10.984) 16.814 12.020 ( -0.000 -7.423 7.174) 10.323 12.234 ( 0.000 2.575 -12.012) 12.285 14.414 ( 0.000 2.839 12.422) 12.742 14.434 ( -0.000 -6.070 11.205) 12.743 14.628 ( -0.000 -6.938 -8.936) 11.313 14.647 ( -0.000 -3.492 -7.752) 8.502 15.771 ( 0.000 19.983 23.028) 30.489 15.914 ( 0.000 4.120 9.640) 10.484 16.161 ( 0.000 9.351 -12.065) 15.264 16.353 ( 0.000 16.363 -26.509) 31.153 17.462 ( -0.000 -6.716 20.076) 21.169 17.907 ( 0.000 0.727 -19.426) 19.440 18.325 ( -0.000 -0.705 7.514) 7.548 18.522 ( -0.000 -0.614 -9.960) 9.979 19.485 ( 0.000 3.491 4.931) 6.042 19.565 ( 0.000 2.776 -2.232) 3.562 19.966 ( -0.000 -5.365 12.296) 13.416 20.177 ( -0.000 -7.946 -6.961) 10.563 20.887 ( -0.000 -0.350 0.499) 0.609 20.895 ( -0.000 -0.472 -0.252) 0.535 20.988 ( 0.000 3.249 5.209) 6.139 21.081 ( 0.000 3.056 -3.011) 4.290 22.244 ( 0.000 2.875 7.195) 7.748 22.393 ( 0.000 1.552 -6.358) 6.545 23.263 ( 0.000 1.552 4.851) 5.093 23.438 ( 0.000 5.908 -10.588) 12.125 24.453 ( 0.000 1.404 3.984) 4.224 24.543 ( 0.000 2.314 -3.966) 4.592 24.886 ( -0.000 -10.402 15.104) 18.339 25.184 ( -0.000 -11.097 -12.007) 16.350 26.935 ( -0.000 -2.343 14.584) 14.771 27.250 ( -0.000 -4.203 -13.486) 14.126 ======================= Grid point 255 (90/93) ======================= q-point: ( 0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( -6.656 -0.000 -2.676) 7.174 4.249 ( -5.385 -0.000 -11.990) 13.144 4.634 ( -45.189 -0.000 15.381) 47.735 4.983 ( -34.162 -0.000 -14.295) 37.032 5.579 ( -1.015 -0.000 -0.576) 1.167 5.637 ( 13.707 0.000 -4.650) 14.474 6.188 ( 0.154 0.000 7.789) 7.791 6.333 ( -1.413 -0.000 -4.674) 4.883 6.845 ( 16.928 0.000 13.686) 21.769 7.059 ( 8.987 0.000 -7.150) 11.484 7.330 ( 5.216 0.000 13.168) 14.163 7.622 ( -6.773 -0.000 -7.745) 10.289 7.740 ( -18.755 -0.000 14.629) 23.785 7.896 ( -9.570 -0.000 -5.501) 11.038 8.342 ( -10.275 -0.000 -3.244) 10.775 8.447 ( 3.260 0.000 -8.797) 9.382 8.776 ( -6.795 -0.000 12.721) 14.422 9.015 ( -5.931 -0.000 -8.543) 10.400 10.093 ( -11.561 -0.000 0.259) 11.564 10.125 ( -20.394 -0.000 5.579) 21.143 10.321 ( -4.557 -0.000 9.775) 10.785 10.705 ( -6.651 -0.000 -16.516) 17.805 11.991 ( -18.468 -0.000 20.790) 27.809 12.516 ( -10.389 -0.000 -26.622) 28.577 13.383 ( 30.263 0.000 9.293) 31.658 13.673 ( 29.687 0.000 -15.004) 33.263 14.664 ( -1.720 -0.000 11.121) 11.253 14.839 ( -0.999 -0.000 -3.341) 3.487 15.862 ( 8.912 0.000 11.544) 14.583 16.067 ( 16.895 0.000 10.965) 20.142 16.257 ( 10.343 0.000 -8.198) 13.198 16.547 ( 15.548 0.000 -13.131) 20.351 17.047 ( 10.734 0.000 15.929) 19.208 17.397 ( 23.300 0.000 -12.598) 26.488 18.410 ( -3.412 -0.000 4.870) 5.946 18.562 ( -3.440 -0.000 -9.278) 9.896 19.428 ( 4.391 0.000 2.942) 5.285 19.488 ( 2.967 0.000 -2.662) 3.987 20.239 ( -16.002 -0.000 11.383) 19.638 20.446 ( -19.431 -0.000 -7.274) 20.748 20.884 ( 0.379 0.000 3.494) 3.515 20.961 ( -3.759 -0.000 -3.326) 5.019 21.173 ( -4.684 -0.000 4.444) 6.456 21.269 ( -4.453 -0.000 -4.060) 6.026 22.164 ( 4.338 0.000 7.082) 8.305 22.334 ( 3.173 0.000 -8.016) 8.621 23.193 ( 7.344 0.000 10.277) 12.631 23.444 ( 5.845 0.000 -12.039) 13.383 24.434 ( -0.938 -0.000 2.455) 2.628 24.490 ( 2.707 0.000 -2.353) 3.587 25.183 ( -20.867 -0.000 10.910) 23.547 25.403 ( -20.839 -0.000 -8.316) 22.437 26.760 ( 4.672 0.000 9.621) 10.695 26.984 ( 6.604 0.000 -10.052) 12.027 ======================= Grid point 257 (91/93) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( -33.200 2.716 18.442) 38.075 4.083 ( -8.934 7.815 -10.301) 15.716 4.202 ( -8.511 6.063 -5.269) 11.703 4.410 ( -19.960 3.011 -17.944) 27.008 5.584 ( 4.426 5.751 8.682) 11.316 5.794 ( 10.239 8.953 -9.312) 16.483 6.237 ( 0.713 -4.084 7.755) 8.793 6.346 ( 1.813 0.070 -1.684) 2.475 6.756 ( -15.001 0.884 1.333) 15.086 6.774 ( -22.294 2.098 -0.871) 22.410 7.422 ( 3.268 9.527 14.514) 17.667 7.605 ( -4.000 0.614 3.330) 5.241 7.682 ( 16.261 8.045 2.108) 18.265 8.069 ( 16.932 -2.831 -19.589) 26.047 8.227 ( -7.605 -5.223 15.938) 18.416 8.623 ( 3.060 -5.407 -14.221) 15.519 8.836 ( 8.833 -10.280 7.662) 15.570 9.017 ( 7.508 -9.973 -6.041) 13.868 9.607 ( -27.191 4.407 13.831) 30.823 9.799 ( -24.397 -6.558 -3.147) 25.458 10.347 ( 0.551 -2.418 8.108) 8.479 10.645 ( -2.159 -1.518 -14.902) 15.134 11.769 ( -9.805 -6.231 20.764) 23.793 12.353 ( -5.352 1.838 -30.582) 31.101 13.928 ( 26.220 -5.289 10.098) 28.591 14.172 ( 24.270 -2.152 -10.370) 26.480 14.568 ( -9.329 -0.597 9.913) 13.625 14.753 ( -8.066 0.808 -5.186) 9.623 15.968 ( 5.336 2.393 14.563) 15.694 16.260 ( 8.331 5.843 14.079) 17.371 16.362 ( 4.151 4.002 -11.719) 13.061 16.705 ( 5.214 3.812 -11.493) 13.183 17.247 ( 10.327 -0.801 19.951) 22.480 17.771 ( 18.874 1.164 -21.375) 28.539 18.350 ( -3.684 -0.317 4.537) 5.853 18.517 ( -2.226 -0.705 -9.994) 10.263 19.515 ( 5.276 0.229 3.120) 6.134 19.559 ( 5.131 0.229 -0.995) 5.231 19.983 ( -12.620 -0.473 8.552) 15.253 20.124 ( -16.574 -1.540 -4.072) 17.136 20.887 ( -0.293 -0.231 1.074) 1.137 20.906 ( -2.810 -0.527 -0.655) 2.933 21.098 ( -2.852 1.193 4.785) 5.697 21.196 ( -2.576 1.611 -3.907) 4.949 22.227 ( 2.968 -0.009 5.992) 6.686 22.383 ( 2.334 -0.271 -7.947) 8.287 23.312 ( 5.866 1.391 9.281) 11.067 23.538 ( 4.158 0.548 -10.789) 11.575 24.441 ( 2.441 0.435 5.249) 5.805 24.552 ( 3.764 -0.274 -4.554) 5.915 24.852 ( -16.968 -1.617 10.974) 20.272 25.080 ( -15.851 -1.902 -8.923) 18.289 26.835 ( 2.995 -1.000 11.235) 11.670 27.089 ( 3.978 -1.784 -11.183) 12.003 ======================= Grid point 258 (92/93) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 0.000 5.093 22.742) 23.305 3.880 ( 0.000 7.251 -24.281) 25.340 3.940 ( 0.000 19.132 5.862) 20.010 4.208 ( 0.000 11.296 -18.074) 21.314 5.584 ( 0.000 2.821 5.568) 6.242 5.761 ( 0.000 14.278 -9.672) 17.245 6.217 ( 0.000 1.264 13.060) 13.121 6.453 ( -0.000 -0.407 -7.980) 7.990 6.476 ( -0.000 -1.442 9.007) 9.122 6.649 ( -0.000 -1.158 -5.642) 5.759 7.246 ( 0.000 18.857 11.518) 22.097 7.512 ( 0.000 13.938 -11.949) 18.359 7.806 ( -0.000 -0.255 18.420) 18.421 8.138 ( -0.000 -3.516 23.029) 23.296 8.334 ( -0.000 -4.858 -27.151) 27.582 8.612 ( -0.000 -4.282 -17.597) 18.110 9.113 ( 0.000 4.263 22.956) 23.349 9.313 ( -0.000 -20.460 12.013) 23.726 9.512 ( -0.000 -11.904 -10.448) 15.839 9.532 ( -0.000 -20.491 -7.480) 21.813 10.381 ( -0.000 -4.931 8.581) 9.897 10.653 ( -0.000 -3.523 -14.013) 14.449 11.790 ( -0.000 -10.696 17.622) 20.614 12.292 ( 0.000 1.629 -26.301) 26.351 14.327 ( -0.000 -2.987 14.657) 14.958 14.400 ( -0.000 -4.849 2.643) 5.523 14.495 ( -0.000 -1.617 -3.374) 3.742 14.594 ( -0.000 -1.252 -9.298) 9.381 15.993 ( 0.000 2.469 13.798) 14.017 16.198 ( 0.000 15.085 21.425) 26.203 16.338 ( 0.000 5.424 -16.375) 17.250 16.668 ( 0.000 9.279 -15.727) 18.261 17.362 ( -0.000 -2.159 22.431) 22.535 17.944 ( 0.000 1.643 -26.194) 26.246 18.309 ( -0.000 -0.551 6.927) 6.949 18.504 ( -0.000 -0.753 -10.340) 10.367 19.556 ( 0.000 2.341 4.418) 5.000 19.617 ( 0.000 1.555 -1.093) 1.901 19.870 ( -0.000 -2.525 8.589) 8.953 20.006 ( -0.000 -5.937 -3.593) 6.939 20.880 ( -0.000 -0.195 0.451) 0.491 20.887 ( -0.000 -0.261 -0.114) 0.284 21.053 ( 0.000 2.197 5.038) 5.496 21.149 ( 0.000 2.552 -3.584) 4.399 22.260 ( -0.000 -0.519 5.788) 5.811 22.411 ( -0.000 -0.320 -7.856) 7.862 23.332 ( 0.000 3.650 8.741) 9.472 23.551 ( 0.000 3.287 -10.745) 11.236 24.480 ( 0.000 0.884 4.744) 4.826 24.587 ( 0.000 1.381 -4.677) 4.877 24.711 ( -0.000 -4.777 13.264) 14.098 24.977 ( -0.000 -6.334 -10.455) 12.224 26.880 ( -0.000 -1.982 12.386) 12.544 27.155 ( -0.000 -3.353 -11.999) 12.459 ======================= Grid point 268 (93/93) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( -0.000 -0.000 24.367) 24.367 3.969 ( -0.000 -0.000 -25.448) 25.448 4.222 ( -0.000 -0.000 -3.348) 3.348 4.290 ( -0.000 -0.000 -9.767) 9.767 5.657 ( -0.000 -0.000 12.991) 12.991 5.944 ( -0.000 -0.000 -10.933) 10.933 6.231 ( -0.000 -0.000 11.026) 11.026 6.434 ( -0.000 -0.000 -7.489) 7.489 6.480 ( -0.000 -0.000 2.437) 2.437 6.583 ( -0.000 -0.000 -4.524) 4.524 7.530 ( 0.000 0.000 11.875) 11.875 7.558 ( -0.000 -0.000 4.573) 4.573 7.952 ( -0.000 -0.000 2.508) 2.508 8.077 ( -0.000 -0.000 21.961) 21.961 8.322 ( 0.000 0.000 -24.846) 24.846 8.545 ( -0.000 -0.000 -18.405) 18.405 9.007 ( -0.000 -0.000 10.835) 10.835 9.207 ( -0.000 -0.000 12.504) 12.504 9.224 ( -0.000 -0.000 -8.913) 8.913 9.331 ( -0.000 -0.000 0.125) 0.125 10.351 ( -0.000 -0.000 10.095) 10.095 10.622 ( -0.000 -0.000 -9.779) 9.779 11.638 ( -0.000 -0.000 21.574) 21.574 12.308 ( -0.000 -0.000 -35.877) 35.877 14.293 ( -0.000 -0.000 16.003) 16.003 14.323 ( -0.000 -0.000 5.529) 5.529 14.488 ( -0.000 -0.000 -6.073) 6.073 14.581 ( -0.000 -0.000 -9.932) 9.932 16.023 ( -0.000 -0.000 15.357) 15.357 16.395 ( -0.000 -0.000 19.356) 19.356 16.403 ( -0.000 -0.000 -17.847) 17.847 16.767 ( -0.000 -0.000 -4.535) 4.535 17.343 ( -0.000 -0.000 18.190) 18.190 17.964 ( -0.000 -0.000 -29.241) 29.241 18.302 ( -0.000 -0.000 6.593) 6.593 18.494 ( -0.000 -0.000 -10.391) 10.391 19.585 ( -0.000 -0.000 4.066) 4.066 19.635 ( -0.000 -0.000 -0.523) 0.523 19.846 ( -0.000 -0.000 6.056) 6.056 19.928 ( -0.000 -0.000 -1.131) 1.131 20.878 ( -0.000 -0.000 0.437) 0.437 20.883 ( -0.000 -0.000 -0.065) 0.065 21.081 ( -0.000 -0.000 5.168) 5.168 21.183 ( -0.000 -0.000 -4.020) 4.020 22.251 ( -0.000 -0.000 5.573) 5.573 22.399 ( -0.000 -0.000 -7.667) 7.667 23.386 ( -0.000 -0.000 8.029) 8.029 23.587 ( -0.000 -0.000 -9.824) 9.824 24.491 ( -0.000 -0.000 5.014) 5.014 24.604 ( -0.000 -0.000 -4.927) 4.927 24.656 ( -0.000 -0.000 12.205) 12.205 24.901 ( -0.000 -0.000 -9.202) 9.202 26.855 ( -0.000 -0.000 11.416) 11.416 27.113 ( -0.000 -0.000 -11.350) 11.350 =================== 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 3/27000 10.0 25592.859 21295.190 12866.132 0.000 0.000 0.000 3/27000 20.0 11065.309 10041.912 11215.005 0.000 0.000 0.000 3/27000 30.0 3912.681 3037.969 3513.990 0.000 0.000 0.000 3/27000 40.0 1807.877 1280.272 1546.431 0.000 0.000 0.000 3/27000 50.0 1042.573 692.236 862.600 0.000 0.000 0.000 3/27000 60.0 687.037 436.540 555.384 0.000 0.000 0.000 3/27000 70.0 493.927 304.462 392.440 0.000 0.000 0.000 3/27000 80.0 377.047 227.515 295.697 0.000 0.000 0.000 3/27000 90.0 300.386 178.539 233.306 0.000 0.000 0.000 3/27000 100.0 246.947 145.208 190.448 0.000 0.000 0.000 3/27000 110.0 207.919 121.324 159.531 0.000 0.000 0.000 3/27000 120.0 178.371 103.508 136.357 0.000 0.000 0.000 3/27000 130.0 155.357 89.790 118.448 0.000 0.000 0.000 3/27000 140.0 137.020 78.955 104.266 0.000 0.000 0.000 3/27000 150.0 122.136 70.217 92.807 0.000 0.000 0.000 3/27000 160.0 109.865 63.050 83.395 0.000 0.000 0.000 3/27000 170.0 99.614 57.086 75.554 0.000 0.000 0.000 3/27000 180.0 90.952 52.061 68.942 0.000 0.000 0.000 3/27000 190.0 83.559 47.782 63.309 0.000 0.000 0.000 3/27000 200.0 77.192 44.103 58.465 0.000 0.000 0.000 3/27000 210.0 71.665 40.915 54.265 0.000 0.000 0.000 3/27000 220.0 66.832 38.130 50.595 0.000 0.000 0.000 3/27000 230.0 62.577 35.681 47.368 0.000 0.000 0.000 3/27000 240.0 58.809 33.514 44.511 0.000 0.000 0.000 3/27000 250.0 55.452 31.585 41.968 0.000 0.000 0.000 3/27000 260.0 52.447 29.860 39.693 0.000 0.000 0.000 3/27000 270.0 49.744 28.308 37.647 0.000 0.000 0.000 3/27000 280.0 47.301 26.907 35.798 0.000 0.000 0.000 3/27000 290.0 45.084 25.636 34.122 0.000 0.000 0.000 3/27000 300.0 43.064 24.479 32.594 0.000 0.000 0.000 3/27000 310.0 41.217 23.421 31.198 0.000 0.000 0.000 3/27000 320.0 39.522 22.451 29.917 0.000 0.000 0.000 3/27000 330.0 37.962 21.558 28.739 0.000 0.000 0.000 3/27000 340.0 36.522 20.734 27.651 0.000 0.000 0.000 3/27000 350.0 35.188 19.971 26.643 0.000 0.000 0.000 3/27000 360.0 33.950 19.264 25.708 0.000 0.000 0.000 3/27000 370.0 32.797 18.605 24.837 0.000 0.000 0.000 3/27000 380.0 31.722 17.991 24.025 0.000 0.000 0.000 3/27000 390.0 30.717 17.417 23.266 0.000 0.000 0.000 3/27000 400.0 29.775 16.879 22.555 0.000 0.000 0.000 3/27000 410.0 28.890 16.375 21.887 0.000 0.000 0.000 3/27000 420.0 28.058 15.900 21.258 0.000 0.000 0.000 3/27000 430.0 27.274 15.453 20.666 0.000 0.000 0.000 3/27000 440.0 26.534 15.031 20.107 0.000 0.000 0.000 3/27000 450.0 25.834 14.632 19.578 0.000 0.000 0.000 3/27000 460.0 25.171 14.254 19.077 0.000 0.000 0.000 3/27000 470.0 24.542 13.896 18.602 0.000 0.000 0.000 3/27000 480.0 23.945 13.556 18.151 0.000 0.000 0.000 3/27000 490.0 23.377 13.233 17.722 0.000 0.000 0.000 3/27000 500.0 22.837 12.925 17.314 0.000 0.000 0.000 3/27000 510.0 22.321 12.632 16.925 0.000 0.000 0.000 3/27000 520.0 21.830 12.352 16.553 0.000 0.000 0.000 3/27000 530.0 21.360 12.085 16.198 0.000 0.000 0.000 3/27000 540.0 20.910 11.829 15.858 0.000 0.000 0.000 3/27000 550.0 20.480 11.585 15.533 0.000 0.000 0.000 3/27000 560.0 20.067 11.350 15.221 0.000 0.000 0.000 3/27000 570.0 19.672 11.125 14.922 0.000 0.000 0.000 3/27000 580.0 19.292 10.909 14.635 0.000 0.000 0.000 3/27000 590.0 18.927 10.702 14.359 0.000 0.000 0.000 3/27000 600.0 18.576 10.503 14.093 0.000 0.000 0.000 3/27000 610.0 18.238 10.311 13.838 0.000 0.000 0.000 3/27000 620.0 17.912 10.126 13.591 0.000 0.000 0.000 3/27000 630.0 17.599 9.948 13.354 0.000 0.000 0.000 3/27000 640.0 17.296 9.776 13.125 0.000 0.000 0.000 3/27000 650.0 17.004 9.611 12.904 0.000 0.000 0.000 3/27000 660.0 16.722 9.451 12.691 0.000 0.000 0.000 3/27000 670.0 16.450 9.296 12.485 0.000 0.000 0.000 3/27000 680.0 16.186 9.147 12.285 0.000 0.000 0.000 3/27000 690.0 15.931 9.002 12.092 0.000 0.000 0.000 3/27000 700.0 15.684 8.862 11.906 0.000 0.000 0.000 3/27000 710.0 15.445 8.726 11.725 0.000 0.000 0.000 3/27000 720.0 15.214 8.595 11.549 0.000 0.000 0.000 3/27000 730.0 14.989 8.468 11.379 0.000 0.000 0.000 3/27000 740.0 14.771 8.344 11.214 0.000 0.000 0.000 3/27000 750.0 14.559 8.224 11.054 0.000 0.000 0.000 3/27000 760.0 14.354 8.108 10.898 0.000 0.000 0.000 3/27000 770.0 14.154 7.995 10.747 0.000 0.000 0.000 3/27000 780.0 13.960 7.885 10.600 0.000 0.000 0.000 3/27000 790.0 13.772 7.778 10.457 0.000 0.000 0.000 3/27000 800.0 13.588 7.674 10.318 0.000 0.000 0.000 3/27000 810.0 13.410 7.573 10.183 0.000 0.000 0.000 3/27000 820.0 13.236 7.474 10.051 0.000 0.000 0.000 3/27000 830.0 13.067 7.378 9.923 0.000 0.000 0.000 3/27000 840.0 12.902 7.285 9.798 0.000 0.000 0.000 3/27000 850.0 12.741 7.194 9.677 0.000 0.000 0.000 3/27000 860.0 12.585 7.105 9.558 0.000 0.000 0.000 3/27000 870.0 12.432 7.019 9.442 0.000 0.000 0.000 3/27000 880.0 12.283 6.935 9.329 0.000 0.000 0.000 3/27000 890.0 12.137 6.852 9.219 0.000 0.000 0.000 3/27000 900.0 11.995 6.772 9.112 0.000 0.000 0.000 3/27000 910.0 11.857 6.694 9.006 0.000 0.000 0.000 3/27000 920.0 11.722 6.617 8.904 0.000 0.000 0.000 3/27000 930.0 11.589 6.542 8.804 0.000 0.000 0.000 3/27000 940.0 11.460 6.469 8.706 0.000 0.000 0.000 3/27000 950.0 11.334 6.398 8.610 0.000 0.000 0.000 3/27000 960.0 11.210 6.328 8.516 0.000 0.000 0.000 3/27000 970.0 11.089 6.259 8.425 0.000 0.000 0.000 3/27000 980.0 10.971 6.193 8.335 0.000 0.000 0.000 3/27000 990.0 10.856 6.127 8.247 0.000 0.000 0.000 3/27000 1000.0 10.743 6.063 8.162 0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:22:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|