----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:45:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.884571140007507 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200837769999998 0.000000000000000 c -0.144107001106061 0.000000000000000 8.068339867346850 Atomic positions (fractional): *1 Cl 0.43906800825515 0.35726448203415 0.83047732978687 35.453 2 Cl 0.56093199174485 0.85726448203414 0.66952267021313 35.453 3 Cl 0.56093199174485 0.64273551796586 0.16952267021313 35.453 4 Cl 0.43906800825515 0.14273551796586 0.33047732978687 35.453 *5 Cl 0.04911593384641 0.30441030984445 0.84862561892068 35.453 6 Cl 0.95088406615359 0.80441030984445 0.65137438107932 35.453 *7 Cl 0.24448581986623 0.61166140694447 0.47151610478389 35.453 8 Cl 0.75551418013377 0.11166140694447 0.02848389521611 35.453 9 Cl 0.75551418013377 0.38833859305553 0.52848389521611 35.453 10 Cl 0.24448581986623 0.88833859305553 0.97151610478389 35.453 11 Cl 0.04911593384641 0.19558969015555 0.34862561892068 35.453 12 Cl 0.95088406615359 0.69558969015555 0.15137438107932 35.453 *13 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 14 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 *15 Pb 0.27715445633967 0.04948938885596 0.62201847058893 207.200 16 Pb 0.72284554366033 0.54948938885596 0.87798152941107 207.200 17 Pb 0.72284554366033 0.95051061114404 0.37798152941107 207.200 18 Pb 0.27715445633967 0.45051061114404 0.12201847058893 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.884571140007507 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200837769999998 0.000000000000000 c -0.144107001106061 0.000000000000000 8.068339867346850 Atomic positions (fractional): *1 Cl 0.43906800825515 0.35726448203415 0.83047732978687 35.453 > 1 2 Cl 0.56093199174485 0.85726448203414 0.66952267021313 35.453 > 2 3 Cl 0.56093199174485 0.64273551796586 0.16952267021313 35.453 > 3 4 Cl 0.43906800825515 0.14273551796586 0.33047732978687 35.453 > 4 *5 Cl 0.04911593384641 0.30441030984445 0.84862561892068 35.453 > 5 6 Cl 0.95088406615359 0.80441030984445 0.65137438107932 35.453 > 6 *7 Cl 0.24448581986623 0.61166140694447 0.47151610478389 35.453 > 7 8 Cl 0.75551418013377 0.11166140694447 0.02848389521611 35.453 > 8 9 Cl 0.75551418013377 0.38833859305553 0.52848389521611 35.453 > 9 10 Cl 0.24448581986623 0.88833859305553 0.97151610478389 35.453 > 10 11 Cl 0.04911593384641 0.19558969015555 0.34862561892068 35.453 > 11 12 Cl 0.95088406615359 0.69558969015555 0.15137438107932 35.453 > 12 *13 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 13 14 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 14 *15 Pb 0.27715445633967 0.04948938885596 0.62201847058893 207.200 > 15 16 Pb 0.72284554366033 0.54948938885596 0.87798152941107 207.200 > 16 17 Pb 0.72284554366033 0.95051061114404 0.37798152941107 207.200 > 17 18 Pb 0.27715445633967 0.45051061114404 0.12201847058893 207.200 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.769142280015014 0.000000000000000 0.000000000000000 b 0.000000000000000 12.401675539999996 0.000000000000000 c -0.288214002212122 0.000000000000000 16.136679734693701 Atomic positions (fractional): *1 Cl 0.21953400412757 0.17863224101707 0.41523866489344 35.453 > 1 2 Cl 0.71953400412757 0.17863224101707 0.41523866489344 35.453 > 1 3 Cl 0.21953400412757 0.67863224101707 0.41523866489344 35.453 > 1 4 Cl 0.71953400412757 0.67863224101707 0.41523866489344 35.453 > 1 5 Cl 0.21953400412757 0.17863224101707 0.91523866489344 35.453 > 1 6 Cl 0.71953400412757 0.17863224101707 0.91523866489344 35.453 > 1 7 Cl 0.21953400412757 0.67863224101707 0.91523866489344 35.453 > 1 8 Cl 0.71953400412757 0.67863224101707 0.91523866489344 35.453 > 1 9 Cl 0.28046599587243 0.42863224101707 0.33476133510656 35.453 > 2 10 Cl 0.78046599587243 0.42863224101707 0.33476133510656 35.453 > 2 11 Cl 0.28046599587243 0.92863224101707 0.33476133510656 35.453 > 2 12 Cl 0.78046599587243 0.92863224101707 0.33476133510656 35.453 > 2 13 Cl 0.28046599587243 0.42863224101707 0.83476133510656 35.453 > 2 14 Cl 0.78046599587243 0.42863224101707 0.83476133510656 35.453 > 2 15 Cl 0.28046599587243 0.92863224101707 0.83476133510656 35.453 > 2 16 Cl 0.78046599587243 0.92863224101707 0.83476133510656 35.453 > 2 17 Cl 0.28046599587243 0.32136775898293 0.08476133510656 35.453 > 3 18 Cl 0.78046599587243 0.32136775898293 0.08476133510656 35.453 > 3 19 Cl 0.28046599587243 0.82136775898293 0.08476133510656 35.453 > 3 20 Cl 0.78046599587243 0.82136775898293 0.08476133510656 35.453 > 3 21 Cl 0.28046599587243 0.32136775898293 0.58476133510656 35.453 > 3 22 Cl 0.78046599587243 0.32136775898293 0.58476133510656 35.453 > 3 23 Cl 0.28046599587243 0.82136775898293 0.58476133510656 35.453 > 3 24 Cl 0.78046599587243 0.82136775898293 0.58476133510656 35.453 > 3 25 Cl 0.21953400412757 0.07136775898293 0.16523866489344 35.453 > 4 26 Cl 0.71953400412757 0.07136775898293 0.16523866489344 35.453 > 4 27 Cl 0.21953400412757 0.57136775898293 0.16523866489344 35.453 > 4 28 Cl 0.71953400412757 0.57136775898293 0.16523866489344 35.453 > 4 29 Cl 0.21953400412757 0.07136775898293 0.66523866489344 35.453 > 4 30 Cl 0.71953400412757 0.07136775898293 0.66523866489344 35.453 > 4 31 Cl 0.21953400412757 0.57136775898293 0.66523866489344 35.453 > 4 32 Cl 0.71953400412757 0.57136775898293 0.66523866489344 35.453 > 4 *33 Cl 0.02455796692321 0.15220515492222 0.42431280946034 35.453 > 5 34 Cl 0.52455796692321 0.15220515492222 0.42431280946034 35.453 > 5 35 Cl 0.02455796692321 0.65220515492222 0.42431280946034 35.453 > 5 36 Cl 0.52455796692321 0.65220515492222 0.42431280946034 35.453 > 5 37 Cl 0.02455796692321 0.15220515492222 0.92431280946034 35.453 > 5 38 Cl 0.52455796692321 0.15220515492222 0.92431280946034 35.453 > 5 39 Cl 0.02455796692321 0.65220515492222 0.92431280946034 35.453 > 5 40 Cl 0.52455796692321 0.65220515492222 0.92431280946034 35.453 > 5 41 Cl 0.47544203307680 0.40220515492222 0.32568719053966 35.453 > 6 42 Cl 0.97544203307680 0.40220515492222 0.32568719053966 35.453 > 6 43 Cl 0.47544203307680 0.90220515492222 0.32568719053966 35.453 > 6 44 Cl 0.97544203307680 0.90220515492222 0.32568719053966 35.453 > 6 45 Cl 0.47544203307680 0.40220515492222 0.82568719053966 35.453 > 6 46 Cl 0.97544203307680 0.40220515492222 0.82568719053966 35.453 > 6 47 Cl 0.47544203307680 0.90220515492222 0.82568719053966 35.453 > 6 48 Cl 0.97544203307680 0.90220515492222 0.82568719053966 35.453 > 6 *49 Cl 0.12224290993312 0.30583070347224 0.23575805239194 35.453 > 7 50 Cl 0.62224290993312 0.30583070347224 0.23575805239194 35.453 > 7 51 Cl 0.12224290993312 0.80583070347223 0.23575805239194 35.453 > 7 52 Cl 0.62224290993312 0.80583070347223 0.23575805239194 35.453 > 7 53 Cl 0.12224290993312 0.30583070347224 0.73575805239194 35.453 > 7 54 Cl 0.62224290993312 0.30583070347224 0.73575805239194 35.453 > 7 55 Cl 0.12224290993312 0.80583070347223 0.73575805239194 35.453 > 7 56 Cl 0.62224290993312 0.80583070347223 0.73575805239194 35.453 > 7 57 Cl 0.37775709006688 0.05583070347224 0.01424194760806 35.453 > 8 58 Cl 0.87775709006688 0.05583070347224 0.01424194760806 35.453 > 8 59 Cl 0.37775709006688 0.55583070347223 0.01424194760806 35.453 > 8 60 Cl 0.87775709006688 0.55583070347223 0.01424194760806 35.453 > 8 61 Cl 0.37775709006688 0.05583070347224 0.51424194760806 35.453 > 8 62 Cl 0.87775709006688 0.05583070347224 0.51424194760806 35.453 > 8 63 Cl 0.37775709006688 0.55583070347223 0.51424194760806 35.453 > 8 64 Cl 0.87775709006688 0.55583070347223 0.51424194760806 35.453 > 8 65 Cl 0.37775709006688 0.19416929652776 0.26424194760806 35.453 > 9 66 Cl 0.87775709006688 0.19416929652776 0.26424194760806 35.453 > 9 67 Cl 0.37775709006688 0.69416929652777 0.26424194760806 35.453 > 9 68 Cl 0.87775709006688 0.69416929652777 0.26424194760806 35.453 > 9 69 Cl 0.37775709006688 0.19416929652776 0.76424194760806 35.453 > 9 70 Cl 0.87775709006688 0.19416929652776 0.76424194760806 35.453 > 9 71 Cl 0.37775709006688 0.69416929652777 0.76424194760806 35.453 > 9 72 Cl 0.87775709006688 0.69416929652777 0.76424194760806 35.453 > 9 73 Cl 0.12224290993312 0.44416929652776 0.48575805239194 35.453 > 10 74 Cl 0.62224290993312 0.44416929652776 0.48575805239194 35.453 > 10 75 Cl 0.12224290993312 0.94416929652777 0.48575805239194 35.453 > 10 76 Cl 0.62224290993312 0.94416929652777 0.48575805239194 35.453 > 10 77 Cl 0.12224290993312 0.44416929652776 0.98575805239194 35.453 > 10 78 Cl 0.62224290993312 0.44416929652776 0.98575805239194 35.453 > 10 79 Cl 0.12224290993312 0.94416929652777 0.98575805239194 35.453 > 10 80 Cl 0.62224290993312 0.94416929652777 0.98575805239194 35.453 > 10 81 Cl 0.02455796692321 0.09779484507778 0.17431280946034 35.453 > 11 82 Cl 0.52455796692321 0.09779484507778 0.17431280946034 35.453 > 11 83 Cl 0.02455796692321 0.59779484507778 0.17431280946034 35.453 > 11 84 Cl 0.52455796692321 0.59779484507778 0.17431280946034 35.453 > 11 85 Cl 0.02455796692321 0.09779484507778 0.67431280946034 35.453 > 11 86 Cl 0.52455796692321 0.09779484507778 0.67431280946034 35.453 > 11 87 Cl 0.02455796692321 0.59779484507778 0.67431280946034 35.453 > 11 88 Cl 0.52455796692321 0.59779484507778 0.67431280946034 35.453 > 11 89 Cl 0.47544203307680 0.34779484507778 0.07568719053966 35.453 > 12 90 Cl 0.97544203307680 0.34779484507778 0.07568719053966 35.453 > 12 91 Cl 0.47544203307680 0.84779484507778 0.07568719053966 35.453 > 12 92 Cl 0.97544203307680 0.84779484507778 0.07568719053966 35.453 > 12 93 Cl 0.47544203307680 0.34779484507778 0.57568719053966 35.453 > 12 94 Cl 0.97544203307680 0.34779484507778 0.57568719053966 35.453 > 12 95 Cl 0.47544203307680 0.84779484507778 0.57568719053966 35.453 > 12 96 Cl 0.97544203307680 0.84779484507778 0.57568719053966 35.453 > 12 *97 Pd 0.00000000000000 0.25000000000000 0.25000000000000 106.420 > 13 98 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 13 99 Pd 0.00000000000000 0.75000000000000 0.25000000000000 106.420 > 13 100 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 13 101 Pd 0.00000000000000 0.25000000000000 0.75000000000000 106.420 > 13 102 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 13 103 Pd 0.00000000000000 0.75000000000000 0.75000000000000 106.420 > 13 104 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 13 105 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 14 106 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 14 107 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 14 108 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 14 109 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 14 110 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 14 111 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 14 112 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 14 *113 Pb 0.13857722816984 0.02474469442798 0.31100923529447 207.200 > 15 114 Pb 0.63857722816983 0.02474469442798 0.31100923529447 207.200 > 15 115 Pb 0.13857722816984 0.52474469442798 0.31100923529447 207.200 > 15 116 Pb 0.63857722816983 0.52474469442798 0.31100923529447 207.200 > 15 117 Pb 0.13857722816984 0.02474469442798 0.81100923529447 207.200 > 15 118 Pb 0.63857722816983 0.02474469442798 0.81100923529447 207.200 > 15 119 Pb 0.13857722816984 0.52474469442798 0.81100923529447 207.200 > 15 120 Pb 0.63857722816983 0.52474469442798 0.81100923529447 207.200 > 15 121 Pb 0.36142277183017 0.27474469442798 0.43899076470553 207.200 > 16 122 Pb 0.86142277183017 0.27474469442798 0.43899076470553 207.200 > 16 123 Pb 0.36142277183017 0.77474469442798 0.43899076470553 207.200 > 16 124 Pb 0.86142277183017 0.77474469442798 0.43899076470553 207.200 > 16 125 Pb 0.36142277183017 0.27474469442798 0.93899076470553 207.200 > 16 126 Pb 0.86142277183017 0.27474469442798 0.93899076470553 207.200 > 16 127 Pb 0.36142277183017 0.77474469442798 0.93899076470553 207.200 > 16 128 Pb 0.86142277183017 0.77474469442798 0.93899076470553 207.200 > 16 129 Pb 0.36142277183017 0.47525530557202 0.18899076470553 207.200 > 17 130 Pb 0.86142277183017 0.47525530557202 0.18899076470553 207.200 > 17 131 Pb 0.36142277183017 0.97525530557202 0.18899076470553 207.200 > 17 132 Pb 0.86142277183017 0.97525530557202 0.18899076470553 207.200 > 17 133 Pb 0.36142277183017 0.47525530557202 0.68899076470553 207.200 > 17 134 Pb 0.86142277183017 0.47525530557202 0.68899076470553 207.200 > 17 135 Pb 0.36142277183017 0.97525530557202 0.68899076470553 207.200 > 17 136 Pb 0.86142277183017 0.97525530557202 0.68899076470553 207.200 > 17 137 Pb 0.13857722816984 0.22525530557202 0.06100923529447 207.200 > 18 138 Pb 0.63857722816983 0.22525530557202 0.06100923529447 207.200 > 18 139 Pb 0.13857722816984 0.72525530557202 0.06100923529447 207.200 > 18 140 Pb 0.63857722816983 0.72525530557202 0.06100923529447 207.200 > 18 141 Pb 0.13857722816984 0.22525530557202 0.56100923529447 207.200 > 18 142 Pb 0.63857722816983 0.22525530557202 0.56100923529447 207.200 > 18 143 Pb 0.13857722816984 0.72525530557202 0.56100923529447 207.200 > 18 144 Pb 0.63857722816983 0.72525530557202 0.56100923529447 207.200 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5410185 0.0000000 -0.2305423 0.0000000 5.6822912 0.0000000 -0.2305447 0.0000000 5.9077136 -------------------------- Born effective charges -------------------------- 1 Cl -2.3367082 -0.7094584 0.0413789 -0.7990256 -1.3144644 -0.8650996 0.1268878 -0.6502225 -1.7596935 2 Cl -2.3367082 0.7094584 0.0413789 0.7990256 -1.3144644 0.8650996 0.1268878 0.6502225 -1.7596935 3 Cl -2.3367082 -0.7094584 0.0413789 -0.7990256 -1.3144644 -0.8650996 0.1268878 -0.6502225 -1.7596935 4 Cl -2.3367082 0.7094584 0.0413789 0.7990256 -1.3144644 0.8650996 0.1268878 0.6502225 -1.7596935 5 Cl -1.2232280 0.0620034 -0.0281236 -0.1405660 -1.3462197 -0.3455943 0.1671198 0.2033325 -0.8370959 6 Cl -1.2232280 -0.0620034 -0.0281236 0.1405660 -1.3462197 0.3455943 0.1671198 -0.2033325 -0.8370959 7 Cl -0.9425751 -0.3484606 0.2097304 -0.2638957 -1.1778154 -0.4150811 0.1207182 -0.4214928 -1.1737448 8 Cl -0.9425751 0.3484606 0.2097304 0.2638957 -1.1778154 0.4150811 0.1207182 0.4214928 -1.1737448 9 Cl -0.9425751 -0.3484606 0.2097304 -0.2638957 -1.1778154 -0.4150811 0.1207182 -0.4214928 -1.1737448 10 Cl -0.9425751 0.3484606 0.2097304 0.2638957 -1.1778154 0.4150811 0.1207182 0.4214928 -1.1737448 11 Cl -1.2232280 -0.0620034 -0.0281236 0.1405660 -1.3462197 0.3455943 0.1671198 -0.2033325 -0.8370959 12 Cl -1.2232280 0.0620034 -0.0281236 -0.1405660 -1.3462197 -0.3455943 0.1671198 0.2033325 -0.8370959 13 Pd 1.0673368 -0.0016216 -0.2637567 0.1818768 1.0125105 0.3907900 -0.6580593 0.4152739 -0.1577764 14 Pd 1.0673368 0.0016216 -0.2637567 -0.1818768 1.0125105 -0.3907900 -0.6580593 -0.4152739 -0.1577764 15 Pb 3.9688429 0.2205840 -0.0911074 0.0278989 3.3322443 0.0221078 -0.0856961 0.5289322 3.8494224 16 Pb 3.9688429 -0.2205840 -0.0911074 -0.0278989 3.3322443 -0.0221078 -0.0856961 -0.5289322 3.8494224 17 Pb 3.9688429 0.2205840 -0.0911074 0.0278989 3.3322443 0.0221078 -0.0856961 0.5289322 3.8494224 18 Pb 3.9688429 -0.2205840 -0.0911074 -0.0278989 3.3322443 -0.0221078 -0.0856961 -0.5289322 3.8494224 ---------------------------------------------------------------------------- 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: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 2998), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.172 Solver_block: 200 / 560 - Time: 1.153 Solver_block: 300 / 560 - Time: 1.176 Solver_block: 400 / 560 - Time: 1.168 Solver_block: 500 / 560 - Time: 1.153 Solver_block: 560 / 560 - Time: 0.730 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.699 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 2998), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:45:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:45:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.884571140007507 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200837769999998 0.000000000000000 c -0.144107001106061 0.000000000000000 8.068339867346850 Atomic positions (fractional): 1 Cl 0.43906800825515 0.35726448203415 0.83047732978687 35.453 2 Cl 0.56093199174485 0.85726448203414 0.66952267021313 35.453 3 Cl 0.56093199174485 0.64273551796586 0.16952267021313 35.453 4 Cl 0.43906800825515 0.14273551796586 0.33047732978687 35.453 5 Cl 0.04911593384641 0.30441030984445 0.84862561892068 35.453 6 Cl 0.95088406615359 0.80441030984445 0.65137438107932 35.453 7 Cl 0.24448581986623 0.61166140694447 0.47151610478389 35.453 8 Cl 0.75551418013377 0.11166140694447 0.02848389521611 35.453 9 Cl 0.75551418013377 0.38833859305553 0.52848389521611 35.453 10 Cl 0.24448581986623 0.88833859305553 0.97151610478389 35.453 11 Cl 0.04911593384641 0.19558969015555 0.34862561892068 35.453 12 Cl 0.95088406615359 0.69558969015555 0.15137438107932 35.453 13 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 14 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 15 Pb 0.27715445633967 0.04948938885596 0.62201847058893 207.200 16 Pb 0.72284554366033 0.54948938885596 0.87798152941107 207.200 17 Pb 0.72284554366033 0.95051061114404 0.37798152941107 207.200 18 Pb 0.27715445633967 0.45051061114404 0.12201847058893 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.769142280015014 0.000000000000000 0.000000000000000 b 0.000000000000000 12.401675539999996 0.000000000000000 c -0.288214002212122 0.000000000000000 16.136679734693701 Atomic positions (fractional): 1 Cl 0.21953400412757 0.17863224101707 0.41523866489344 35.453 > 1 2 Cl 0.71953400412757 0.17863224101707 0.41523866489344 35.453 > 1 3 Cl 0.21953400412757 0.67863224101707 0.41523866489344 35.453 > 1 4 Cl 0.71953400412757 0.67863224101707 0.41523866489344 35.453 > 1 5 Cl 0.21953400412757 0.17863224101707 0.91523866489344 35.453 > 1 6 Cl 0.71953400412757 0.17863224101707 0.91523866489344 35.453 > 1 7 Cl 0.21953400412757 0.67863224101707 0.91523866489344 35.453 > 1 8 Cl 0.71953400412757 0.67863224101707 0.91523866489344 35.453 > 1 9 Cl 0.28046599587243 0.42863224101707 0.33476133510656 35.453 > 9 10 Cl 0.78046599587243 0.42863224101707 0.33476133510656 35.453 > 9 11 Cl 0.28046599587243 0.92863224101707 0.33476133510656 35.453 > 9 12 Cl 0.78046599587243 0.92863224101707 0.33476133510656 35.453 > 9 13 Cl 0.28046599587243 0.42863224101707 0.83476133510656 35.453 > 9 14 Cl 0.78046599587243 0.42863224101707 0.83476133510656 35.453 > 9 15 Cl 0.28046599587243 0.92863224101707 0.83476133510656 35.453 > 9 16 Cl 0.78046599587243 0.92863224101707 0.83476133510656 35.453 > 9 17 Cl 0.28046599587243 0.32136775898293 0.08476133510656 35.453 > 17 18 Cl 0.78046599587243 0.32136775898293 0.08476133510656 35.453 > 17 19 Cl 0.28046599587243 0.82136775898293 0.08476133510656 35.453 > 17 20 Cl 0.78046599587243 0.82136775898293 0.08476133510656 35.453 > 17 21 Cl 0.28046599587243 0.32136775898293 0.58476133510656 35.453 > 17 22 Cl 0.78046599587243 0.32136775898293 0.58476133510656 35.453 > 17 23 Cl 0.28046599587243 0.82136775898293 0.58476133510656 35.453 > 17 24 Cl 0.78046599587243 0.82136775898293 0.58476133510656 35.453 > 17 25 Cl 0.21953400412757 0.07136775898293 0.16523866489344 35.453 > 25 26 Cl 0.71953400412757 0.07136775898293 0.16523866489344 35.453 > 25 27 Cl 0.21953400412757 0.57136775898293 0.16523866489344 35.453 > 25 28 Cl 0.71953400412757 0.57136775898293 0.16523866489344 35.453 > 25 29 Cl 0.21953400412757 0.07136775898293 0.66523866489344 35.453 > 25 30 Cl 0.71953400412757 0.07136775898293 0.66523866489344 35.453 > 25 31 Cl 0.21953400412757 0.57136775898293 0.66523866489344 35.453 > 25 32 Cl 0.71953400412757 0.57136775898293 0.66523866489344 35.453 > 25 33 Cl 0.02455796692321 0.15220515492222 0.42431280946034 35.453 > 33 34 Cl 0.52455796692321 0.15220515492222 0.42431280946034 35.453 > 33 35 Cl 0.02455796692321 0.65220515492222 0.42431280946034 35.453 > 33 36 Cl 0.52455796692321 0.65220515492222 0.42431280946034 35.453 > 33 37 Cl 0.02455796692321 0.15220515492222 0.92431280946034 35.453 > 33 38 Cl 0.52455796692321 0.15220515492222 0.92431280946034 35.453 > 33 39 Cl 0.02455796692321 0.65220515492222 0.92431280946034 35.453 > 33 40 Cl 0.52455796692321 0.65220515492222 0.92431280946034 35.453 > 33 41 Cl 0.47544203307680 0.40220515492222 0.32568719053966 35.453 > 41 42 Cl 0.97544203307680 0.40220515492222 0.32568719053966 35.453 > 41 43 Cl 0.47544203307680 0.90220515492222 0.32568719053966 35.453 > 41 44 Cl 0.97544203307680 0.90220515492222 0.32568719053966 35.453 > 41 45 Cl 0.47544203307680 0.40220515492222 0.82568719053966 35.453 > 41 46 Cl 0.97544203307680 0.40220515492222 0.82568719053966 35.453 > 41 47 Cl 0.47544203307680 0.90220515492222 0.82568719053966 35.453 > 41 48 Cl 0.97544203307680 0.90220515492222 0.82568719053966 35.453 > 41 49 Cl 0.12224290993312 0.30583070347224 0.23575805239194 35.453 > 49 50 Cl 0.62224290993312 0.30583070347224 0.23575805239194 35.453 > 49 51 Cl 0.12224290993312 0.80583070347223 0.23575805239194 35.453 > 49 52 Cl 0.62224290993312 0.80583070347223 0.23575805239194 35.453 > 49 53 Cl 0.12224290993312 0.30583070347224 0.73575805239194 35.453 > 49 54 Cl 0.62224290993312 0.30583070347224 0.73575805239194 35.453 > 49 55 Cl 0.12224290993312 0.80583070347223 0.73575805239194 35.453 > 49 56 Cl 0.62224290993312 0.80583070347223 0.73575805239194 35.453 > 49 57 Cl 0.37775709006688 0.05583070347224 0.01424194760806 35.453 > 57 58 Cl 0.87775709006688 0.05583070347224 0.01424194760806 35.453 > 57 59 Cl 0.37775709006688 0.55583070347223 0.01424194760806 35.453 > 57 60 Cl 0.87775709006688 0.55583070347223 0.01424194760806 35.453 > 57 61 Cl 0.37775709006688 0.05583070347224 0.51424194760806 35.453 > 57 62 Cl 0.87775709006688 0.05583070347224 0.51424194760806 35.453 > 57 63 Cl 0.37775709006688 0.55583070347223 0.51424194760806 35.453 > 57 64 Cl 0.87775709006688 0.55583070347223 0.51424194760806 35.453 > 57 65 Cl 0.37775709006688 0.19416929652776 0.26424194760806 35.453 > 65 66 Cl 0.87775709006688 0.19416929652776 0.26424194760806 35.453 > 65 67 Cl 0.37775709006688 0.69416929652777 0.26424194760806 35.453 > 65 68 Cl 0.87775709006688 0.69416929652777 0.26424194760806 35.453 > 65 69 Cl 0.37775709006688 0.19416929652776 0.76424194760806 35.453 > 65 70 Cl 0.87775709006688 0.19416929652776 0.76424194760806 35.453 > 65 71 Cl 0.37775709006688 0.69416929652777 0.76424194760806 35.453 > 65 72 Cl 0.87775709006688 0.69416929652777 0.76424194760806 35.453 > 65 73 Cl 0.12224290993312 0.44416929652776 0.48575805239194 35.453 > 73 74 Cl 0.62224290993312 0.44416929652776 0.48575805239194 35.453 > 73 75 Cl 0.12224290993312 0.94416929652777 0.48575805239194 35.453 > 73 76 Cl 0.62224290993312 0.94416929652777 0.48575805239194 35.453 > 73 77 Cl 0.12224290993312 0.44416929652776 0.98575805239194 35.453 > 73 78 Cl 0.62224290993312 0.44416929652776 0.98575805239194 35.453 > 73 79 Cl 0.12224290993312 0.94416929652777 0.98575805239194 35.453 > 73 80 Cl 0.62224290993312 0.94416929652777 0.98575805239194 35.453 > 73 81 Cl 0.02455796692321 0.09779484507778 0.17431280946034 35.453 > 81 82 Cl 0.52455796692321 0.09779484507778 0.17431280946034 35.453 > 81 83 Cl 0.02455796692321 0.59779484507778 0.17431280946034 35.453 > 81 84 Cl 0.52455796692321 0.59779484507778 0.17431280946034 35.453 > 81 85 Cl 0.02455796692321 0.09779484507778 0.67431280946034 35.453 > 81 86 Cl 0.52455796692321 0.09779484507778 0.67431280946034 35.453 > 81 87 Cl 0.02455796692321 0.59779484507778 0.67431280946034 35.453 > 81 88 Cl 0.52455796692321 0.59779484507778 0.67431280946034 35.453 > 81 89 Cl 0.47544203307680 0.34779484507778 0.07568719053966 35.453 > 89 90 Cl 0.97544203307680 0.34779484507778 0.07568719053966 35.453 > 89 91 Cl 0.47544203307680 0.84779484507778 0.07568719053966 35.453 > 89 92 Cl 0.97544203307680 0.84779484507778 0.07568719053966 35.453 > 89 93 Cl 0.47544203307680 0.34779484507778 0.57568719053966 35.453 > 89 94 Cl 0.97544203307680 0.34779484507778 0.57568719053966 35.453 > 89 95 Cl 0.47544203307680 0.84779484507778 0.57568719053966 35.453 > 89 96 Cl 0.97544203307680 0.84779484507778 0.57568719053966 35.453 > 89 97 Pd 0.00000000000000 0.25000000000000 0.25000000000000 106.420 > 97 98 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 97 99 Pd 0.00000000000000 0.75000000000000 0.25000000000000 106.420 > 97 100 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 97 101 Pd 0.00000000000000 0.25000000000000 0.75000000000000 106.420 > 97 102 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 97 103 Pd 0.00000000000000 0.75000000000000 0.75000000000000 106.420 > 97 104 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 97 105 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 105 106 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 105 107 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 105 108 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 105 109 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 105 110 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 105 111 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 105 112 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 105 113 Pb 0.13857722816984 0.02474469442798 0.31100923529447 207.200 > 113 114 Pb 0.63857722816983 0.02474469442798 0.31100923529447 207.200 > 113 115 Pb 0.13857722816984 0.52474469442798 0.31100923529447 207.200 > 113 116 Pb 0.63857722816983 0.52474469442798 0.31100923529447 207.200 > 113 117 Pb 0.13857722816984 0.02474469442798 0.81100923529447 207.200 > 113 118 Pb 0.63857722816983 0.02474469442798 0.81100923529447 207.200 > 113 119 Pb 0.13857722816984 0.52474469442798 0.81100923529447 207.200 > 113 120 Pb 0.63857722816983 0.52474469442798 0.81100923529447 207.200 > 113 121 Pb 0.36142277183017 0.27474469442798 0.43899076470553 207.200 > 121 122 Pb 0.86142277183017 0.27474469442798 0.43899076470553 207.200 > 121 123 Pb 0.36142277183017 0.77474469442798 0.43899076470553 207.200 > 121 124 Pb 0.86142277183017 0.77474469442798 0.43899076470553 207.200 > 121 125 Pb 0.36142277183017 0.27474469442798 0.93899076470553 207.200 > 121 126 Pb 0.86142277183017 0.27474469442798 0.93899076470553 207.200 > 121 127 Pb 0.36142277183017 0.77474469442798 0.93899076470553 207.200 > 121 128 Pb 0.86142277183017 0.77474469442798 0.93899076470553 207.200 > 121 129 Pb 0.36142277183017 0.47525530557202 0.18899076470553 207.200 > 129 130 Pb 0.86142277183017 0.47525530557202 0.18899076470553 207.200 > 129 131 Pb 0.36142277183017 0.97525530557202 0.18899076470553 207.200 > 129 132 Pb 0.86142277183017 0.97525530557202 0.18899076470553 207.200 > 129 133 Pb 0.36142277183017 0.47525530557202 0.68899076470553 207.200 > 129 134 Pb 0.86142277183017 0.47525530557202 0.68899076470553 207.200 > 129 135 Pb 0.36142277183017 0.97525530557202 0.68899076470553 207.200 > 129 136 Pb 0.86142277183017 0.97525530557202 0.68899076470553 207.200 > 129 137 Pb 0.13857722816984 0.22525530557202 0.06100923529447 207.200 > 137 138 Pb 0.63857722816983 0.22525530557202 0.06100923529447 207.200 > 137 139 Pb 0.13857722816984 0.72525530557202 0.06100923529447 207.200 > 137 140 Pb 0.63857722816983 0.72525530557202 0.06100923529447 207.200 > 137 141 Pb 0.13857722816984 0.22525530557202 0.56100923529447 207.200 > 137 142 Pb 0.63857722816983 0.22525530557202 0.56100923529447 207.200 > 137 143 Pb 0.13857722816984 0.72525530557202 0.56100923529447 207.200 > 137 144 Pb 0.63857722816983 0.72525530557202 0.56100923529447 207.200 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5410185 0.0000000 -0.2305423 0.0000000 5.6822912 0.0000000 -0.2305447 0.0000000 5.9077136 -------------------------- Born effective charges -------------------------- 1 Cl -2.3367082 -0.7094584 0.0413789 -0.7990256 -1.3144644 -0.8650996 0.1268878 -0.6502225 -1.7596935 2 Cl -2.3367082 0.7094584 0.0413789 0.7990256 -1.3144644 0.8650996 0.1268878 0.6502225 -1.7596935 3 Cl -2.3367082 -0.7094584 0.0413789 -0.7990256 -1.3144644 -0.8650996 0.1268878 -0.6502225 -1.7596935 4 Cl -2.3367082 0.7094584 0.0413789 0.7990256 -1.3144644 0.8650996 0.1268878 0.6502225 -1.7596935 5 Cl -1.2232280 0.0620034 -0.0281236 -0.1405660 -1.3462197 -0.3455943 0.1671198 0.2033325 -0.8370959 6 Cl -1.2232280 -0.0620034 -0.0281236 0.1405660 -1.3462197 0.3455943 0.1671198 -0.2033325 -0.8370959 7 Cl -0.9425751 -0.3484606 0.2097304 -0.2638957 -1.1778154 -0.4150811 0.1207182 -0.4214928 -1.1737448 8 Cl -0.9425751 0.3484606 0.2097304 0.2638957 -1.1778154 0.4150811 0.1207182 0.4214928 -1.1737448 9 Cl -0.9425751 -0.3484606 0.2097304 -0.2638957 -1.1778154 -0.4150811 0.1207182 -0.4214928 -1.1737448 10 Cl -0.9425751 0.3484606 0.2097304 0.2638957 -1.1778154 0.4150811 0.1207182 0.4214928 -1.1737448 11 Cl -1.2232280 -0.0620034 -0.0281236 0.1405660 -1.3462197 0.3455943 0.1671198 -0.2033325 -0.8370959 12 Cl -1.2232280 0.0620034 -0.0281236 -0.1405660 -1.3462197 -0.3455943 0.1671198 0.2033325 -0.8370959 13 Pd 1.0673368 -0.0016216 -0.2637567 0.1818768 1.0125105 0.3907900 -0.6580593 0.4152739 -0.1577764 14 Pd 1.0673368 0.0016216 -0.2637567 -0.1818768 1.0125105 -0.3907900 -0.6580593 -0.4152739 -0.1577764 15 Pb 3.9688429 0.2205840 -0.0911074 0.0278989 3.3322443 0.0221078 -0.0856961 0.5289322 3.8494224 16 Pb 3.9688429 -0.2205840 -0.0911074 -0.0278989 3.3322443 -0.0221078 -0.0856961 -0.5289322 3.8494224 17 Pb 3.9688429 0.2205840 -0.0911074 0.0278989 3.3322443 0.0221078 -0.0856961 0.5289322 3.8494224 18 Pb 3.9688429 -0.2205840 -0.0911074 -0.0278989 3.3322443 -0.0221078 -0.0856961 -0.5289322 3.8494224 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (zy) 0.00000007 (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 07:46:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:46:16]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.884571140007507 0.000000000000000 0.000000000000000 b 0.000000000000000 6.200837769999998 0.000000000000000 c -0.144107001106061 0.000000000000000 8.068339867346850 Atomic positions (fractional): 1 Cl 0.43906800825515 0.35726448203415 0.83047732978687 35.453 2 Cl 0.56093199174485 0.85726448203414 0.66952267021313 35.453 3 Cl 0.56093199174485 0.64273551796586 0.16952267021313 35.453 4 Cl 0.43906800825515 0.14273551796586 0.33047732978687 35.453 5 Cl 0.04911593384641 0.30441030984445 0.84862561892068 35.453 6 Cl 0.95088406615359 0.80441030984445 0.65137438107932 35.453 7 Cl 0.24448581986623 0.61166140694447 0.47151610478389 35.453 8 Cl 0.75551418013377 0.11166140694447 0.02848389521611 35.453 9 Cl 0.75551418013377 0.38833859305553 0.52848389521611 35.453 10 Cl 0.24448581986623 0.88833859305553 0.97151610478389 35.453 11 Cl 0.04911593384641 0.19558969015555 0.34862561892068 35.453 12 Cl 0.95088406615359 0.69558969015555 0.15137438107932 35.453 13 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 14 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 15 Pb 0.27715445633967 0.04948938885596 0.62201847058893 207.200 16 Pb 0.72284554366033 0.54948938885596 0.87798152941107 207.200 17 Pb 0.72284554366033 0.95051061114404 0.37798152941107 207.200 18 Pb 0.27715445633967 0.45051061114404 0.12201847058893 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.769142280015014 0.000000000000000 0.000000000000000 b 0.000000000000000 12.401675539999996 0.000000000000000 c -0.288214002212122 0.000000000000000 16.136679734693701 Atomic positions (fractional): 1 Cl 0.21953400412757 0.17863224101707 0.41523866489344 35.453 > 1 2 Cl 0.71953400412757 0.17863224101707 0.41523866489344 35.453 > 1 3 Cl 0.21953400412757 0.67863224101707 0.41523866489344 35.453 > 1 4 Cl 0.71953400412757 0.67863224101707 0.41523866489344 35.453 > 1 5 Cl 0.21953400412757 0.17863224101707 0.91523866489344 35.453 > 1 6 Cl 0.71953400412757 0.17863224101707 0.91523866489344 35.453 > 1 7 Cl 0.21953400412757 0.67863224101707 0.91523866489344 35.453 > 1 8 Cl 0.71953400412757 0.67863224101707 0.91523866489344 35.453 > 1 9 Cl 0.28046599587243 0.42863224101707 0.33476133510656 35.453 > 9 10 Cl 0.78046599587243 0.42863224101707 0.33476133510656 35.453 > 9 11 Cl 0.28046599587243 0.92863224101707 0.33476133510656 35.453 > 9 12 Cl 0.78046599587243 0.92863224101707 0.33476133510656 35.453 > 9 13 Cl 0.28046599587243 0.42863224101707 0.83476133510656 35.453 > 9 14 Cl 0.78046599587243 0.42863224101707 0.83476133510656 35.453 > 9 15 Cl 0.28046599587243 0.92863224101707 0.83476133510656 35.453 > 9 16 Cl 0.78046599587243 0.92863224101707 0.83476133510656 35.453 > 9 17 Cl 0.28046599587243 0.32136775898293 0.08476133510656 35.453 > 17 18 Cl 0.78046599587243 0.32136775898293 0.08476133510656 35.453 > 17 19 Cl 0.28046599587243 0.82136775898293 0.08476133510656 35.453 > 17 20 Cl 0.78046599587243 0.82136775898293 0.08476133510656 35.453 > 17 21 Cl 0.28046599587243 0.32136775898293 0.58476133510656 35.453 > 17 22 Cl 0.78046599587243 0.32136775898293 0.58476133510656 35.453 > 17 23 Cl 0.28046599587243 0.82136775898293 0.58476133510656 35.453 > 17 24 Cl 0.78046599587243 0.82136775898293 0.58476133510656 35.453 > 17 25 Cl 0.21953400412757 0.07136775898293 0.16523866489344 35.453 > 25 26 Cl 0.71953400412757 0.07136775898293 0.16523866489344 35.453 > 25 27 Cl 0.21953400412757 0.57136775898293 0.16523866489344 35.453 > 25 28 Cl 0.71953400412757 0.57136775898293 0.16523866489344 35.453 > 25 29 Cl 0.21953400412757 0.07136775898293 0.66523866489344 35.453 > 25 30 Cl 0.71953400412757 0.07136775898293 0.66523866489344 35.453 > 25 31 Cl 0.21953400412757 0.57136775898293 0.66523866489344 35.453 > 25 32 Cl 0.71953400412757 0.57136775898293 0.66523866489344 35.453 > 25 33 Cl 0.02455796692321 0.15220515492222 0.42431280946034 35.453 > 33 34 Cl 0.52455796692321 0.15220515492222 0.42431280946034 35.453 > 33 35 Cl 0.02455796692321 0.65220515492222 0.42431280946034 35.453 > 33 36 Cl 0.52455796692321 0.65220515492222 0.42431280946034 35.453 > 33 37 Cl 0.02455796692321 0.15220515492222 0.92431280946034 35.453 > 33 38 Cl 0.52455796692321 0.15220515492222 0.92431280946034 35.453 > 33 39 Cl 0.02455796692321 0.65220515492222 0.92431280946034 35.453 > 33 40 Cl 0.52455796692321 0.65220515492222 0.92431280946034 35.453 > 33 41 Cl 0.47544203307680 0.40220515492222 0.32568719053966 35.453 > 41 42 Cl 0.97544203307680 0.40220515492222 0.32568719053966 35.453 > 41 43 Cl 0.47544203307680 0.90220515492222 0.32568719053966 35.453 > 41 44 Cl 0.97544203307680 0.90220515492222 0.32568719053966 35.453 > 41 45 Cl 0.47544203307680 0.40220515492222 0.82568719053966 35.453 > 41 46 Cl 0.97544203307680 0.40220515492222 0.82568719053966 35.453 > 41 47 Cl 0.47544203307680 0.90220515492222 0.82568719053966 35.453 > 41 48 Cl 0.97544203307680 0.90220515492222 0.82568719053966 35.453 > 41 49 Cl 0.12224290993312 0.30583070347224 0.23575805239194 35.453 > 49 50 Cl 0.62224290993312 0.30583070347224 0.23575805239194 35.453 > 49 51 Cl 0.12224290993312 0.80583070347223 0.23575805239194 35.453 > 49 52 Cl 0.62224290993312 0.80583070347223 0.23575805239194 35.453 > 49 53 Cl 0.12224290993312 0.30583070347224 0.73575805239194 35.453 > 49 54 Cl 0.62224290993312 0.30583070347224 0.73575805239194 35.453 > 49 55 Cl 0.12224290993312 0.80583070347223 0.73575805239194 35.453 > 49 56 Cl 0.62224290993312 0.80583070347223 0.73575805239194 35.453 > 49 57 Cl 0.37775709006688 0.05583070347224 0.01424194760806 35.453 > 57 58 Cl 0.87775709006688 0.05583070347224 0.01424194760806 35.453 > 57 59 Cl 0.37775709006688 0.55583070347223 0.01424194760806 35.453 > 57 60 Cl 0.87775709006688 0.55583070347223 0.01424194760806 35.453 > 57 61 Cl 0.37775709006688 0.05583070347224 0.51424194760806 35.453 > 57 62 Cl 0.87775709006688 0.05583070347224 0.51424194760806 35.453 > 57 63 Cl 0.37775709006688 0.55583070347223 0.51424194760806 35.453 > 57 64 Cl 0.87775709006688 0.55583070347223 0.51424194760806 35.453 > 57 65 Cl 0.37775709006688 0.19416929652776 0.26424194760806 35.453 > 65 66 Cl 0.87775709006688 0.19416929652776 0.26424194760806 35.453 > 65 67 Cl 0.37775709006688 0.69416929652777 0.26424194760806 35.453 > 65 68 Cl 0.87775709006688 0.69416929652777 0.26424194760806 35.453 > 65 69 Cl 0.37775709006688 0.19416929652776 0.76424194760806 35.453 > 65 70 Cl 0.87775709006688 0.19416929652776 0.76424194760806 35.453 > 65 71 Cl 0.37775709006688 0.69416929652777 0.76424194760806 35.453 > 65 72 Cl 0.87775709006688 0.69416929652777 0.76424194760806 35.453 > 65 73 Cl 0.12224290993312 0.44416929652776 0.48575805239194 35.453 > 73 74 Cl 0.62224290993312 0.44416929652776 0.48575805239194 35.453 > 73 75 Cl 0.12224290993312 0.94416929652777 0.48575805239194 35.453 > 73 76 Cl 0.62224290993312 0.94416929652777 0.48575805239194 35.453 > 73 77 Cl 0.12224290993312 0.44416929652776 0.98575805239194 35.453 > 73 78 Cl 0.62224290993312 0.44416929652776 0.98575805239194 35.453 > 73 79 Cl 0.12224290993312 0.94416929652777 0.98575805239194 35.453 > 73 80 Cl 0.62224290993312 0.94416929652777 0.98575805239194 35.453 > 73 81 Cl 0.02455796692321 0.09779484507778 0.17431280946034 35.453 > 81 82 Cl 0.52455796692321 0.09779484507778 0.17431280946034 35.453 > 81 83 Cl 0.02455796692321 0.59779484507778 0.17431280946034 35.453 > 81 84 Cl 0.52455796692321 0.59779484507778 0.17431280946034 35.453 > 81 85 Cl 0.02455796692321 0.09779484507778 0.67431280946034 35.453 > 81 86 Cl 0.52455796692321 0.09779484507778 0.67431280946034 35.453 > 81 87 Cl 0.02455796692321 0.59779484507778 0.67431280946034 35.453 > 81 88 Cl 0.52455796692321 0.59779484507778 0.67431280946034 35.453 > 81 89 Cl 0.47544203307680 0.34779484507778 0.07568719053966 35.453 > 89 90 Cl 0.97544203307680 0.34779484507778 0.07568719053966 35.453 > 89 91 Cl 0.47544203307680 0.84779484507778 0.07568719053966 35.453 > 89 92 Cl 0.97544203307680 0.84779484507778 0.07568719053966 35.453 > 89 93 Cl 0.47544203307680 0.34779484507778 0.57568719053966 35.453 > 89 94 Cl 0.97544203307680 0.34779484507778 0.57568719053966 35.453 > 89 95 Cl 0.47544203307680 0.84779484507778 0.57568719053966 35.453 > 89 96 Cl 0.97544203307680 0.84779484507778 0.57568719053966 35.453 > 89 97 Pd 0.00000000000000 0.25000000000000 0.25000000000000 106.420 > 97 98 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 97 99 Pd 0.00000000000000 0.75000000000000 0.25000000000000 106.420 > 97 100 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 97 101 Pd 0.00000000000000 0.25000000000000 0.75000000000000 106.420 > 97 102 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 97 103 Pd 0.00000000000000 0.75000000000000 0.75000000000000 106.420 > 97 104 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 97 105 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 105 106 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 105 107 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 105 108 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 105 109 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 105 110 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 105 111 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 105 112 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 105 113 Pb 0.13857722816984 0.02474469442798 0.31100923529447 207.200 > 113 114 Pb 0.63857722816983 0.02474469442798 0.31100923529447 207.200 > 113 115 Pb 0.13857722816984 0.52474469442798 0.31100923529447 207.200 > 113 116 Pb 0.63857722816983 0.52474469442798 0.31100923529447 207.200 > 113 117 Pb 0.13857722816984 0.02474469442798 0.81100923529447 207.200 > 113 118 Pb 0.63857722816983 0.02474469442798 0.81100923529447 207.200 > 113 119 Pb 0.13857722816984 0.52474469442798 0.81100923529447 207.200 > 113 120 Pb 0.63857722816983 0.52474469442798 0.81100923529447 207.200 > 113 121 Pb 0.36142277183017 0.27474469442798 0.43899076470553 207.200 > 121 122 Pb 0.86142277183017 0.27474469442798 0.43899076470553 207.200 > 121 123 Pb 0.36142277183017 0.77474469442798 0.43899076470553 207.200 > 121 124 Pb 0.86142277183017 0.77474469442798 0.43899076470553 207.200 > 121 125 Pb 0.36142277183017 0.27474469442798 0.93899076470553 207.200 > 121 126 Pb 0.86142277183017 0.27474469442798 0.93899076470553 207.200 > 121 127 Pb 0.36142277183017 0.77474469442798 0.93899076470553 207.200 > 121 128 Pb 0.86142277183017 0.77474469442798 0.93899076470553 207.200 > 121 129 Pb 0.36142277183017 0.47525530557202 0.18899076470553 207.200 > 129 130 Pb 0.86142277183017 0.47525530557202 0.18899076470553 207.200 > 129 131 Pb 0.36142277183017 0.97525530557202 0.18899076470553 207.200 > 129 132 Pb 0.86142277183017 0.97525530557202 0.18899076470553 207.200 > 129 133 Pb 0.36142277183017 0.47525530557202 0.68899076470553 207.200 > 129 134 Pb 0.86142277183017 0.47525530557202 0.68899076470553 207.200 > 129 135 Pb 0.36142277183017 0.97525530557202 0.68899076470553 207.200 > 129 136 Pb 0.86142277183017 0.97525530557202 0.68899076470553 207.200 > 129 137 Pb 0.13857722816984 0.22525530557202 0.06100923529447 207.200 > 137 138 Pb 0.63857722816983 0.22525530557202 0.06100923529447 207.200 > 137 139 Pb 0.13857722816984 0.72525530557202 0.06100923529447 207.200 > 137 140 Pb 0.63857722816983 0.72525530557202 0.06100923529447 207.200 > 137 141 Pb 0.13857722816984 0.22525530557202 0.56100923529447 207.200 > 137 142 Pb 0.63857722816983 0.22525530557202 0.56100923529447 207.200 > 137 143 Pb 0.13857722816984 0.72525530557202 0.56100923529447 207.200 > 137 144 Pb 0.63857722816983 0.72525530557202 0.56100923529447 207.200 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5410185 0.0000000 -0.2305423 0.0000000 5.6822912 0.0000000 -0.2305447 0.0000000 5.9077136 -------------------------- Born effective charges -------------------------- 1 Cl -2.3367082 -0.7094584 0.0413789 -0.7990256 -1.3144644 -0.8650996 0.1268878 -0.6502225 -1.7596935 2 Cl -2.3367082 0.7094584 0.0413789 0.7990256 -1.3144644 0.8650996 0.1268878 0.6502225 -1.7596935 3 Cl -2.3367082 -0.7094584 0.0413789 -0.7990256 -1.3144644 -0.8650996 0.1268878 -0.6502225 -1.7596935 4 Cl -2.3367082 0.7094584 0.0413789 0.7990256 -1.3144644 0.8650996 0.1268878 0.6502225 -1.7596935 5 Cl -1.2232280 0.0620034 -0.0281236 -0.1405660 -1.3462197 -0.3455943 0.1671198 0.2033325 -0.8370959 6 Cl -1.2232280 -0.0620034 -0.0281236 0.1405660 -1.3462197 0.3455943 0.1671198 -0.2033325 -0.8370959 7 Cl -0.9425751 -0.3484606 0.2097304 -0.2638957 -1.1778154 -0.4150811 0.1207182 -0.4214928 -1.1737448 8 Cl -0.9425751 0.3484606 0.2097304 0.2638957 -1.1778154 0.4150811 0.1207182 0.4214928 -1.1737448 9 Cl -0.9425751 -0.3484606 0.2097304 -0.2638957 -1.1778154 -0.4150811 0.1207182 -0.4214928 -1.1737448 10 Cl -0.9425751 0.3484606 0.2097304 0.2638957 -1.1778154 0.4150811 0.1207182 0.4214928 -1.1737448 11 Cl -1.2232280 -0.0620034 -0.0281236 0.1405660 -1.3462197 0.3455943 0.1671198 -0.2033325 -0.8370959 12 Cl -1.2232280 0.0620034 -0.0281236 -0.1405660 -1.3462197 -0.3455943 0.1671198 0.2033325 -0.8370959 13 Pd 1.0673368 -0.0016216 -0.2637567 0.1818768 1.0125105 0.3907900 -0.6580593 0.4152739 -0.1577764 14 Pd 1.0673368 0.0016216 -0.2637567 -0.1818768 1.0125105 -0.3907900 -0.6580593 -0.4152739 -0.1577764 15 Pb 3.9688429 0.2205840 -0.0911074 0.0278989 3.3322443 0.0221078 -0.0856961 0.5289322 3.8494224 16 Pb 3.9688429 -0.2205840 -0.0911074 -0.0278989 3.3322443 -0.0221078 -0.0856961 -0.5289322 3.8494224 17 Pb 3.9688429 0.2205840 -0.0911074 0.0278989 3.3322443 0.0221078 -0.0856961 0.5289322 3.8494224 18 Pb 3.9688429 -0.2205840 -0.0911074 -0.0278989 3.3322443 -0.0221078 -0.0856961 -0.5289322 3.8494224 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 313, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.387 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 9.115 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 14.495 0.000 9.576) 17.372 0.321 ( 16.664 0.000 2.394) 16.835 0.534 ( 28.110 0.000 -9.938) 29.815 1.010 ( -2.400 0.000 1.273) 2.716 1.027 ( -2.227 0.000 0.619) 2.311 1.192 ( -1.501 0.000 -3.544) 3.849 1.288 ( -0.603 0.000 -2.305) 2.382 1.380 ( -2.827 0.000 -2.862) 4.023 1.385 ( -2.484 0.000 4.006) 4.714 1.509 ( 2.457 0.000 12.893) 13.125 1.610 ( -3.448 0.000 -0.192) 3.453 1.757 ( 0.275 0.000 -1.245) 1.275 1.828 ( -1.508 0.000 2.998) 3.356 1.990 ( -4.123 0.000 0.374) 4.140 2.059 ( 6.031 0.000 -2.336) 6.468 2.151 ( -2.535 0.000 -1.711) 3.059 2.294 ( -3.719 0.000 4.382) 5.747 2.389 ( 1.128 0.000 1.515) 1.888 2.444 ( -3.916 0.000 1.898) 4.351 2.665 ( 0.430 0.000 -1.774) 1.825 2.696 ( 0.633 0.000 -0.723) 0.961 2.772 ( 0.515 0.000 8.201) 8.217 2.958 ( -3.484 0.000 -6.140) 7.060 3.160 ( -7.657 0.000 1.187) 7.748 3.267 ( 3.566 0.000 -1.751) 3.973 3.279 ( 0.725 0.000 0.426) 0.841 3.443 ( -1.746 0.000 1.158) 2.096 3.514 ( 1.025 0.000 -1.762) 2.039 3.561 ( -0.301 0.000 0.527) 0.607 3.814 ( 1.722 0.000 -0.062) 1.723 3.994 ( -0.191 0.000 6.199) 6.201 4.187 ( 3.701 0.000 1.713) 4.079 4.372 ( -5.027 0.000 -2.100) 5.449 4.466 ( -0.967 0.000 -13.949) 13.983 4.638 ( 1.033 0.000 -1.070) 1.488 4.817 ( 0.007 0.000 0.727) 0.727 5.129 ( 2.109 0.000 4.649) 5.105 5.291 ( 10.895 0.000 -0.822) 10.926 5.455 ( 1.182 0.000 -3.810) 3.989 5.590 ( -3.386 0.000 -0.528) 3.427 5.698 ( -1.579 0.000 3.676) 4.000 5.746 ( -1.151 0.000 -3.850) 4.018 5.938 ( 2.456 0.000 0.482) 2.503 6.093 ( -1.027 0.000 -1.027) 1.453 6.768 ( -2.864 0.000 -0.305) 2.880 7.079 ( -0.409 0.000 6.762) 6.775 8.093 ( -0.033 0.000 0.096) 0.102 8.212 ( -0.244 0.000 0.110) 0.267 8.708 ( 0.004 0.000 0.003) 0.005 9.115 ( -0.062 0.000 -0.032) 0.070 9.806 ( 0.350 0.000 -0.065) 0.356 9.900 ( 0.065 0.000 0.059) 0.088 9.928 ( -0.016 0.000 2.714) 2.714 10.136 ( 0.124 0.000 -5.784) 5.786 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 13.390 0.000 6.034) 14.687 0.616 ( 14.196 0.000 2.358) 14.391 0.916 ( -3.554 0.000 -1.856) 4.010 0.971 ( -3.659 0.000 -0.061) 3.659 1.056 ( 23.117 0.000 -4.656) 23.581 1.145 ( -3.205 0.000 -4.791) 5.764 1.277 ( -4.989 0.000 -0.175) 4.992 1.280 ( -0.007 0.000 -2.200) 2.200 1.404 ( 1.947 0.000 2.629) 3.271 1.543 ( -3.227 0.000 0.091) 3.228 1.574 ( 3.826 0.000 6.964) 7.946 1.734 ( -4.452 0.000 -0.377) 4.468 1.769 ( -3.869 0.000 1.301) 4.082 1.879 ( -6.832 0.000 0.350) 6.841 2.055 ( -8.157 0.000 -1.255) 8.253 2.190 ( 6.587 0.000 -0.531) 6.609 2.212 ( -2.288 0.000 3.283) 4.002 2.402 ( -0.917 0.000 -2.879) 3.022 2.428 ( 2.585 0.000 0.503) 2.634 2.673 ( 0.359 0.000 -1.686) 1.724 2.699 ( -0.114 0.000 -1.687) 1.690 2.788 ( 0.755 0.000 12.815) 12.837 2.893 ( -2.740 0.000 -10.206) 10.567 2.999 ( -8.445 0.000 2.722) 8.873 3.301 ( 1.715 0.000 0.197) 1.727 3.325 ( 2.295 0.000 -0.965) 2.490 3.394 ( -2.945 0.000 0.953) 3.095 3.538 ( 1.144 0.000 -1.848) 2.173 3.555 ( -0.233 0.000 0.005) 0.233 3.855 ( 2.351 0.000 -0.671) 2.445 3.987 ( -0.729 0.000 2.514) 2.618 4.230 ( -0.021 0.000 1.668) 1.668 4.321 ( 0.115 0.000 -1.211) 1.216 4.440 ( -1.246 0.000 -4.266) 4.444 4.646 ( 0.140 0.000 -1.235) 1.243 4.816 ( -0.078 0.000 0.845) 0.848 5.202 ( 5.086 0.000 3.622) 6.244 5.487 ( 2.204 0.000 -2.174) 3.096 5.495 ( -0.281 0.000 -5.473) 5.481 5.514 ( 5.441 0.000 5.337) 7.621 5.647 ( -2.973 0.000 0.617) 3.036 5.742 ( 0.135 0.000 0.259) 0.292 5.979 ( 1.628 0.000 0.021) 1.628 6.061 ( -2.313 0.000 -1.747) 2.899 6.704 ( -3.311 0.000 -0.262) 3.321 7.073 ( -0.368 0.000 1.888) 1.924 8.093 ( -0.031 0.000 0.098) 0.102 8.207 ( -0.238 0.000 0.112) 0.263 8.708 ( 0.001 0.000 0.002) 0.002 9.113 ( -0.062 0.000 -0.033) 0.071 9.813 ( 0.341 0.000 -0.065) 0.348 9.902 ( 0.069 0.000 0.059) 0.091 9.928 ( 0.016 0.000 0.826) 0.826 10.136 ( 0.054 0.000 -1.872) 1.873 ======================= Grid point 3 (4/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.000 0.000 -0.000) 0.000 0.790 ( 0.000 0.000 0.000) 0.000 0.802 ( 0.000 0.000 0.000) 0.000 0.899 ( 0.000 0.000 -0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 -0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 -0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 -0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 -0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 -0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 -0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 -0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 -0.000) 0.000 3.334 ( -0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 -0.000) 0.000 3.976 ( 0.000 0.000 -0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 -0.000) 0.000 4.426 ( 0.000 0.000 -0.000) 0.000 4.647 ( 0.000 0.000 -0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 -0.000) 0.000 5.516 ( 0.000 0.000 -0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 -0.000) 0.000 5.743 ( 0.000 0.000 -0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 -0.000) 0.000 8.093 ( 0.000 0.000 -0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 -0.000) 0.000 9.817 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 -0.000) 0.000 9.929 ( 0.000 0.000 -0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 15.208 0.000) 15.208 0.374 ( 0.000 17.341 0.000) 17.341 0.464 ( 0.000 21.654 0.000) 21.654 1.063 ( 0.000 0.659 0.000) 0.659 1.068 ( 0.000 3.358 0.000) 3.358 1.226 ( 0.000 -2.163 0.000) 2.163 1.274 ( 0.000 -2.673 0.000) 2.673 1.308 ( 0.000 -3.190 0.000) 3.190 1.433 ( 0.000 2.681 0.000) 2.681 1.539 ( 0.000 5.475 0.000) 5.475 1.690 ( 0.000 2.426 0.000) 2.426 1.784 ( 0.000 1.206 0.000) 1.206 1.815 ( 0.000 -0.304 0.000) 0.304 1.863 ( 0.000 0.899 0.000) 0.899 2.039 ( 0.000 0.832 0.000) 0.832 2.187 ( 0.000 0.411 0.000) 0.411 2.245 ( 0.000 0.994 0.000) 0.994 2.341 ( 0.000 1.676 0.000) 1.676 2.562 ( 0.000 -5.894 0.000) 5.894 2.651 ( 0.000 -1.136 0.000) 1.136 2.664 ( 0.000 -2.751 0.000) 2.751 2.763 ( 0.000 -1.178 0.000) 1.178 2.957 ( 0.000 -3.956 0.000) 3.956 3.201 ( 0.000 -2.101 0.000) 2.101 3.220 ( 0.000 -4.235 0.000) 4.235 3.323 ( 0.000 -8.090 0.000) 8.090 3.382 ( 0.000 1.729 0.000) 1.729 3.462 ( 0.000 -2.468 0.000) 2.468 3.617 ( 0.000 2.128 0.000) 2.128 3.731 ( 0.000 -5.390 0.000) 5.390 4.029 ( 0.000 5.265 0.000) 5.265 4.170 ( 0.000 1.905 0.000) 1.905 4.382 ( 0.000 2.554 0.000) 2.554 4.584 ( 0.000 -2.985 0.000) 2.985 4.798 ( 0.000 -1.168 0.000) 1.168 4.914 ( 0.000 1.886 0.000) 1.886 5.168 ( 0.000 2.474 0.000) 2.474 5.187 ( 0.000 3.062 0.000) 3.062 5.318 ( 0.000 -7.218 0.000) 7.218 5.581 ( 0.000 -6.070 0.000) 6.070 5.697 ( 0.000 -0.379 0.000) 0.379 5.793 ( 0.000 2.504 0.000) 2.504 5.879 ( 0.000 -2.541 0.000) 2.541 6.260 ( 0.000 9.547 0.000) 9.547 6.381 ( 0.000 3.140 0.000) 3.140 6.762 ( 0.000 -3.303 0.000) 3.303 8.114 ( 0.000 1.837 0.000) 1.837 8.217 ( 0.000 0.211 0.000) 0.211 8.717 ( 0.000 0.937 0.000) 0.937 9.095 ( 0.000 -1.943 0.000) 1.943 9.854 ( 0.000 0.303 0.000) 0.303 9.870 ( 0.000 0.313 0.000) 0.313 10.013 ( 0.000 0.058 0.000) 0.058 10.073 ( 0.000 -0.221 0.000) 0.221 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 7.689 9.444 -5.419) 13.330 0.453 ( 10.053 11.162 0.559) 15.032 0.742 ( 19.542 14.638 -0.341) 24.419 1.025 ( -2.739 1.767 -1.665) 3.660 1.058 ( -2.315 2.169 3.156) 4.475 1.196 ( -2.250 -0.879 -1.214) 2.703 1.241 ( -1.431 -3.516 -2.400) 4.491 1.330 ( -2.443 -3.565 1.991) 4.758 1.443 ( 0.663 4.410 3.045) 5.399 1.564 ( 2.567 4.292 4.235) 6.553 1.648 ( -3.811 3.063 -0.649) 4.932 1.803 ( -0.836 1.857 -0.769) 2.177 1.830 ( 1.493 2.394 0.804) 2.934 1.891 ( 3.900 -8.108 -1.680) 9.152 2.015 ( -2.480 1.204 4.297) 5.105 2.150 ( -2.578 -0.419 -0.368) 2.637 2.266 ( 0.699 0.150 -1.609) 1.761 2.347 ( 0.735 1.414 -0.945) 1.853 2.503 ( -4.643 -1.655 -2.200) 5.398 2.639 ( -1.506 -3.490 -1.032) 3.939 2.660 ( -0.244 -2.218 -1.758) 2.841 2.778 ( 2.042 -0.624 1.263) 2.481 2.930 ( -2.199 -1.805 2.847) 4.025 3.118 ( -5.797 -3.180 2.594) 7.102 3.208 ( -2.208 -3.430 -0.003) 4.080 3.342 ( 2.236 -5.090 -0.815) 5.619 3.389 ( 0.314 0.109 -0.130) 0.357 3.443 ( -1.591 -2.390 0.794) 2.979 3.617 ( 0.061 2.159 -0.633) 2.251 3.757 ( 2.331 -5.009 0.112) 5.526 4.025 ( -0.345 3.942 1.909) 4.393 4.219 ( 4.272 1.996 0.809) 4.784 4.382 ( -0.708 1.991 1.688) 2.704 4.619 ( 0.596 -1.359 -1.071) 1.830 4.675 ( -9.625 7.946 -6.202) 13.937 4.834 ( -1.402 2.650 -0.760) 3.093 5.135 ( 2.890 -0.109 4.429) 5.290 5.236 ( 5.724 -0.794 -0.926) 5.853 5.457 ( 3.919 -3.498 -2.022) 5.629 5.562 ( -1.361 -7.095 -3.140) 7.878 5.667 ( -1.293 0.498 1.331) 1.921 5.720 ( -3.935 2.775 -0.354) 4.829 5.914 ( 2.603 -2.178 -0.284) 3.406 6.234 ( -1.169 9.976 -0.072) 10.045 6.709 ( 9.147 -12.061 1.060) 15.174 6.753 ( 5.177 -7.167 1.672) 8.998 8.110 ( -0.288 1.684 0.055) 1.709 8.217 ( -0.048 0.348 -0.145) 0.380 8.716 ( -0.025 0.947 0.083) 0.951 9.095 ( -0.028 -1.910 0.128) 1.915 9.834 ( -0.680 1.186 -0.079) 1.369 9.895 ( 1.253 -0.076 0.171) 1.267 9.970 ( -2.220 2.292 1.794) 3.661 10.103 ( 1.302 -1.930 -2.986) 3.787 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 13.459 2.217 0.582) 13.653 0.662 ( 11.173 5.381 2.523) 12.655 0.938 ( -4.503 2.570 -1.745) 5.471 0.988 ( -3.678 0.679 -1.143) 3.911 1.128 ( 14.713 5.505 -1.681) 15.799 1.136 ( -3.998 -0.936 -2.368) 4.740 1.220 ( -0.784 -4.017 -0.008) 4.093 1.265 ( -0.477 -0.906 -0.468) 1.126 1.472 ( 1.847 4.335 0.530) 4.741 1.546 ( -3.374 1.350 2.841) 4.613 1.656 ( 3.976 6.516 1.582) 7.795 1.769 ( -3.373 1.955 -0.201) 3.904 1.783 ( -5.199 2.372 1.569) 5.926 1.911 ( -4.725 2.884 1.596) 5.761 1.978 ( -1.164 -5.351 -0.481) 5.497 2.142 ( 2.919 -2.226 1.957) 4.160 2.258 ( -0.740 1.779 -0.626) 2.026 2.377 ( 2.065 -0.500 -1.079) 2.383 2.448 ( -1.122 0.474 -2.276) 2.581 2.594 ( -2.148 -6.498 -2.609) 7.324 2.644 ( -1.408 -1.825 -1.837) 2.947 2.831 ( 2.745 0.955 5.590) 6.300 2.900 ( -0.962 0.714 -1.237) 1.722 2.991 ( -7.107 -1.397 1.641) 7.426 3.180 ( -0.556 -7.167 0.587) 7.212 3.368 ( -1.515 -3.191 0.931) 3.653 3.391 ( 1.466 -3.569 -1.164) 4.030 3.431 ( 0.414 0.264 -0.231) 0.543 3.620 ( 0.184 2.309 -0.995) 2.521 3.802 ( 2.086 -4.939 0.025) 5.361 4.018 ( -0.485 3.571 0.918) 3.719 4.298 ( 3.425 1.974 1.270) 4.152 4.364 ( -0.841 4.806 3.393) 5.943 4.504 ( -5.259 5.718 -5.499) 9.518 4.657 ( 0.600 0.460 -2.041) 2.176 4.820 ( -0.484 0.676 0.498) 0.969 5.211 ( 4.594 0.528 3.499) 5.799 5.371 ( 6.679 -6.710 3.322) 10.033 5.446 ( -3.036 -3.171 -2.414) 5.011 5.562 ( 0.731 -8.418 -7.187) 11.093 5.643 ( -2.087 5.712 0.872) 6.144 5.679 ( 0.108 -0.048 2.921) 2.923 5.958 ( 1.841 -1.828 -0.262) 2.608 6.208 ( -1.439 10.052 -0.721) 10.180 6.678 ( -2.782 -2.744 -0.130) 3.910 6.907 ( 4.244 -12.405 1.242) 13.170 8.106 ( -0.128 1.354 0.057) 1.361 8.215 ( -0.158 0.617 -0.020) 0.637 8.716 ( 0.000 0.934 0.059) 0.936 9.094 ( -0.047 -1.855 0.074) 1.857 9.830 ( 0.063 1.051 -0.044) 1.054 9.913 ( 0.781 0.439 -0.081) 0.899 9.942 ( -1.046 1.688 0.824) 2.150 10.115 ( 0.337 -1.701 -1.366) 2.207 ======================= Grid point 10 (8/100) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 2.160 -0.000) 2.160 0.802 ( -0.000 0.794 0.000) 0.794 0.843 ( 0.000 4.242 0.000) 4.242 0.912 ( -0.000 0.876 -0.000) 0.876 1.083 ( 0.000 -1.518 -0.000) 1.518 1.167 ( -0.000 -3.361 0.000) 3.361 1.226 ( -0.000 -3.806 -0.000) 3.806 1.409 ( -0.000 -2.475 -0.000) 2.475 1.498 ( -0.000 5.220 -0.000) 5.220 1.540 ( -0.000 1.653 -0.000) 1.653 1.622 ( 0.000 6.549 0.000) 6.549 1.718 ( 0.000 6.514 0.000) 6.514 1.747 ( 0.000 3.270 0.000) 3.270 1.834 ( -0.000 3.870 -0.000) 3.870 1.959 ( 0.000 -0.448 0.000) 0.448 2.192 ( 0.000 -1.680 -0.000) 1.680 2.251 ( 0.000 -0.829 -0.000) 0.829 2.401 ( 0.000 0.607 0.000) 0.607 2.433 ( -0.000 -3.817 -0.000) 3.817 2.590 ( 0.000 -2.985 -0.000) 2.985 2.615 ( -0.000 -3.828 -0.000) 3.828 2.867 ( -0.000 3.893 -0.000) 3.893 2.897 ( 0.000 -0.527 -0.000) 0.527 2.898 ( -0.000 -0.254 0.000) 0.254 3.178 ( -0.000 -9.117 -0.000) 9.117 3.347 ( 0.000 -0.794 0.000) 0.794 3.405 ( 0.000 -8.646 -0.000) 8.646 3.439 ( -0.000 3.496 0.000) 3.496 3.621 ( -0.000 2.412 0.000) 2.412 3.824 ( 0.000 -5.247 0.000) 5.247 4.012 ( 0.000 3.764 -0.000) 3.764 4.331 ( -0.000 0.272 0.000) 0.272 4.359 ( -0.000 10.042 -0.000) 10.042 4.452 ( 0.000 2.126 0.000) 2.126 4.662 ( 0.000 0.683 -0.000) 0.683 4.815 ( 0.000 0.112 -0.000) 0.112 5.280 ( 0.000 0.382 0.000) 0.382 5.370 ( -0.000 -3.256 -0.000) 3.256 5.477 ( 0.000 -8.299 0.000) 8.299 5.542 ( -0.000 -9.667 -0.000) 9.667 5.633 ( 0.000 5.217 0.000) 5.217 5.684 ( -0.000 1.458 -0.000) 1.458 5.976 ( 0.000 -1.656 0.000) 1.656 6.191 ( 0.000 10.416 0.000) 10.416 6.648 ( 0.000 -2.173 0.000) 2.173 6.942 ( 0.000 -10.510 0.000) 10.510 8.105 ( -0.000 1.238 0.000) 1.238 8.213 ( -0.000 0.713 -0.000) 0.713 8.716 ( 0.000 0.932 -0.000) 0.932 9.094 ( 0.000 -1.836 0.000) 1.836 9.831 ( 0.000 0.964 -0.000) 0.964 9.926 ( -0.000 2.196 0.000) 2.196 9.927 ( 0.000 -0.218 -0.000) 0.218 10.118 ( 0.000 -1.586 0.000) 1.586 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 12.484 0.000) 12.484 0.665 ( 0.000 10.259 0.000) 10.259 0.831 ( 0.000 13.144 0.000) 13.144 1.060 ( 0.000 -0.101 0.000) 0.101 1.114 ( 0.000 -3.393 0.000) 3.393 1.175 ( 0.000 -2.380 0.000) 2.380 1.229 ( 0.000 3.234 0.000) 3.234 1.287 ( 0.000 0.723 0.000) 0.723 1.521 ( 0.000 5.753 0.000) 5.753 1.617 ( 0.000 2.171 0.000) 2.171 1.749 ( 0.000 2.692 0.000) 2.692 1.759 ( 0.000 -2.042 0.000) 2.042 1.860 ( 0.000 5.520 0.000) 5.520 1.949 ( 0.000 5.147 0.000) 5.147 2.047 ( 0.000 0.090 0.000) 0.090 2.195 ( 0.000 0.360 0.000) 0.360 2.224 ( 0.000 -4.164 0.000) 4.164 2.372 ( 0.000 1.644 0.000) 1.644 2.480 ( 0.000 -0.457 0.000) 0.457 2.592 ( 0.000 -4.228 0.000) 4.228 2.604 ( 0.000 -3.584 0.000) 3.584 2.713 ( 0.000 -3.513 0.000) 3.513 2.852 ( 0.000 -6.039 0.000) 6.039 3.079 ( 0.000 -7.967 0.000) 7.967 3.144 ( 0.000 -3.242 0.000) 3.242 3.208 ( 0.000 -4.564 0.000) 4.564 3.398 ( 0.000 -3.561 0.000) 3.561 3.400 ( 0.000 -0.652 0.000) 0.652 3.630 ( 0.000 -3.357 0.000) 3.357 3.630 ( 0.000 -0.502 0.000) 0.502 4.140 ( 0.000 5.060 0.000) 5.060 4.202 ( 0.000 1.329 0.000) 1.329 4.468 ( 0.000 5.606 0.000) 5.606 4.521 ( 0.000 -2.062 0.000) 2.062 4.777 ( 0.000 -1.638 0.000) 1.638 4.976 ( 0.000 4.057 0.000) 4.057 5.100 ( 0.000 -9.165 0.000) 9.165 5.249 ( 0.000 1.461 0.000) 1.461 5.262 ( 0.000 4.051 0.000) 4.051 5.464 ( 0.000 -5.545 0.000) 5.545 5.688 ( 0.000 -0.749 0.000) 0.749 5.810 ( 0.000 -4.155 0.000) 4.155 5.883 ( 0.000 6.430 0.000) 6.430 6.445 ( 0.000 8.051 0.000) 8.051 6.448 ( 0.000 2.613 0.000) 2.613 6.672 ( 0.000 -5.093 0.000) 5.093 8.157 ( 0.000 2.174 0.000) 2.174 8.221 ( 0.000 0.144 0.000) 0.144 8.749 ( 0.000 2.304 0.000) 2.304 9.041 ( 0.000 -3.244 0.000) 3.244 9.862 ( 0.000 0.432 0.000) 0.432 9.877 ( 0.000 0.227 0.000) 0.227 10.016 ( 0.000 0.276 0.000) 0.276 10.066 ( 0.000 -0.427 0.000) 0.427 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -0.457 11.210 -5.517) 12.502 0.680 ( 4.760 9.932 -1.386) 11.101 0.971 ( 6.680 3.261 1.061) 7.509 1.052 ( 0.590 3.194 -2.435) 4.060 1.115 ( 1.238 0.302 3.379) 3.611 1.163 ( -1.547 -1.961 -0.387) 2.527 1.197 ( -2.196 3.358 -0.371) 4.029 1.280 ( -2.018 -0.787 3.212) 3.873 1.546 ( -0.707 4.362 2.145) 4.912 1.601 ( 1.303 0.501 -0.574) 1.509 1.709 ( -0.911 2.196 -1.564) 2.846 1.798 ( 1.478 -1.139 -0.256) 1.883 1.848 ( -0.963 4.898 -1.177) 5.128 1.950 ( 0.108 6.437 1.292) 6.567 2.055 ( 0.453 1.799 4.386) 4.762 2.130 ( -4.381 -1.207 2.643) 5.257 2.260 ( 1.368 -2.010 -4.440) 5.062 2.379 ( 0.570 1.620 -0.430) 1.770 2.472 ( -0.815 0.147 -3.762) 3.852 2.546 ( -3.389 -4.454 -0.116) 5.598 2.608 ( 0.148 -3.169 -1.092) 3.355 2.735 ( 2.076 -3.561 -1.517) 4.392 2.863 ( 0.934 -5.004 3.114) 5.968 3.047 ( -3.302 -5.011 2.447) 6.481 3.109 ( -3.482 -5.045 -0.062) 6.130 3.207 ( 0.094 -5.117 0.891) 5.194 3.390 ( -0.754 -2.265 0.459) 2.431 3.424 ( 2.205 0.066 -0.745) 2.328 3.633 ( 0.368 -0.157 -0.342) 0.526 3.651 ( 1.913 -4.331 0.711) 4.788 4.117 ( -1.292 4.384 0.872) 4.653 4.252 ( 3.953 1.299 -0.802) 4.237 4.453 ( -1.219 4.776 2.708) 5.625 4.554 ( 2.488 -3.767 -1.755) 4.844 4.731 ( -4.691 -0.673 -1.048) 4.853 4.893 ( -4.275 1.640 -1.002) 4.687 5.149 ( 2.837 1.113 2.755) 4.109 5.262 ( 1.342 1.601 -0.052) 2.090 5.333 ( 5.171 -4.817 -1.992) 7.342 5.440 ( -2.361 -4.518 -0.697) 5.145 5.669 ( -1.022 -0.562 -1.410) 1.830 5.817 ( -0.486 1.540 1.778) 2.402 5.877 ( 0.959 2.608 -1.456) 3.137 6.420 ( -1.293 7.741 0.767) 7.886 6.544 ( 5.772 -4.214 -0.765) 7.187 6.667 ( 0.220 -3.907 0.504) 3.945 8.151 ( -0.507 2.164 0.126) 2.226 8.223 ( 0.175 0.186 -0.224) 0.340 8.749 ( 0.014 2.339 0.131) 2.342 9.042 ( 0.030 -3.225 0.184) 3.231 9.851 ( -0.506 0.665 -0.039) 0.836 9.893 ( 1.101 -0.179 0.039) 1.116 10.003 ( -1.129 1.096 0.602) 1.684 10.074 ( 0.587 -1.005 -0.904) 1.474 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 8.382 6.239 -4.159) 11.246 0.799 ( 6.838 6.924 2.077) 9.951 0.966 ( -3.200 -2.179 -1.719) 4.236 1.026 ( -3.861 5.536 -1.949) 7.025 1.110 ( -3.810 -1.280 0.186) 4.024 1.134 ( -0.889 -3.006 -1.194) 3.355 1.211 ( -4.107 0.704 1.613) 4.468 1.289 ( 8.114 2.916 2.136) 8.883 1.491 ( -1.181 -0.446 0.631) 1.412 1.644 ( 1.072 6.557 -0.250) 6.649 1.744 ( 2.479 0.551 -0.573) 2.603 1.806 ( -0.815 -0.976 1.048) 1.648 1.835 ( 0.893 5.660 0.600) 5.761 1.960 ( 0.976 5.905 -0.497) 6.006 2.021 ( -4.673 6.068 4.354) 8.810 2.085 ( 0.255 -3.685 1.620) 4.033 2.259 ( -1.475 -1.845 -3.079) 3.880 2.386 ( 0.245 0.988 -1.200) 1.574 2.435 ( -2.190 -1.144 -1.957) 3.152 2.528 ( 1.531 0.467 -0.066) 1.602 2.609 ( 0.092 -1.871 -2.285) 2.955 2.783 ( 2.986 -4.704 -0.861) 5.638 2.880 ( 0.348 -3.861 2.024) 4.373 2.952 ( -6.248 -4.091 2.095) 7.756 3.053 ( -1.990 -3.331 1.162) 4.051 3.209 ( -0.022 -7.489 0.147) 7.491 3.372 ( -0.978 -0.251 0.698) 1.228 3.469 ( 2.137 1.119 -0.668) 2.503 3.643 ( 0.627 0.272 -0.723) 0.994 3.688 ( 1.644 -5.186 0.607) 5.474 4.101 ( -0.529 3.923 0.479) 3.987 4.321 ( 2.810 0.699 -0.914) 3.037 4.446 ( 0.889 3.001 3.915) 5.012 4.563 ( -2.472 -1.777 -1.366) 3.337 4.655 ( -1.574 -0.091 -2.569) 3.014 4.841 ( -1.818 0.649 -0.178) 1.939 5.211 ( 3.787 0.176 4.151) 5.621 5.297 ( 2.305 -0.584 2.287) 3.299 5.366 ( -2.843 -5.911 -5.050) 8.279 5.401 ( -0.608 -3.518 -1.678) 3.945 5.674 ( 1.442 -0.283 -0.598) 1.587 5.799 ( -0.858 7.307 1.160) 7.448 5.912 ( 1.945 -1.712 -0.764) 2.701 6.393 ( -1.426 7.781 -0.245) 7.914 6.580 ( -0.793 -6.951 -0.033) 6.997 6.713 ( 3.268 -5.858 0.324) 6.716 8.143 ( -0.372 2.053 0.098) 2.089 8.226 ( 0.074 0.334 -0.141) 0.370 8.750 ( 0.016 2.387 0.121) 2.390 9.042 ( 0.003 -3.175 0.166) 3.180 9.846 ( -0.045 0.650 -0.016) 0.652 9.910 ( 0.662 -0.587 -0.014) 0.885 9.983 ( -0.824 1.937 0.341) 2.132 10.082 ( 0.294 -1.400 -0.588) 1.547 ======================= Grid point 17 (12/100) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 2.278 -0.000) 2.278 0.832 ( -0.000 2.332 0.000) 2.332 0.937 ( 0.000 2.615 0.000) 2.615 0.954 ( -0.000 6.362 -0.000) 6.362 1.057 ( 0.000 -0.732 -0.000) 0.732 1.142 ( -0.000 -4.107 0.000) 4.107 1.148 ( 0.000 1.306 -0.000) 1.306 1.338 ( -0.000 -4.342 -0.000) 4.342 1.565 ( -0.000 1.037 -0.000) 1.037 1.612 ( 0.000 5.736 0.000) 5.736 1.759 ( -0.000 0.199 0.000) 0.199 1.779 ( -0.000 6.914 -0.000) 6.914 1.909 ( 0.000 8.316 0.000) 8.316 1.918 ( -0.000 2.418 0.000) 2.418 1.981 ( -0.000 5.511 0.000) 5.511 2.099 ( 0.000 -6.553 -0.000) 6.553 2.229 ( -0.000 -1.391 -0.000) 1.391 2.390 ( -0.000 0.967 -0.000) 0.967 2.414 ( 0.000 0.805 -0.000) 0.805 2.553 ( -0.000 -2.106 -0.000) 2.106 2.613 ( -0.000 3.091 0.000) 3.091 2.836 ( 0.000 -5.315 0.000) 5.315 2.851 ( -0.000 -3.821 -0.000) 3.821 2.888 ( 0.000 -5.131 0.000) 5.131 3.035 ( 0.000 -2.246 -0.000) 2.246 3.208 ( 0.000 -8.322 0.000) 8.322 3.362 ( 0.000 0.667 -0.000) 0.667 3.490 ( 0.000 1.500 0.000) 1.500 3.650 ( -0.000 0.655 0.000) 0.655 3.705 ( 0.000 -5.554 0.000) 5.554 4.096 ( 0.000 3.805 -0.000) 3.805 4.346 ( -0.000 0.832 0.000) 0.832 4.481 ( -0.000 -0.141 -0.000) 0.141 4.507 ( 0.000 3.090 0.000) 3.090 4.649 ( 0.000 -1.519 -0.000) 1.519 4.822 ( 0.000 0.171 -0.000) 0.171 5.290 ( 0.000 -3.965 0.000) 3.965 5.290 ( -0.000 -0.485 -0.000) 0.485 5.333 ( 0.000 -3.742 0.000) 3.742 5.383 ( -0.000 -3.955 -0.000) 3.955 5.695 ( -0.000 -0.005 -0.000) 0.005 5.791 ( 0.000 7.998 -0.000) 7.998 5.932 ( 0.000 -2.054 0.000) 2.054 6.377 ( 0.000 7.733 -0.000) 7.733 6.568 ( 0.000 -6.038 0.000) 6.038 6.745 ( 0.000 -7.426 0.000) 7.426 8.139 ( -0.000 1.975 0.000) 1.975 8.226 ( -0.000 0.423 -0.000) 0.423 8.750 ( 0.000 2.405 -0.000) 2.405 9.042 ( 0.000 -3.150 0.000) 3.150 9.847 ( 0.000 0.598 -0.000) 0.598 9.917 ( 0.000 -0.830 0.000) 0.830 9.975 ( 0.000 2.291 0.000) 2.291 10.085 ( 0.000 -1.483 0.000) 1.483 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 0.000 0.454 0.000) 0.454 0.813 ( 0.000 8.349 0.000) 8.349 0.927 ( 0.000 -6.149 0.000) 6.149 0.995 ( 0.000 -2.003 0.000) 2.003 1.092 ( 0.000 2.356 0.000) 2.356 1.136 ( 0.000 -1.228 0.000) 1.228 1.344 ( 0.000 5.415 0.000) 5.415 1.391 ( 0.000 8.653 0.000) 8.653 1.632 ( 0.000 3.661 0.000) 3.661 1.643 ( 0.000 0.577 0.000) 0.577 1.727 ( 0.000 -0.712 0.000) 0.712 1.774 ( 0.000 -0.405 0.000) 0.405 1.991 ( 0.000 -1.098 0.000) 1.098 2.008 ( 0.000 7.639 0.000) 7.639 2.048 ( 0.000 -0.409 0.000) 0.409 2.151 ( 0.000 -1.043 0.000) 1.043 2.210 ( 0.000 2.042 0.000) 2.042 2.399 ( 0.000 -0.981 0.000) 0.981 2.491 ( 0.000 -0.146 0.000) 0.146 2.521 ( 0.000 -3.902 0.000) 3.902 2.535 ( 0.000 -0.271 0.000) 0.271 2.660 ( 0.000 0.720 0.000) 0.720 2.722 ( 0.000 -6.694 0.000) 6.694 2.926 ( 0.000 -7.588 0.000) 7.588 3.086 ( 0.000 -2.153 0.000) 2.153 3.118 ( 0.000 -3.907 0.000) 3.907 3.338 ( 0.000 -2.012 0.000) 2.012 3.357 ( 0.000 -2.644 0.000) 2.644 3.600 ( 0.000 -0.127 0.000) 0.127 3.617 ( 0.000 -0.732 0.000) 0.732 4.220 ( 0.000 2.799 0.000) 2.799 4.231 ( 0.000 1.460 0.000) 1.460 4.496 ( 0.000 1.124 0.000) 1.124 4.628 ( 0.000 8.626 0.000) 8.626 4.696 ( 0.000 -6.392 0.000) 6.392 4.941 ( 0.000 -6.495 0.000) 6.495 5.067 ( 0.000 4.757 0.000) 4.757 5.249 ( 0.000 -2.590 0.000) 2.590 5.337 ( 0.000 3.023 0.000) 3.023 5.382 ( 0.000 -1.642 0.000) 1.642 5.670 ( 0.000 -0.786 0.000) 0.786 5.725 ( 0.000 -3.861 0.000) 3.861 6.045 ( 0.000 9.359 0.000) 9.359 6.420 ( 0.000 -6.365 0.000) 6.365 6.570 ( 0.000 4.227 0.000) 4.227 6.612 ( 0.000 -0.028 0.000) 0.028 8.194 ( 0.000 1.385 0.000) 1.385 8.221 ( 0.000 -0.161 0.000) 0.161 8.809 ( 0.000 3.569 0.000) 3.569 8.968 ( 0.000 -3.895 0.000) 3.895 9.870 ( 0.000 0.358 0.000) 0.358 9.878 ( 0.000 -0.031 0.000) 0.031 10.025 ( 0.000 0.622 0.000) 0.622 10.055 ( 0.000 -0.667 0.000) 0.667 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.497 4.084 -4.190) 5.872 0.831 ( 2.693 6.038 2.370) 7.023 0.942 ( 0.015 -4.337 -2.132) 4.833 1.010 ( 1.928 -4.382 2.128) 5.239 1.135 ( -0.554 -0.198 0.144) 0.606 1.149 ( 4.594 1.221 2.396) 5.323 1.292 ( -4.601 4.814 -2.079) 6.976 1.367 ( -2.884 6.101 3.955) 7.821 1.574 ( -4.536 2.386 -0.281) 5.133 1.673 ( 3.551 2.928 0.198) 4.607 1.733 ( -0.080 0.354 -2.820) 2.843 1.778 ( 0.121 -1.449 -0.478) 1.531 1.954 ( -1.684 3.110 0.644) 3.595 2.035 ( -1.368 -1.329 -2.007) 2.768 2.061 ( 3.031 4.368 2.054) 5.699 2.162 ( 0.857 2.507 7.223) 7.693 2.212 ( 0.124 -0.447 -3.193) 3.226 2.388 ( -1.315 -2.322 -1.520) 3.071 2.485 ( -0.916 2.562 1.623) 3.168 2.511 ( 2.016 -1.475 -2.060) 3.238 2.562 ( 0.027 -0.087 0.115) 0.147 2.657 ( 0.615 -2.235 -2.571) 3.462 2.746 ( 1.880 -6.092 2.576) 6.877 2.901 ( -2.937 -8.235 -1.327) 8.843 3.052 ( -1.638 -1.010 -1.729) 2.587 3.124 ( -0.753 -3.682 1.209) 3.948 3.352 ( 1.333 -1.055 1.370) 2.183 3.392 ( 3.099 -2.505 1.654) 4.314 3.607 ( 0.788 -0.425 0.200) 0.918 3.623 ( 0.735 -0.672 -0.141) 1.006 4.194 ( -1.467 3.318 0.292) 3.640 4.269 ( 2.479 0.162 -1.291) 2.799 4.490 ( -0.504 -0.722 -2.799) 2.934 4.558 ( -4.892 1.976 0.324) 5.286 4.699 ( -0.856 0.169 0.704) 1.121 4.882 ( -3.683 -2.718 0.497) 4.604 5.160 ( 5.892 0.821 1.692) 6.185 5.249 ( 0.234 -2.182 2.212) 3.116 5.339 ( 0.219 2.517 -1.507) 2.942 5.380 ( -0.416 -0.990 -0.249) 1.103 5.660 ( -0.277 -0.062 -2.090) 2.109 5.753 ( 2.499 -4.226 0.037) 4.910 6.036 ( -0.783 9.705 0.081) 9.737 6.422 ( 0.038 -7.551 0.270) 7.556 6.553 ( -1.583 4.222 -0.397) 4.527 6.623 ( 0.892 -0.564 -0.267) 1.089 8.189 ( -0.417 1.513 0.164) 1.578 8.223 ( 0.147 -0.253 -0.131) 0.320 8.810 ( 0.053 3.577 0.133) 3.580 8.969 ( 0.056 -3.892 0.174) 3.896 9.864 ( -0.356 0.599 -0.025) 0.697 9.887 ( 0.511 -0.482 -0.030) 0.703 10.022 ( -0.318 0.898 0.128) 0.961 10.057 ( 0.142 -0.803 -0.210) 0.842 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 4.722 5.052 -3.176) 7.610 0.901 ( 2.533 2.202 3.588) 4.913 0.939 ( 2.017 0.385 -2.623) 3.331 1.058 ( 2.425 -2.816 1.664) 4.071 1.101 ( -2.942 1.163 0.627) 3.225 1.173 ( -4.281 5.307 -3.004) 7.451 1.204 ( -2.764 -0.503 0.261) 2.822 1.302 ( -3.895 -0.958 3.423) 5.273 1.540 ( 2.095 5.287 1.788) 5.961 1.727 ( 0.485 -1.437 -1.365) 2.040 1.741 ( -0.415 1.415 -0.389) 1.525 1.772 ( 1.511 -2.518 -1.298) 3.210 1.949 ( 1.623 4.450 1.102) 4.864 2.007 ( -1.091 -1.163 -2.048) 2.596 2.094 ( -1.030 4.231 0.407) 4.374 2.158 ( -0.813 6.408 6.048) 8.849 2.205 ( -0.910 -1.699 -2.358) 3.045 2.396 ( 2.663 0.288 3.480) 4.391 2.468 ( -1.357 4.170 -2.498) 5.047 2.537 ( -0.160 -2.228 -0.932) 2.420 2.583 ( 3.927 0.310 -0.997) 4.064 2.684 ( 1.773 -3.580 -0.978) 4.113 2.768 ( -0.755 -7.137 1.520) 7.336 2.823 ( -4.203 -6.026 -2.091) 7.639 3.034 ( -0.621 -0.316 0.031) 0.697 3.094 ( -1.844 -4.020 0.444) 4.444 3.377 ( 0.991 0.811 1.459) 1.941 3.454 ( 2.852 -2.339 1.559) 4.004 3.627 ( 1.124 -0.605 -0.404) 1.339 3.643 ( 1.091 -0.471 -0.046) 1.189 4.169 ( -1.125 2.979 -0.245) 3.194 4.306 ( 1.278 -2.586 -1.745) 3.371 4.469 ( -1.426 -0.831 -1.227) 2.056 4.505 ( -0.686 -2.208 0.240) 2.324 4.670 ( -1.537 2.628 0.722) 3.129 4.824 ( -2.456 -2.281 0.578) 3.402 5.230 ( 1.808 0.547 1.892) 2.673 5.260 ( 0.468 -1.866 0.553) 2.001 5.340 ( -0.195 1.406 -1.353) 1.960 5.364 ( -1.107 -0.277 0.156) 1.152 5.676 ( 1.890 0.859 -1.439) 2.526 5.801 ( 2.152 -4.102 0.036) 4.632 6.023 ( -0.433 9.835 -0.131) 9.846 6.419 ( -0.313 -8.587 0.244) 8.597 6.520 ( -1.640 4.643 -0.403) 4.941 6.638 ( 0.589 -2.479 -0.283) 2.564 8.181 ( -0.354 1.711 0.132) 1.753 8.225 ( 0.098 -0.395 -0.085) 0.415 8.811 ( 0.046 3.594 0.132) 3.596 8.970 ( 0.039 -3.876 0.172) 3.880 9.859 ( -0.106 0.676 -0.015) 0.684 9.894 ( 0.246 -0.967 -0.049) 0.999 10.016 ( -0.255 1.346 0.094) 1.374 10.059 ( 0.103 -0.978 -0.169) 0.998 ======================= Grid point 24 (16/100) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 2.026 -0.000) 2.026 0.887 ( -0.000 2.332 0.000) 2.332 1.018 ( 0.000 4.016 -0.000) 4.016 1.052 ( 0.000 1.249 -0.000) 1.249 1.073 ( -0.000 0.463 0.000) 0.463 1.105 ( -0.000 4.680 0.000) 4.680 1.172 ( 0.000 -0.325 -0.000) 0.325 1.253 ( -0.000 -3.447 -0.000) 3.447 1.598 ( -0.000 2.700 -0.000) 2.700 1.692 ( 0.000 0.981 0.000) 0.981 1.736 ( -0.000 -2.119 0.000) 2.119 1.807 ( 0.000 -3.186 -0.000) 3.186 1.997 ( -0.000 0.145 0.000) 0.145 2.007 ( 0.000 4.332 -0.000) 4.332 2.027 ( -0.000 2.914 -0.000) 2.914 2.165 ( -0.000 10.920 0.000) 10.920 2.189 ( -0.000 -2.770 -0.000) 2.770 2.442 ( 0.000 1.582 0.000) 1.582 2.445 ( -0.000 3.827 -0.000) 3.827 2.531 ( -0.000 -0.137 0.000) 0.137 2.675 ( -0.000 1.999 0.000) 1.999 2.687 ( -0.000 -10.093 -0.000) 10.093 2.711 ( 0.000 -5.825 0.000) 5.825 2.792 ( 0.000 -3.860 -0.000) 3.860 3.027 ( 0.000 -0.362 -0.000) 0.362 3.075 ( 0.000 -4.705 0.000) 4.705 3.387 ( 0.000 1.786 -0.000) 1.786 3.484 ( 0.000 -2.193 0.000) 2.193 3.639 ( 0.000 -0.717 -0.000) 0.717 3.654 ( -0.000 -0.183 0.000) 0.183 4.157 ( 0.000 2.471 -0.000) 2.471 4.316 ( -0.000 -4.624 -0.000) 4.624 4.457 ( -0.000 -0.532 -0.000) 0.532 4.500 ( 0.000 -2.216 -0.000) 2.216 4.657 ( 0.000 2.654 0.000) 2.654 4.799 ( 0.000 -2.499 -0.000) 2.499 5.246 ( -0.000 -1.311 -0.000) 1.311 5.263 ( 0.000 0.020 0.000) 0.020 5.340 ( -0.000 -0.432 -0.000) 0.432 5.346 ( 0.000 1.629 0.000) 1.629 5.700 ( -0.000 0.968 -0.000) 0.968 5.822 ( 0.000 -3.679 -0.000) 3.679 6.020 ( 0.000 9.663 -0.000) 9.663 6.415 ( 0.000 -8.696 0.000) 8.696 6.502 ( 0.000 4.858 0.000) 4.858 6.643 ( 0.000 -3.516 0.000) 3.516 8.178 ( 0.000 1.789 0.000) 1.789 8.226 ( -0.000 -0.450 -0.000) 0.450 8.811 ( 0.000 3.601 -0.000) 3.601 8.971 ( 0.000 -3.865 0.000) 3.865 9.859 ( 0.000 0.657 -0.000) 0.657 9.896 ( 0.000 -1.143 0.000) 1.143 10.013 ( 0.000 1.539 0.000) 1.539 10.060 ( 0.000 -1.038 -0.000) 1.038 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 -4.505 0.000) 4.505 0.788 ( 0.000 4.505 0.000) 4.505 0.942 ( 0.000 -4.461 0.000) 4.461 0.942 ( 0.000 4.461 0.000) 4.461 1.121 ( 0.000 -0.706 0.000) 0.706 1.121 ( 0.000 0.706 0.000) 0.706 1.460 ( 0.000 -3.284 0.000) 3.284 1.460 ( 0.000 3.284 0.000) 3.284 1.643 ( 0.000 -0.037 0.000) 0.037 1.643 ( 0.000 0.037 0.000) 0.037 1.748 ( 0.000 -1.679 0.000) 1.679 1.748 ( 0.000 1.679 0.000) 1.679 2.003 ( 0.000 -2.819 0.000) 2.819 2.003 ( 0.000 2.819 0.000) 2.819 2.127 ( 0.000 -3.125 0.000) 3.125 2.127 ( 0.000 3.125 0.000) 3.125 2.303 ( 0.000 -6.263 0.000) 6.263 2.303 ( 0.000 6.263 0.000) 6.263 2.481 ( 0.000 -0.474 0.000) 0.474 2.481 ( 0.000 0.474 0.000) 0.474 2.591 ( 0.000 -5.922 0.000) 5.922 2.591 ( 0.000 5.922 0.000) 5.922 2.767 ( 0.000 -7.753 0.000) 7.753 2.767 ( 0.000 7.753 0.000) 7.753 3.069 ( 0.000 -0.748 0.000) 0.748 3.069 ( 0.000 0.748 0.000) 0.748 3.323 ( 0.000 -0.519 0.000) 0.519 3.323 ( 0.000 0.519 0.000) 0.519 3.605 ( 0.000 -0.455 0.000) 0.455 3.605 ( 0.000 0.455 0.000) 0.455 4.249 ( 0.000 -0.024 0.000) 0.024 4.249 ( 0.000 0.024 0.000) 0.024 4.564 ( 0.000 -5.555 0.000) 5.555 4.564 ( 0.000 5.555 0.000) 5.555 4.801 ( 0.000 -7.933 0.000) 7.933 4.801 ( 0.000 7.933 0.000) 7.933 5.164 ( 0.000 -4.850 0.000) 4.850 5.164 ( 0.000 4.850 0.000) 4.850 5.373 ( 0.000 -0.529 0.000) 0.529 5.373 ( 0.000 0.529 0.000) 0.529 5.671 ( 0.000 -1.263 0.000) 1.263 5.671 ( 0.000 1.263 0.000) 1.263 6.244 ( 0.000 -9.936 0.000) 9.936 6.244 ( 0.000 9.936 0.000) 9.936 6.617 ( 0.000 -0.584 0.000) 0.584 6.617 ( 0.000 0.584 0.000) 0.584 8.214 ( 0.000 -0.627 0.000) 0.627 8.214 ( 0.000 0.627 0.000) 0.627 8.887 ( 0.000 -4.060 0.000) 4.060 8.887 ( 0.000 4.060 0.000) 4.060 9.876 ( 0.000 -0.216 0.000) 0.216 9.876 ( 0.000 0.216 0.000) 0.216 10.040 ( 0.000 -0.799 0.000) 0.799 10.040 ( 0.000 0.799 0.000) 0.799 ======================= Grid point 30 (18/100) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 2.535 -5.480 0.121) 6.039 0.817 ( 2.535 5.480 0.121) 6.039 0.938 ( 0.743 -4.017 1.476) 4.343 0.938 ( 0.743 4.017 1.476) 4.343 1.145 ( 1.489 -0.829 0.943) 1.948 1.145 ( 1.489 0.829 0.943) 1.948 1.393 ( -5.763 -3.232 -0.651) 6.640 1.393 ( -5.763 3.232 -0.651) 6.640 1.666 ( 0.910 -4.358 1.149) 4.598 1.666 ( 0.910 4.358 1.149) 4.598 1.733 ( -0.887 -1.199 -1.289) 1.971 1.733 ( -0.887 1.199 -1.289) 1.971 2.001 ( -0.022 -3.069 -2.415) 3.905 2.001 ( -0.022 3.069 -2.415) 3.905 2.140 ( 0.959 -2.945 0.704) 3.176 2.140 ( 0.959 2.945 0.704) 3.176 2.299 ( 0.253 -5.762 4.362) 7.232 2.299 ( 0.253 5.762 4.362) 7.232 2.501 ( 1.748 -2.455 -0.273) 3.026 2.501 ( 1.748 2.455 -0.273) 3.026 2.605 ( 0.854 -6.109 -0.440) 6.185 2.605 ( 0.854 6.109 -0.440) 6.185 2.743 ( -1.919 -6.844 -2.005) 7.385 2.743 ( -1.919 6.844 -2.005) 7.385 3.063 ( -0.720 -2.018 -0.985) 2.359 3.063 ( -0.720 2.018 -0.985) 2.359 3.353 ( 2.672 -1.098 2.419) 3.768 3.353 ( 2.672 1.098 2.419) 3.768 3.611 ( 0.732 -0.496 -0.067) 0.887 3.611 ( 0.732 0.496 -0.067) 0.887 4.250 ( -0.127 -2.046 -0.625) 2.143 4.250 ( -0.127 2.046 -0.625) 2.143 4.516 ( -3.709 -3.126 -3.006) 5.707 4.516 ( -3.709 3.126 -3.006) 5.707 4.790 ( -1.433 -6.026 2.015) 6.513 4.790 ( -1.433 6.026 2.015) 6.513 5.195 ( 2.572 -2.542 2.425) 4.354 5.195 ( 2.572 2.542 2.425) 4.354 5.374 ( -0.102 -0.649 -0.862) 1.084 5.374 ( -0.102 0.649 -0.862) 1.084 5.681 ( 1.353 -2.461 -1.274) 3.084 5.681 ( 1.353 2.461 -1.274) 3.084 6.238 ( -0.529 -10.019 0.263) 10.036 6.238 ( -0.529 10.019 0.263) 10.036 6.609 ( -0.773 -1.409 -0.437) 1.665 6.609 ( -0.773 1.409 -0.437) 1.665 8.212 ( -0.118 -0.805 0.052) 0.815 8.212 ( -0.118 0.805 0.052) 0.815 8.888 ( 0.059 -4.062 0.145) 4.065 8.888 ( 0.059 4.062 0.145) 4.065 9.876 ( -0.032 -0.581 -0.032) 0.583 9.876 ( -0.032 0.581 -0.032) 0.583 10.040 ( -0.020 -0.887 -0.021) 0.888 10.040 ( -0.020 0.887 -0.021) 0.888 ======================= Grid point 32 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 2.634 -3.895 -1.062) 4.821 0.866 ( 2.634 3.895 -1.062) 4.821 0.993 ( 4.474 -3.392 2.953) 6.343 0.993 ( 4.474 3.392 2.953) 6.343 1.146 ( -1.429 -2.908 0.302) 3.254 1.146 ( -1.429 2.908 0.302) 3.254 1.278 ( -6.025 -2.431 -0.422) 6.510 1.278 ( -6.025 2.431 -0.422) 6.510 1.667 ( -0.143 -6.229 0.511) 6.251 1.667 ( -0.143 6.229 0.511) 6.251 1.725 ( -0.226 -0.944 -0.670) 1.180 1.725 ( -0.226 0.944 -0.670) 1.180 2.010 ( 1.152 -1.544 -2.636) 3.265 2.010 ( 1.152 1.544 -2.636) 3.265 2.137 ( -1.411 -1.531 0.352) 2.111 2.137 ( -1.411 1.531 0.352) 2.111 2.335 ( 3.166 -7.141 6.794) 10.352 2.335 ( 3.166 7.141 6.794) 10.352 2.530 ( 0.933 -3.576 -1.095) 3.855 2.530 ( 0.933 3.576 -1.095) 3.855 2.596 ( -1.530 -7.125 -2.936) 7.857 2.596 ( -1.530 7.125 -2.936) 7.857 2.725 ( 0.180 -3.903 -0.616) 3.956 2.725 ( 0.180 3.903 -0.616) 3.956 3.040 ( -1.497 -1.360 -0.569) 2.101 3.040 ( -1.497 1.360 -0.569) 2.101 3.405 ( 2.421 -2.031 2.267) 3.889 3.405 ( 2.421 2.031 2.267) 3.889 3.632 ( 1.236 -0.603 -0.261) 1.400 3.632 ( 1.236 0.603 -0.261) 1.400 4.234 ( -1.392 -3.733 -1.494) 4.255 4.234 ( -1.392 3.733 -1.494) 4.255 4.468 ( -0.958 -1.134 -1.405) 2.044 4.468 ( -0.958 1.134 -1.405) 2.044 4.753 ( -2.062 -4.510 1.446) 5.166 4.753 ( -2.062 4.510 1.446) 5.166 5.236 ( 1.307 -0.736 1.504) 2.124 5.236 ( 1.307 0.736 1.504) 2.124 5.365 ( -0.721 -0.646 -0.374) 1.038 5.365 ( -0.721 0.646 -0.374) 1.038 5.719 ( 2.275 -3.435 -0.997) 4.239 5.719 ( 2.275 3.435 -0.997) 4.239 6.228 ( -0.436 -10.088 0.189) 10.099 6.228 ( -0.436 10.088 0.189) 10.099 6.591 ( -0.975 -2.590 -0.450) 2.804 6.591 ( -0.975 2.590 -0.450) 2.804 8.210 ( -0.115 -1.104 0.055) 1.112 8.210 ( -0.115 1.104 0.055) 1.112 8.889 ( 0.049 -4.060 0.145) 4.063 8.889 ( 0.049 4.060 0.145) 4.063 9.875 ( -0.032 -0.866 -0.035) 0.868 9.875 ( -0.032 0.866 -0.035) 0.868 10.039 ( -0.011 -1.038 -0.019) 1.038 10.039 ( -0.011 1.038 -0.019) 1.038 ======================= Grid point 34 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 -1.046 -0.000) 1.046 0.899 ( 0.000 1.046 0.000) 1.046 1.057 ( -0.000 -0.103 -0.000) 0.103 1.057 ( 0.000 0.103 -0.000) 0.103 1.123 ( 0.000 -3.584 0.000) 3.584 1.123 ( 0.000 3.584 0.000) 3.584 1.201 ( 0.000 -3.067 -0.000) 3.067 1.201 ( 0.000 3.067 0.000) 3.067 1.668 ( 0.000 -2.745 0.000) 2.745 1.668 ( 0.000 2.745 -0.000) 2.745 1.722 ( 0.000 -2.717 -0.000) 2.717 1.722 ( 0.000 2.717 -0.000) 2.717 2.029 ( 0.000 -2.176 -0.000) 2.176 2.029 ( 0.000 2.176 -0.000) 2.176 2.113 ( 0.000 -4.677 -0.000) 4.677 2.113 ( 0.000 4.677 0.000) 4.677 2.380 ( 0.000 -9.007 0.000) 9.007 2.380 ( 0.000 9.007 0.000) 9.007 2.530 ( 0.000 -4.740 0.000) 4.740 2.530 ( 0.000 4.740 -0.000) 4.740 2.581 ( 0.000 -5.118 -0.000) 5.118 2.581 ( 0.000 5.118 -0.000) 5.118 2.730 ( 0.000 -2.320 -0.000) 2.320 2.730 ( 0.000 2.320 -0.000) 2.320 3.022 ( 0.000 -0.626 0.000) 0.626 3.022 ( 0.000 0.626 -0.000) 0.626 3.431 ( 0.000 -2.540 0.000) 2.540 3.431 ( 0.000 2.540 -0.000) 2.540 3.645 ( 0.000 -0.625 0.000) 0.625 3.645 ( 0.000 0.625 -0.000) 0.625 4.217 ( 0.000 -4.006 -0.000) 4.006 4.217 ( 0.000 4.006 0.000) 4.006 4.464 ( 0.000 -1.018 0.000) 1.018 4.464 ( 0.000 1.018 0.000) 1.018 4.731 ( 0.000 -3.974 0.000) 3.974 4.731 ( 0.000 3.974 0.000) 3.974 5.246 ( 0.000 -1.015 0.000) 1.015 5.246 ( 0.000 1.015 -0.000) 1.015 5.356 ( 0.000 -0.785 -0.000) 0.785 5.356 ( 0.000 0.785 -0.000) 0.785 5.744 ( 0.000 -3.384 -0.000) 3.384 5.744 ( 0.000 3.384 -0.000) 3.384 6.224 ( 0.000 -10.091 0.000) 10.091 6.224 ( 0.000 10.091 0.000) 10.091 6.580 ( 0.000 -3.135 0.000) 3.135 6.580 ( 0.000 3.135 -0.000) 3.135 8.209 ( 0.000 -1.237 0.000) 1.237 8.209 ( 0.000 1.237 0.000) 1.237 8.890 ( 0.000 -4.058 0.000) 4.058 8.890 ( 0.000 4.058 -0.000) 4.058 9.874 ( 0.000 -0.937 0.000) 0.937 9.874 ( 0.000 0.937 -0.000) 0.937 10.039 ( 0.000 -1.102 -0.000) 1.102 10.039 ( 0.000 1.102 -0.000) 1.102 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( -12.759 0.000 14.408) 19.245 0.379 ( 1.939 0.000 17.666) 17.772 0.575 ( 1.631 0.000 26.904) 26.953 1.044 ( 1.343 0.000 -1.469) 1.990 1.115 ( 0.429 0.000 6.900) 6.914 1.174 ( -3.659 0.000 -1.471) 3.943 1.267 ( -0.131 0.000 -2.696) 2.699 1.365 ( 1.642 0.000 0.964) 1.904 1.555 ( 15.673 0.000 -0.378) 15.678 1.560 ( -1.512 0.000 7.203) 7.360 1.672 ( -1.165 0.000 1.506) 1.904 1.683 ( -4.137 0.000 -3.810) 5.625 1.820 ( 5.662 0.000 0.096) 5.663 1.873 ( -3.536 0.000 3.029) 4.656 2.022 ( -3.799 0.000 1.536) 4.098 2.160 ( 0.201 0.000 -1.913) 1.923 2.299 ( 1.419 0.000 -1.973) 2.430 2.341 ( 2.305 0.000 -3.903) 4.533 2.433 ( 2.840 0.000 -2.765) 3.964 2.589 ( -1.476 0.000 -7.868) 8.005 2.665 ( -1.299 0.000 -0.201) 1.314 2.738 ( 0.963 0.000 -2.273) 2.468 3.209 ( 0.730 0.000 0.909) 1.166 3.246 ( -4.290 0.000 1.918) 4.699 3.262 ( 0.016 0.000 0.666) 0.666 3.290 ( 1.420 0.000 2.456) 2.837 3.439 ( 2.307 0.000 -1.488) 2.746 3.526 ( 0.143 0.000 -1.990) 1.995 3.526 ( -2.257 0.000 1.900) 2.950 3.782 ( 0.165 0.000 -1.424) 1.433 4.068 ( 8.879 0.000 0.609) 8.900 4.144 ( 0.928 0.000 -0.296) 0.974 4.483 ( -3.586 0.000 4.006) 5.376 4.641 ( -0.414 0.000 2.483) 2.518 4.803 ( -1.000 0.000 -1.259) 1.608 4.878 ( -12.468 0.000 0.804) 12.494 5.052 ( 5.998 0.000 -4.138) 7.287 5.220 ( -1.052 0.000 3.359) 3.520 5.278 ( -3.252 0.000 -5.492) 6.382 5.623 ( 1.092 0.000 -5.577) 5.682 5.654 ( -0.490 0.000 2.562) 2.608 5.750 ( -3.808 0.000 -1.470) 4.082 6.019 ( -0.275 0.000 3.036) 3.049 6.099 ( -1.120 0.000 -0.356) 1.175 6.422 ( 9.535 0.000 5.032) 10.782 6.789 ( -0.337 0.000 -0.862) 0.925 8.121 ( 0.024 0.000 2.348) 2.348 8.217 ( 0.112 0.000 0.170) 0.203 8.725 ( 0.133 0.000 1.712) 1.717 9.085 ( 0.013 0.000 -2.868) 2.868 9.808 ( -0.077 0.000 0.483) 0.489 9.866 ( 0.804 0.000 -0.352) 0.877 9.920 ( 0.042 0.000 1.902) 1.903 10.119 ( -3.400 0.000 -1.088) 3.570 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.203 ( 16.260 0.000 0.197) 16.261 0.521 ( 10.937 0.000 13.715) 17.541 0.789 ( 14.344 0.000 21.275) 25.659 1.050 ( -0.767 0.000 -0.306) 0.825 1.083 ( -5.307 0.000 -3.080) 6.136 1.113 ( -1.138 0.000 7.186) 7.275 1.238 ( -1.732 0.000 -2.517) 3.055 1.374 ( -1.695 0.000 1.354) 2.169 1.506 ( -2.651 0.000 6.302) 6.837 1.626 ( -0.487 0.000 -1.378) 1.462 1.629 ( -2.801 0.000 1.607) 3.230 1.796 ( 0.513 0.000 3.192) 3.233 1.870 ( 6.646 0.000 -7.514) 10.032 1.889 ( -2.919 0.000 3.161) 4.303 2.021 ( 7.217 0.000 -1.212) 7.318 2.118 ( -4.751 0.000 -1.518) 4.987 2.298 ( -0.093 0.000 -0.720) 0.726 2.375 ( -8.079 0.000 -4.437) 9.217 2.389 ( 1.957 0.000 -2.027) 2.817 2.571 ( -0.014 0.000 -8.190) 8.190 2.642 ( -0.796 0.000 -2.317) 2.450 2.739 ( -0.411 0.000 -3.534) 3.558 3.155 ( -6.381 0.000 7.536) 9.875 3.197 ( -6.256 0.000 2.113) 6.603 3.227 ( 3.818 0.000 -2.414) 4.517 3.291 ( -0.344 0.000 0.962) 1.022 3.454 ( -1.789 0.000 -0.047) 1.789 3.518 ( 1.367 0.000 2.039) 2.455 3.525 ( -0.212 0.000 -3.236) 3.243 3.805 ( 1.819 0.000 -1.042) 2.096 4.194 ( -0.167 0.000 2.946) 2.951 4.216 ( 6.079 0.000 -0.285) 6.086 4.374 ( -6.112 0.000 2.852) 6.745 4.433 ( -10.706 0.000 11.314) 15.577 4.644 ( -0.167 0.000 1.841) 1.848 4.856 ( 0.881 0.000 2.212) 2.381 5.183 ( 5.170 0.000 -0.183) 5.173 5.283 ( 8.374 0.000 1.483) 8.504 5.373 ( 4.465 0.000 -5.814) 7.331 5.622 ( -2.434 0.000 3.042) 3.896 5.630 ( -1.952 0.000 -4.510) 4.915 5.689 ( 1.400 0.000 -3.663) 3.921 6.005 ( -0.344 0.000 4.485) 4.499 6.068 ( -2.089 0.000 -1.356) 2.491 6.757 ( -2.801 0.000 -0.832) 2.922 6.785 ( 14.692 0.000 -15.508) 21.363 8.120 ( -0.101 0.000 2.336) 2.338 8.216 ( -0.141 0.000 0.252) 0.288 8.725 ( -0.129 0.000 1.796) 1.800 9.084 ( -0.026 0.000 -2.885) 2.885 9.810 ( 0.336 0.000 0.488) 0.593 9.913 ( 2.352 0.000 -2.506) 3.436 9.922 ( 0.105 0.000 1.989) 1.992 10.078 ( -0.209 0.000 0.112) 0.237 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 17.516 0.000 -3.238) 17.813 0.744 ( 11.103 0.000 8.932) 14.250 0.979 ( -4.075 0.000 8.545) 9.467 0.993 ( -3.690 0.000 0.657) 3.748 1.017 ( -2.576 0.000 -3.039) 3.984 1.145 ( 12.694 0.000 9.494) 15.852 1.239 ( 2.161 0.000 -1.971) 2.925 1.312 ( -3.537 0.000 1.250) 3.751 1.485 ( -0.801 0.000 4.490) 4.561 1.585 ( -1.712 0.000 3.728) 4.102 1.631 ( 0.120 0.000 -0.571) 0.583 1.774 ( -1.970 0.000 3.439) 3.964 1.791 ( -5.514 0.000 1.088) 5.621 1.904 ( -3.412 0.000 0.832) 3.512 1.996 ( -7.068 0.000 -3.013) 7.683 2.188 ( 7.949 0.000 0.500) 7.965 2.227 ( -5.870 0.000 -2.739) 6.477 2.321 ( 2.805 0.000 -2.403) 3.693 2.400 ( -0.063 0.000 -3.610) 3.610 2.585 ( 1.661 0.000 -7.140) 7.331 2.640 ( 0.800 0.000 -2.617) 2.736 2.719 ( -1.855 0.000 -5.547) 5.849 3.049 ( -4.401 0.000 8.866) 9.899 3.057 ( -8.118 0.000 2.497) 8.494 3.289 ( 0.332 0.000 -0.466) 0.572 3.317 ( 4.823 0.000 -1.173) 4.963 3.400 ( -3.468 0.000 -0.135) 3.471 3.522 ( 0.103 0.000 -3.058) 3.060 3.554 ( 2.310 0.000 2.822) 3.647 3.835 ( 1.328 0.000 -1.132) 1.745 4.110 ( -4.935 0.000 8.814) 10.101 4.287 ( -3.145 0.000 3.149) 4.450 4.328 ( 4.729 0.000 1.542) 4.974 4.411 ( 2.118 0.000 1.481) 2.584 4.640 ( 0.134 0.000 1.028) 1.037 4.862 ( -0.369 0.000 2.803) 2.827 5.262 ( 3.692 0.000 1.996) 4.197 5.397 ( 0.067 0.000 -3.385) 3.385 5.423 ( 2.046 0.000 -5.937) 6.280 5.575 ( -2.406 0.000 -2.272) 3.310 5.626 ( 4.253 0.000 5.024) 6.582 5.763 ( 4.369 0.000 -2.526) 5.046 5.990 ( -1.459 0.000 2.186) 2.628 6.025 ( -1.888 0.000 -1.691) 2.534 6.698 ( -2.872 0.000 -0.338) 2.892 6.921 ( 2.689 0.000 -12.510) 12.795 8.119 ( -0.096 0.000 2.252) 2.254 8.212 ( -0.252 0.000 0.335) 0.419 8.723 ( -0.068 0.000 1.697) 1.698 9.083 ( 0.012 0.000 -2.873) 2.873 9.818 ( 0.394 0.000 0.550) 0.677 9.925 ( 0.031 0.000 2.050) 2.050 9.929 ( -0.024 0.000 -0.975) 0.976 10.096 ( 1.537 0.000 -1.415) 2.089 ======================= Grid point 66 (24/100) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -9.834 0.000 1.277) 9.917 0.836 ( -4.952 0.000 3.272) 5.935 0.841 ( 6.960 0.000 5.412) 8.816 0.947 ( -0.313 0.000 2.465) 2.485 1.034 ( 6.332 0.000 -0.980) 6.407 1.276 ( 2.381 0.000 -0.465) 2.426 1.287 ( 1.601 0.000 2.068) 2.616 1.432 ( 11.059 0.000 -2.081) 11.254 1.450 ( -3.013 0.000 2.270) 3.772 1.567 ( -0.356 0.000 4.840) 4.853 1.573 ( -9.295 0.000 5.086) 10.596 1.685 ( -4.620 0.000 3.671) 5.901 1.729 ( -0.749 0.000 1.047) 1.287 1.849 ( -0.077 0.000 4.288) 4.289 1.928 ( 1.522 0.000 -2.410) 2.850 2.157 ( -2.304 0.000 -4.044) 4.654 2.254 ( -0.842 0.000 -0.784) 1.151 2.390 ( 3.971 0.000 -0.955) 4.084 2.407 ( 0.127 0.000 -4.966) 4.968 2.630 ( 3.091 0.000 -5.197) 6.047 2.660 ( -3.892 0.000 -4.334) 5.826 2.675 ( 2.933 0.000 -0.846) 3.052 2.925 ( -4.655 0.000 1.798) 4.990 3.013 ( 0.286 0.000 5.169) 5.176 3.307 ( 1.169 0.000 -1.519) 1.917 3.336 ( -2.619 0.000 -1.146) 2.859 3.388 ( 2.427 0.000 2.488) 3.475 3.525 ( 0.325 0.000 -2.491) 2.512 3.599 ( 1.972 0.000 3.926) 4.393 3.851 ( 0.301 0.000 -2.259) 2.279 4.037 ( -3.348 0.000 5.559) 6.489 4.251 ( -1.148 0.000 2.688) 2.923 4.377 ( 0.696 0.000 3.863) 3.925 4.461 ( 3.255 0.000 2.649) 4.197 4.656 ( 1.342 0.000 0.861) 1.594 4.848 ( -0.923 0.000 2.578) 2.738 5.255 ( -5.714 0.000 -1.563) 5.924 5.397 ( 3.150 0.000 -1.498) 3.488 5.462 ( 2.443 0.000 -8.107) 8.467 5.544 ( -1.073 0.000 -0.232) 1.098 5.667 ( -2.530 0.000 2.782) 3.760 5.820 ( 1.274 0.000 3.164) 3.411 5.960 ( -1.327 0.000 -2.359) 2.706 6.035 ( 3.207 0.000 0.544) 3.253 6.669 ( 0.214 0.000 0.008) 0.214 6.929 ( -0.959 0.000 -11.077) 11.119 8.118 ( -0.136 0.000 2.215) 2.219 8.209 ( -0.126 0.000 0.331) 0.354 8.723 ( -0.055 0.000 1.629) 1.630 9.083 ( 0.089 0.000 -2.845) 2.847 9.823 ( 0.062 0.000 0.613) 0.617 9.923 ( -0.505 0.000 -0.633) 0.810 9.925 ( -0.113 0.000 2.023) 2.026 10.123 ( 1.306 0.000 -1.230) 1.794 ======================= Grid point 67 (25/100) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -14.711 0.000 4.308) 15.329 0.661 ( -11.564 0.000 6.195) 13.119 0.969 ( 1.958 0.000 -1.100) 2.246 0.993 ( 6.186 0.000 6.201) 8.759 1.149 ( 4.652 0.000 -0.946) 4.748 1.267 ( -17.567 0.000 11.264) 20.868 1.305 ( -2.884 0.000 -0.290) 2.899 1.365 ( 2.928 0.000 4.422) 5.304 1.401 ( 1.083 0.000 2.763) 2.968 1.462 ( -3.017 0.000 -2.495) 3.915 1.587 ( 2.481 0.000 4.369) 5.024 1.741 ( 1.225 0.000 -0.873) 1.504 1.741 ( 4.421 0.000 0.650) 4.468 1.892 ( 3.431 0.000 0.981) 3.568 2.031 ( 8.394 0.000 -2.380) 8.725 2.125 ( -0.787 0.000 -4.484) 4.552 2.198 ( -4.427 0.000 -0.190) 4.431 2.380 ( -2.449 0.000 -4.162) 4.829 2.437 ( 0.058 0.000 1.025) 1.027 2.615 ( 0.927 0.000 -4.226) 4.326 2.659 ( -0.234 0.000 -4.222) 4.229 2.696 ( -1.009 0.000 -0.365) 1.073 2.963 ( 8.415 0.000 -0.345) 8.422 3.049 ( 3.083 0.000 3.615) 4.751 3.280 ( -1.624 0.000 -1.323) 2.094 3.359 ( 2.806 0.000 -2.154) 3.538 3.403 ( -1.116 0.000 5.638) 5.747 3.530 ( 0.195 0.000 -2.087) 2.096 3.617 ( -0.522 0.000 4.812) 4.840 3.838 ( -1.614 0.000 -2.423) 2.911 3.989 ( -1.682 0.000 2.376) 2.911 4.227 ( -2.076 0.000 1.276) 2.437 4.391 ( 1.704 0.000 5.489) 5.747 4.543 ( 5.610 0.000 4.160) 6.984 4.679 ( 0.778 0.000 1.721) 1.888 4.840 ( 0.176 0.000 2.584) 2.590 5.126 ( -6.775 0.000 -3.193) 7.490 5.421 ( -3.560 0.000 -3.338) 4.881 5.507 ( 2.624 0.000 -8.663) 9.052 5.525 ( -1.385 0.000 0.423) 1.448 5.601 ( -0.913 0.000 4.283) 4.379 5.814 ( -1.387 0.000 3.788) 4.034 5.949 ( 0.112 0.000 -2.762) 2.764 6.095 ( 2.102 0.000 1.454) 2.556 6.707 ( 3.294 0.000 -0.135) 3.297 6.871 ( -5.496 0.000 -12.857) 13.983 8.116 ( -0.057 0.000 2.183) 2.184 8.209 ( 0.126 0.000 0.241) 0.272 8.722 ( -0.074 0.000 1.584) 1.586 9.084 ( 0.128 0.000 -2.829) 2.832 9.820 ( -0.346 0.000 0.618) 0.708 9.910 ( -0.930 0.000 -0.884) 1.284 9.922 ( -0.179 0.000 1.934) 1.942 10.144 ( 1.023 0.000 -1.118) 1.515 ======================= Grid point 68 (26/100) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -1.867 0.000 14.939) 15.055 0.456 ( -9.365 0.000 12.307) 15.465 0.868 ( -22.557 0.000 17.796) 28.732 1.009 ( 2.188 0.000 -1.843) 2.860 1.081 ( 3.093 0.000 7.196) 7.833 1.202 ( 0.885 0.000 -0.957) 1.304 1.269 ( -1.749 0.000 -3.189) 3.637 1.349 ( -0.528 0.000 1.107) 1.226 1.430 ( 0.198 0.000 2.786) 2.793 1.513 ( 5.700 0.000 7.575) 9.480 1.650 ( 3.140 0.000 3.664) 4.826 1.759 ( -2.239 0.000 -1.726) 2.827 1.762 ( 1.286 0.000 -2.954) 3.222 1.928 ( -0.878 0.000 -1.891) 2.085 2.106 ( -5.034 0.000 1.457) 5.240 2.128 ( 2.287 0.000 -3.317) 4.029 2.198 ( 7.894 0.000 -1.808) 8.099 2.334 ( -1.547 0.000 -3.561) 3.883 2.411 ( -1.330 0.000 -0.755) 1.530 2.626 ( -2.122 0.000 -6.876) 7.196 2.683 ( 4.648 0.000 -2.701) 5.376 2.684 ( -0.665 0.000 0.304) 0.731 3.127 ( 5.102 0.000 4.131) 6.565 3.152 ( 9.999 0.000 0.326) 10.004 3.269 ( 0.308 0.000 -0.683) 0.750 3.348 ( -4.890 0.000 5.425) 7.303 3.406 ( 1.975 0.000 -2.238) 2.985 3.529 ( -0.249 0.000 -1.854) 1.871 3.581 ( -3.102 0.000 4.255) 5.266 3.801 ( -1.827 0.000 -1.780) 2.551 3.979 ( 0.979 0.000 1.241) 1.581 4.173 ( -3.090 0.000 0.281) 3.103 4.456 ( 4.252 0.000 6.135) 7.464 4.675 ( -1.627 0.000 2.255) 2.781 4.680 ( 8.831 0.000 3.116) 9.364 4.864 ( 2.536 0.000 3.954) 4.698 5.026 ( -2.898 0.000 -4.640) 5.470 5.296 ( -6.741 0.000 0.144) 6.743 5.465 ( -5.954 0.000 -5.863) 8.356 5.567 ( 4.082 0.000 -5.514) 6.861 5.634 ( 2.247 0.000 2.969) 3.723 5.787 ( -1.482 0.000 0.009) 1.482 5.964 ( 2.041 0.000 2.092) 2.922 6.111 ( -0.151 0.000 0.693) 0.709 6.667 ( -17.197 0.000 -13.472) 21.845 6.767 ( 2.550 0.000 -0.513) 2.601 8.118 ( 0.124 0.000 2.256) 2.259 8.213 ( 0.254 0.000 0.163) 0.302 8.722 ( 0.022 0.000 1.613) 1.613 9.085 ( 0.089 0.000 -2.840) 2.842 9.813 ( -0.428 0.000 0.549) 0.696 9.886 ( -1.649 0.000 -1.034) 1.946 9.920 ( -0.097 0.000 1.874) 1.877 10.155 ( -0.175 0.000 -2.054) 2.061 ======================= Grid point 69 (27/100) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 0.199 3.526 9.983) 10.589 0.448 ( -10.522 10.944 9.423) 17.868 0.821 ( 3.173 15.314 20.240) 25.579 1.036 ( 0.052 -0.425 -0.589) 0.728 1.126 ( 1.074 -0.005 1.302) 1.688 1.172 ( -1.950 -0.692 -3.324) 3.916 1.221 ( 0.500 -0.921 0.926) 1.398 1.373 ( -0.593 -0.461 1.908) 2.051 1.473 ( 9.221 -3.035 3.829) 10.435 1.603 ( -0.608 2.230 2.746) 3.589 1.701 ( 0.177 3.513 1.521) 3.832 1.724 ( -3.990 1.517 -2.717) 5.060 1.813 ( 1.126 1.549 0.053) 1.916 1.943 ( 1.799 -0.152 -4.568) 4.912 1.977 ( 0.184 0.894 5.816) 5.887 2.160 ( 0.067 -1.336 -1.789) 2.234 2.292 ( 0.503 -0.622 -0.425) 0.906 2.328 ( 0.155 -0.029 -1.379) 1.388 2.389 ( -2.477 -1.462 -7.843) 8.354 2.590 ( -1.606 -0.823 -6.142) 6.402 2.668 ( -1.267 -1.282 -0.552) 1.885 2.731 ( 0.086 -0.608 -2.062) 2.152 3.057 ( 1.100 -8.019 4.833) 9.427 3.182 ( 1.974 -2.806 0.178) 3.435 3.245 ( 1.498 -5.230 1.629) 5.679 3.339 ( -1.812 -4.873 0.293) 5.207 3.391 ( -0.462 2.103 0.801) 2.298 3.462 ( 1.127 -2.302 -0.227) 2.573 3.609 ( -0.405 2.185 -0.771) 2.352 3.727 ( 0.333 -4.557 -0.422) 4.589 4.106 ( 4.251 4.075 3.040) 6.627 4.169 ( 1.220 1.446 0.245) 1.908 4.404 ( -2.108 -2.468 3.401) 4.701 4.609 ( -1.572 -2.573 2.337) 3.814 4.790 ( 1.123 -0.836 -0.863) 1.645 4.891 ( -4.314 1.011 -1.252) 4.605 5.096 ( 5.519 3.309 -4.212) 7.691 5.199 ( -8.376 -3.725 -3.667) 9.873 5.272 ( 2.704 -0.580 -0.877) 2.901 5.612 ( -1.236 -4.734 0.901) 4.975 5.646 ( -0.993 1.324 -2.373) 2.893 5.779 ( -0.512 3.789 -0.589) 3.868 5.952 ( -0.838 -3.410 4.514) 5.719 6.230 ( 0.689 8.512 -2.346) 8.856 6.446 ( 3.265 2.507 5.112) 6.564 6.758 ( -0.090 -3.038 -0.573) 3.093 8.133 ( 0.059 1.161 1.740) 2.093 8.221 ( -0.143 0.237 0.195) 0.338 8.734 ( 0.113 0.990 1.748) 2.012 9.072 ( 0.171 -1.523 -2.459) 2.897 9.841 ( -0.208 1.488 -0.880) 1.741 9.868 ( 0.577 0.251 -0.287) 0.691 9.951 ( 0.560 2.240 -0.731) 2.422 10.098 ( -2.014 -1.504 -0.194) 2.521 ======================= Grid point 70 (28/100) ======================= q-point: ( 0.17 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 7.490 12.633 1.146) 14.731 0.430 ( 10.572 -2.066 10.840) 15.282 0.975 ( 7.711 10.655 14.336) 19.455 1.021 ( -0.765 -0.761 1.999) 2.272 1.106 ( -3.388 2.102 -3.688) 5.431 1.143 ( 0.599 -0.061 0.957) 1.131 1.209 ( -1.938 0.026 0.967) 2.166 1.356 ( -2.535 -1.916 2.306) 3.926 1.522 ( -1.663 1.667 3.398) 4.134 1.637 ( -2.822 1.111 -0.246) 3.043 1.669 ( 1.062 1.108 3.003) 3.372 1.763 ( 4.697 -2.425 -2.580) 5.882 1.822 ( 3.185 1.360 -0.374) 3.483 1.934 ( -2.631 -0.954 3.375) 4.384 2.034 ( 3.880 3.281 -1.277) 5.240 2.127 ( -3.468 0.080 -2.067) 4.038 2.263 ( -2.040 -4.009 1.033) 4.616 2.315 ( -0.157 1.450 -1.646) 2.200 2.395 ( 0.160 -1.601 -5.702) 5.925 2.561 ( -1.482 -2.555 -6.875) 7.483 2.613 ( -2.968 -1.216 -1.686) 3.623 2.730 ( 1.062 -0.922 -2.968) 3.284 3.063 ( -1.522 -5.695 5.146) 7.825 3.183 ( -2.901 -4.023 -1.095) 5.079 3.193 ( -3.602 -1.236 3.420) 5.118 3.332 ( 1.412 0.773 -0.721) 1.764 3.397 ( -0.306 -4.388 -0.287) 4.408 3.461 ( -1.068 -2.013 0.562) 2.347 3.611 ( 0.341 2.845 0.057) 2.866 3.756 ( 2.210 -4.088 -0.245) 4.653 4.131 ( -1.781 -0.380 5.998) 6.268 4.225 ( 3.905 0.133 0.888) 4.006 4.386 ( 1.704 2.491 -1.974) 3.606 4.595 ( -6.311 3.985 -0.143) 7.465 4.645 ( -5.572 2.036 3.727) 7.006 4.857 ( 0.742 0.315 1.563) 1.759 5.202 ( 9.164 -2.732 -1.325) 9.654 5.217 ( 3.236 1.281 1.662) 3.856 5.351 ( 3.863 -4.219 -7.059) 9.085 5.551 ( -4.690 -4.191 2.476) 6.759 5.645 ( 1.701 -0.682 -4.068) 4.462 5.734 ( -2.386 5.569 1.654) 6.280 5.945 ( 0.000 -3.253 3.311) 4.642 6.207 ( -1.988 9.144 -2.395) 9.659 6.663 ( 11.202 -7.319 -3.963) 13.956 6.737 ( -1.124 -2.503 -1.111) 2.960 8.131 ( -0.269 1.098 1.855) 2.172 8.218 ( -0.130 0.131 0.151) 0.238 8.735 ( -0.033 1.082 1.838) 2.133 9.072 ( -0.029 -1.357 -2.443) 2.794 9.831 ( -0.274 1.232 -0.121) 1.268 9.898 ( 1.507 -0.491 -0.328) 1.619 9.958 ( -0.003 1.937 -1.055) 2.206 10.073 ( -0.148 -0.414 -0.079) 0.447 ======================= Grid point 71 (29/100) ======================= q-point: ( 0.33 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 13.732 5.490 -2.572) 15.010 0.672 ( 14.329 -4.176 7.366) 16.644 0.947 ( -4.494 -1.429 2.346) 5.267 0.983 ( -4.990 0.175 -0.293) 5.002 1.086 ( -4.488 3.391 1.060) 5.724 1.190 ( 1.114 -3.120 -2.351) 4.062 1.229 ( 4.310 3.278 6.309) 8.314 1.307 ( 2.460 1.973 4.577) 5.558 1.495 ( -1.558 0.653 1.891) 2.536 1.590 ( -1.418 1.017 1.358) 2.211 1.689 ( 0.453 2.940 0.691) 3.054 1.775 ( -0.218 2.474 0.995) 2.676 1.836 ( -4.383 3.362 3.062) 6.316 1.925 ( -0.027 -2.165 -1.986) 2.938 1.981 ( -6.475 2.966 2.263) 7.472 2.159 ( 3.849 -3.002 -0.529) 4.910 2.225 ( -1.365 -0.315 -2.770) 3.104 2.328 ( 2.055 0.810 -2.057) 3.019 2.392 ( 0.431 -1.546 -3.245) 3.620 2.520 ( -1.352 -2.608 -4.683) 5.528 2.590 ( 0.188 -1.956 -2.134) 2.901 2.779 ( 3.286 1.309 -4.373) 5.625 3.008 ( -3.829 -2.709 4.585) 6.559 3.049 ( -7.914 -1.242 2.882) 8.514 3.185 ( 0.022 -6.067 0.810) 6.120 3.367 ( -1.499 -0.422 -0.507) 1.638 3.391 ( 2.849 -1.004 -0.851) 3.138 3.437 ( -0.978 -3.797 0.335) 3.936 3.621 ( 0.790 2.756 1.350) 3.169 3.794 ( 1.594 -3.738 -0.673) 4.119 4.077 ( -2.919 0.303 5.268) 6.030 4.316 ( 4.365 -0.832 0.525) 4.474 4.407 ( -2.703 5.227 -3.125) 6.663 4.462 ( -1.037 5.442 4.372) 7.057 4.638 ( 0.546 -0.752 0.800) 1.226 4.863 ( -0.285 0.021 2.489) 2.505 5.274 ( 2.615 0.937 2.455) 3.708 5.353 ( 3.315 -5.362 -5.608) 8.437 5.386 ( 0.054 -1.847 -4.424) 4.794 5.488 ( 0.837 -6.010 2.755) 6.664 5.678 ( 0.856 2.856 1.044) 3.159 5.731 ( 2.124 0.113 1.394) 2.543 5.939 ( -0.784 -2.602 -0.093) 2.719 6.171 ( -1.420 9.161 -2.792) 9.682 6.677 ( -2.412 -2.297 -0.015) 3.331 6.820 ( 3.899 -7.820 -7.514) 11.525 8.127 ( -0.212 0.848 1.840) 2.038 8.216 ( -0.099 0.292 0.100) 0.324 8.735 ( -0.085 1.149 1.834) 2.166 9.070 ( -0.081 -1.317 -2.423) 2.759 9.831 ( 0.212 0.950 0.215) 0.997 9.916 ( 0.506 -0.455 -0.083) 0.686 9.950 ( -0.610 1.446 0.335) 1.605 10.087 ( 1.165 -0.848 -1.109) 1.818 ======================= Grid point 72 (30/100) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -8.594 0.782 0.991) 8.686 0.813 ( 1.806 0.436 0.885) 2.058 0.881 ( 0.498 2.287 5.062) 5.577 0.964 ( 6.316 -0.510 4.366) 7.696 1.019 ( 1.302 0.878 -3.091) 3.467 1.217 ( 1.020 -3.888 1.898) 4.445 1.226 ( 0.948 -4.704 0.014) 4.798 1.408 ( 2.599 -2.297 -0.596) 3.519 1.515 ( -0.391 4.586 0.791) 4.670 1.576 ( 0.236 1.505 4.427) 4.682 1.644 ( -4.089 5.398 1.520) 6.940 1.735 ( -3.113 3.260 1.600) 4.783 1.781 ( -0.774 4.764 2.618) 5.491 1.882 ( -2.390 3.775 4.338) 6.227 1.932 ( 2.142 0.262 -1.721) 2.760 2.121 ( -4.036 -3.411 -5.861) 7.892 2.264 ( 1.403 0.587 0.473) 1.593 2.381 ( 1.231 -0.638 -2.578) 2.927 2.404 ( 2.630 -1.445 -2.555) 3.941 2.546 ( 3.537 -2.492 -3.422) 5.516 2.609 ( 1.774 -1.903 0.204) 2.609 2.804 ( -1.795 5.602 -3.193) 6.693 2.914 ( -3.884 -1.165 1.482) 4.318 2.971 ( -0.251 -3.423 2.929) 4.512 3.187 ( -0.190 -7.940 0.998) 8.005 3.327 ( -1.457 -0.936 -1.384) 2.216 3.418 ( -0.112 -7.916 0.632) 7.942 3.458 ( 2.282 3.322 0.591) 4.073 3.640 ( 1.073 2.079 2.031) 3.098 3.809 ( -0.125 -4.110 -1.327) 4.321 4.036 ( -1.601 1.378 2.854) 3.551 4.329 ( -3.783 5.157 -0.719) 6.436 4.365 ( 0.945 -0.535 2.633) 2.848 4.505 ( 3.534 3.036 2.691) 5.380 4.659 ( 1.640 -0.283 0.026) 1.665 4.852 ( -0.652 0.093 2.327) 2.419 5.260 ( -5.196 0.589 -1.257) 5.378 5.348 ( -1.329 -6.688 -4.509) 8.174 5.386 ( 2.573 -2.495 -1.811) 4.016 5.570 ( 4.515 -0.441 0.465) 4.561 5.686 ( -0.495 1.283 2.500) 2.853 5.751 ( -1.150 -2.017 5.955) 6.391 5.926 ( -0.224 -2.130 -4.319) 4.821 6.169 ( 1.431 8.797 -2.012) 9.137 6.651 ( 0.012 -1.987 0.160) 1.993 6.845 ( -0.664 -7.020 -7.698) 10.439 8.125 ( -0.110 0.737 1.770) 1.920 8.215 ( -0.011 0.502 0.121) 0.517 8.734 ( -0.106 1.102 1.780) 2.096 9.069 ( -0.016 -1.422 -2.437) 2.822 9.834 ( 0.041 0.836 0.329) 0.900 9.919 ( -0.128 -0.289 -0.625) 0.700 9.941 ( -0.362 1.355 1.240) 1.872 10.107 ( 1.012 -1.368 -1.013) 1.980 ======================= Grid point 73 (31/100) ======================= q-point: (-0.33 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -11.101 6.683 1.296) 13.022 0.682 ( -9.206 2.554 6.621) 11.624 0.981 ( 3.388 0.481 1.618) 3.786 1.015 ( 3.780 2.601 2.251) 5.111 1.124 ( 4.593 -2.160 -0.898) 5.154 1.235 ( -0.389 -4.051 -0.708) 4.130 1.270 ( 3.000 -5.446 4.361) 7.594 1.316 ( -14.999 2.374 8.578) 17.441 1.465 ( -4.229 4.489 0.561) 6.192 1.509 ( 4.694 2.776 -0.034) 5.454 1.663 ( -1.665 5.208 0.572) 5.498 1.756 ( 3.114 1.974 -0.858) 3.785 1.783 ( 2.704 3.211 1.487) 4.454 1.898 ( 2.443 0.765 0.222) 2.570 1.971 ( -0.314 -3.489 -0.670) 3.566 2.078 ( 1.605 -2.739 -3.894) 5.024 2.262 ( -0.755 3.456 -0.432) 3.564 2.367 ( -1.573 -0.203 -2.146) 2.669 2.463 ( 1.925 0.979 -0.834) 2.315 2.596 ( 1.504 -4.437 -2.537) 5.328 2.647 ( 2.137 0.711 -0.706) 2.360 2.729 ( -4.185 3.485 -2.484) 5.986 2.933 ( 4.759 -2.627 0.612) 5.471 3.008 ( 3.510 -3.636 2.347) 5.572 3.175 ( -0.590 -7.141 0.844) 7.215 3.330 ( 1.627 -2.181 -2.678) 3.818 3.418 ( 0.119 -7.485 0.708) 7.519 3.475 ( -0.794 3.345 3.357) 4.806 3.652 ( -0.169 1.471 2.137) 2.600 3.787 ( -1.933 -4.649 -1.435) 5.235 4.017 ( -0.509 2.712 0.779) 2.868 4.263 ( -3.386 2.855 -0.811) 4.503 4.374 ( 0.532 -0.743 3.514) 3.631 4.591 ( 5.397 2.536 2.424) 6.437 4.689 ( 1.279 0.391 0.812) 1.564 4.849 ( 0.455 0.377 1.702) 1.802 5.143 ( -6.400 1.063 -2.693) 7.025 5.307 ( -2.786 -6.104 -1.956) 6.989 5.440 ( 2.153 -3.545 -3.026) 5.134 5.629 ( 0.970 7.129 -0.832) 7.243 5.662 ( -1.402 0.887 2.279) 2.819 5.709 ( -1.640 -6.317 4.937) 8.183 5.928 ( 0.441 -1.697 -2.495) 3.049 6.202 ( 1.471 7.927 -1.129) 8.141 6.680 ( 2.803 -2.689 -0.031) 3.884 6.786 ( -5.739 -6.505 -7.780) 11.653 8.125 ( 0.071 0.835 1.718) 1.911 8.217 ( 0.186 0.599 0.105) 0.636 8.732 ( -0.098 1.041 1.715) 2.008 9.068 ( 0.067 -1.549 -2.453) 2.902 9.833 ( -0.164 0.891 0.260) 0.943 9.910 ( -0.852 -0.089 -0.767) 1.150 9.938 ( 0.065 1.493 1.034) 1.817 10.123 ( 0.595 -1.863 -0.813) 2.118 ======================= Grid point 74 (32/100) ======================= q-point: (-0.17 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -7.898 7.409 3.323) 11.327 0.552 ( -3.678 8.501 11.828) 15.023 0.976 ( -17.275 8.917 15.653) 24.959 1.020 ( 1.545 0.548 -1.215) 2.040 1.088 ( 2.971 1.310 3.934) 5.101 1.179 ( 1.378 -2.017 -1.460) 2.845 1.225 ( -1.115 -2.461 -2.461) 3.655 1.346 ( 3.715 -4.370 4.174) 7.093 1.406 ( -2.167 3.519 0.330) 4.146 1.585 ( 2.643 3.289 2.785) 5.056 1.674 ( 2.580 2.547 2.041) 4.161 1.772 ( 0.202 0.791 -2.314) 2.454 1.807 ( -1.850 4.402 -1.838) 5.116 1.932 ( 0.586 -0.007 -2.416) 2.486 1.964 ( 1.085 -5.673 3.523) 6.766 2.136 ( 2.628 -2.481 -1.525) 3.923 2.263 ( 1.258 3.165 -3.311) 4.751 2.336 ( -1.209 0.978 -1.186) 1.956 2.454 ( -2.565 1.649 -3.761) 4.842 2.612 ( 0.088 -1.866 -4.860) 5.207 2.671 ( -0.684 -1.202 0.404) 1.441 2.702 ( 2.610 2.170 -2.768) 4.380 3.023 ( 3.274 -7.873 6.240) 10.566 3.095 ( 5.450 -4.969 0.297) 7.381 3.192 ( 2.612 -4.236 -0.558) 5.008 3.359 ( 0.546 -4.577 -1.068) 4.732 3.430 ( 1.405 -4.052 -0.010) 4.289 3.434 ( -3.118 2.979 3.626) 5.634 3.632 ( -1.737 1.447 0.939) 2.448 3.747 ( -1.987 -4.713 -1.025) 5.217 4.027 ( 2.208 4.298 0.690) 4.881 4.200 ( -3.140 2.193 -0.227) 3.837 4.398 ( 1.651 -2.641 3.782) 4.899 4.661 ( -1.091 -0.983 2.585) 2.973 4.724 ( 4.238 1.331 -0.269) 4.451 4.881 ( 2.947 0.641 0.799) 3.120 5.044 ( -2.586 1.309 -4.145) 5.057 5.261 ( -1.480 -0.782 1.634) 2.339 5.408 ( -7.186 -5.433 -6.286) 10.985 5.614 ( -0.059 -0.141 -1.116) 1.126 5.651 ( 0.081 0.887 2.411) 2.571 5.738 ( 3.132 0.262 0.300) 3.157 5.940 ( 1.025 -1.855 2.286) 3.117 6.216 ( 0.261 7.966 -1.402) 8.092 6.606 ( -12.865 -3.254 -4.132) 13.899 6.735 ( 2.393 -3.097 -0.410) 3.935 8.129 ( 0.272 1.041 1.715) 2.024 8.221 ( 0.182 0.503 0.106) 0.546 8.732 ( 0.020 1.019 1.691) 1.974 9.069 ( 0.151 -1.595 -2.448) 2.925 9.833 ( 0.293 1.220 -0.104) 1.259 9.887 ( -1.457 0.132 -0.696) 1.620 9.942 ( 0.324 1.869 0.295) 1.920 10.125 ( -0.536 -2.328 -0.890) 2.549 ======================= Grid point 75 (33/100) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -2.171 10.641 -4.826) 11.884 0.672 ( -5.317 9.962 4.924) 12.319 1.018 ( -0.997 -1.679 -1.218) 2.302 1.047 ( 1.281 3.989 9.224) 10.131 1.083 ( 1.179 -2.351 -3.727) 4.562 1.165 ( -0.050 0.462 0.035) 0.466 1.292 ( 2.202 7.038 7.578) 10.575 1.353 ( 0.112 -0.228 2.673) 2.685 1.473 ( 4.304 2.854 -0.853) 5.234 1.637 ( -0.911 1.037 0.447) 1.451 1.720 ( -2.630 -0.698 -2.636) 3.788 1.786 ( 0.062 2.085 2.403) 3.182 1.849 ( -1.951 2.212 -2.359) 3.777 1.954 ( 1.916 3.322 -3.193) 4.990 2.023 ( 4.440 0.654 1.010) 4.600 2.117 ( 2.201 -0.717 -1.380) 2.695 2.266 ( -2.878 -2.154 -1.461) 3.881 2.330 ( -0.371 -0.132 -3.488) 3.510 2.402 ( -3.354 2.332 -4.271) 5.910 2.557 ( -2.211 -1.968 -2.786) 4.065 2.626 ( 0.090 -2.299 1.298) 2.642 2.705 ( -1.631 -2.053 -0.700) 2.714 2.912 ( 2.394 -6.883 4.048) 8.336 3.091 ( 1.741 -8.288 0.794) 8.506 3.111 ( 1.740 -3.657 -0.653) 4.102 3.247 ( -0.456 -4.669 1.127) 4.824 3.400 ( 0.528 -2.364 0.464) 2.466 3.415 ( -0.813 -1.636 1.320) 2.254 3.619 ( 0.731 -0.879 -0.597) 1.290 3.642 ( 0.193 -2.656 0.449) 2.701 4.191 ( 1.966 1.140 1.270) 2.603 4.204 ( -0.894 4.424 3.417) 5.661 4.422 ( 1.781 3.575 -3.269) 5.162 4.555 ( -2.875 -1.854 3.081) 4.604 4.775 ( 0.175 -1.399 -0.271) 1.436 4.933 ( -2.235 3.049 -3.461) 5.125 5.026 ( 2.141 -8.608 -6.566) 11.036 5.180 ( 0.488 2.423 -4.303) 4.962 5.307 ( -0.280 2.755 1.976) 3.402 5.497 ( -0.648 -5.830 1.884) 6.161 5.662 ( -2.406 0.286 -1.214) 2.710 5.833 ( 1.852 -1.648 0.907) 2.640 5.935 ( -1.259 4.640 5.060) 6.980 6.391 ( 1.210 6.837 -3.209) 7.649 6.504 ( -1.094 2.468 3.139) 4.140 6.672 ( 0.415 -4.984 -0.064) 5.001 8.161 ( 0.156 1.423 0.434) 1.496 8.223 ( -0.255 -0.080 0.024) 0.268 8.766 ( 0.122 2.209 1.674) 2.775 9.026 ( 0.226 -2.881 -1.616) 3.311 9.860 ( -0.157 0.583 -0.249) 0.653 9.874 ( 0.199 0.219 -0.272) 0.402 9.987 ( 0.368 1.338 -1.413) 1.980 10.070 ( -0.700 -1.215 -0.323) 1.439 ======================= Grid point 76 (34/100) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 3.562 7.443 -0.320) 8.258 0.635 ( 3.217 11.877 0.936) 12.340 0.985 ( -2.615 -1.903 -1.233) 3.461 1.072 ( 0.765 -1.121 0.429) 1.423 1.086 ( -2.345 -0.932 -2.866) 3.819 1.191 ( 1.941 2.168 3.825) 4.806 1.305 ( -4.278 -0.348 0.374) 4.309 1.334 ( 3.004 8.465 9.988) 13.432 1.572 ( -2.804 2.250 0.842) 3.693 1.607 ( 3.097 -2.336 0.510) 3.913 1.671 ( 0.304 1.286 -1.724) 2.172 1.793 ( 1.278 -1.549 -0.193) 2.017 1.834 ( 0.599 3.650 -1.215) 3.894 1.975 ( -0.461 4.239 0.318) 4.276 2.098 ( 1.630 0.904 0.705) 1.993 2.116 ( -1.330 0.415 -3.804) 4.051 2.232 ( -0.442 0.305 2.145) 2.212 2.338 ( 0.523 -1.114 -2.986) 3.230 2.358 ( -0.814 0.647 -5.826) 5.918 2.513 ( -1.216 -1.168 -3.246) 3.658 2.598 ( -2.326 -0.352 0.374) 2.382 2.702 ( 1.482 -1.899 -1.245) 2.712 2.943 ( 0.452 -6.327 3.636) 7.312 3.076 ( -5.052 -6.575 -0.609) 8.314 3.108 ( 0.475 -6.859 2.599) 7.350 3.249 ( -0.430 -5.368 0.158) 5.388 3.404 ( 1.521 1.842 -0.511) 2.443 3.421 ( -0.176 -1.676 2.118) 2.706 3.631 ( 0.633 -0.186 0.079) 0.665 3.671 ( 2.075 -3.685 0.930) 4.330 4.169 ( -2.194 2.679 3.219) 4.728 4.232 ( 2.330 0.772 0.149) 2.459 4.445 ( 0.687 2.291 -3.017) 3.850 4.555 ( 2.228 -2.821 1.353) 3.841 4.689 ( -8.151 -0.572 -2.097) 8.436 4.866 ( -1.240 0.123 -1.784) 2.176 5.143 ( 7.201 -2.484 -3.496) 8.381 5.255 ( 5.423 1.495 -2.101) 6.005 5.304 ( -0.118 1.183 1.210) 1.696 5.469 ( -2.551 -4.117 3.286) 5.853 5.623 ( -0.555 -0.881 -3.449) 3.603 5.860 ( 0.938 -1.287 0.134) 1.598 5.894 ( -2.510 5.609 5.491) 8.241 6.381 ( -1.896 7.549 -4.037) 8.768 6.556 ( 4.359 -3.942 1.369) 6.034 6.670 ( -0.219 -3.797 -0.171) 3.808 8.159 ( -0.349 1.490 0.625) 1.653 8.220 ( -0.047 -0.030 -0.182) 0.190 8.769 ( 0.086 2.252 1.776) 2.870 9.029 ( 0.123 -2.809 -1.549) 3.210 9.850 ( -0.383 0.722 -0.094) 0.822 9.890 ( 0.991 -0.332 -0.365) 1.107 9.989 ( -0.221 1.175 -1.158) 1.665 10.062 ( -0.054 -0.703 -0.503) 0.866 ======================= Grid point 77 (35/100) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 10.202 2.024 2.749) 10.758 0.765 ( 9.166 7.419 -2.865) 12.135 0.926 ( -3.194 -0.556 -1.905) 3.760 1.004 ( -4.672 2.140 0.300) 5.147 1.103 ( 1.465 -2.046 -0.604) 2.588 1.158 ( -4.605 0.351 1.678) 4.913 1.212 ( -4.671 -1.416 -0.392) 4.896 1.382 ( -2.150 0.372 3.835) 4.412 1.538 ( 4.369 4.938 5.145) 8.363 1.630 ( -0.280 2.883 -0.529) 2.945 1.712 ( 1.360 0.503 -2.608) 2.984 1.840 ( 1.954 -3.722 1.152) 4.359 1.861 ( 1.754 4.131 0.813) 4.561 1.939 ( -2.559 5.519 -0.912) 6.151 2.054 ( -1.319 -2.127 -2.766) 3.730 2.113 ( -4.422 4.089 3.022) 6.739 2.211 ( 0.207 -1.196 -1.207) 1.711 2.348 ( 1.142 1.053 -2.224) 2.713 2.365 ( 1.016 0.584 -3.411) 3.607 2.526 ( 1.527 0.269 -4.803) 5.047 2.571 ( 0.286 1.247 2.712) 2.999 2.754 ( 3.921 -2.881 -1.694) 5.152 2.934 ( -1.429 -4.960 2.937) 5.939 2.962 ( -6.337 -7.339 -0.582) 9.714 3.106 ( -1.309 -2.873 3.087) 4.416 3.221 ( -1.603 -8.413 -0.010) 8.565 3.394 ( -2.220 0.877 2.260) 3.287 3.460 ( 3.502 2.741 -1.154) 4.595 3.646 ( 0.910 0.063 1.013) 1.363 3.703 ( 1.100 -4.480 0.705) 4.666 4.121 ( -2.478 2.881 1.870) 4.235 4.300 ( 4.198 -0.905 -1.280) 4.481 4.451 ( 0.118 0.018 -2.908) 2.911 4.550 ( -5.571 1.227 -1.203) 5.829 4.600 ( 1.867 -2.139 -0.289) 2.854 4.849 ( -0.956 -1.627 -0.211) 1.899 5.243 ( 2.339 -2.885 -3.382) 5.024 5.304 ( 0.733 1.532 2.575) 3.084 5.356 ( 5.093 -0.971 0.229) 5.190 5.404 ( -3.610 -2.361 3.968) 5.861 5.659 ( 3.467 -1.839 -2.246) 4.522 5.853 ( -1.811 7.905 4.397) 9.225 5.875 ( 0.424 -3.035 -1.853) 3.581 6.343 ( -1.511 7.544 -4.269) 8.799 6.590 ( -0.536 -6.265 0.801) 6.339 6.690 ( 1.978 -4.484 -2.178) 5.363 8.152 ( -0.402 1.436 0.758) 1.673 8.221 ( 0.120 0.071 -0.356) 0.383 8.770 ( -0.062 2.316 1.829) 2.952 9.029 ( -0.075 -2.707 -1.545) 3.118 9.847 ( 0.052 0.624 0.093) 0.633 9.904 ( 0.478 -0.718 -0.582) 1.041 9.980 ( -0.497 1.439 -0.327) 1.557 10.067 ( 0.522 -1.004 -0.855) 1.419 ======================= Grid point 78 (36/100) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 1.803 1.100 -0.810) 2.262 0.868 ( -3.433 2.065 -0.241) 4.013 0.893 ( 2.177 1.123 -1.076) 2.675 0.982 ( 6.444 3.876 3.627) 8.349 1.066 ( -2.515 2.020 0.691) 3.299 1.135 ( 0.425 -3.954 -1.111) 4.129 1.161 ( -0.050 -1.321 0.647) 1.472 1.337 ( -0.097 -4.609 -0.433) 4.630 1.577 ( -5.126 1.576 0.899) 5.437 1.657 ( 3.958 5.608 4.349) 8.126 1.723 ( 0.758 1.544 -2.638) 3.149 1.816 ( -3.270 4.099 1.535) 5.463 1.864 ( -1.375 3.551 -3.193) 4.969 1.943 ( 2.585 1.884 0.878) 3.318 1.998 ( -5.013 4.469 1.865) 6.970 2.038 ( -1.769 -1.907 -3.016) 3.983 2.254 ( 3.670 -1.838 1.262) 4.294 2.376 ( 1.242 0.070 -1.421) 1.889 2.383 ( 1.203 0.998 -2.820) 3.224 2.525 ( -0.181 -0.838 -4.202) 4.289 2.627 ( 3.411 3.335 2.813) 5.538 2.825 ( 0.781 -3.586 -0.915) 3.782 2.866 ( -0.576 -4.587 1.145) 4.763 2.896 ( -2.734 -4.458 0.762) 5.285 3.066 ( -2.150 -2.602 2.431) 4.159 3.208 ( -0.072 -9.037 -0.325) 9.043 3.354 ( -1.604 1.145 0.214) 1.983 3.514 ( 1.760 2.131 1.087) 2.970 3.662 ( 0.571 -0.056 1.194) 1.325 3.707 ( -0.631 -4.761 0.214) 4.807 4.088 ( -0.891 3.095 -0.344) 3.239 4.360 ( 1.581 -0.222 1.026) 1.898 4.409 ( -4.312 2.331 -3.670) 6.124 4.523 ( 2.444 -1.984 -0.974) 3.295 4.631 ( 1.863 -2.099 -0.583) 2.866 4.832 ( -0.683 -2.437 -0.745) 2.638 5.235 ( -2.582 -1.584 -0.889) 3.157 5.297 ( -2.448 2.031 -0.550) 3.228 5.358 ( 1.197 -1.191 1.905) 2.545 5.471 ( 4.879 -5.933 5.561) 9.483 5.704 ( 0.813 -0.636 -0.070) 1.034 5.811 ( -2.701 4.104 1.679) 5.192 5.890 ( 1.279 1.125 -2.514) 3.037 6.334 ( 0.811 7.283 -3.821) 8.264 6.577 ( -0.254 -5.553 0.710) 5.604 6.709 ( -0.089 -5.400 -2.966) 6.162 8.147 ( -0.131 1.342 0.715) 1.526 8.223 ( 0.132 0.165 -0.335) 0.396 8.768 ( -0.165 2.316 1.787) 2.929 9.026 ( -0.142 -2.710 -1.612) 3.157 9.848 ( 0.006 0.537 0.177) 0.565 9.909 ( 0.025 -0.772 -0.751) 1.077 9.973 ( -0.212 1.686 0.027) 1.700 10.077 ( 0.491 -1.479 -0.815) 1.758 ======================= Grid point 79 (37/100) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -6.900 6.284 -3.820) 10.084 0.772 ( -4.368 5.479 6.010) 9.231 0.971 ( 2.796 -1.929 -0.342) 3.414 1.068 ( 3.010 1.532 1.058) 3.539 1.092 ( 1.723 -1.438 -0.457) 2.291 1.152 ( 3.602 -2.196 -2.096) 4.710 1.200 ( 2.755 -1.053 2.117) 3.631 1.336 ( -5.088 -1.715 4.885) 7.259 1.499 ( 0.953 1.583 1.708) 2.516 1.628 ( -4.092 6.153 -0.883) 7.442 1.733 ( -1.669 2.597 -2.241) 3.815 1.788 ( -0.388 0.581 -1.153) 1.348 1.854 ( 2.440 3.435 1.366) 4.429 1.944 ( -0.588 4.192 -0.702) 4.290 1.979 ( -2.759 3.732 -0.078) 4.641 2.020 ( 2.946 -2.365 -2.789) 4.696 2.305 ( 0.908 -0.034 0.642) 1.113 2.379 ( -0.794 1.757 -1.989) 2.770 2.437 ( 5.001 -4.856 -1.031) 7.047 2.524 ( -0.559 -0.069 -2.146) 2.219 2.649 ( -0.758 -0.645 1.979) 2.215 2.785 ( -2.893 -0.126 -0.685) 2.975 2.861 ( -0.028 -4.555 0.390) 4.572 2.929 ( 3.973 -3.172 1.138) 5.210 3.055 ( 1.078 -3.917 1.066) 4.200 3.214 ( 0.914 -7.699 -0.205) 7.756 3.345 ( 0.676 -0.483 -1.109) 1.385 3.515 ( -1.845 0.205 3.080) 3.596 3.660 ( -1.080 -1.306 0.380) 1.737 3.685 ( -1.530 -3.639 0.512) 3.981 4.089 ( 0.977 4.185 -0.824) 4.376 4.316 ( -4.185 2.037 -2.888) 5.478 4.379 ( 0.185 1.307 0.804) 1.546 4.588 ( 3.683 -3.104 0.157) 4.819 4.675 ( 2.675 -1.625 0.129) 3.133 4.831 ( 0.782 -2.207 -2.216) 3.224 5.152 ( -5.273 0.722 -1.684) 5.582 5.273 ( -0.301 1.570 0.364) 1.639 5.384 ( 0.400 -1.945 -1.178) 2.309 5.513 ( -1.022 -8.189 6.674) 10.613 5.706 ( 0.094 0.396 1.646) 1.695 5.769 ( -0.989 4.117 -2.787) 5.069 5.913 ( 1.019 2.263 0.741) 2.590 6.359 ( 1.417 7.137 -3.048) 7.889 6.589 ( 1.241 -6.294 0.579) 6.441 6.681 ( -2.715 -3.447 -2.232) 4.923 8.148 ( 0.230 1.341 0.587) 1.482 8.225 ( 0.120 0.134 -0.216) 0.281 8.766 ( -0.151 2.274 1.696) 2.841 9.023 ( -0.061 -2.791 -1.687) 3.262 9.848 ( -0.014 0.596 0.105) 0.605 9.904 ( -0.532 -0.520 -0.642) 0.982 9.973 ( 0.193 1.722 -0.253) 1.752 10.083 ( 0.177 -1.811 -0.642) 1.929 ======================= Grid point 80 (38/100) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -6.554 9.239 -4.150) 12.063 0.730 ( -1.078 7.542 6.650) 10.112 1.008 ( 1.487 -1.422 -1.008) 2.291 1.076 ( -0.654 -4.450 -3.437) 5.661 1.124 ( -6.756 1.245 4.373) 8.144 1.151 ( 0.760 1.586 2.155) 2.782 1.234 ( 3.477 3.013 3.908) 6.037 1.296 ( 3.307 1.937 4.858) 6.188 1.495 ( -3.821 5.428 -1.615) 6.831 1.611 ( 2.737 -0.414 0.162) 2.773 1.730 ( 1.319 2.137 -0.193) 2.519 1.780 ( -0.012 0.259 -1.553) 1.574 1.898 ( -3.182 3.682 -1.496) 5.091 1.925 ( 3.184 2.213 1.553) 4.176 1.958 ( 0.774 1.645 -2.344) 2.966 2.073 ( 2.490 -2.152 -2.260) 3.993 2.300 ( -1.084 0.565 -1.965) 2.314 2.357 ( -1.405 0.173 -1.240) 1.881 2.476 ( -3.661 2.030 -2.696) 4.979 2.540 ( 4.226 -5.042 -1.367) 6.719 2.632 ( -1.103 -2.462 1.285) 2.989 2.736 ( -1.726 -0.354 -1.264) 2.168 2.875 ( 1.125 -6.363 4.232) 7.724 3.012 ( 4.997 -2.933 -0.792) 5.848 3.084 ( 1.427 -5.299 -0.531) 5.514 3.242 ( 1.459 -5.983 1.527) 6.345 3.371 ( 1.826 -2.405 -0.868) 3.142 3.461 ( -3.316 -1.066 2.746) 4.435 3.627 ( -1.688 -2.123 -0.692) 2.799 3.657 ( -1.374 -2.353 0.790) 2.837 4.126 ( 3.063 4.755 1.258) 5.794 4.249 ( -2.965 2.703 -1.312) 4.221 4.391 ( 1.254 1.994 -1.144) 2.619 4.616 ( -1.771 -3.030 3.669) 5.077 4.732 ( 3.387 -0.703 -0.559) 3.504 4.870 ( 3.833 -1.396 -3.423) 5.326 5.068 ( -3.116 0.601 -4.620) 5.605 5.254 ( -3.500 -2.006 -2.651) 4.827 5.334 ( -4.000 0.435 0.142) 4.026 5.496 ( 0.142 -6.458 3.495) 7.344 5.696 ( -1.235 1.051 0.825) 1.819 5.790 ( 2.516 1.040 -1.176) 2.966 5.931 ( 0.892 3.189 4.008) 5.199 6.375 ( 0.528 7.168 -2.762) 7.700 6.571 ( -4.293 -1.547 1.355) 4.760 6.654 ( 1.041 -4.072 -0.635) 4.250 8.155 ( 0.432 1.384 0.455) 1.519 8.226 ( -0.052 -0.014 -0.049) 0.073 8.765 ( -0.016 2.233 1.637) 2.769 9.023 ( 0.101 -2.862 -1.689) 3.324 9.851 ( 0.423 0.680 -0.061) 0.804 9.888 ( -1.032 -0.071 -0.452) 1.129 9.979 ( 0.440 1.597 -0.874) 1.873 10.082 ( -0.370 -1.807 -0.486) 1.908 ======================= Grid point 81 (39/100) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -1.869 5.287 -5.425) 7.802 0.825 ( -0.572 4.871 2.233) 5.389 0.932 ( 1.085 -5.280 -1.667) 5.642 1.040 ( -2.143 -1.537 2.334) 3.522 1.107 ( 3.668 2.890 -0.887) 4.753 1.171 ( 0.350 -0.143 3.201) 3.223 1.333 ( 1.398 1.476 2.630) 3.324 1.462 ( 1.006 4.039 2.806) 5.020 1.564 ( 0.337 5.127 -3.541) 6.241 1.651 ( -0.777 0.481 0.558) 1.071 1.701 ( -1.585 -0.689 -1.781) 2.482 1.763 ( -1.266 -2.623 -1.955) 3.507 1.912 ( -0.610 2.896 -5.156) 5.946 1.992 ( 2.829 -1.532 -4.742) 5.730 2.039 ( 1.635 4.086 1.448) 4.633 2.131 ( 0.453 -0.925 0.388) 1.100 2.259 ( 0.956 2.085 0.774) 2.421 2.342 ( -1.449 2.900 -4.585) 5.615 2.420 ( -1.327 -2.393 -2.713) 3.853 2.538 ( -0.413 0.029 0.230) 0.474 2.595 ( 1.171 -0.445 4.365) 4.541 2.658 ( -2.309 -1.325 0.325) 2.682 2.785 ( 1.483 -5.128 3.637) 6.460 2.929 ( -0.913 -7.961 0.088) 8.014 3.060 ( -0.935 -1.094 -0.474) 1.515 3.147 ( 0.185 -4.804 0.816) 4.876 3.351 ( 2.404 -1.885 0.987) 3.210 3.366 ( 0.617 -2.638 1.030) 2.898 3.602 ( 0.764 -0.219 0.126) 0.805 3.617 ( -0.212 -0.768 -0.134) 0.808 4.220 ( 1.094 1.915 0.307) 2.227 4.264 ( -1.768 1.358 2.995) 3.733 4.496 ( -2.951 2.492 -1.677) 4.211 4.585 ( -0.120 5.168 -1.453) 5.369 4.702 ( -0.712 -5.170 0.110) 5.220 4.873 ( 0.074 -5.818 -5.894) 8.282 5.019 ( 3.224 4.523 -3.860) 6.764 5.193 ( 2.674 -1.846 -4.877) 5.860 5.360 ( -0.926 2.237 1.537) 2.868 5.406 ( -0.577 -2.454 1.843) 3.123 5.667 ( -2.551 0.483 0.501) 2.645 5.761 ( 0.235 -4.039 2.602) 4.811 6.088 ( 0.149 9.068 3.782) 9.827 6.439 ( 0.264 -4.878 1.454) 5.097 6.540 ( -0.640 2.963 -2.597) 3.991 6.608 ( -0.138 -0.697 -0.565) 0.908 8.187 ( 0.191 1.082 -0.536) 1.223 8.217 ( -0.136 -0.461 -0.440) 0.651 8.821 ( 0.129 3.173 1.147) 3.376 8.961 ( 0.204 -3.446 -0.751) 3.532 9.869 ( -0.054 0.351 -0.127) 0.377 9.876 ( 0.005 0.005 -0.225) 0.225 10.009 ( 0.118 0.960 -1.145) 1.499 10.048 ( -0.180 -1.015 -0.783) 1.295 ======================= Grid point 82 (40/100) ======================= q-point: ( 0.17 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 1.916 7.023 -3.244) 7.970 0.826 ( 1.364 5.703 0.024) 5.864 0.940 ( -0.493 -1.999 0.051) 2.059 1.030 ( 1.310 -1.364 0.111) 1.894 1.108 ( -2.283 1.721 -2.762) 3.975 1.218 ( 1.903 0.419 3.281) 3.816 1.290 ( -5.257 1.047 0.275) 5.367 1.452 ( -3.227 -0.231 3.534) 4.791 1.586 ( 0.573 3.204 1.485) 3.578 1.649 ( 2.956 1.556 -0.538) 3.383 1.689 ( 1.151 1.032 -1.157) 1.931 1.744 ( -0.778 -1.527 -2.649) 3.155 1.902 ( -0.170 2.025 -5.439) 5.806 2.007 ( -1.738 -2.309 -1.383) 3.204 2.094 ( 3.377 0.475 1.310) 3.653 2.129 ( 0.347 0.746 -2.037) 2.197 2.283 ( 0.091 3.543 -0.046) 3.544 2.359 ( 3.497 5.417 0.129) 6.449 2.396 ( -0.751 1.500 -4.770) 5.056 2.494 ( -3.040 -0.368 -1.811) 3.557 2.615 ( -0.167 1.771 2.892) 3.395 2.645 ( 1.830 -3.924 1.724) 4.660 2.816 ( 1.156 -5.848 3.322) 6.825 2.884 ( -4.072 -10.418 -0.082) 11.186 3.028 ( -1.048 -1.289 0.067) 1.662 3.139 ( -1.444 -5.480 -0.043) 5.667 3.402 ( 2.460 -0.230 2.533) 3.538 3.421 ( 4.405 -0.202 0.943) 4.509 3.617 ( 0.551 -0.858 0.809) 1.302 3.625 ( 1.090 -0.989 0.182) 1.484 4.215 ( -2.339 1.945 1.103) 3.236 4.249 ( 0.566 0.545 0.358) 0.863 4.440 ( -1.856 -0.992 -2.512) 3.277 4.529 ( -3.939 -2.855 -2.183) 5.332 4.679 ( -1.927 2.502 -2.554) 4.061 4.843 ( -1.914 -2.481 -3.596) 4.770 5.145 ( 7.251 2.546 -2.214) 7.998 5.272 ( 4.891 -0.700 -2.100) 5.369 5.344 ( -0.764 1.934 2.378) 3.158 5.396 ( -0.593 -2.418 2.129) 3.276 5.623 ( -1.331 1.095 -1.220) 2.112 5.768 ( 0.504 -5.146 1.642) 5.425 6.076 ( -1.321 9.841 3.588) 10.557 6.446 ( 0.209 -6.584 1.635) 6.787 6.509 ( -2.141 4.150 -3.472) 5.819 6.611 ( 0.358 -1.835 -0.924) 2.085 8.186 ( -0.217 1.144 -0.366) 1.221 8.216 ( 0.008 -0.364 -0.566) 0.673 8.825 ( 0.133 3.174 1.240) 3.410 8.965 ( 0.170 -3.453 -0.658) 3.520 9.862 ( -0.325 0.560 -0.102) 0.655 9.883 ( 0.393 -0.443 -0.320) 0.673 10.009 ( -0.080 0.939 -1.028) 1.394 10.046 ( -0.005 -0.857 -0.874) 1.224 ======================= Grid point 83 (41/100) ======================= q-point: ( 0.33 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 5.637 5.587 -1.661) 8.109 0.867 ( 1.693 1.068 -3.083) 3.675 0.954 ( 3.325 3.812 0.925) 5.142 1.049 ( -1.991 1.411 -4.000) 4.685 1.066 ( 0.216 -1.091 -0.950) 1.463 1.182 ( -5.205 3.567 2.859) 6.928 1.196 ( -3.673 -1.462 -1.725) 4.313 1.340 ( -7.155 -2.877 0.890) 7.763 1.638 ( 2.573 3.999 4.969) 6.878 1.665 ( 1.282 -0.219 -1.503) 1.988 1.726 ( -0.898 -1.603 -2.238) 2.895 1.779 ( 5.132 -0.596 1.714) 5.443 1.905 ( 0.816 0.274 -5.993) 6.055 1.980 ( -0.143 0.888 0.670) 1.122 2.093 ( -2.888 4.558 0.464) 5.416 2.165 ( 2.384 -1.948 -1.069) 3.259 2.245 ( -4.271 7.244 0.712) 8.440 2.376 ( -0.755 1.840 -3.935) 4.410 2.426 ( 2.516 4.661 -1.421) 5.484 2.486 ( 1.574 -3.162 -4.111) 5.420 2.627 ( 2.541 1.661 4.048) 5.060 2.690 ( 2.523 -3.125 0.989) 4.137 2.779 ( -4.780 -8.462 1.090) 9.780 2.837 ( -0.806 -5.003 2.589) 5.691 3.028 ( 0.668 -3.214 -0.274) 3.294 3.094 ( -2.963 -4.852 -0.486) 5.706 3.429 ( -0.081 2.328 3.572) 4.264 3.499 ( 3.305 0.473 1.513) 3.665 3.625 ( 0.332 -1.171 0.790) 1.451 3.651 ( 1.421 -1.053 0.391) 1.811 4.168 ( -2.302 1.701 0.223) 2.871 4.263 ( 1.561 -2.932 -2.444) 4.124 4.426 ( 0.139 -1.233 -2.635) 2.912 4.491 ( -0.556 -4.301 -1.178) 4.494 4.631 ( -2.439 3.856 -3.551) 5.782 4.800 ( -2.506 -3.233 -2.745) 4.926 5.244 ( 3.153 2.166 0.267) 3.834 5.334 ( -0.312 0.504 4.529) 4.567 5.345 ( 2.634 -0.193 0.914) 2.794 5.374 ( -2.029 -0.634 1.660) 2.697 5.642 ( 3.089 0.585 -2.208) 3.842 5.780 ( 0.574 -4.917 -1.040) 5.059 6.052 ( -1.113 10.325 2.826) 10.763 6.443 ( -0.557 -8.205 1.856) 8.431 6.470 ( -1.477 5.128 -4.132) 6.749 6.618 ( 0.407 -3.066 -1.618) 3.491 8.180 ( -0.358 1.316 -0.204) 1.379 8.217 ( 0.119 -0.443 -0.692) 0.830 8.826 ( -0.026 3.182 1.284) 3.431 8.966 ( -0.034 -3.421 -0.636) 3.480 9.859 ( -0.063 0.568 -0.037) 0.573 9.888 ( 0.182 -0.854 -0.486) 0.999 10.006 ( -0.156 1.150 -0.807) 1.413 10.047 ( 0.170 -0.962 -0.955) 1.366 ======================= Grid point 84 (42/100) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 3.720 2.323 -2.583) 5.090 0.874 ( -0.417 0.830 -1.241) 1.550 0.981 ( -3.976 3.707 -3.913) 6.698 1.039 ( 2.328 1.122 -0.753) 2.691 1.073 ( -1.168 -1.217 -2.220) 2.788 1.117 ( 0.696 2.359 2.857) 3.770 1.157 ( 1.476 0.761 -0.496) 1.733 1.238 ( -2.434 -4.453 -1.162) 5.206 1.613 ( -3.289 2.435 0.911) 4.192 1.702 ( 0.359 -0.594 -1.782) 1.912 1.742 ( 2.475 -0.629 2.483) 3.562 1.829 ( -0.102 -2.518 1.685) 3.032 1.932 ( 1.499 2.642 -4.197) 5.180 1.992 ( -0.028 4.212 -2.450) 4.873 2.041 ( -0.587 4.810 3.315) 5.871 2.150 ( -4.932 6.612 -1.384) 8.363 2.204 ( 2.147 -3.105 0.321) 3.789 2.349 ( -2.702 -2.078 -4.206) 5.413 2.454 ( 1.041 4.236 -2.676) 5.118 2.513 ( 1.814 -0.278 -3.250) 3.733 2.686 ( -2.900 -0.617 1.876) 3.509 2.731 ( 4.114 -5.071 3.944) 7.628 2.738 ( 2.185 -3.366 1.892) 4.436 2.811 ( -1.067 -3.680 1.816) 4.241 3.032 ( -1.037 -2.032 0.549) 2.346 3.056 ( 0.205 -5.212 -1.637) 5.467 3.402 ( -2.471 3.150 1.732) 4.362 3.524 ( -1.149 -1.773 3.029) 3.693 3.633 ( 0.464 -0.359 -0.258) 0.641 3.669 ( 0.318 -0.674 1.008) 1.254 4.147 ( 0.410 2.747 -0.973) 2.943 4.312 ( 3.019 -4.832 -0.719) 5.743 4.432 ( -0.052 0.520 -2.233) 2.293 4.473 ( -0.756 -1.911 -2.499) 3.235 4.609 ( 0.437 0.966 -2.713) 2.913 4.763 ( -0.831 -4.082 -3.241) 5.278 5.257 ( -2.204 2.543 0.838) 3.467 5.319 ( -1.401 -0.920 3.995) 4.333 5.350 ( 0.400 1.020 0.828) 1.373 5.389 ( 1.821 -2.124 4.208) 5.053 5.694 ( 1.611 0.087 -1.035) 1.917 5.781 ( -0.435 -3.400 -3.164) 4.664 6.043 ( 0.093 10.026 2.245) 10.275 6.434 ( -0.269 -8.286 1.302) 8.392 6.461 ( 0.604 5.246 -3.527) 6.350 6.625 ( 0.384 -3.517 -1.720) 3.934 8.175 ( -0.139 1.407 -0.221) 1.431 8.219 ( 0.092 -0.574 -0.687) 0.899 8.825 ( -0.169 3.182 1.235) 3.418 8.964 ( -0.175 -3.390 -0.710) 3.468 9.859 ( 0.009 0.531 -0.002) 0.531 9.890 ( 0.076 -0.991 -0.538) 1.130 10.004 ( -0.063 1.333 -0.732) 1.522 10.050 ( 0.172 -1.164 -0.927) 1.498 ======================= Grid point 85 (43/100) ======================= q-point: (-0.33 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -4.232 2.783 -4.454) 6.745 0.845 ( -2.241 1.877 3.042) 4.218 0.949 ( 0.714 0.131 -2.561) 2.662 0.999 ( -3.776 -5.418 -2.800) 7.173 1.082 ( 2.603 0.799 -1.097) 2.936 1.172 ( 3.884 2.422 -0.311) 4.588 1.221 ( 0.038 -0.851 -2.651) 2.784 1.280 ( 7.581 -0.547 3.802) 8.498 1.564 ( -0.807 4.658 2.740) 5.464 1.687 ( -2.153 1.218 -2.147) 3.276 1.769 ( 0.369 -1.715 -0.822) 1.937 1.800 ( -2.457 -1.125 1.043) 2.896 1.911 ( -1.604 4.614 -3.535) 6.030 2.012 ( 1.284 2.465 -0.557) 2.834 2.050 ( -0.343 5.692 -1.534) 5.905 2.078 ( -2.078 4.428 -0.813) 4.959 2.249 ( 1.598 -4.430 1.151) 4.849 2.321 ( 1.963 -5.949 -3.121) 6.998 2.454 ( -1.404 4.970 -2.831) 5.890 2.546 ( 1.383 0.866 -1.872) 2.483 2.619 ( -3.367 -2.324 2.499) 4.794 2.727 ( -2.404 -4.571 0.562) 5.195 2.767 ( 0.656 -2.493 3.976) 4.738 2.875 ( 4.638 -3.218 2.229) 6.070 3.022 ( 0.349 -0.230 -0.477) 0.634 3.084 ( 2.502 -4.684 -0.742) 5.362 3.355 ( -2.146 1.323 -0.304) 2.540 3.469 ( -4.138 -3.909 2.483) 6.210 3.629 ( -1.068 0.021 0.123) 1.075 3.660 ( -1.292 -0.808 1.155) 1.912 4.176 ( 2.131 4.345 0.369) 4.853 4.327 ( -1.654 -1.438 -0.375) 2.223 4.428 ( 1.136 3.223 -3.812) 5.120 4.507 ( 3.959 -3.388 -0.184) 5.214 4.641 ( 2.717 -0.941 -0.913) 3.016 4.768 ( 1.341 -4.022 -4.294) 6.034 5.181 ( -5.083 1.769 -1.814) 5.679 5.281 ( -3.340 -2.034 0.193) 3.915 5.372 ( 1.239 0.643 1.501) 2.049 5.406 ( -0.102 -1.775 4.699) 5.024 5.707 ( 0.311 0.086 1.222) 1.264 5.766 ( -0.921 -2.230 -2.874) 3.752 6.053 ( 0.766 9.441 2.527) 9.803 6.435 ( 0.174 -7.726 1.527) 7.877 6.488 ( 2.203 4.490 -3.225) 5.951 6.628 ( -0.101 -2.325 -1.238) 2.636 8.175 ( 0.196 1.361 -0.360) 1.421 8.220 ( 0.039 -0.651 -0.600) 0.887 8.822 ( -0.167 3.176 1.145) 3.380 8.960 ( -0.130 -3.393 -0.807) 3.490 9.859 ( 0.095 0.588 -0.031) 0.597 9.890 ( -0.142 -0.838 -0.429) 0.952 10.004 ( 0.092 1.333 -0.835) 1.576 10.052 ( 0.053 -1.293 -0.847) 1.546 ======================= Grid point 86 (44/100) ======================= q-point: (-0.17 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -4.623 3.630 -5.363) 7.957 0.826 ( 0.027 2.561 3.747) 4.539 0.931 ( -1.262 -5.998 -3.640) 7.129 1.008 ( 3.637 -1.246 1.322) 4.065 1.105 ( -1.147 -0.023 -1.679) 2.033 1.182 ( -1.583 -0.404 2.420) 2.920 1.267 ( 4.500 3.363 -0.630) 5.653 1.404 ( 4.901 3.495 4.289) 7.391 1.591 ( 1.249 3.177 0.587) 3.464 1.630 ( -1.817 3.284 -1.904) 4.209 1.750 ( -2.536 -0.064 -1.088) 2.760 1.775 ( 0.176 -2.260 -1.834) 2.916 1.909 ( 1.002 0.805 -5.125) 5.284 1.984 ( -2.038 3.434 -2.550) 4.737 2.033 ( -1.155 4.511 -1.719) 4.964 2.094 ( 2.696 1.995 1.316) 3.602 2.260 ( -0.135 -2.878 1.207) 3.123 2.383 ( 0.047 -1.683 -5.524) 5.775 2.419 ( 0.453 -1.606 0.271) 1.691 2.536 ( -1.387 0.823 -1.094) 1.949 2.590 ( -0.088 -0.757 3.073) 3.166 2.694 ( -1.452 -2.398 0.391) 2.830 2.771 ( -0.021 -3.188 4.385) 5.422 2.928 ( 1.125 -5.621 0.886) 5.801 3.043 ( 1.729 0.577 -1.599) 2.425 3.133 ( 1.878 -4.536 1.121) 5.035 3.331 ( -0.230 -1.252 -0.590) 1.403 3.394 ( -3.325 -4.238 1.873) 5.703 3.604 ( -1.082 0.088 -0.101) 1.090 3.632 ( -1.357 -0.961 0.532) 1.746 4.204 ( 0.757 3.316 1.154) 3.592 4.293 ( -1.563 0.686 1.041) 2.000 4.482 ( 4.010 6.559 -5.504) 9.454 4.569 ( 1.510 -0.874 3.944) 4.313 4.690 ( 1.991 -3.045 0.093) 3.640 4.813 ( 3.856 -4.647 -5.731) 8.325 5.078 ( -5.745 1.247 -4.857) 7.626 5.202 ( -3.570 -3.199 -3.474) 5.920 5.376 ( -0.705 2.221 1.782) 2.933 5.409 ( 0.274 -1.730 2.514) 3.065 5.703 ( -1.133 0.057 1.736) 2.074 5.756 ( 0.110 -2.721 0.435) 2.757 6.072 ( 1.101 9.074 3.282) 9.712 6.437 ( 0.029 -5.672 1.426) 5.848 6.528 ( 1.775 2.623 -2.511) 4.043 6.619 ( -0.779 -0.532 -0.765) 1.215 8.181 ( 0.367 1.209 -0.506) 1.361 8.220 ( -0.059 -0.617 -0.486) 0.788 8.820 ( -0.028 3.174 1.100) 3.359 8.959 ( 0.044 -3.417 -0.827) 3.516 9.863 ( 0.329 0.556 -0.078) 0.651 9.884 ( -0.459 -0.390 -0.293) 0.670 10.006 ( 0.189 1.163 -1.027) 1.563 10.052 ( -0.117 -1.244 -0.784) 1.475 ======================= Grid point 87 (45/100) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.755 -6.304 -1.444) 6.511 0.760 ( 0.755 6.304 -1.444) 6.511 0.971 ( 0.718 -4.764 1.785) 5.138 0.971 ( 0.718 4.764 1.785) 5.138 1.157 ( 1.433 -1.366 1.992) 2.808 1.157 ( 1.433 1.366 1.992) 2.808 1.419 ( -0.380 -5.880 -2.381) 6.355 1.419 ( -0.380 5.880 -2.381) 6.355 1.642 ( -0.004 -2.064 -0.645) 2.162 1.642 ( -0.004 2.064 -0.645) 2.162 1.719 ( -0.636 -1.935 -1.787) 2.709 1.719 ( -0.636 1.935 -1.787) 2.709 1.962 ( -1.155 -2.035 -5.249) 5.747 1.962 ( -1.155 2.035 -5.249) 5.747 2.096 ( 0.789 -1.829 1.150) 2.300 2.096 ( 0.789 1.829 1.150) 2.300 2.326 ( 2.294 -4.682 -3.615) 6.345 2.326 ( 2.294 4.682 -3.615) 6.345 2.459 ( 0.425 -6.437 2.867) 7.059 2.459 ( 0.425 6.437 2.867) 7.059 2.637 ( 0.042 -2.999 2.575) 3.953 2.637 ( 0.042 2.999 2.575) 3.953 2.779 ( -2.546 -5.694 0.668) 6.273 2.779 ( -2.546 5.694 0.668) 6.273 3.072 ( -0.812 -2.319 0.419) 2.493 3.072 ( -0.812 2.319 0.419) 2.493 3.334 ( 2.430 -0.333 0.913) 2.617 3.334 ( 2.430 0.333 0.913) 2.617 3.605 ( 0.111 -0.416 -0.031) 0.432 3.605 ( 0.111 0.416 -0.031) 0.432 4.260 ( -0.321 -1.546 1.046) 1.894 4.260 ( -0.321 1.546 1.046) 1.894 4.563 ( -5.411 -4.659 -0.794) 7.184 4.563 ( -5.411 4.659 -0.794) 7.184 4.749 ( 3.441 -6.809 -3.588) 8.430 4.749 ( 3.441 6.809 -3.588) 8.430 5.116 ( 3.220 -4.876 -4.308) 7.260 5.116 ( 3.220 4.876 -4.308) 7.260 5.387 ( -0.953 -0.509 1.122) 1.557 5.387 ( -0.953 0.509 1.122) 1.557 5.694 ( -1.369 -2.381 2.121) 3.470 5.694 ( -1.369 2.381 2.121) 3.470 6.278 ( 0.313 -9.413 2.930) 9.864 6.278 ( 0.313 9.413 2.930) 9.864 6.593 ( -0.498 -1.593 -2.304) 2.845 6.593 ( -0.498 1.593 -2.304) 2.845 8.205 ( 0.069 -0.755 -0.761) 1.074 8.205 ( 0.069 0.755 -0.761) 1.074 8.890 ( 0.157 -3.543 0.223) 3.554 8.890 ( 0.157 3.543 0.223) 3.554 9.874 ( -0.031 -0.186 -0.156) 0.244 9.874 ( -0.031 0.186 -0.156) 0.244 10.028 ( -0.008 -0.958 -1.010) 1.392 10.028 ( -0.008 0.958 -1.010) 1.392 ======================= Grid point 89 (46/100) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 1.885 -6.230 -1.931) 6.789 0.787 ( 1.885 6.230 -1.931) 6.789 0.983 ( 1.073 -3.616 1.938) 4.240 0.983 ( 1.073 3.616 1.938) 4.240 1.170 ( -0.971 -3.825 -0.574) 3.988 1.170 ( -0.971 3.825 -0.574) 3.988 1.378 ( -3.639 -5.681 0.954) 6.814 1.378 ( -3.639 5.681 0.954) 6.814 1.636 ( 0.183 -1.714 -3.057) 3.509 1.636 ( 0.183 1.714 -3.057) 3.509 1.726 ( 0.688 -1.888 -0.194) 2.019 1.726 ( 0.688 1.888 -0.194) 2.019 1.942 ( -0.294 -2.919 -3.191) 4.335 1.942 ( -0.294 2.919 -3.191) 4.335 2.121 ( 1.551 -1.399 -0.130) 2.093 2.121 ( 1.551 1.399 -0.130) 2.093 2.364 ( 2.237 -3.773 -2.782) 5.194 2.364 ( 2.237 3.773 -2.782) 5.194 2.491 ( 1.602 -5.418 1.825) 5.938 2.491 ( 1.602 5.418 1.825) 5.938 2.607 ( -3.249 -4.036 1.126) 5.302 2.607 ( -3.249 4.036 1.126) 5.302 2.747 ( -0.168 -1.618 1.549) 2.246 2.747 ( -0.168 1.618 1.549) 2.246 3.048 ( -1.585 -3.089 -0.003) 3.472 3.048 ( -1.585 3.089 -0.003) 3.472 3.408 ( 4.601 -0.732 2.236) 5.168 3.408 ( 4.601 0.732 2.236) 5.168 3.612 ( 0.610 -0.289 0.249) 0.719 3.612 ( 0.610 0.289 0.249) 0.719 4.246 ( -1.677 -0.939 0.331) 1.950 4.246 ( -1.677 0.939 0.331) 1.950 4.455 ( -4.157 -2.715 -2.971) 5.785 4.455 ( -4.157 2.715 -2.971) 5.785 4.768 ( -1.198 -4.760 -3.141) 5.827 4.768 ( -1.198 4.760 -3.141) 5.827 5.216 ( 6.025 -3.904 -1.166) 7.274 5.216 ( 6.025 3.904 -1.166) 7.274 5.373 ( -0.618 -0.899 1.076) 1.532 5.373 ( -0.618 0.899 1.076) 1.532 5.673 ( -0.426 -3.855 0.817) 3.963 5.673 ( -0.426 3.855 0.817) 3.963 6.275 ( -0.700 -9.591 2.949) 10.059 6.275 ( -0.700 9.591 2.949) 10.059 6.575 ( -1.118 -2.237 -2.748) 3.716 6.575 ( -1.118 2.237 -2.748) 3.716 8.205 ( -0.053 -0.715 -0.716) 1.014 8.205 ( -0.053 0.715 -0.716) 1.014 8.893 ( 0.152 -3.559 0.313) 3.576 8.893 ( 0.152 3.559 0.313) 3.576 9.873 ( -0.077 -0.507 -0.196) 0.549 9.873 ( -0.077 0.507 -0.196) 0.549 10.028 ( -0.001 -0.913 -1.016) 1.366 10.028 ( -0.001 0.913 -1.016) 1.366 ======================= Grid point 91 (47/100) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 2.811 -4.105 -2.423) 5.534 0.829 ( 2.811 4.105 -2.423) 5.534 1.019 ( 2.341 -2.376 -0.185) 3.341 1.019 ( 2.341 2.376 -0.185) 3.341 1.126 ( -2.771 -4.600 -3.206) 6.255 1.126 ( -2.771 4.600 -3.206) 6.255 1.277 ( -6.721 -4.079 1.189) 7.951 1.277 ( -6.721 4.079 1.189) 7.951 1.661 ( 1.626 -1.335 -1.298) 2.472 1.661 ( 1.626 1.335 -1.298) 2.472 1.733 ( 0.514 -3.754 1.257) 3.992 1.733 ( 0.514 3.754 1.257) 3.992 1.960 ( 2.247 -3.432 -1.471) 4.358 1.960 ( 2.247 3.432 -1.471) 4.358 2.139 ( 0.111 -0.710 0.096) 0.725 2.139 ( 0.111 0.710 0.096) 0.725 2.397 ( -2.402 -4.310 -0.714) 4.986 2.397 ( -2.402 4.310 -0.714) 4.986 2.455 ( -0.668 -4.141 -6.974) 8.138 2.455 ( -0.668 4.141 -6.974) 8.138 2.608 ( 2.792 -2.747 5.323) 6.608 2.608 ( 2.792 2.747 5.323) 6.608 2.753 ( 0.076 -3.217 2.126) 3.857 2.753 ( 0.076 3.217 2.126) 3.857 3.018 ( -1.387 -2.143 -0.934) 2.718 3.018 ( -1.387 2.143 -0.934) 2.718 3.477 ( 1.850 -2.155 3.932) 4.851 3.477 ( 1.850 2.155 3.932) 4.851 3.629 ( 1.213 -1.063 -0.037) 1.613 3.629 ( 1.213 1.063 -0.037) 1.613 4.204 ( -1.645 -2.355 -1.484) 3.234 4.204 ( -1.645 2.355 -1.484) 3.234 4.429 ( 0.651 -1.593 -2.122) 2.732 4.429 ( 0.651 1.593 -2.122) 2.732 4.720 ( -3.139 -4.505 -3.695) 6.618 4.720 ( -3.139 4.505 -3.695) 6.618 5.298 ( 2.236 -2.756 3.290) 4.839 5.298 ( 2.236 2.756 3.290) 4.839 5.363 ( -0.485 -1.014 0.514) 1.235 5.363 ( -0.485 1.014 0.514) 1.235 5.688 ( 1.824 -3.789 -1.450) 4.448 5.688 ( 1.824 3.789 -1.450) 4.448 6.259 ( -0.934 -9.951 2.461) 10.293 6.259 ( -0.934 9.951 2.461) 10.293 6.555 ( -0.734 -3.429 -2.894) 4.547 6.555 ( -0.734 3.429 -2.894) 4.547 8.203 ( -0.108 -0.931 -0.678) 1.156 8.203 ( -0.108 0.931 -0.678) 1.156 8.895 ( -0.019 -3.551 0.344) 3.567 8.895 ( -0.019 3.551 0.344) 3.567 9.872 ( -0.040 -0.724 -0.248) 0.767 9.872 ( -0.040 0.724 -0.248) 0.767 10.028 ( 0.027 -0.994 -1.003) 1.413 10.028 ( 0.027 0.994 -1.003) 1.413 ======================= Grid point 93 (48/100) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.275 -1.482 -2.757) 3.380 0.875 ( 1.275 1.482 -2.757) 3.380 1.019 ( -3.929 -1.585 -3.209) 5.315 1.019 ( -3.929 1.585 -3.209) 5.315 1.109 ( 1.418 -2.808 -1.572) 3.516 1.109 ( 1.418 2.808 -1.572) 3.516 1.186 ( -0.519 -1.912 -0.297) 2.003 1.186 ( -0.519 1.912 -0.297) 2.003 1.673 ( 0.085 -2.935 -1.004) 3.103 1.673 ( 0.085 2.935 -1.004) 3.103 1.748 ( 0.316 -3.401 3.090) 4.606 1.748 ( 0.316 3.401 3.090) 4.606 2.012 ( 2.480 -2.790 -0.645) 3.788 2.012 ( 2.480 2.790 -0.645) 3.788 2.132 ( -0.188 -3.880 0.983) 4.007 2.132 ( -0.188 3.880 0.983) 4.007 2.278 ( -6.579 -5.439 -6.054) 10.466 2.278 ( -6.579 5.439 -6.054) 10.466 2.509 ( 3.242 -1.057 -4.091) 5.326 2.509 ( 3.242 1.057 -4.091) 5.326 2.646 ( -0.248 -2.174 5.368) 5.797 2.646 ( -0.248 2.174 5.368) 5.797 2.759 ( 1.450 -1.677 2.269) 3.172 2.759 ( 1.450 1.677 2.269) 3.172 3.004 ( 0.166 -0.511 -1.196) 1.311 3.004 ( 0.166 0.511 -1.196) 1.311 3.467 ( -2.711 -3.196 3.062) 5.190 3.467 ( -2.711 3.196 3.062) 5.190 3.650 ( 0.567 -1.212 0.410) 1.400 3.650 ( 0.567 1.212 0.410) 1.400 4.213 ( 2.523 -4.182 -0.648) 4.927 4.213 ( 2.523 4.182 -0.648) 4.927 4.444 ( 0.578 -0.888 -1.823) 2.109 4.444 ( 0.578 0.888 -1.823) 2.109 4.673 ( -1.150 -4.518 -4.370) 6.390 4.673 ( -1.150 4.518 -4.370) 6.390 5.298 ( -2.406 -1.253 3.573) 4.486 5.298 ( -2.406 1.253 3.573) 4.486 5.366 ( 1.075 -0.867 1.364) 1.941 5.366 ( 1.075 0.867 1.364) 1.941 5.719 ( 1.012 -2.421 -2.062) 3.337 5.719 ( 1.012 2.421 -2.062) 3.337 6.248 ( -0.273 -9.940 1.952) 10.133 6.248 ( -0.273 9.940 1.952) 10.133 6.553 ( 0.629 -3.907 -2.549) 4.707 6.553 ( 0.629 3.907 -2.549) 4.707 8.201 ( -0.049 -1.135 -0.685) 1.326 8.201 ( -0.049 1.135 -0.685) 1.326 8.893 ( -0.167 -3.525 0.284) 3.541 8.893 ( -0.167 3.525 0.284) 3.541 9.872 ( 0.044 -0.789 -0.256) 0.831 9.872 ( 0.044 0.789 -0.256) 0.831 10.028 ( 0.039 -1.107 -0.988) 1.484 10.028 ( 0.039 1.107 -0.988) 1.484 ======================= Grid point 95 (49/100) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -4.064 -2.149 -3.474) 5.762 0.849 ( -4.064 2.149 -3.474) 5.762 0.941 ( -1.805 -1.028 -0.599) 2.162 0.941 ( -1.805 1.028 -0.599) 2.162 1.133 ( 1.043 -3.917 -2.014) 4.526 1.133 ( 1.043 3.917 -2.014) 4.526 1.260 ( 6.259 -3.333 -0.897) 7.147 1.260 ( 6.259 3.333 -0.897) 7.147 1.677 ( 0.248 -5.897 0.383) 5.915 1.677 ( 0.248 5.897 0.383) 5.915 1.737 ( -1.107 -3.157 1.288) 3.585 1.737 ( -1.107 3.157 1.288) 3.585 2.019 ( -1.374 -3.371 -2.984) 4.707 2.019 ( -1.374 3.371 -2.984) 4.707 2.136 ( -2.017 -2.306 0.781) 3.162 2.136 ( -2.017 2.306 0.781) 3.162 2.206 ( 1.593 -4.364 -3.647) 5.906 2.206 ( 1.593 4.364 -3.647) 5.906 2.538 ( -0.887 -2.303 -2.781) 3.718 2.538 ( -0.887 2.303 -2.781) 3.718 2.617 ( -1.026 -4.421 2.119) 5.009 2.617 ( -1.026 4.421 2.119) 5.009 2.799 ( 1.584 -3.763 4.569) 6.128 2.799 ( 1.584 3.763 4.569) 6.128 3.028 ( 2.305 -1.110 -1.305) 2.872 3.028 ( 2.305 1.110 -1.305) 2.872 3.397 ( -4.234 -2.876 1.257) 5.271 3.397 ( -4.234 2.876 1.257) 5.271 3.642 ( -1.334 -0.905 0.731) 1.770 3.642 ( -1.334 0.905 0.731) 1.770 4.264 ( 1.638 -4.204 1.184) 4.664 4.264 ( 1.638 4.204 1.184) 4.664 4.471 ( 3.629 -0.952 -1.747) 4.138 4.471 ( 3.629 0.952 -1.747) 4.138 4.676 ( 1.145 -4.279 -4.391) 6.237 4.676 ( 1.145 4.279 -4.391) 6.237 5.224 ( -5.129 -2.687 -0.349) 5.801 5.224 ( -5.129 2.687 -0.349) 5.801 5.392 ( 1.158 -0.866 2.343) 2.753 5.392 ( 1.158 0.866 2.343) 2.753 5.723 ( -0.298 -1.642 -0.377) 1.711 5.723 ( -0.298 1.642 -0.377) 1.711 6.250 ( 0.482 -9.793 1.984) 10.004 6.250 ( 0.482 9.793 1.984) 10.004 6.573 ( 1.353 -3.403 -2.135) 4.240 6.573 ( 1.353 3.403 -2.135) 4.240 8.201 ( 0.078 -1.148 -0.731) 1.363 8.201 ( 0.078 1.148 -0.731) 1.363 8.890 ( -0.151 -3.511 0.192) 3.519 8.890 ( -0.151 3.511 0.192) 3.519 9.873 ( 0.082 -0.771 -0.212) 0.804 9.873 ( 0.082 0.771 -0.212) 0.804 10.028 ( 0.034 -1.149 -0.981) 1.511 10.028 ( 0.034 1.149 -0.981) 1.511 ======================= Grid point 97 (50/100) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -2.570 -3.934 -2.483) 5.315 0.775 ( -2.570 3.934 -2.483) 5.315 0.946 ( 1.474 -4.156 1.222) 4.576 0.946 ( 1.474 4.156 1.222) 4.576 1.143 ( 0.205 -2.675 -0.353) 2.706 1.143 ( 0.205 2.675 -0.353) 2.706 1.373 ( 5.062 -5.404 -1.630) 7.582 1.373 ( 5.062 5.404 -1.630) 7.582 1.659 ( -1.876 -2.899 1.002) 3.595 1.659 ( -1.876 2.899 1.002) 3.595 1.731 ( 0.028 -1.464 -1.573) 2.149 1.731 ( 0.028 1.464 -1.573) 2.149 1.986 ( -1.490 -3.835 -6.317) 7.538 1.986 ( -1.490 3.835 -6.317) 7.538 2.096 ( -1.033 -1.284 1.725) 2.385 2.096 ( -1.033 1.284 1.725) 2.385 2.271 ( 3.632 -4.542 -1.179) 5.934 2.271 ( 3.632 4.542 -1.179) 5.934 2.486 ( -2.992 -4.110 -0.784) 5.144 2.486 ( -2.992 4.110 -0.784) 5.144 2.626 ( 0.901 -3.724 1.813) 4.239 2.626 ( 0.901 3.724 1.813) 4.239 2.810 ( -0.550 -5.510 3.111) 6.351 2.810 ( -0.550 5.510 3.111) 6.351 3.068 ( 1.374 -1.943 -0.425) 2.417 3.068 ( 1.374 1.943 -0.425) 2.417 3.332 ( -2.142 -1.543 0.542) 2.695 3.332 ( -2.142 1.543 0.542) 2.695 3.614 ( -1.198 -0.773 0.262) 1.449 3.614 ( -1.198 0.773 0.262) 1.449 4.268 ( -0.537 -2.717 1.016) 2.950 4.268 ( -0.537 2.717 1.016) 2.950 4.573 ( 5.144 -1.506 1.415) 5.544 4.573 ( 5.144 1.506 1.415) 5.544 4.694 ( 1.042 -5.662 -5.460) 7.935 4.694 ( 1.042 5.662 -5.460) 7.935 5.128 ( -3.924 -3.507 -3.878) 6.537 5.128 ( -3.924 3.507 -3.878) 6.537 5.401 ( -0.292 -0.231 1.548) 1.592 5.401 ( -0.292 0.231 1.548) 1.592 5.713 ( -0.757 -1.233 1.712) 2.241 5.713 ( -0.757 1.233 1.712) 2.241 6.265 ( 0.849 -9.641 2.465) 9.987 6.265 ( 0.849 9.641 2.465) 9.987 6.592 ( 0.629 -2.367 -2.031) 3.181 6.592 ( 0.629 2.367 -2.031) 3.181 8.203 ( 0.141 -0.975 -0.768) 1.249 8.203 ( 0.141 0.975 -0.768) 1.249 8.888 ( 0.002 -3.520 0.162) 3.524 8.888 ( 0.002 3.520 0.162) 3.524 9.874 ( 0.043 -0.528 -0.165) 0.555 9.874 ( 0.043 0.528 -0.165) 0.555 10.029 ( 0.016 -1.080 -0.990) 1.465 10.029 ( 0.016 1.080 -0.990) 1.465 ======================= Grid point 117 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -8.731 0.000 12.251) 15.044 0.717 ( 2.111 0.000 14.765) 14.915 0.961 ( 1.174 0.000 -5.969) 6.083 1.087 ( 1.141 0.000 21.754) 21.784 1.155 ( -1.576 0.000 -5.662) 5.877 1.195 ( -2.240 0.000 2.930) 3.688 1.271 ( 0.776 0.000 3.512) 3.597 1.412 ( 1.136 0.000 2.855) 3.073 1.530 ( 6.764 0.000 -1.659) 6.964 1.626 ( -0.326 0.000 -2.576) 2.597 1.660 ( -3.190 0.000 2.400) 3.992 1.727 ( -3.422 0.000 4.148) 5.378 1.874 ( 7.047 0.000 5.135) 8.720 1.914 ( -1.758 0.000 0.976) 2.011 2.036 ( -2.428 0.000 -1.054) 2.647 2.111 ( -0.352 0.000 -2.746) 2.768 2.244 ( 3.242 0.000 -2.660) 4.193 2.247 ( 0.673 0.000 -3.609) 3.671 2.348 ( 0.302 0.000 -5.320) 5.329 2.388 ( -2.196 0.000 -10.230) 10.463 2.671 ( -1.893 0.000 0.539) 1.969 2.696 ( 1.514 0.000 -1.401) 2.063 3.238 ( -3.045 0.000 1.870) 3.574 3.282 ( 2.226 0.000 1.060) 2.466 3.290 ( -3.771 0.000 2.089) 4.311 3.329 ( 0.123 0.000 0.757) 0.767 3.401 ( 6.155 0.000 -1.455) 6.325 3.469 ( -1.841 0.000 -3.218) 3.708 3.588 ( -3.713 0.000 3.853) 5.351 3.739 ( 1.220 0.000 -2.661) 2.927 4.081 ( 6.507 0.000 0.559) 6.531 4.122 ( -1.477 0.000 -1.533) 2.128 4.602 ( -6.301 0.000 6.688) 9.189 4.716 ( 0.042 0.000 4.769) 4.769 4.769 ( 0.544 0.000 -1.965) 2.039 4.894 ( -2.164 0.000 0.371) 2.195 4.984 ( 7.641 0.000 -2.156) 7.940 5.110 ( -3.250 0.000 -9.641) 10.174 5.295 ( 1.009 0.000 4.239) 4.358 5.515 ( 0.342 0.000 -5.211) 5.222 5.705 ( -0.312 0.000 1.938) 1.963 5.729 ( -2.366 0.000 -0.380) 2.397 6.061 ( 1.884 0.000 1.226) 2.248 6.090 ( -2.094 0.000 -0.496) 2.152 6.548 ( 2.013 0.000 6.513) 6.817 6.753 ( -0.418 0.000 -2.756) 2.788 8.174 ( 0.081 0.000 2.385) 2.386 8.219 ( 0.087 0.000 -0.058) 0.104 8.784 ( 0.087 0.000 4.078) 4.079 9.001 ( 0.029 0.000 -5.042) 5.042 9.821 ( -0.075 0.000 0.801) 0.805 9.855 ( 0.118 0.000 -0.671) 0.681 9.972 ( 0.124 0.000 2.919) 2.921 10.086 ( -1.145 0.000 -2.116) 2.406 ======================= Grid point 118 (52/100) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -2.108 0.000 15.484) 15.627 0.807 ( 6.369 0.000 12.966) 14.446 0.958 ( -0.816 0.000 -4.691) 4.761 1.130 ( 0.386 0.000 -4.639) 4.655 1.146 ( -2.677 0.000 4.874) 5.561 1.200 ( 6.602 0.000 15.394) 16.750 1.262 ( -2.647 0.000 2.906) 3.931 1.406 ( -3.131 0.000 1.411) 3.434 1.598 ( -1.999 0.000 1.084) 2.274 1.632 ( 1.531 0.000 4.217) 4.486 1.678 ( -0.935 0.000 3.622) 3.740 1.703 ( 9.256 0.000 -5.430) 10.731 1.860 ( -3.364 0.000 0.109) 3.366 1.938 ( -6.876 0.000 0.305) 6.883 2.036 ( 9.526 0.000 3.551) 10.166 2.068 ( -3.454 0.000 -3.581) 4.975 2.289 ( -6.433 0.000 -3.358) 7.257 2.293 ( 1.855 0.000 -6.568) 6.825 2.304 ( 2.352 0.000 0.749) 2.469 2.367 ( 0.867 0.000 -10.136) 10.173 2.623 ( -2.437 0.000 0.181) 2.444 2.682 ( -2.414 0.000 -1.846) 3.039 3.183 ( 1.243 0.000 -1.034) 1.617 3.232 ( -6.930 0.000 0.865) 6.984 3.243 ( -4.172 0.000 1.876) 4.574 3.324 ( 0.408 0.000 2.175) 2.213 3.443 ( -0.602 0.000 -4.416) 4.457 3.459 ( -1.354 0.000 0.951) 1.655 3.581 ( 2.163 0.000 3.714) 4.297 3.777 ( 2.257 0.000 -1.625) 2.781 4.162 ( 5.791 0.000 -4.176) 7.139 4.209 ( 5.905 0.000 0.115) 5.906 4.480 ( -5.710 0.000 6.509) 8.658 4.623 ( -10.926 0.000 5.799) 12.370 4.709 ( -0.827 0.000 4.057) 4.141 4.888 ( 1.069 0.000 0.555) 1.204 5.162 ( 9.203 0.000 -0.641) 9.226 5.177 ( 5.751 0.000 -11.626) 12.970 5.346 ( 3.557 0.000 3.932) 5.302 5.524 ( 1.578 0.000 -6.543) 6.730 5.672 ( -2.611 0.000 1.851) 3.200 5.684 ( -1.121 0.000 2.438) 2.683 6.041 ( -2.990 0.000 -1.192) 3.219 6.075 ( -0.321 0.000 2.196) 2.219 6.641 ( 5.710 0.000 -0.620) 5.743 6.727 ( -2.054 0.000 -2.200) 3.010 8.174 ( -0.164 0.000 2.404) 2.410 8.219 ( -0.074 0.000 -0.119) 0.140 8.785 ( -0.105 0.000 4.094) 4.096 9.000 ( 0.024 0.000 -5.042) 5.042 9.825 ( 0.444 0.000 0.931) 1.032 9.874 ( 1.591 0.000 -1.444) 2.148 9.976 ( 0.187 0.000 3.041) 3.046 10.068 ( -0.469 0.000 -1.263) 1.347 ======================= Grid point 119 (53/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 14.412 0.000 6.471) 15.798 0.910 ( 1.635 0.000 2.656) 3.119 0.975 ( 4.246 0.000 5.024) 6.578 1.099 ( -2.228 0.000 6.127) 6.520 1.150 ( -9.133 0.000 5.901) 10.873 1.165 ( 3.047 0.000 -4.911) 5.779 1.307 ( -5.756 0.000 -1.302) 5.902 1.308 ( 4.437 0.000 4.171) 6.089 1.572 ( -1.264 0.000 3.827) 4.031 1.678 ( -0.293 0.000 4.660) 4.669 1.695 ( 3.387 0.000 6.219) 7.081 1.785 ( -0.482 0.000 -1.411) 1.491 1.820 ( -4.296 0.000 1.468) 4.540 1.858 ( 2.652 0.000 -2.793) 3.851 1.995 ( -3.255 0.000 0.406) 3.281 2.145 ( -7.080 0.000 -2.633) 7.554 2.207 ( 7.138 0.000 0.348) 7.147 2.271 ( -2.721 0.000 -7.404) 7.889 2.327 ( 0.372 0.000 1.686) 1.726 2.409 ( 3.195 0.000 -9.077) 9.623 2.612 ( 1.656 0.000 -0.219) 1.671 2.647 ( -0.618 0.000 -1.583) 1.699 3.091 ( -7.656 0.000 0.682) 7.686 3.141 ( -5.928 0.000 0.859) 5.990 3.268 ( 6.465 0.000 -2.875) 7.075 3.312 ( -1.208 0.000 2.788) 3.039 3.404 ( -4.076 0.000 0.876) 4.169 3.443 ( 0.582 0.000 -4.323) 4.362 3.628 ( 2.766 0.000 3.871) 4.757 3.807 ( 0.770 0.000 -1.578) 1.756 4.262 ( -1.269 0.000 4.361) 4.542 4.288 ( 5.585 0.000 -2.893) 6.290 4.412 ( -1.087 0.000 5.806) 5.906 4.486 ( -2.700 0.000 5.053) 5.729 4.693 ( -0.823 0.000 3.849) 3.935 4.896 ( -0.418 0.000 -0.503) 0.654 5.248 ( 2.724 0.000 -8.982) 9.386 5.287 ( 3.650 0.000 0.708) 3.718 5.373 ( -1.625 0.000 0.901) 1.859 5.543 ( -0.566 0.000 -3.741) 3.783 5.692 ( 5.179 0.000 -1.481) 5.387 5.710 ( 3.307 0.000 3.056) 4.503 5.993 ( -1.014 0.000 -1.459) 1.777 6.047 ( -2.967 0.000 2.626) 3.962 6.685 ( -2.008 0.000 -0.991) 2.239 6.717 ( 2.316 0.000 -5.735) 6.185 8.171 ( -0.163 0.000 2.369) 2.375 8.217 ( -0.148 0.000 -0.061) 0.160 8.784 ( -0.163 0.000 4.149) 4.152 8.999 ( 0.082 0.000 -5.012) 5.013 9.835 ( 0.486 0.000 1.092) 1.195 9.898 ( 0.790 0.000 -1.751) 1.921 9.979 ( 0.015 0.000 3.067) 3.067 10.071 ( 0.762 0.000 -1.434) 1.624 ======================= Grid point 120 (54/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.136 0.000 3.547) 4.140 0.899 ( -1.830 0.000 1.186) 2.181 0.982 ( -4.704 0.000 4.286) 6.363 0.986 ( -0.526 0.000 7.767) 7.785 1.122 ( 2.499 0.000 6.077) 6.571 1.227 ( 2.817 0.000 -4.341) 5.175 1.271 ( 4.389 0.000 -2.950) 5.288 1.370 ( 2.120 0.000 -3.532) 4.119 1.534 ( -3.160 0.000 5.528) 6.367 1.666 ( 0.281 0.000 4.163) 4.172 1.715 ( -7.064 0.000 5.149) 8.741 1.722 ( -0.461 0.000 -0.807) 0.930 1.792 ( -0.405 0.000 5.005) 5.021 1.926 ( 6.323 0.000 4.257) 7.622 1.956 ( -2.771 0.000 5.953) 6.566 2.046 ( -3.208 0.000 -6.133) 6.922 2.212 ( -2.065 0.000 -3.784) 4.311 2.271 ( -0.272 0.000 -7.490) 7.495 2.358 ( 3.335 0.000 -1.436) 3.631 2.484 ( 4.327 0.000 -8.009) 9.104 2.635 ( -1.806 0.000 0.822) 1.984 2.670 ( 3.251 0.000 0.015) 3.252 2.970 ( -3.986 0.000 2.513) 4.712 3.056 ( -1.974 0.000 -0.260) 1.991 3.302 ( 0.329 0.000 1.202) 1.246 3.320 ( -4.383 0.000 0.104) 4.385 3.391 ( 6.107 0.000 -2.114) 6.463 3.458 ( 1.069 0.000 -4.007) 4.147 3.683 ( 2.534 0.000 3.820) 4.584 3.803 ( -0.980 0.000 -2.378) 2.572 4.184 ( -5.901 0.000 7.633) 9.648 4.314 ( -1.395 0.000 2.478) 2.844 4.456 ( 3.654 0.000 3.126) 4.809 4.505 ( 3.209 0.000 1.108) 3.395 4.690 ( 0.603 0.000 2.952) 3.013 4.877 ( -1.163 0.000 -1.114) 1.610 5.236 ( -7.079 0.000 -0.161) 7.081 5.300 ( 3.322 0.000 -5.949) 6.813 5.385 ( 2.114 0.000 0.748) 2.243 5.520 ( -1.474 0.000 -3.048) 3.386 5.716 ( -3.028 0.000 1.894) 3.571 5.808 ( 6.117 0.000 -2.890) 6.765 5.964 ( -5.708 0.000 2.358) 6.176 6.040 ( 5.026 0.000 -0.341) 5.038 6.664 ( 0.166 0.000 -0.453) 0.483 6.729 ( -0.629 0.000 -6.583) 6.613 8.169 ( -0.150 0.000 2.365) 2.369 8.214 ( -0.103 0.000 0.047) 0.114 8.782 ( -0.142 0.000 4.144) 4.147 9.000 ( 0.145 0.000 -4.990) 4.992 9.841 ( 0.067 0.000 1.152) 1.153 9.901 ( -0.284 0.000 -1.429) 1.457 9.978 ( -0.234 0.000 2.966) 2.975 10.089 ( 1.043 0.000 -2.039) 2.290 ======================= Grid point 121 (55/100) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -7.684 0.000 10.848) 13.294 0.830 ( -6.220 0.000 8.862) 10.827 0.911 ( -0.760 0.000 -4.317) 4.383 1.137 ( 7.901 0.000 6.274) 10.089 1.154 ( 2.005 0.000 1.197) 2.335 1.235 ( -1.974 0.000 -4.327) 4.756 1.405 ( 1.626 0.000 -4.304) 4.601 1.422 ( 6.557 0.000 0.361) 6.567 1.484 ( 0.567 0.000 5.701) 5.729 1.504 ( -12.749 0.000 9.352) 15.811 1.699 ( 2.434 0.000 5.059) 5.614 1.767 ( 1.923 0.000 0.933) 2.138 1.770 ( -1.793 0.000 4.524) 4.867 1.899 ( -1.732 0.000 -0.590) 1.829 2.014 ( 1.081 0.000 -0.648) 1.260 2.060 ( 6.078 0.000 1.599) 6.285 2.162 ( -4.174 0.000 -3.877) 5.697 2.266 ( 0.960 0.000 -6.284) 6.357 2.413 ( 0.478 0.000 -3.630) 3.661 2.523 ( -0.831 0.000 -7.851) 7.895 2.589 ( -0.818 0.000 0.944) 1.249 2.681 ( -0.994 0.000 -1.311) 1.645 3.001 ( 6.847 0.000 4.035) 7.948 3.083 ( 4.275 0.000 0.668) 4.327 3.252 ( -2.200 0.000 -1.481) 2.652 3.330 ( 2.133 0.000 -0.082) 2.134 3.458 ( 0.252 0.000 -1.830) 1.847 3.490 ( 2.504 0.000 -1.197) 2.775 3.709 ( -0.269 0.000 3.760) 3.769 3.774 ( -1.762 0.000 -3.328) 3.765 4.073 ( -5.605 0.000 5.426) 7.801 4.268 ( -3.599 0.000 2.179) 4.207 4.526 ( 4.116 0.000 6.324) 7.545 4.584 ( 4.941 0.000 -0.344) 4.953 4.712 ( 1.236 0.000 1.988) 2.341 4.865 ( 0.150 0.000 -1.448) 1.456 5.091 ( -7.908 0.000 -0.025) 7.908 5.361 ( 2.502 0.000 -4.608) 5.244 5.386 ( -2.699 0.000 0.206) 2.707 5.481 ( -2.469 0.000 -3.913) 4.627 5.667 ( -0.702 0.000 2.113) 2.227 5.835 ( -5.181 0.000 -2.579) 5.788 5.923 ( 4.124 0.000 1.539) 4.402 6.112 ( 1.958 0.000 -0.003) 1.958 6.687 ( -3.814 0.000 -4.254) 5.714 6.693 ( 2.592 0.000 -1.127) 2.827 8.168 ( -0.038 0.000 2.396) 2.397 8.213 ( 0.060 0.000 0.087) 0.106 8.781 ( -0.125 0.000 4.144) 4.146 9.001 ( 0.157 0.000 -4.996) 4.998 9.838 ( -0.463 0.000 1.063) 1.160 9.889 ( -0.937 0.000 -1.212) 1.531 9.974 ( -0.297 0.000 2.836) 2.852 10.104 ( 0.505 0.000 -2.567) 2.616 ======================= Grid point 122 (56/100) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.817 0.000 13.087) 13.113 0.729 ( -3.799 0.000 13.017) 13.560 0.927 ( 2.011 0.000 -6.408) 6.716 1.186 ( -2.103 0.000 -4.296) 4.783 1.199 ( 1.918 0.000 0.972) 2.150 1.222 ( -12.754 0.000 15.322) 19.935 1.240 ( 1.934 0.000 5.022) 5.382 1.411 ( -1.593 0.000 4.016) 4.320 1.459 ( 1.804 0.000 0.248) 1.821 1.601 ( 4.316 0.000 -0.445) 4.339 1.735 ( -4.128 0.000 0.403) 4.148 1.743 ( 1.737 0.000 4.497) 4.821 1.772 ( 2.915 0.000 5.228) 5.986 1.914 ( 1.556 0.000 -0.132) 1.562 2.067 ( 4.087 0.000 -2.159) 4.622 2.076 ( -3.618 0.000 -4.927) 6.113 2.171 ( 5.301 0.000 -0.520) 5.326 2.271 ( -1.095 0.000 -2.149) 2.412 2.362 ( -3.126 0.000 -4.633) 5.590 2.454 ( -4.504 0.000 -8.232) 9.383 2.638 ( 4.113 0.000 -1.170) 4.276 2.682 ( 0.462 0.000 -0.475) 0.662 3.175 ( 10.631 0.000 1.871) 10.794 3.184 ( 5.461 0.000 2.261) 5.911 3.243 ( 1.275 0.000 -1.631) 2.070 3.367 ( 1.360 0.000 -1.185) 1.804 3.417 ( -5.227 0.000 0.100) 5.228 3.501 ( -1.116 0.000 -0.302) 1.156 3.669 ( -3.898 0.000 3.903) 5.516 3.743 ( -1.234 0.000 -3.639) 3.843 4.012 ( -0.019 0.000 2.066) 2.066 4.188 ( -4.559 0.000 0.932) 4.653 4.617 ( 4.381 0.000 8.546) 9.604 4.685 ( 5.783 0.000 -1.697) 6.027 4.723 ( -0.544 0.000 2.446) 2.505 4.883 ( 1.613 0.000 -2.268) 2.783 4.959 ( -4.878 0.000 -1.502) 5.104 5.289 ( -9.884 0.000 -8.117) 12.789 5.316 ( -3.254 0.000 2.127) 3.887 5.488 ( 2.668 0.000 -2.757) 3.836 5.687 ( 1.764 0.000 1.845) 2.552 5.761 ( -2.101 0.000 -2.066) 2.946 6.002 ( 3.972 0.000 1.349) 4.194 6.119 ( -0.892 0.000 -0.081) 0.896 6.591 ( -5.426 0.000 2.222) 5.864 6.740 ( 1.896 0.000 -2.210) 2.912 8.170 ( 0.178 0.000 2.400) 2.407 8.216 ( 0.179 0.000 0.040) 0.183 8.781 ( 0.006 0.000 4.143) 4.143 9.002 ( 0.101 0.000 -5.017) 5.018 9.828 ( -0.566 0.000 0.873) 1.040 9.868 ( -1.146 0.000 -0.900) 1.458 9.971 ( -0.110 0.000 2.816) 2.818 10.103 ( -0.478 0.000 -2.798) 2.838 ======================= Grid point 123 (57/100) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 2.474 -4.736 14.939) 15.866 0.663 ( -8.951 4.625 10.708) 14.702 0.982 ( 0.887 1.848 -4.839) 5.255 1.079 ( -0.700 -5.784 -5.450) 7.978 1.155 ( -2.200 -2.345 3.763) 4.950 1.209 ( 1.602 4.543 12.388) 13.292 1.295 ( 0.660 4.530 5.558) 7.200 1.427 ( 0.081 1.339 2.579) 2.907 1.502 ( 6.734 -2.294 -0.791) 7.158 1.619 ( -0.755 -0.041 -1.430) 1.618 1.681 ( -2.781 0.490 0.312) 2.841 1.763 ( -1.676 2.802 1.399) 3.552 1.836 ( 3.271 -2.325 3.292) 5.190 1.901 ( -0.081 -0.939 1.080) 1.434 2.057 ( 1.701 1.631 0.998) 2.559 2.127 ( -2.392 0.435 -1.527) 2.871 2.185 ( 3.854 -3.600 -6.107) 8.069 2.289 ( -0.885 0.983 -2.042) 2.433 2.294 ( -2.053 -0.234 -3.747) 4.279 2.440 ( -1.221 2.623 -7.465) 8.006 2.662 ( -1.770 -0.666 0.235) 1.905 2.693 ( 0.023 -0.251 -1.434) 1.456 3.131 ( -1.692 -7.771 2.993) 8.498 3.218 ( 2.008 -3.025 2.483) 4.399 3.259 ( 4.150 -6.892 -0.686) 8.074 3.323 ( -2.597 -2.809 -1.496) 4.108 3.414 ( -1.717 2.770 1.255) 3.492 3.456 ( 1.073 -1.189 -0.491) 1.675 3.607 ( -1.716 0.812 1.187) 2.238 3.706 ( 1.174 -2.945 -1.755) 3.624 4.128 ( 3.395 4.118 0.246) 5.343 4.158 ( 1.240 3.132 -1.295) 3.609 4.544 ( -4.247 -5.432 9.189) 11.489 4.670 ( -2.171 -2.237 3.132) 4.419 4.764 ( 2.435 -0.383 -1.511) 2.892 4.886 ( -1.174 -0.830 1.140) 1.835 4.979 ( 6.699 -2.908 -8.096) 10.903 5.065 ( -4.386 -1.918 -6.158) 7.800 5.309 ( 0.294 1.437 3.218) 3.537 5.516 ( -0.697 -0.814 -6.071) 6.164 5.700 ( -2.843 -0.424 3.366) 4.426 5.773 ( 1.535 3.881 -0.312) 4.186 6.036 ( 0.361 -0.737 3.684) 3.774 6.175 ( -0.721 6.183 -2.943) 6.885 6.561 ( 1.068 0.993 5.572) 5.760 6.731 ( -0.096 -2.232 -2.182) 3.123 8.175 ( 0.137 0.067 1.977) 1.983 8.221 ( -0.085 0.074 -0.263) 0.286 8.792 ( 0.082 0.849 3.908) 4.000 8.996 ( 0.139 -0.661 -4.688) 4.737 9.834 ( -0.060 1.055 0.215) 1.078 9.859 ( 0.139 0.322 -0.622) 0.714 9.975 ( 0.135 0.269 2.238) 2.258 10.074 ( -0.877 -1.050 -1.884) 2.328 ======================= Grid point 124 (58/100) ======================= q-point: ( 0.17 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -2.043 8.418 11.775) 14.618 0.708 ( 7.319 -7.066 13.737) 17.094 0.980 ( -0.998 2.129 -4.272) 4.877 1.072 ( 0.198 -4.429 -4.425) 6.264 1.099 ( -2.839 -4.396 3.436) 6.261 1.254 ( -1.658 -0.503 3.440) 3.852 1.324 ( 3.956 8.964 10.570) 14.413 1.410 ( -3.245 0.216 1.709) 3.674 1.566 ( -0.602 -0.827 2.016) 2.260 1.630 ( -0.646 -1.769 -1.740) 2.564 1.679 ( 4.670 -1.552 -1.540) 5.156 1.756 ( 1.250 4.754 3.418) 5.988 1.811 ( -1.023 -2.061 -0.862) 2.457 1.967 ( 0.867 -0.805 0.690) 1.370 2.057 ( -3.392 1.458 -1.114) 3.857 2.065 ( 1.754 1.813 0.223) 2.533 2.233 ( 0.146 -2.008 -4.105) 4.572 2.283 ( -0.019 -1.415 -2.699) 3.047 2.310 ( 2.656 -0.524 -1.577) 3.133 2.403 ( -2.321 2.480 -6.820) 7.619 2.603 ( -3.167 -0.628 0.704) 3.304 2.685 ( -0.031 -0.019 -1.113) 1.114 3.123 ( 0.260 -6.557 0.729) 6.603 3.187 ( -5.156 -3.068 1.699) 6.236 3.230 ( -3.749 0.102 -0.036) 3.750 3.321 ( 1.612 -5.152 -0.971) 5.485 3.386 ( -2.060 -0.628 -0.143) 2.158 3.467 ( -0.613 0.277 0.719) 0.985 3.620 ( 2.213 1.668 1.011) 2.950 3.744 ( 2.308 -2.806 -0.926) 3.749 4.148 ( 3.533 -0.007 -2.569) 4.369 4.263 ( 4.567 3.519 -0.427) 5.782 4.421 ( -6.350 -3.477 7.054) 10.108 4.619 ( -5.093 -0.600 1.774) 5.427 4.730 ( -3.516 0.266 3.657) 5.080 4.867 ( 0.909 -2.871 -1.010) 3.176 5.118 ( 7.507 -4.236 -8.143) 11.857 5.165 ( 9.690 0.166 -2.362) 9.975 5.328 ( 1.368 -0.142 3.531) 3.790 5.523 ( 2.293 -0.737 -6.417) 6.855 5.624 ( -4.595 -1.702 3.656) 6.113 5.774 ( -0.779 5.478 1.401) 5.708 6.024 ( -1.446 -1.055 3.864) 4.258 6.145 ( -2.223 5.868 -3.165) 7.028 6.626 ( 4.314 -1.392 0.612) 4.574 6.712 ( -1.674 -1.562 -1.683) 2.842 8.175 ( -0.193 0.100 2.048) 2.060 8.218 ( -0.184 -0.141 -0.284) 0.367 8.795 ( -0.007 0.922 3.889) 3.997 8.996 ( 0.085 -0.505 -4.706) 4.733 9.834 ( 0.191 0.717 0.483) 0.885 9.876 ( 1.338 0.184 -1.220) 1.820 9.979 ( 0.161 0.229 2.306) 2.323 10.060 ( -0.346 -0.702 -1.313) 1.529 ======================= Grid point 125 (59/100) ======================= q-point: ( 0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 10.936 4.877 5.304) 13.097 0.867 ( 7.793 -6.276 9.485) 13.787 0.955 ( -1.212 1.735 -1.445) 2.563 1.036 ( -1.868 -4.755 5.921) 7.821 1.118 ( 3.012 -4.029 -3.970) 6.409 1.163 ( -7.208 0.603 2.978) 7.822 1.291 ( -5.805 -1.334 0.958) 6.033 1.403 ( 0.262 6.402 1.795) 6.654 1.538 ( -1.154 -1.702 2.258) 3.054 1.642 ( 1.935 -0.965 3.620) 4.217 1.699 ( -0.331 -1.238 0.235) 1.303 1.823 ( 3.862 2.945 2.549) 5.485 1.848 ( 1.962 -0.723 -1.934) 2.848 1.885 ( -6.451 2.971 -0.138) 7.104 2.001 ( -0.868 0.833 -1.527) 1.944 2.128 ( -4.394 0.388 0.169) 4.414 2.213 ( 4.135 0.128 1.151) 4.294 2.288 ( -0.434 -0.237 -5.186) 5.210 2.327 ( 0.169 -0.132 0.474) 0.521 2.383 ( 0.927 -0.303 -7.739) 7.800 2.592 ( 1.896 0.925 1.624) 2.663 2.714 ( 3.049 2.592 -1.663) 4.334 3.055 ( -7.243 -3.796 -0.572) 8.198 3.079 ( -5.058 -4.465 1.401) 6.891 3.220 ( 0.851 -2.931 1.420) 3.367 3.351 ( 2.193 2.616 -0.950) 3.543 3.353 ( -0.829 -5.659 -2.052) 6.076 3.432 ( -2.601 0.277 0.091) 2.617 3.661 ( 2.021 1.513 2.113) 3.293 3.777 ( 0.963 -2.619 -0.991) 2.961 4.207 ( -1.220 -2.492 4.828) 5.569 4.309 ( 3.775 -1.175 -0.999) 4.078 4.377 ( 0.529 -0.162 1.013) 1.154 4.523 ( -3.520 1.127 1.878) 4.146 4.692 ( -1.279 -0.709 3.772) 4.046 4.873 ( -0.519 -2.625 -2.503) 3.664 5.216 ( 3.441 -1.847 -5.214) 6.514 5.310 ( 3.105 2.044 0.858) 3.815 5.354 ( 1.544 -1.703 0.628) 2.383 5.527 ( -1.658 -1.351 -1.319) 2.512 5.643 ( 6.570 -2.918 -0.878) 7.242 5.770 ( 0.702 4.344 1.417) 4.623 5.984 ( -3.080 -1.282 3.662) 4.954 6.102 ( -1.692 5.428 -3.414) 6.632 6.671 ( -1.338 -1.777 -0.750) 2.347 6.692 ( 1.479 -2.042 -3.708) 4.484 8.171 ( -0.265 -0.005 2.075) 2.091 8.215 ( -0.079 -0.152 -0.294) 0.341 8.795 ( -0.114 1.040 3.940) 4.077 8.996 ( 0.034 -0.460 -4.615) 4.638 9.841 ( 0.423 0.490 0.753) 0.993 9.895 ( 0.598 -0.263 -1.469) 1.608 9.981 ( -0.011 0.156 2.381) 2.386 10.063 ( 0.611 -0.743 -1.437) 1.730 ======================= Grid point 126 (60/100) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 1.921 0.550 3.137) 3.719 0.882 ( -3.464 -3.091 4.775) 6.660 0.957 ( 1.787 0.841 0.435) 2.022 1.036 ( -2.960 2.983 6.014) 7.337 1.080 ( 3.650 -3.679 5.870) 7.830 1.172 ( 1.972 -4.581 -4.417) 6.663 1.251 ( 2.612 -2.727 0.437) 3.801 1.370 ( 0.219 -0.452 -3.552) 3.587 1.551 ( -0.548 2.240 3.381) 4.093 1.658 ( 0.513 0.114 1.960) 2.030 1.699 ( -2.363 0.285 3.875) 4.547 1.760 ( -4.092 2.347 -0.017) 4.717 1.803 ( -2.412 -0.521 -0.724) 2.572 1.945 ( 5.006 -0.907 0.450) 5.107 1.995 ( -1.177 0.549 0.296) 1.332 2.006 ( -5.391 3.663 5.307) 8.405 2.259 ( -0.406 2.437 -1.228) 2.759 2.280 ( 0.240 1.279 -6.764) 6.888 2.357 ( 3.041 -0.182 -1.795) 3.536 2.439 ( 4.439 -3.579 -6.450) 8.609 2.648 ( 2.875 2.148 2.951) 4.646 2.752 ( -0.963 5.191 -1.984) 5.640 2.948 ( -3.270 -1.934 1.660) 4.146 2.997 ( -1.500 -5.059 -0.186) 5.280 3.225 ( 0.015 -5.749 2.716) 6.359 3.306 ( -3.520 -1.774 -0.553) 3.981 3.405 ( 0.188 -4.082 -1.765) 4.452 3.434 ( 5.032 2.933 -2.701) 6.420 3.695 ( 1.366 0.596 2.716) 3.098 3.777 ( -0.845 -2.498 -1.600) 3.085 4.144 ( -4.237 -2.654 7.169) 8.740 4.335 ( -2.588 1.221 0.358) 2.884 4.419 ( 3.671 -2.033 2.183) 4.730 4.518 ( 2.636 -0.703 -1.695) 3.212 4.682 ( 0.237 -0.897 2.610) 2.770 4.853 ( -1.167 -2.618 -2.856) 4.046 5.252 ( -5.160 1.865 0.496) 5.509 5.274 ( 1.583 -1.948 -1.209) 2.786 5.383 ( 0.511 0.088 0.881) 1.022 5.541 ( 2.099 1.137 -3.815) 4.500 5.723 ( 0.380 -0.333 1.506) 1.589 5.812 ( 3.448 0.526 -3.026) 4.617 5.904 ( -5.166 -2.904 5.579) 8.139 6.111 ( 2.906 5.256 -3.532) 6.967 6.650 ( -0.155 -1.539 -0.181) 1.557 6.704 ( -0.329 -2.316 -4.778) 5.320 8.167 ( -0.180 -0.123 2.049) 2.061 8.215 ( 0.038 0.013 -0.237) 0.240 8.793 ( -0.169 1.047 3.981) 4.120 8.995 ( 0.041 -0.557 -4.534) 4.569 9.847 ( 0.041 0.421 0.864) 0.962 9.898 ( -0.177 -0.313 -1.326) 1.374 9.979 ( -0.221 0.126 2.380) 2.394 10.077 ( 0.831 -1.068 -1.880) 2.317 ======================= Grid point 127 (61/100) ======================= q-point: (-0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -7.891 0.891 9.072) 12.057 0.846 ( -3.568 1.567 7.717) 8.644 0.939 ( -0.909 2.481 -4.494) 5.214 1.109 ( 4.733 -2.820 3.625) 6.595 1.138 ( 0.197 -2.675 1.361) 3.008 1.182 ( 2.797 -2.294 -1.489) 3.912 1.320 ( 3.532 -6.000 -0.655) 6.993 1.470 ( 6.043 1.806 -1.629) 6.514 1.491 ( -5.821 0.149 5.811) 8.226 1.551 ( -6.778 4.163 5.120) 9.460 1.685 ( 1.713 -0.745 2.590) 3.193 1.761 ( -1.001 -0.117 1.347) 1.683 1.795 ( 2.036 1.308 -0.980) 2.611 1.911 ( -2.187 1.237 -0.648) 2.595 1.965 ( -0.253 -1.398 1.290) 1.919 2.056 ( 3.806 -0.128 3.923) 5.467 2.221 ( -3.430 3.155 -4.217) 6.285 2.300 ( 2.065 3.006 -3.574) 5.106 2.406 ( 0.903 -0.621 -4.520) 4.651 2.496 ( 0.945 -2.717 -6.643) 7.239 2.659 ( -1.219 5.062 1.482) 5.413 2.690 ( -2.981 1.205 -1.675) 3.625 2.965 ( 5.264 -3.536 2.527) 6.827 3.050 ( 5.356 -2.618 1.947) 6.271 3.211 ( -2.076 -5.240 2.098) 6.014 3.274 ( 1.252 -2.899 -2.121) 3.804 3.414 ( 0.553 -4.700 -1.218) 4.886 3.510 ( 2.300 2.277 -0.620) 3.296 3.704 ( -0.794 -0.527 2.606) 2.775 3.748 ( -1.964 -2.578 -2.096) 3.859 4.065 ( -3.892 -0.461 4.126) 5.691 4.277 ( -3.166 0.595 1.651) 3.620 4.473 ( 2.391 -2.984 5.168) 6.429 4.594 ( 5.121 -0.865 -2.566) 5.793 4.702 ( 1.513 -0.777 0.950) 1.949 4.836 ( -0.506 -2.673 -2.636) 3.788 5.119 ( -7.763 1.932 0.587) 8.021 5.308 ( 0.226 -2.799 1.689) 3.277 5.369 ( -1.727 -0.847 -3.133) 3.676 5.573 ( 0.625 5.993 -4.191) 7.340 5.700 ( -1.813 2.228 0.358) 2.895 5.764 ( -4.537 -5.935 0.524) 7.489 5.921 ( 4.296 0.451 2.590) 5.036 6.166 ( 2.091 4.639 -2.373) 5.615 6.669 ( 0.264 -1.642 -1.613) 2.317 6.675 ( -1.026 -1.865 -1.874) 2.836 8.166 ( 0.028 -0.110 2.016) 2.019 8.217 ( 0.170 0.191 -0.191) 0.319 8.791 ( -0.171 0.981 3.998) 4.120 8.995 ( 0.077 -0.697 -4.524) 4.578 9.843 ( -0.404 0.418 0.727) 0.931 9.889 ( -0.715 0.001 -1.130) 1.337 9.975 ( -0.250 0.167 2.289) 2.308 10.089 ( 0.380 -1.340 -2.255) 2.651 ======================= Grid point 128 (62/100) ======================= q-point: (-0.17 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -2.257 -1.447 12.983) 13.257 0.776 ( -3.865 3.962 9.134) 10.680 0.955 ( 1.912 2.310 -5.479) 6.246 1.102 ( -1.840 -6.436 -4.434) 8.029 1.173 ( 1.509 -2.711 2.185) 3.795 1.241 ( -0.259 -0.059 3.823) 3.832 1.291 ( -5.314 5.114 10.952) 13.203 1.408 ( 1.911 -1.948 2.768) 3.887 1.456 ( -2.320 1.731 3.254) 4.355 1.599 ( 3.604 0.072 -1.505) 3.906 1.720 ( 0.269 -0.934 1.459) 1.753 1.755 ( 1.558 -1.091 1.681) 2.538 1.793 ( -0.833 2.992 0.554) 3.155 1.915 ( 0.175 0.527 1.164) 1.290 2.000 ( 3.696 -1.358 0.103) 3.939 2.117 ( 2.813 -4.165 0.492) 5.050 2.161 ( -1.752 3.550 -5.334) 6.643 2.315 ( -1.002 2.664 -1.563) 3.247 2.365 ( -4.082 0.692 -5.020) 6.507 2.471 ( -2.091 0.929 -7.591) 7.928 2.660 ( 1.290 1.763 -1.189) 2.488 2.681 ( 0.939 -0.102 -0.047) 0.946 3.103 ( 8.180 -5.374 1.876) 9.965 3.145 ( 2.640 -5.512 3.996) 7.302 3.188 ( 1.182 -4.417 0.073) 4.572 3.317 ( 2.411 -3.144 -2.198) 4.530 3.422 ( 0.518 -1.743 -0.828) 1.997 3.498 ( -3.512 0.976 1.725) 4.032 3.663 ( -3.356 -1.055 1.901) 3.999 3.713 ( -1.476 -2.488 -2.100) 3.575 4.039 ( 2.060 2.856 0.951) 3.647 4.214 ( -3.709 1.849 1.229) 4.323 4.528 ( 3.149 -6.059 7.823) 10.384 4.691 ( 4.341 -0.574 -1.144) 4.526 4.723 ( -0.037 0.318 1.122) 1.167 4.839 ( 1.843 -3.210 -3.970) 5.427 4.982 ( -5.571 1.348 -1.097) 5.836 5.239 ( -8.385 -4.236 -5.732) 11.005 5.325 ( -2.242 1.024 1.417) 2.843 5.540 ( -1.983 2.248 -4.494) 5.403 5.712 ( 2.495 2.172 0.317) 3.323 5.734 ( 0.202 -1.244 1.497) 1.956 5.997 ( 3.422 -0.022 2.864) 4.462 6.182 ( -0.022 5.409 -2.058) 5.787 6.599 ( -4.231 0.612 2.381) 4.894 6.714 ( 1.907 -2.592 -1.751) 3.663 8.170 ( 0.255 -0.015 1.980) 1.996 8.220 ( 0.168 0.236 -0.222) 0.365 8.790 ( -0.043 0.904 3.979) 4.080 8.995 ( 0.117 -0.755 -4.587) 4.650 9.836 ( -0.257 0.684 0.430) 0.847 9.871 ( -1.062 0.302 -0.817) 1.373 9.973 ( -0.060 0.239 2.218) 2.231 10.088 ( -0.401 -1.367 -2.367) 2.763 ======================= Grid point 129 (63/100) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -0.802 1.112 9.419) 9.519 0.790 ( -4.235 5.721 5.343) 8.900 0.972 ( 0.400 -4.048 -4.931) 6.392 1.005 ( -0.100 -0.372 -0.854) 0.937 1.113 ( -2.337 -0.047 -0.486) 2.388 1.211 ( 1.896 -2.262 0.809) 3.060 1.423 ( -1.957 -0.031 4.998) 5.367 1.460 ( 4.703 5.238 5.717) 9.069 1.496 ( 4.400 2.926 2.247) 5.743 1.624 ( -1.535 0.942 -1.761) 2.519 1.675 ( -2.460 -0.890 -1.081) 2.831 1.765 ( -1.248 -2.904 -4.279) 5.320 1.807 ( 3.211 -0.344 0.113) 3.231 1.907 ( -1.402 0.587 0.443) 1.583 2.082 ( 3.641 -0.878 1.914) 4.206 2.112 ( 1.731 1.901 0.429) 2.607 2.180 ( -1.279 2.535 -3.953) 4.866 2.253 ( -1.079 -2.024 -4.048) 4.653 2.361 ( -3.463 3.494 0.066) 4.920 2.482 ( -1.089 1.632 -4.386) 4.805 2.651 ( -1.192 -0.199 1.174) 1.685 2.692 ( -0.976 0.155 -0.508) 1.111 2.977 ( 0.246 -7.497 2.343) 7.859 3.080 ( 3.944 -8.778 -1.816) 9.794 3.147 ( 1.732 -4.343 3.198) 5.665 3.245 ( -2.309 -4.828 -0.952) 5.436 3.419 ( 2.140 -2.166 1.241) 3.288 3.441 ( -2.370 -0.852 0.808) 2.645 3.609 ( 0.447 -0.419 -0.149) 0.630 3.642 ( 0.674 -2.710 -0.573) 2.851 4.196 ( -2.489 2.533 0.653) 3.611 4.264 ( 6.413 6.955 -1.070) 9.521 4.432 ( -0.829 -4.976 6.552) 8.269 4.636 ( -4.949 -1.162 4.352) 6.692 4.761 ( 1.972 -0.571 -1.251) 2.404 4.827 ( -6.683 -7.801 -8.732) 13.482 4.900 ( 6.425 0.804 -2.090) 6.804 5.069 ( 1.486 0.666 -6.438) 6.641 5.351 ( -0.163 2.364 2.440) 3.402 5.478 ( -0.832 -2.575 -3.174) 4.171 5.697 ( -3.427 0.149 3.941) 5.224 5.828 ( 2.639 0.477 -1.378) 3.015 6.061 ( -0.119 3.985 6.534) 7.654 6.308 ( -0.547 6.556 -4.831) 8.162 6.571 ( -0.632 -0.453 3.165) 3.259 6.663 ( 0.677 -4.342 -0.994) 4.505 8.176 ( 0.214 0.066 0.974) 1.000 8.217 ( -0.236 -0.508 -0.636) 0.847 8.818 ( 0.092 1.591 3.226) 3.598 8.973 ( 0.236 -1.555 -3.399) 3.745 9.854 ( -0.095 0.783 -0.147) 0.803 9.866 ( 0.122 0.318 -0.480) 0.589 9.982 ( 0.133 0.464 0.855) 0.982 10.049 ( -0.434 -1.296 -1.576) 2.086 ======================= Grid point 130 (64/100) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 5.316 -1.584 8.951) 10.531 0.729 ( -1.178 9.385 6.885) 11.699 0.980 ( 0.374 -2.564 -4.755) 5.415 0.993 ( -1.117 -4.525 0.950) 4.756 1.054 ( -2.888 2.548 -2.326) 4.499 1.231 ( -1.211 -1.976 -0.603) 2.395 1.364 ( -4.883 -2.459 3.978) 6.761 1.522 ( 1.687 5.426 6.616) 8.721 1.570 ( -2.520 1.566 -0.935) 3.111 1.599 ( 3.841 1.955 -0.940) 4.411 1.653 ( 0.465 -1.328 0.202) 1.422 1.765 ( 1.837 -3.054 -2.391) 4.291 1.799 ( -0.546 -0.767 -2.465) 2.638 1.965 ( 3.515 0.473 0.381) 3.567 2.067 ( -3.055 2.571 -0.388) 4.012 2.125 ( 0.918 0.658 1.030) 1.529 2.227 ( 3.442 2.127 -3.806) 5.555 2.248 ( -0.579 -1.839 -2.310) 3.009 2.318 ( -0.267 1.812 0.445) 1.885 2.446 ( -2.378 1.683 -2.774) 4.023 2.619 ( -0.867 1.863 1.700) 2.667 2.686 ( 0.474 0.145 -0.473) 0.685 2.986 ( -0.166 -6.602 0.644) 6.635 3.097 ( -5.523 -5.850 2.019) 8.294 3.144 ( 1.927 -8.934 0.049) 9.140 3.217 ( -0.609 -3.442 -1.970) 4.012 3.396 ( -1.087 0.660 0.040) 1.272 3.470 ( 1.357 -0.024 2.133) 2.529 3.627 ( 1.817 -0.585 -0.537) 1.983 3.684 ( 2.480 -2.743 0.257) 3.707 4.166 ( 0.272 1.707 -1.882) 2.555 4.321 ( -2.195 1.778 3.444) 4.455 4.383 ( -2.110 -0.769 0.704) 2.354 4.596 ( -0.949 -1.237 1.879) 2.442 4.661 ( -5.791 -7.112 -0.690) 9.197 4.804 ( 1.009 -1.838 -3.571) 4.142 5.063 ( 8.918 -0.484 -2.838) 9.371 5.174 ( 8.296 0.561 -5.551) 9.997 5.354 ( 0.232 2.064 2.874) 3.546 5.491 ( 2.898 -2.195 -2.462) 4.391 5.609 ( -5.684 0.300 3.700) 6.789 5.852 ( 0.042 0.473 -1.154) 1.248 6.037 ( -2.294 3.925 7.553) 8.816 6.278 ( -2.354 6.703 -5.554) 9.018 6.584 ( 1.427 -2.939 1.370) 3.543 6.661 ( -0.729 -3.438 -0.727) 3.589 8.177 ( -0.152 0.124 1.063) 1.081 8.212 ( -0.234 -0.487 -0.660) 0.853 8.821 ( 0.119 1.625 3.173) 3.566 8.976 ( 0.202 -1.468 -3.446) 3.751 9.849 ( -0.117 0.649 0.049) 0.661 9.878 ( 0.762 -0.033 -0.718) 1.047 9.985 ( 0.100 0.392 0.878) 0.967 10.042 ( -0.153 -1.014 -1.384) 1.722 ======================= Grid point 131 (65/100) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 6.907 -1.046 4.866) 8.513 0.780 ( 6.007 3.951 4.854) 8.675 0.936 ( -3.009 -3.677 3.416) 5.852 1.002 ( 1.014 0.140 -2.222) 2.447 1.041 ( 1.463 -1.632 -3.492) 4.123 1.165 ( -4.760 -1.611 -1.427) 5.223 1.252 ( -6.311 -1.063 3.193) 7.152 1.430 ( -7.156 -2.859 1.377) 7.828 1.616 ( 1.948 7.048 -0.989) 7.379 1.656 ( 1.391 0.658 2.381) 2.835 1.667 ( 3.148 0.354 1.121) 3.360 1.792 ( 0.272 -3.659 -4.763) 6.013 1.828 ( 2.386 -1.530 -4.159) 5.033 1.954 ( -4.004 2.651 1.065) 4.918 2.043 ( 0.526 4.057 3.297) 5.254 2.166 ( 0.910 1.182 2.213) 2.668 2.204 ( -0.718 -0.595 0.632) 1.126 2.284 ( 2.230 1.231 -3.868) 4.631 2.326 ( 0.497 0.563 -1.043) 1.285 2.406 ( -1.780 1.229 -5.329) 5.751 2.644 ( 2.983 3.502 3.330) 5.679 2.727 ( 4.506 -0.735 -0.493) 4.593 2.939 ( -5.036 -6.458 -1.105) 8.263 3.000 ( -4.069 -4.151 2.595) 6.366 3.157 ( -1.161 -4.561 1.625) 4.979 3.195 ( -0.895 -8.401 -2.175) 8.724 3.418 ( 3.461 3.474 -2.457) 5.485 3.454 ( -3.136 2.255 3.069) 4.934 3.666 ( 2.112 -0.596 0.520) 2.255 3.716 ( 0.728 -3.135 0.457) 3.251 4.183 ( -2.421 -0.225 2.741) 3.664 4.264 ( 2.058 -2.578 -1.375) 3.574 4.382 ( 0.497 -0.444 -2.790) 2.869 4.520 ( -4.823 -0.821 -1.142) 5.024 4.637 ( 0.344 -4.752 2.936) 5.596 4.804 ( -0.853 -3.450 -3.617) 5.071 5.200 ( 5.077 0.418 -0.632) 5.133 5.327 ( 5.614 -0.707 -2.355) 6.128 5.356 ( 1.508 2.314 1.638) 3.211 5.503 ( -4.545 -0.976 3.807) 6.008 5.592 ( 6.582 -1.623 -1.923) 7.047 5.837 ( -1.408 -0.165 -1.776) 2.272 5.988 ( -3.100 4.131 7.705) 9.276 6.233 ( -1.634 6.848 -6.043) 9.278 6.602 ( -0.015 -4.768 0.230) 4.774 6.646 ( -0.332 -2.794 -1.622) 3.248 8.172 ( -0.350 0.161 1.171) 1.233 8.209 ( 0.035 -0.427 -0.755) 0.868 8.823 ( -0.034 1.686 3.216) 3.631 8.977 ( 0.016 -1.390 -3.364) 3.640 9.851 ( 0.269 0.422 0.294) 0.580 9.887 ( 0.247 -0.499 -0.943) 1.095 9.986 ( -0.051 0.325 0.993) 1.046 10.044 ( 0.329 -1.076 -1.439) 1.826 ======================= Grid point 132 (66/100) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -2.313 -2.591 3.108) 4.661 0.856 ( 2.898 2.613 1.449) 4.162 0.949 ( 4.474 -4.209 3.923) 7.288 1.020 ( -0.450 0.036 -1.522) 1.588 1.075 ( -0.827 -3.958 -4.498) 6.049 1.093 ( 1.166 0.162 1.206) 1.685 1.191 ( 0.446 -0.850 3.350) 3.485 1.331 ( -0.900 -3.554 -0.423) 3.690 1.605 ( -3.065 2.164 1.389) 4.001 1.655 ( 0.013 -1.428 -2.390) 2.785 1.750 ( 1.303 4.036 3.645) 5.592 1.777 ( 0.032 0.825 -4.481) 4.556 1.819 ( -3.460 3.007 -1.473) 4.815 1.906 ( 0.538 -0.678 -3.311) 3.422 2.061 ( 0.017 4.135 5.803) 7.125 2.094 ( -4.434 3.660 5.664) 8.071 2.269 ( 3.721 -2.390 0.679) 4.475 2.310 ( 0.512 1.989 -4.354) 4.814 2.336 ( 0.456 -1.848 -2.267) 2.960 2.397 ( 2.156 0.340 -7.241) 7.562 2.707 ( 2.515 2.945 3.915) 5.507 2.802 ( -0.655 -0.686 -1.289) 1.600 2.883 ( 2.495 -5.100 0.654) 5.715 2.916 ( -3.934 -1.989 0.566) 4.444 3.117 ( -2.118 -4.546 2.393) 5.557 3.191 ( -0.112 -8.574 -1.058) 8.639 3.382 ( -3.589 2.096 2.160) 4.684 3.501 ( 4.608 3.621 -2.391) 6.330 3.693 ( -0.009 -1.242 1.417) 1.884 3.712 ( -0.585 -3.026 0.205) 3.088 4.112 ( -3.339 -0.330 3.256) 4.676 4.336 ( 0.474 -1.906 -3.469) 3.987 4.391 ( 1.999 -0.536 0.944) 2.275 4.464 ( 0.262 -3.535 -3.701) 5.125 4.648 ( 0.836 -2.661 2.178) 3.539 4.784 ( -0.750 -3.976 -3.205) 5.162 5.248 ( -1.158 -0.008 1.834) 2.169 5.305 ( -2.239 2.675 0.620) 3.543 5.393 ( -1.618 0.822 1.813) 2.565 5.530 ( 6.655 -2.009 -1.720) 7.161 5.688 ( 2.527 -2.450 0.577) 3.567 5.788 ( -4.260 -2.718 -2.659) 5.710 5.946 ( -0.555 6.630 6.518) 9.314 6.232 ( 1.849 6.381 -5.873) 8.867 6.591 ( -0.514 -4.537 0.639) 4.611 6.648 ( 0.176 -3.079 -2.582) 4.022 8.167 ( -0.228 0.126 1.172) 1.200 8.212 ( 0.203 -0.359 -0.765) 0.869 8.822 ( -0.195 1.696 3.304) 3.719 8.975 ( -0.107 -1.413 -3.249) 3.545 9.854 ( -0.008 0.302 0.443) 0.536 9.889 ( 0.024 -0.567 -1.070) 1.211 9.984 ( -0.172 0.328 1.068) 1.131 10.051 ( 0.446 -1.385 -1.616) 2.174 ======================= Grid point 133 (67/100) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -6.167 1.606 4.546) 7.828 0.884 ( -0.227 2.096 4.574) 5.036 0.970 ( -1.351 -1.970 -1.398) 2.767 1.022 ( -3.340 -6.659 -5.387) 9.193 1.056 ( 5.064 -0.294 0.029) 5.072 1.190 ( 5.105 -4.912 -0.319) 7.091 1.211 ( 2.817 1.722 2.568) 4.183 1.421 ( 5.843 -4.108 2.519) 7.574 1.544 ( -1.398 3.192 1.975) 4.005 1.632 ( -4.890 1.892 1.093) 5.356 1.681 ( -2.007 1.799 -1.028) 2.884 1.755 ( -1.601 0.592 -1.871) 2.533 1.828 ( 0.378 0.858 -3.815) 3.928 1.939 ( 3.187 2.705 -0.718) 4.241 2.007 ( -2.934 4.040 5.766) 7.628 2.068 ( -1.223 1.512 5.138) 5.493 2.276 ( -2.249 2.305 -3.430) 4.705 2.320 ( 1.134 -1.527 -3.284) 3.795 2.399 ( 5.018 -3.900 -2.541) 6.845 2.435 ( 0.923 1.139 -5.475) 5.668 2.685 ( -3.003 -0.304 0.984) 3.174 2.766 ( -4.142 2.651 -0.942) 5.007 2.880 ( 4.404 -4.013 1.263) 6.091 2.989 ( 3.679 -3.705 3.516) 6.295 3.088 ( -1.069 -5.068 2.013) 5.557 3.192 ( 1.078 -6.063 -1.346) 6.303 3.348 ( 0.121 -0.534 1.070) 1.202 3.555 ( 0.292 1.515 0.084) 1.545 3.661 ( -2.454 -3.740 0.063) 4.474 3.704 ( -1.071 -1.202 0.969) 1.879 4.079 ( 0.189 2.464 0.637) 2.552 4.281 ( -3.295 -0.154 0.127) 3.301 4.434 ( 0.761 -1.186 3.326) 3.612 4.532 ( 6.238 -4.500 -5.769) 9.614 4.679 ( 2.528 -1.597 0.415) 3.019 4.777 ( -0.065 -3.307 -2.123) 3.931 5.145 ( -7.757 0.851 1.471) 7.940 5.271 ( -3.573 -1.145 -1.422) 4.012 5.373 ( -0.360 1.489 0.520) 1.618 5.623 ( -4.271 -6.754 2.673) 8.426 5.661 ( 2.837 2.300 -5.412) 6.529 5.739 ( -0.137 0.762 1.180) 1.411 5.976 ( 2.769 5.464 4.904) 7.847 6.278 ( 2.484 6.057 -4.820) 8.130 6.597 ( 1.171 -5.166 0.260) 5.304 6.641 ( -0.915 -1.886 -1.377) 2.508 8.166 ( 0.078 0.096 1.088) 1.095 8.216 ( 0.237 -0.352 -0.707) 0.825 8.819 ( -0.232 1.660 3.350) 3.746 8.972 ( -0.073 -1.505 -3.209) 3.545 9.851 ( -0.238 0.377 0.268) 0.520 9.887 ( -0.278 -0.267 -0.893) 0.973 9.981 ( -0.136 0.403 1.015) 1.101 10.057 ( 0.198 -1.620 -1.757) 2.398 ======================= Grid point 134 (68/100) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -4.810 2.615 7.240) 9.076 0.853 ( -2.645 2.575 4.064) 5.490 0.971 ( -0.531 -5.547 -4.653) 7.260 0.990 ( 1.501 0.259 -1.728) 2.303 1.125 ( 1.468 -1.247 0.110) 1.929 1.203 ( -0.640 -3.946 -1.788) 4.379 1.332 ( 6.863 0.325 4.343) 8.128 1.443 ( -0.548 4.046 7.579) 8.609 1.513 ( -5.043 3.787 2.940) 6.958 1.607 ( 3.752 0.852 -0.533) 3.884 1.698 ( 1.686 -1.102 -1.712) 2.643 1.734 ( 0.277 -0.758 -1.601) 1.792 1.807 ( -1.989 -1.717 -5.556) 6.146 1.968 ( -2.207 3.776 3.845) 5.824 2.011 ( 2.983 0.706 3.292) 4.498 2.055 ( 1.877 0.413 0.766) 2.069 2.223 ( -2.667 2.873 -3.990) 5.593 2.310 ( -2.922 -1.878 -3.937) 5.250 2.417 ( -2.117 1.755 -2.189) 3.515 2.475 ( 2.392 0.373 -4.479) 5.091 2.656 ( -0.162 -0.970 0.879) 1.319 2.711 ( -1.339 1.474 -1.265) 2.359 2.973 ( 2.725 -7.560 3.611) 8.810 3.015 ( 1.251 -5.399 1.522) 5.747 3.092 ( 2.108 -4.576 1.119) 5.161 3.240 ( 2.823 -4.568 -1.146) 5.491 3.375 ( 2.184 -2.261 1.008) 3.301 3.511 ( -4.089 -1.022 1.403) 4.442 3.616 ( -1.876 -2.603 -0.310) 3.223 3.669 ( -2.329 -1.614 0.440) 2.868 4.136 ( 5.825 6.645 -0.706) 8.865 4.236 ( -1.854 0.331 1.251) 2.261 4.436 ( -0.255 -2.842 4.790) 5.576 4.656 ( 5.867 -2.518 -2.282) 6.780 4.726 ( 1.129 -0.325 0.717) 1.376 4.776 ( 1.341 -3.374 -4.278) 5.611 4.996 ( -7.490 -0.086 -1.100) 7.571 5.153 ( -8.056 -3.070 -5.745) 10.360 5.362 ( -0.970 2.395 1.736) 3.113 5.517 ( -3.699 -3.332 -1.727) 5.270 5.732 ( -0.399 0.434 2.994) 3.051 5.758 ( 4.455 1.363 -1.951) 5.051 6.032 ( 2.635 4.181 5.430) 7.342 6.307 ( 0.766 6.485 -4.175) 7.750 6.601 ( -1.896 -1.435 1.689) 2.916 6.638 ( 1.595 -4.138 -0.943) 4.534 8.170 ( 0.322 0.074 0.996) 1.050 8.219 ( 0.069 -0.438 -0.668) 0.801 8.816 ( -0.100 1.616 3.315) 3.690 8.971 ( 0.083 -1.570 -3.277) 3.635 9.850 ( 0.136 0.628 0.000) 0.642 9.877 ( -0.757 0.149 -0.613) 0.985 9.980 ( 0.024 0.472 0.910) 1.025 10.056 ( -0.215 -1.593 -1.765) 2.387 ======================= Grid point 135 (69/100) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -1.250 5.636 3.450) 6.726 0.868 ( 1.764 2.390 -3.488) 4.582 0.888 ( -0.265 -3.945 2.323) 4.586 1.037 ( -2.099 2.568 -1.094) 3.493 1.106 ( 2.207 -1.273 0.646) 2.629 1.179 ( 0.761 -0.126 -3.498) 3.582 1.400 ( -2.058 -0.660 3.519) 4.130 1.494 ( 4.489 -2.424 1.323) 5.270 1.569 ( 0.326 3.241 2.562) 4.144 1.649 ( -0.597 -0.724 -0.814) 1.242 1.681 ( -1.810 2.316 -0.428) 2.970 1.713 ( -0.772 -1.266 -2.188) 2.643 1.807 ( 2.132 0.918 -3.680) 4.351 1.882 ( -0.796 -1.999 -5.050) 5.490 2.109 ( 1.839 2.738 3.834) 5.058 2.133 ( 0.293 -0.305 0.338) 0.541 2.215 ( -1.698 -0.893 -2.699) 3.312 2.252 ( 0.481 2.104 -4.151) 4.678 2.424 ( 0.460 3.432 1.723) 3.868 2.520 ( -1.972 2.589 -2.056) 3.850 2.665 ( -0.254 1.609 2.449) 2.942 2.689 ( -0.692 -0.642 2.099) 2.301 2.833 ( 1.475 -6.233 1.355) 6.547 2.912 ( -0.846 -8.072 -1.949) 8.347 3.082 ( 1.123 -1.575 2.207) 2.935 3.146 ( -1.237 -4.353 -0.624) 4.568 3.372 ( 2.847 -2.072 1.193) 3.718 3.394 ( -0.565 -2.896 1.054) 3.134 3.601 ( 1.210 -0.165 -0.195) 1.237 3.610 ( -0.395 -0.736 -0.448) 0.948 4.242 ( 0.129 2.172 1.996) 2.952 4.349 ( -0.981 -2.588 4.809) 5.549 4.407 ( 1.052 5.624 -4.799) 7.467 4.596 ( -6.645 -4.503 -1.248) 8.124 4.684 ( -1.315 -1.588 -0.934) 2.264 4.760 ( 1.510 -1.494 -3.174) 3.819 4.947 ( 4.536 3.238 -2.235) 6.005 5.067 ( 2.378 -1.140 -6.580) 7.089 5.391 ( -0.470 1.447 1.427) 2.086 5.429 ( -0.462 -1.885 0.114) 1.944 5.709 ( -2.903 1.128 3.255) 4.505 5.798 ( 1.082 -2.682 0.434) 2.924 6.187 ( 0.417 7.730 5.600) 9.554 6.426 ( -0.594 4.560 -4.167) 6.206 6.511 ( -0.288 -5.438 1.187) 5.574 6.587 ( -0.073 -2.746 -1.457) 3.110 8.179 ( 0.202 0.246 -0.107) 0.336 8.203 ( -0.130 -0.826 -0.920) 1.244 8.854 ( 0.114 1.967 1.927) 2.756 8.936 ( 0.220 -1.992 -1.626) 2.581 9.865 ( -0.058 0.375 -0.146) 0.407 9.870 ( 0.016 0.119 -0.315) 0.337 9.993 ( 0.078 0.579 -0.248) 0.635 10.025 ( -0.153 -1.071 -1.324) 1.710 ======================= Grid point 136 (70/100) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 2.240 5.008 2.486) 6.023 0.864 ( -1.460 0.074 3.270) 3.582 0.911 ( 2.178 0.041 -3.813) 4.391 0.992 ( -2.456 3.396 -1.626) 4.495 1.095 ( -2.064 0.185 0.246) 2.087 1.167 ( -2.930 -3.128 -5.705) 7.136 1.350 ( -2.707 1.616 4.146) 5.208 1.494 ( -5.711 -2.809 0.875) 6.424 1.617 ( 0.084 -2.007 -1.397) 2.446 1.641 ( 4.498 0.209 1.783) 4.843 1.688 ( -0.068 0.235 -2.054) 2.068 1.709 ( 3.356 1.161 0.988) 3.686 1.785 ( -0.788 2.491 -4.578) 5.271 1.955 ( 4.498 -1.809 -2.045) 5.262 2.123 ( 0.547 0.945 1.286) 1.687 2.136 ( 0.808 1.085 1.045) 1.709 2.228 ( 1.256 1.419 -1.355) 2.329 2.274 ( 1.347 1.370 -4.826) 5.194 2.392 ( -3.392 5.205 -1.129) 6.315 2.477 ( -1.792 1.858 0.639) 2.659 2.657 ( 0.618 1.334 1.783) 2.311 2.684 ( -0.350 -0.611 0.872) 1.121 2.861 ( -0.435 -5.959 1.022) 6.061 2.901 ( 0.535 -10.406 1.223) 10.491 3.049 ( -2.976 -1.490 1.446) 3.629 3.134 ( -1.159 -4.248 -0.191) 4.408 3.405 ( 2.755 0.586 -0.910) 2.960 3.460 ( 4.815 -1.155 1.501) 5.174 3.615 ( 1.253 -0.305 -0.698) 1.467 3.641 ( 1.842 -1.556 0.761) 2.528 4.215 ( -2.806 2.865 -0.050) 4.011 4.317 ( -4.122 -2.145 5.325) 7.068 4.370 ( -2.094 -0.019 -3.979) 4.497 4.493 ( -3.098 -6.800 -1.522) 7.625 4.630 ( -2.822 3.169 -1.295) 4.437 4.768 ( -0.724 -2.353 -2.912) 3.813 5.093 ( 8.756 2.784 -2.452) 9.510 5.179 ( 8.197 -0.267 -6.039) 10.185 5.390 ( 0.125 1.248 1.803) 2.196 5.442 ( 1.997 -2.361 1.478) 3.427 5.640 ( -4.129 2.663 2.914) 5.713 5.801 ( -0.707 -4.233 0.854) 4.376 6.174 ( -1.812 8.374 5.653) 10.265 6.403 ( -1.825 5.543 -5.404) 7.954 6.496 ( -0.859 -6.035 1.796) 6.355 6.585 ( -0.313 -3.879 -1.506) 4.173 8.180 ( -0.039 0.238 -0.069) 0.250 8.200 ( -0.115 -0.651 -0.944) 1.153 8.858 ( 0.168 1.966 1.871) 2.719 8.940 ( 0.228 -1.995 -1.682) 2.620 9.860 ( -0.238 0.483 -0.094) 0.546 9.875 ( 0.225 -0.251 -0.367) 0.499 9.994 ( 0.040 0.497 -0.232) 0.550 10.022 ( -0.053 -0.933 -1.295) 1.597 ======================= Grid point 137 (71/100) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 4.707 1.465 0.745) 4.986 0.846 ( -0.230 -1.761 0.902) 1.991 0.942 ( -1.805 4.991 -1.218) 5.445 0.964 ( 3.052 -0.795 -4.185) 5.240 1.055 ( -2.466 -1.012 -0.497) 2.712 1.098 ( -2.867 -2.159 -4.950) 6.115 1.269 ( -5.571 1.419 3.146) 6.553 1.363 ( -7.475 -3.381 1.315) 8.309 1.612 ( 0.277 -1.591 -2.558) 3.025 1.665 ( -1.717 -1.207 -2.277) 3.097 1.729 ( 3.844 0.533 0.850) 3.973 1.790 ( 3.760 -1.598 -2.702) 4.898 1.828 ( 4.746 7.681 1.069) 9.092 2.003 ( 0.346 1.430 1.786) 2.314 2.128 ( -1.442 2.404 1.939) 3.408 2.158 ( 1.899 -0.267 1.169) 2.246 2.210 ( -2.616 2.380 -2.103) 4.115 2.311 ( 2.673 1.343 -2.919) 4.179 2.358 ( 0.814 1.288 -4.652) 4.895 2.415 ( -5.419 -0.570 -1.805) 5.740 2.695 ( 2.468 0.212 0.161) 2.482 2.706 ( 4.218 -0.628 2.395) 4.891 2.826 ( -3.219 -4.086 2.174) 5.638 2.896 ( -1.804 -6.132 2.781) 6.971 3.023 ( 0.178 -4.169 -0.143) 4.175 3.089 ( -2.993 -4.295 0.098) 5.236 3.482 ( 4.607 3.197 -1.191) 5.733 3.516 ( 0.147 2.866 2.700) 3.940 3.647 ( 2.233 -1.251 -0.484) 2.605 3.660 ( -0.005 -2.231 1.583) 2.735 4.180 ( -1.675 -0.311 -0.289) 1.728 4.211 ( -3.234 -2.379 -0.864) 4.106 4.369 ( 1.089 -0.155 -2.416) 2.655 4.469 ( -1.091 -4.831 -1.049) 5.062 4.583 ( -1.618 1.293 -0.375) 2.105 4.733 ( -2.569 -3.906 -3.067) 5.591 5.236 ( 5.716 2.872 -0.731) 6.439 5.317 ( 5.779 -0.529 -3.567) 6.812 5.396 ( 0.914 1.552 2.204) 2.846 5.471 ( -1.168 -2.342 5.361) 5.966 5.601 ( 1.749 2.532 -0.827) 3.187 5.773 ( -2.260 -4.671 -0.172) 5.192 6.136 ( -2.070 8.898 5.202) 10.513 6.363 ( -1.674 5.754 -5.941) 8.439 6.485 ( -0.525 -6.688 1.967) 6.991 6.576 ( -0.337 -4.143 -2.228) 4.716 8.177 ( -0.250 0.357 0.049) 0.438 8.199 ( 0.056 -0.610 -1.010) 1.181 8.860 ( 0.009 1.964 1.909) 2.739 8.942 ( 0.025 -1.969 -1.630) 2.557 9.858 ( 0.043 0.344 0.015) 0.347 9.876 ( -0.017 -0.552 -0.535) 0.769 9.994 ( -0.035 0.477 -0.189) 0.514 10.022 ( 0.127 -0.974 -1.326) 1.650 ======================= Grid point 138 (72/100) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 1.220 -0.512 -1.082) 1.709 0.858 ( 1.197 -3.595 -0.141) 3.791 0.916 ( -0.051 2.113 -2.213) 3.060 0.988 ( -4.260 -2.511 -3.013) 5.791 1.031 ( 2.407 -1.287 -2.754) 3.878 1.077 ( 0.560 0.975 -3.419) 3.599 1.222 ( 2.578 0.932 3.745) 4.641 1.245 ( -3.898 -3.962 1.700) 5.812 1.616 ( -0.580 -0.492 -1.066) 1.309 1.632 ( -0.781 -0.475 -3.898) 4.003 1.776 ( 0.645 1.669 0.962) 2.031 1.846 ( 0.981 -0.423 -0.770) 1.317 1.900 ( 0.844 6.787 1.261) 6.954 1.960 ( -1.383 5.979 -1.197) 6.252 2.127 ( -2.843 -0.684 0.804) 3.033 2.138 ( -0.494 2.519 5.369) 5.951 2.204 ( 2.798 -2.359 0.198) 3.666 2.283 ( -4.957 -3.126 -2.338) 6.310 2.368 ( 0.866 2.575 -4.950) 5.647 2.410 ( 3.816 0.529 -5.672) 6.857 2.733 ( -1.780 -0.696 1.893) 2.690 2.770 ( 0.735 -1.579 1.099) 2.060 2.808 ( 2.922 -1.844 2.835) 4.469 2.847 ( -0.456 -4.428 0.846) 4.531 3.032 ( 0.324 -4.778 -0.028) 4.789 3.047 ( -1.021 -3.588 0.632) 3.783 3.455 ( -4.630 4.433 3.208) 7.168 3.568 ( 2.286 2.201 0.112) 3.175 3.637 ( -1.733 -2.188 1.172) 3.028 3.685 ( 1.095 -1.103 0.292) 1.581 4.127 ( -0.865 1.724 -0.290) 1.950 4.260 ( 5.020 -4.504 -4.542) 8.132 4.395 ( 0.399 0.563 -0.803) 1.059 4.418 ( -2.415 -1.065 -2.135) 3.395 4.588 ( 1.745 -2.215 0.745) 2.917 4.691 ( -1.126 -5.084 -3.313) 6.172 5.277 ( -2.073 2.499 1.180) 3.455 5.339 ( -2.317 0.553 -0.678) 2.477 5.415 ( -1.401 1.223 3.558) 4.014 5.483 ( 4.667 -2.386 3.238) 6.161 5.655 ( 1.705 -0.389 -1.337) 2.201 5.729 ( -1.264 -2.977 -2.010) 3.808 6.112 ( -0.448 9.040 4.428) 10.076 6.354 ( 1.182 5.036 -5.947) 7.882 6.475 ( -0.510 -6.247 2.056) 6.597 6.577 ( 0.614 -4.026 -2.682) 4.876 8.173 ( -0.198 0.470 0.100) 0.520 8.200 ( 0.145 -0.718 -1.010) 1.247 8.859 ( -0.184 1.957 2.002) 2.805 8.940 ( -0.165 -1.944 -1.525) 2.476 9.859 ( -0.011 0.227 0.103) 0.250 9.876 ( 0.098 -0.623 -0.691) 0.935 9.993 ( -0.077 0.537 -0.167) 0.567 10.025 ( 0.186 -1.137 -1.374) 1.793 ======================= Grid point 139 (73/100) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -3.433 1.542 -0.236) 3.771 0.861 ( -0.946 -6.194 -3.029) 6.960 0.910 ( -2.949 -1.256 -1.226) 3.432 0.943 ( 2.782 0.721 0.456) 2.910 1.058 ( 1.631 -2.100 -1.960) 3.303 1.121 ( 2.619 -0.355 -4.917) 5.582 1.229 ( 3.251 -0.375 3.787) 5.005 1.356 ( 8.380 -2.561 2.802) 9.200 1.599 ( 0.077 2.114 -0.237) 2.128 1.636 ( 0.465 0.271 -3.002) 3.050 1.741 ( -4.419 2.509 -0.040) 5.082 1.802 ( -5.182 1.461 -0.507) 5.408 1.835 ( -2.833 3.148 -3.137) 5.271 2.020 ( 1.885 3.263 1.001) 3.899 2.057 ( -2.063 0.607 2.372) 3.202 2.123 ( -1.948 3.669 4.073) 5.818 2.248 ( 1.426 -3.409 -1.368) 3.941 2.276 ( 3.034 -4.757 -0.834) 5.704 2.368 ( -0.008 3.506 -5.014) 6.118 2.470 ( 2.565 0.441 -4.412) 5.122 2.671 ( -2.868 -0.774 1.936) 3.546 2.738 ( -3.191 -4.087 0.555) 5.214 2.842 ( 2.587 -0.190 1.694) 3.098 2.909 ( 1.807 -3.454 1.452) 4.160 3.027 ( -0.507 -1.727 0.607) 1.900 3.074 ( 3.855 -4.541 0.233) 5.961 3.374 ( -3.425 2.610 2.001) 4.748 3.526 ( -4.829 -4.041 2.690) 6.847 3.631 ( -0.602 0.925 -0.169) 1.117 3.681 ( -1.463 -1.141 0.738) 1.997 4.167 ( 4.811 5.668 -1.646) 7.615 4.283 ( -2.569 0.507 -1.779) 3.166 4.407 ( 0.571 -1.674 1.057) 2.060 4.449 ( 6.576 -3.338 -5.255) 9.056 4.638 ( 3.511 -2.098 0.074) 4.091 4.692 ( 0.708 -4.753 -2.376) 5.360 5.170 ( -8.231 1.861 0.960) 8.493 5.256 ( -6.465 -0.847 -1.736) 6.748 5.411 ( 0.184 1.801 1.570) 2.396 5.505 ( -2.567 -4.462 3.967) 6.499 5.688 ( 3.485 1.018 -3.095) 4.770 5.737 ( 0.942 -0.792 0.592) 1.366 6.123 ( 1.386 8.439 4.276) 9.561 6.396 ( 2.911 4.860 -5.534) 7.920 6.471 ( 0.196 -6.588 1.891) 6.857 6.591 ( 0.633 -3.232 -2.189) 3.954 8.171 ( 0.043 0.477 0.046) 0.482 8.203 ( 0.131 -0.863 -0.958) 1.296 8.856 ( -0.229 1.952 2.054) 2.843 8.936 ( -0.160 -1.948 -1.472) 2.447 9.859 ( -0.003 0.371 -0.013) 0.371 9.878 ( 0.048 -0.538 -0.571) 0.786 9.991 ( -0.033 0.618 -0.192) 0.648 10.028 ( 0.099 -1.259 -1.396) 1.883 ======================= Grid point 140 (74/100) ======================= q-point: (-0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -3.639 3.392 2.176) 5.430 0.848 ( 0.214 -3.003 -4.766) 5.637 0.886 ( -0.030 -1.275 2.016) 2.385 1.016 ( 4.621 1.836 1.284) 5.136 1.073 ( -0.182 -3.721 -2.420) 4.443 1.161 ( 1.738 -0.293 -3.387) 3.819 1.329 ( 6.178 -0.104 4.766) 7.803 1.474 ( 2.741 -2.370 2.338) 4.312 1.596 ( -3.486 4.275 1.156) 5.636 1.636 ( 0.876 2.022 0.742) 2.325 1.687 ( 2.042 -0.803 -5.069) 5.524 1.732 ( -2.426 0.528 -0.644) 2.565 1.783 ( -1.966 1.769 -4.708) 5.400 1.960 ( -4.881 -2.762 -0.251) 5.614 2.075 ( 1.060 4.258 2.981) 5.305 2.112 ( 1.145 2.835 1.656) 3.477 2.263 ( -1.500 -0.883 -0.789) 1.911 2.276 ( -1.955 -1.119 -4.601) 5.123 2.392 ( 2.268 0.107 -2.108) 3.098 2.515 ( 2.266 0.979 -0.884) 2.622 2.649 ( 0.480 0.535 2.195) 2.309 2.706 ( -0.708 -1.468 0.490) 1.702 2.844 ( -1.782 -4.108 2.303) 5.035 2.922 ( -0.105 -4.504 -1.172) 4.655 3.038 ( 2.069 -0.316 1.132) 2.379 3.144 ( 2.307 -4.612 0.118) 5.158 3.343 ( 0.012 -0.606 1.508) 1.625 3.440 ( -3.892 -4.694 2.024) 6.425 3.602 ( -1.545 0.614 -0.099) 1.665 3.642 ( -2.345 -1.192 0.404) 2.662 4.237 ( -0.016 1.751 2.018) 2.672 4.294 ( 5.952 5.995 -2.028) 8.688 4.397 ( -0.799 -0.612 -0.544) 1.143 4.602 ( 8.271 -3.429 -4.394) 9.973 4.687 ( -2.085 -3.644 -0.641) 4.247 4.709 ( 3.674 -1.909 -1.010) 4.262 5.005 ( -8.209 1.715 -1.349) 8.494 5.118 ( -6.723 -1.662 -3.685) 7.845 5.406 ( -0.823 1.639 0.980) 2.079 5.453 ( -2.199 -2.324 1.223) 3.425 5.739 ( -0.113 0.250 1.651) 1.673 5.760 ( 2.648 -0.652 -0.225) 2.736 6.159 ( 1.990 7.768 4.954) 9.425 6.430 ( 0.529 5.370 -4.196) 6.835 6.492 ( 1.826 -7.271 1.006) 7.564 6.593 ( -0.304 -2.174 -1.563) 2.695 8.174 ( 0.244 0.370 -0.050) 0.446 8.204 ( 0.016 -0.927 -0.927) 1.311 8.853 ( -0.089 1.959 2.017) 2.813 8.935 ( 0.022 -1.970 -1.522) 2.490 9.861 ( 0.250 0.483 -0.123) 0.558 9.876 ( -0.296 -0.200 -0.393) 0.531 9.992 ( 0.048 0.638 -0.232) 0.681 10.028 ( -0.062 -1.232 -1.377) 1.849 ======================= Grid point 141 (75/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.421 -6.668 1.493) 6.846 0.759 ( 0.421 6.668 1.493) 6.846 0.975 ( 1.241 -5.744 -2.157) 6.260 0.975 ( 1.241 5.744 -2.157) 6.260 1.156 ( 0.476 -2.913 -0.954) 3.102 1.156 ( 0.476 2.913 -0.954) 3.102 1.420 ( 1.349 -3.031 1.722) 3.738 1.420 ( 1.349 3.031 1.722) 3.738 1.626 ( -2.575 -2.115 0.167) 3.337 1.626 ( -2.575 2.115 0.167) 3.337 1.695 ( 0.863 -1.169 -0.812) 1.664 1.695 ( 0.863 1.169 -0.812) 1.664 1.851 ( 0.141 -1.910 -4.759) 5.130 1.851 ( 0.141 1.910 -4.759) 5.130 2.130 ( -0.327 -0.512 0.905) 1.090 2.130 ( -0.327 0.512 0.905) 1.090 2.233 ( 0.912 -2.286 -3.195) 4.034 2.233 ( 0.912 2.286 -3.195) 4.034 2.520 ( 2.019 -4.370 1.850) 5.157 2.520 ( 2.019 4.370 1.850) 5.157 2.694 ( -0.952 -0.513 2.798) 3.000 2.694 ( -0.952 0.513 2.798) 3.000 2.775 ( -2.155 -2.810 -1.071) 3.700 2.775 ( -2.155 2.810 -1.071) 3.700 3.085 ( -0.001 -1.654 0.558) 1.746 3.085 ( -0.001 1.654 0.558) 1.746 3.355 ( 1.788 -0.623 0.981) 2.133 3.355 ( 1.788 0.623 0.981) 2.133 3.602 ( 0.203 -0.203 -0.280) 0.401 3.602 ( 0.203 0.203 -0.280) 0.401 4.292 ( 0.015 -2.884 2.077) 3.554 4.292 ( 0.015 2.884 2.077) 3.554 4.501 ( -4.740 -4.115 -4.569) 7.764 4.501 ( -4.740 4.115 -4.569) 7.764 4.715 ( 1.420 -2.766 0.221) 3.117 4.715 ( 1.420 2.766 0.221) 3.117 5.018 ( 3.674 -3.456 -4.281) 6.616 5.018 ( 3.674 3.456 -4.281) 6.616 5.408 ( -0.632 -0.474 0.720) 1.069 5.408 ( -0.632 0.474 0.720) 1.069 5.744 ( -1.139 -2.333 2.252) 3.436 5.744 ( -1.139 2.333 2.252) 3.436 6.350 ( 0.597 -8.075 3.894) 8.985 6.350 ( 0.597 8.075 3.894) 8.985 6.526 ( -0.800 -3.547 -3.964) 5.379 6.526 ( -0.800 3.547 -3.964) 5.379 8.187 ( 0.070 -0.617 -0.793) 1.007 8.187 ( 0.070 0.617 -0.793) 1.007 8.895 ( 0.160 -2.072 0.217) 2.090 8.895 ( 0.160 2.072 0.217) 2.090 9.870 ( -0.029 -0.111 -0.194) 0.226 9.870 ( -0.029 0.111 -0.194) 0.226 10.006 ( -0.012 -0.777 -0.927) 1.210 10.006 ( -0.012 0.777 -0.927) 1.210 ======================= Grid point 143 (76/100) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.258 -6.396 0.119) 6.402 0.765 ( 0.258 6.396 0.119) 6.402 0.986 ( 0.027 -4.264 -2.879) 5.145 0.986 ( 0.027 4.264 -2.879) 5.145 1.120 ( -3.384 -2.939 -1.632) 4.770 1.120 ( -3.384 2.939 -1.632) 4.770 1.420 ( -3.604 -4.537 1.251) 5.928 1.420 ( -3.604 4.537 1.251) 5.928 1.600 ( 1.021 -1.304 -0.221) 1.671 1.600 ( 1.021 1.304 -0.221) 1.671 1.706 ( 0.971 -0.837 -1.028) 1.643 1.706 ( 0.971 0.837 -1.028) 1.643 1.886 ( 3.459 -4.924 -1.918) 6.316 1.886 ( 3.459 4.924 -1.918) 6.316 2.135 ( 0.945 -0.307 0.683) 1.206 2.135 ( 0.945 0.307 0.683) 1.206 2.273 ( 2.951 -1.574 -3.627) 4.933 2.273 ( 2.951 1.574 -3.627) 4.933 2.496 ( -5.570 -3.110 -1.387) 6.528 2.496 ( -5.570 3.110 -1.387) 6.528 2.658 ( -0.494 -0.638 2.457) 2.586 2.658 ( -0.494 0.638 2.457) 2.586 2.785 ( 1.926 -1.297 2.038) 3.090 2.785 ( 1.926 1.297 2.038) 3.090 3.062 ( -2.338 -2.499 1.049) 3.579 3.062 ( -2.338 2.499 1.049) 3.579 3.429 ( 5.638 -1.628 -0.296) 5.875 3.429 ( 5.638 1.628 -0.296) 5.875 3.619 ( 1.168 -0.673 0.257) 1.373 3.619 ( 1.168 0.673 0.257) 1.373 4.268 ( -3.912 -2.404 1.880) 4.962 4.268 ( -3.912 2.404 1.880) 4.962 4.396 ( -3.310 -2.887 -2.524) 5.066 4.396 ( -3.310 2.887 -2.524) 5.066 4.706 ( -2.094 -3.709 -2.207) 4.797 4.706 ( -2.094 3.709 -2.207) 4.797 5.152 ( 8.746 -2.513 -4.161) 10.006 5.152 ( 8.746 2.513 -4.161) 10.006 5.408 ( 0.613 -0.964 1.750) 2.090 5.408 ( 0.613 0.964 1.750) 2.090 5.711 ( -2.152 -4.269 2.380) 5.341 5.711 ( -2.152 4.269 2.380) 5.341 6.346 ( -1.158 -8.326 3.693) 9.182 6.346 ( -1.158 8.326 3.693) 9.182 6.503 ( -1.303 -4.361 -3.960) 6.033 6.503 ( -1.303 4.361 -3.960) 6.033 8.188 ( -0.010 -0.489 -0.799) 0.936 8.188 ( -0.010 0.489 -0.799) 0.936 8.899 ( 0.195 -2.087 0.164) 2.102 8.899 ( 0.195 2.087 0.164) 2.102 9.869 ( -0.126 -0.374 -0.196) 0.440 9.869 ( -0.126 0.374 -0.196) 0.440 10.006 ( -0.005 -0.691 -0.925) 1.155 10.006 ( -0.005 0.691 -0.925) 1.155 ======================= Grid point 145 (77/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 1.204 -4.193 -1.996) 4.797 0.778 ( 1.204 4.193 -1.996) 4.797 0.975 ( -1.153 -2.224 -4.942) 5.540 0.975 ( -1.153 2.224 -4.942) 5.540 1.067 ( -1.453 -3.057 -0.457) 3.415 1.067 ( -1.453 3.057 -0.457) 3.415 1.302 ( -7.244 -2.433 0.730) 7.677 1.302 ( -7.244 2.433 0.730) 7.677 1.619 ( 0.277 -2.060 -2.703) 3.410 1.619 ( 0.277 2.060 -2.703) 3.410 1.758 ( 4.035 -1.674 1.188) 4.527 1.758 ( 4.035 1.674 1.188) 4.527 1.962 ( 4.251 -5.046 1.369) 6.739 1.962 ( 4.251 5.046 1.369) 6.739 2.149 ( -0.225 -0.961 0.413) 1.070 2.149 ( -0.225 0.961 0.413) 1.070 2.320 ( -1.291 -4.388 -4.681) 6.545 2.320 ( -1.291 4.388 -4.681) 6.545 2.362 ( -3.559 -2.461 -2.268) 4.886 2.362 ( -3.559 2.461 -2.268) 4.886 2.690 ( 3.315 -1.059 1.851) 3.942 2.690 ( 3.315 1.059 1.851) 3.942 2.804 ( -0.785 -1.997 2.656) 3.414 2.804 ( -0.785 1.997 2.656) 3.414 3.016 ( -1.992 -2.441 0.668) 3.221 3.016 ( -1.992 2.441 0.668) 3.221 3.536 ( 4.658 -1.360 0.976) 4.950 3.536 ( 4.658 1.360 0.976) 4.950 3.631 ( 0.072 -0.368 0.484) 0.612 3.631 ( 0.072 0.368 0.484) 0.612 4.179 ( -3.394 -0.680 -0.455) 3.491 4.179 ( -3.394 0.680 -0.455) 3.491 4.390 ( 1.283 -2.425 -1.503) 3.128 4.390 ( 1.283 2.425 -1.503) 3.128 4.647 ( -3.565 -4.249 -2.663) 6.152 4.647 ( -3.565 4.249 -2.663) 6.152 5.293 ( 5.535 -2.192 -2.464) 6.443 5.293 ( 5.535 2.192 -2.464) 6.443 5.426 ( 0.859 -1.740 3.761) 4.232 5.426 ( 0.859 1.740 3.761) 4.232 5.676 ( -1.270 -4.561 0.375) 4.749 5.676 ( -1.270 4.561 0.375) 4.749 6.317 ( -1.802 -8.593 2.812) 9.219 6.317 ( -1.802 8.593 2.812) 9.219 6.483 ( -0.509 -4.948 -3.633) 6.159 6.483 ( -0.509 4.948 -3.633) 6.159 8.187 ( -0.064 -0.550 -0.761) 0.941 8.187 ( -0.064 0.550 -0.761) 0.941 8.901 ( 0.022 -2.075 0.204) 2.085 8.901 ( 0.022 2.075 0.204) 2.085 9.866 ( -0.094 -0.448 -0.237) 0.515 9.866 ( -0.094 0.448 -0.237) 0.515 10.006 ( 0.024 -0.698 -0.942) 1.173 10.006 ( 0.024 0.698 -0.942) 1.173 ======================= Grid point 147 (78/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.255 -2.361 -3.609) 4.320 0.796 ( 0.255 2.361 -3.609) 4.320 0.942 ( -1.738 -1.892 -4.476) 5.161 0.942 ( -1.738 1.892 -4.476) 5.161 1.065 ( 0.280 -2.881 -0.885) 3.027 1.065 ( 0.280 2.881 -0.885) 3.027 1.211 ( -0.577 -1.293 1.623) 2.154 1.211 ( -0.577 1.293 1.623) 2.154 1.619 ( 0.164 -0.679 -3.538) 3.606 1.619 ( 0.164 0.679 -3.538) 3.606 1.819 ( 1.366 -2.167 3.135) 4.049 1.819 ( 1.366 2.167 3.135) 4.049 2.019 ( 0.001 -4.269 1.196) 4.434 2.019 ( 0.001 4.269 1.196) 4.434 2.121 ( -1.166 -4.113 -3.060) 5.258 2.121 ( -1.166 4.113 -3.060) 5.258 2.217 ( -3.585 -2.630 1.630) 4.736 2.217 ( -3.585 2.630 1.630) 4.736 2.407 ( 3.026 -1.138 -5.320) 6.225 2.407 ( 3.026 1.138 -5.320) 6.225 2.732 ( -2.520 -1.645 2.964) 4.224 2.732 ( -2.520 1.645 2.964) 4.224 2.792 ( 3.358 -0.395 0.348) 3.399 2.792 ( 3.358 0.395 0.348) 3.399 2.998 ( -0.039 -1.112 0.769) 1.353 2.998 ( -0.039 1.112 0.769) 1.353 3.539 ( -4.076 -3.624 3.645) 6.560 3.539 ( -4.076 3.624 3.645) 6.560 3.653 ( 1.715 -2.077 -0.445) 2.730 3.653 ( 1.715 2.077 -0.445) 2.730 4.179 ( 3.402 -3.380 -2.463) 5.391 4.179 ( 3.402 3.380 -2.463) 5.391 4.405 ( -0.322 -0.515 -1.383) 1.510 4.405 ( -0.322 0.515 -1.383) 1.510 4.598 ( -0.684 -3.301 -2.390) 4.132 4.598 ( -0.684 3.301 -2.390) 4.132 5.326 ( -2.451 -1.822 -0.253) 3.064 5.326 ( -2.451 1.822 -0.253) 3.064 5.441 ( 0.711 -1.597 4.717) 5.031 5.441 ( 0.711 1.597 4.717) 5.031 5.675 ( 1.265 -2.139 -1.960) 3.165 5.675 ( 1.265 2.139 -1.960) 3.165 6.292 ( -0.614 -8.496 2.200) 8.797 6.292 ( -0.614 8.496 2.200) 8.797 6.486 ( 0.971 -4.834 -3.460) 6.023 6.486 ( 0.971 4.834 -3.460) 6.023 8.185 ( -0.047 -0.730 -0.714) 1.023 8.185 ( -0.047 0.730 -0.714) 1.023 8.900 ( -0.172 -2.047 0.298) 2.075 8.900 ( -0.172 2.047 0.298) 2.075 9.866 ( 0.046 -0.430 -0.278) 0.514 9.866 ( 0.046 0.430 -0.278) 0.514 10.006 ( 0.040 -0.789 -0.959) 1.242 10.006 ( 0.040 0.789 -0.959) 1.242 ======================= Grid point 149 (79/100) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.876 -2.003 -2.433) 3.667 0.774 ( -1.876 2.003 -2.433) 3.667 0.926 ( 0.291 -2.504 -2.259) 3.385 0.926 ( 0.291 2.504 -2.259) 3.385 1.072 ( 1.252 -3.517 -1.656) 4.084 1.072 ( 1.252 3.517 -1.656) 4.084 1.281 ( 5.941 -4.540 1.915) 7.718 1.281 ( 5.941 4.540 1.915) 7.718 1.631 ( 1.273 -1.111 -3.715) 4.081 1.631 ( 1.273 1.111 -3.715) 4.081 1.788 ( -4.376 -1.914 1.568) 5.027 1.788 ( -4.376 1.914 1.568) 5.027 1.955 ( -4.539 -6.424 -0.788) 7.905 1.955 ( -4.539 6.424 -0.788) 7.905 2.133 ( 0.424 -4.147 -0.786) 4.242 2.133 ( 0.424 4.147 -0.786) 4.242 2.213 ( 2.522 -1.785 2.808) 4.175 2.213 ( 2.522 1.785 2.808) 4.175 2.442 ( 0.949 -2.997 -5.445) 6.287 2.442 ( 0.949 2.997 -5.445) 6.287 2.673 ( -2.009 -1.565 2.366) 3.476 2.673 ( -2.009 1.565 2.366) 3.476 2.857 ( 1.462 -1.722 0.627) 2.344 2.857 ( 1.462 1.722 0.627) 2.344 3.018 ( 2.341 -1.130 0.625) 2.673 3.018 ( 2.341 1.130 0.625) 2.673 3.442 ( -5.496 -3.944 2.844) 7.338 3.442 ( -5.496 3.944 2.844) 7.338 3.656 ( -1.344 -1.306 0.424) 1.921 3.656 ( -1.344 1.306 0.424) 1.921 4.268 ( 4.071 -3.280 -1.462) 5.428 4.268 ( 4.071 3.280 -1.462) 5.428 4.396 ( 1.674 -1.672 -3.735) 4.421 4.396 ( 1.674 1.672 -3.735) 4.421 4.623 ( 2.581 -1.286 -0.974) 3.044 4.623 ( 2.581 1.286 -0.974) 3.044 5.219 ( -8.085 -2.656 0.203) 8.512 5.219 ( -8.085 2.656 0.203) 8.512 5.445 ( -0.526 -1.901 2.325) 3.049 5.445 ( -0.526 1.901 2.325) 3.049 5.713 ( 2.331 -1.421 -0.568) 2.788 5.713 ( 2.331 1.421 -0.568) 2.788 6.298 ( 1.026 -8.599 2.471) 9.006 6.298 ( 1.026 8.599 2.471) 9.006 6.511 ( 1.501 -4.621 -3.577) 6.033 6.511 ( 1.501 4.621 -3.577) 6.033 8.185 ( 0.034 -0.840 -0.706) 1.098 8.185 ( 0.034 0.840 -0.706) 1.098 8.896 ( -0.196 -2.032 0.349) 2.071 8.896 ( -0.196 2.032 0.349) 2.071 9.867 ( 0.136 -0.512 -0.272) 0.596 9.867 ( 0.136 0.512 -0.272) 0.596 10.006 ( 0.038 -0.873 -0.961) 1.299 10.006 ( 0.038 0.873 -0.961) 1.299 ======================= Grid point 151 (80/100) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.151 -4.604 0.615) 4.647 0.753 ( -0.151 4.604 0.615) 4.647 0.946 ( 1.664 -5.113 -1.891) 5.700 0.946 ( 1.664 5.113 -1.891) 5.700 1.114 ( 2.964 -4.018 -1.131) 5.119 1.114 ( 2.964 4.018 -1.131) 5.119 1.380 ( 3.774 -4.994 2.123) 6.610 1.380 ( 3.774 4.994 2.123) 6.610 1.654 ( 0.408 -1.920 -2.418) 3.114 1.654 ( 0.408 1.920 -2.418) 3.114 1.704 ( -3.067 -3.281 -0.642) 4.537 1.704 ( -3.067 3.281 -0.642) 4.537 1.880 ( -2.992 -5.305 -2.252) 6.493 1.880 ( -2.992 5.305 -2.252) 6.493 2.134 ( -0.063 -1.433 0.759) 1.623 2.134 ( -0.063 1.433 0.759) 1.623 2.240 ( -0.472 -0.998 -0.910) 1.431 2.240 ( -0.472 0.998 -0.910) 1.431 2.467 ( 2.587 -4.819 -0.883) 5.540 2.467 ( 2.587 4.819 -0.883) 5.540 2.675 ( 1.567 -1.658 2.234) 3.193 2.675 ( 1.567 1.658 2.234) 3.193 2.837 ( -2.960 -3.112 -0.405) 4.314 2.837 ( -2.960 3.112 -0.405) 4.314 3.067 ( 1.973 -2.793 0.513) 3.458 3.067 ( 1.973 2.793 0.513) 3.458 3.362 ( -2.571 -2.580 1.979) 4.145 3.362 ( -2.571 2.580 1.979) 4.145 3.620 ( -1.953 -1.004 0.198) 2.204 3.620 ( -1.953 1.004 0.198) 2.204 4.291 ( -0.059 -3.385 1.223) 3.599 4.291 ( -0.059 3.385 1.223) 3.599 4.491 ( 5.650 -6.892 -6.929) 11.289 4.491 ( 5.650 6.892 -6.929) 11.289 4.671 ( 2.410 -1.435 1.184) 3.044 4.671 ( 2.410 1.435 1.184) 3.044 5.062 ( -7.180 -3.443 -1.680) 8.138 5.062 ( -7.180 3.443 -1.680) 8.138 5.427 ( -1.243 -0.753 0.833) 1.675 5.427 ( -1.243 0.753 0.833) 1.675 5.746 ( 0.901 -0.568 1.168) 1.580 5.746 ( 0.901 0.568 1.168) 1.580 6.326 ( 1.622 -8.489 3.301) 9.252 6.326 ( 1.622 8.489 3.301) 9.252 6.530 ( 0.539 -4.031 -3.765) 5.542 6.530 ( 0.539 4.031 -3.765) 5.542 8.186 ( 0.098 -0.785 -0.747) 1.088 8.186 ( 0.098 0.785 -0.747) 1.088 8.894 ( -0.037 -2.045 0.309) 2.069 8.894 ( -0.037 2.045 0.309) 2.069 9.870 ( 0.092 -0.396 -0.229) 0.467 9.870 ( 0.092 0.396 -0.229) 0.467 10.007 ( 0.016 -0.868 -0.946) 1.284 10.007 ( 0.016 0.868 -0.946) 1.284 ======================= Grid point 171 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 4.025 0.000 -8.928) 9.793 0.805 ( -4.025 0.000 8.928) 9.793 0.983 ( -1.741 0.000 -10.554) 10.697 0.983 ( 1.741 0.000 10.554) 10.697 1.264 ( 0.413 0.000 -3.032) 3.060 1.264 ( -0.413 0.000 3.032) 3.060 1.418 ( 0.308 0.000 -6.836) 6.843 1.418 ( -0.308 0.000 6.836) 6.843 1.529 ( -2.172 0.000 -3.345) 3.988 1.529 ( 2.172 0.000 3.345) 3.988 1.745 ( -1.621 0.000 -3.384) 3.752 1.745 ( 1.621 0.000 3.384) 3.752 1.934 ( -3.609 0.000 1.191) 3.801 1.934 ( 3.609 0.000 -1.191) 3.801 2.038 ( -2.887 0.000 -3.945) 4.888 2.038 ( 2.887 0.000 3.945) 4.888 2.232 ( -2.291 0.000 -1.908) 2.982 2.232 ( 2.291 0.000 1.908) 2.982 2.249 ( 3.616 0.000 -2.041) 4.153 2.249 ( -3.616 0.000 2.041) 4.153 2.680 ( -1.599 0.000 0.383) 1.644 2.680 ( 1.599 0.000 -0.383) 1.644 3.280 ( -5.259 0.000 1.685) 5.523 3.280 ( 5.259 0.000 -1.685) 5.523 3.321 ( -0.244 0.000 -0.861) 0.895 3.321 ( 0.244 0.000 0.861) 0.895 3.409 ( -5.817 0.000 -2.088) 6.180 3.409 ( 5.817 0.000 2.088) 6.180 3.671 ( 2.964 0.000 -3.860) 4.867 3.671 ( -2.964 0.000 3.860) 4.867 4.095 ( -4.704 0.000 -0.963) 4.801 4.095 ( 4.704 0.000 0.963) 4.801 4.715 ( 4.040 0.000 -3.683) 5.467 4.715 ( -4.040 0.000 3.683) 5.467 4.843 ( 4.440 0.000 -6.549) 7.912 4.843 ( -4.440 0.000 6.549) 7.912 4.971 ( -10.244 0.000 -1.676) 10.381 4.971 ( 10.244 0.000 1.676) 10.381 5.400 ( -1.524 0.000 -5.684) 5.885 5.400 ( 1.524 0.000 5.684) 5.885 5.727 ( -0.218 0.000 -0.274) 0.350 5.727 ( 0.218 0.000 0.274) 0.350 6.078 ( -2.285 0.000 -0.596) 2.362 6.078 ( 2.285 0.000 0.596) 2.362 6.671 ( -0.560 0.000 -5.124) 5.155 6.671 ( 0.560 0.000 5.124) 5.155 8.209 ( -0.038 0.000 -1.001) 1.001 8.209 ( 0.038 0.000 1.001) 1.001 8.888 ( 0.008 0.000 -5.637) 5.637 8.888 ( -0.008 0.000 5.637) 5.637 9.839 ( 0.022 0.000 -0.858) 0.858 9.839 ( -0.022 0.000 0.858) 0.858 10.033 ( -0.392 0.000 -2.868) 2.895 10.033 ( 0.392 0.000 2.868) 2.895 ======================= Grid point 173 (82/100) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -2.547 0.000 12.340) 12.600 0.836 ( 0.308 0.000 -7.269) 7.276 0.972 ( 1.189 0.000 -9.878) 9.949 1.045 ( 4.246 0.000 9.064) 10.009 1.240 ( -2.622 0.000 -2.548) 3.656 1.246 ( -1.439 0.000 3.846) 4.107 1.412 ( -2.575 0.000 -1.874) 3.185 1.432 ( 0.497 0.000 4.863) 4.889 1.534 ( 2.988 0.000 -6.758) 7.389 1.597 ( 3.826 0.000 -2.710) 4.688 1.742 ( 1.190 0.000 1.329) 1.784 1.809 ( 4.717 0.000 5.654) 7.363 1.830 ( -5.667 0.000 -1.948) 5.993 1.922 ( -4.412 0.000 -0.933) 4.510 1.989 ( -1.617 0.000 -1.642) 2.304 2.071 ( 0.237 0.000 -2.291) 2.304 2.205 ( -0.176 0.000 -4.151) 4.155 2.242 ( -1.700 0.000 -0.208) 1.712 2.245 ( 3.284 0.000 4.258) 5.377 2.341 ( 4.614 0.000 2.894) 5.446 2.629 ( -2.958 0.000 0.149) 2.962 2.669 ( -2.321 0.000 0.430) 2.361 3.186 ( -2.605 0.000 0.994) 2.788 3.225 ( -6.670 0.000 -1.458) 6.828 3.246 ( -6.121 0.000 -1.537) 6.311 3.369 ( -0.345 0.000 -1.861) 1.893 3.377 ( 2.467 0.000 2.785) 3.720 3.490 ( 0.464 0.000 1.439) 1.512 3.662 ( 1.777 0.000 3.995) 4.373 3.735 ( 3.125 0.000 -2.502) 4.004 4.073 ( 3.383 0.000 -3.897) 5.160 4.204 ( 6.015 0.000 -0.582) 6.043 4.611 ( -5.539 0.000 5.441) 7.764 4.692 ( -5.908 0.000 1.132) 6.016 4.800 ( -1.223 0.000 4.703) 4.860 4.842 ( -2.438 0.000 -6.689) 7.119 4.979 ( 8.302 0.000 -4.813) 9.597 5.178 ( 10.355 0.000 2.656) 10.691 5.394 ( 1.513 0.000 -5.400) 5.608 5.428 ( 0.474 0.000 3.554) 3.586 5.703 ( -1.877 0.000 0.468) 1.935 5.721 ( 0.288 0.000 1.593) 1.619 6.022 ( -3.603 0.000 -0.743) 3.679 6.106 ( 0.588 0.000 1.050) 1.204 6.664 ( -0.047 0.000 -3.753) 3.754 6.680 ( 0.008 0.000 3.158) 3.158 8.207 ( -0.123 0.000 -1.129) 1.136 8.208 ( -0.137 0.000 0.928) 0.938 8.886 ( 0.049 0.000 -5.668) 5.668 8.889 ( -0.093 0.000 5.610) 5.611 9.847 ( 0.724 0.000 1.079) 1.299 9.848 ( 0.878 0.000 -1.095) 1.404 10.028 ( -0.058 0.000 -2.505) 2.506 10.041 ( 0.294 0.000 3.152) 3.165 ======================= Grid point 174 (83/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 5.439 0.000 8.910) 10.439 0.864 ( 3.369 0.000 -5.941) 6.830 1.025 ( 4.401 0.000 -8.389) 9.474 1.119 ( 2.005 0.000 6.387) 6.694 1.184 ( -3.068 0.000 -1.209) 3.297 1.207 ( -2.581 0.000 1.504) 2.987 1.304 ( -7.165 0.000 3.182) 7.840 1.387 ( -5.748 0.000 3.397) 6.677 1.618 ( 5.334 0.000 -0.856) 5.402 1.623 ( 0.225 0.000 -7.119) 7.122 1.751 ( -2.982 0.000 2.120) 3.659 1.783 ( -0.660 0.000 -3.476) 3.539 1.856 ( 0.869 0.000 2.612) 2.753 1.889 ( 3.243 0.000 -3.797) 4.993 2.011 ( 4.188 0.000 8.715) 9.669 2.074 ( 0.569 0.000 -7.338) 7.360 2.165 ( -5.749 0.000 3.329) 6.643 2.182 ( -2.422 0.000 -7.562) 7.941 2.326 ( 3.189 0.000 3.349) 4.625 2.386 ( -0.317 0.000 4.592) 4.603 2.609 ( 1.730 0.000 -0.498) 1.801 2.649 ( 0.937 0.000 1.360) 1.652 3.093 ( -6.434 0.000 -0.282) 6.440 3.100 ( -6.282 0.000 -4.400) 7.670 3.232 ( 4.258 0.000 -0.115) 4.260 3.362 ( -0.169 0.000 -3.015) 3.020 3.389 ( -0.882 0.000 4.056) 4.151 3.443 ( -4.666 0.000 2.752) 5.417 3.705 ( 2.451 0.000 3.517) 4.287 3.769 ( 0.384 0.000 -2.202) 2.235 4.194 ( 7.890 0.000 -5.718) 9.744 4.297 ( 3.445 0.000 -0.285) 3.457 4.529 ( -3.335 0.000 4.727) 5.784 4.572 ( -5.884 0.000 2.118) 6.254 4.787 ( -0.415 0.000 4.939) 4.956 4.811 ( -1.300 0.000 -6.820) 6.943 5.121 ( 6.822 0.000 -3.077) 7.484 5.306 ( 1.393 0.000 1.453) 2.013 5.411 ( -0.624 0.000 2.512) 2.589 5.437 ( 1.984 0.000 -4.650) 5.055 5.690 ( 1.463 0.000 -0.164) 1.472 5.768 ( 3.270 0.000 3.079) 4.492 5.962 ( -1.439 0.000 -1.677) 2.209 6.093 ( -2.393 0.000 1.762) 2.972 6.663 ( -0.102 0.000 -0.757) 0.764 6.672 ( -0.776 0.000 0.341) 0.848 8.205 ( -0.028 0.000 -1.144) 1.145 8.206 ( -0.119 0.000 0.949) 0.956 8.886 ( 0.130 0.000 -5.649) 5.651 8.888 ( -0.161 0.000 5.622) 5.624 9.861 ( 0.669 0.000 1.370) 1.524 9.864 ( 0.702 0.000 -1.465) 1.624 10.030 ( 0.416 0.000 -2.457) 2.492 10.044 ( -0.129 0.000 3.089) 3.092 ======================= Grid point 175 (84/100) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -4.364 0.000 -2.247) 4.909 0.886 ( 4.364 0.000 2.247) 4.909 1.096 ( 1.835 0.000 -3.822) 4.239 1.096 ( -1.835 0.000 3.822) 4.239 1.148 ( -2.115 0.000 -3.106) 3.758 1.148 ( 2.115 0.000 3.106) 3.758 1.279 ( -3.996 0.000 -4.970) 6.377 1.279 ( 3.996 0.000 4.970) 6.377 1.653 ( 3.021 0.000 -5.260) 6.066 1.653 ( -3.021 0.000 5.260) 6.066 1.734 ( -3.887 0.000 -2.028) 4.384 1.734 ( 3.887 0.000 2.028) 4.384 1.911 ( -1.931 0.000 -6.128) 6.425 1.911 ( 1.931 0.000 6.128) 6.425 2.085 ( 1.422 0.000 -7.623) 7.754 2.085 ( -1.422 0.000 7.623) 7.754 2.109 ( -4.598 0.000 -8.809) 9.937 2.109 ( 4.598 0.000 8.809) 9.937 2.361 ( 1.552 0.000 -2.680) 3.096 2.361 ( -1.552 0.000 2.680) 3.096 2.660 ( 1.499 0.000 -1.104) 1.862 2.660 ( -1.499 0.000 1.104) 1.862 3.024 ( -0.266 0.000 -2.455) 2.469 3.024 ( 0.266 0.000 2.455) 2.469 3.337 ( 6.185 0.000 -2.328) 6.608 3.337 ( -6.185 0.000 2.328) 6.608 3.369 ( 1.069 0.000 -4.100) 4.237 3.369 ( -1.069 0.000 4.100) 4.237 3.751 ( -2.001 0.000 -2.804) 3.445 3.751 ( 2.001 0.000 2.804) 3.445 4.308 ( 3.174 0.000 -3.540) 4.754 4.308 ( -3.174 0.000 3.540) 4.754 4.501 ( -0.927 0.000 -1.327) 1.619 4.501 ( 0.927 0.000 1.327) 1.619 4.790 ( -0.593 0.000 -6.020) 6.049 4.790 ( 0.593 0.000 6.020) 6.049 5.240 ( -5.917 0.000 0.666) 5.954 5.240 ( 5.917 0.000 -0.666) 5.954 5.437 ( -1.512 0.000 -3.977) 4.255 5.437 ( 1.512 0.000 3.977) 4.255 5.754 ( 4.088 0.000 -2.125) 4.608 5.754 ( -4.088 0.000 2.125) 4.608 6.015 ( 5.436 0.000 -2.099) 5.827 6.015 ( -5.436 0.000 2.099) 5.827 6.662 ( -0.161 0.000 -0.763) 0.780 6.662 ( 0.161 0.000 0.763) 0.780 8.205 ( 0.044 0.000 -1.040) 1.041 8.205 ( -0.044 0.000 1.040) 1.041 8.887 ( 0.163 0.000 -5.629) 5.632 8.887 ( -0.163 0.000 5.629) 5.632 9.870 ( -0.078 0.000 -1.521) 1.523 9.870 ( 0.078 0.000 1.521) 1.523 10.039 ( 0.499 0.000 -2.762) 2.806 10.039 ( -0.499 0.000 2.762) 2.806 ======================= Grid point 179 (85/100) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.740 0.941 -5.622) 6.324 0.832 ( -2.740 0.941 5.622) 6.324 0.916 ( -0.171 -3.616 -8.430) 9.175 0.916 ( 0.171 -3.616 8.430) 9.175 1.239 ( 1.437 -2.859 -4.075) 5.181 1.239 ( -1.437 -2.859 4.075) 5.181 1.451 ( -2.005 2.091 -1.778) 3.400 1.451 ( 2.005 2.091 1.778) 3.400 1.532 ( -0.775 1.227 -5.913) 6.088 1.532 ( 0.775 1.227 5.913) 6.088 1.731 ( -0.016 -1.397 -3.145) 3.442 1.731 ( 0.016 -1.397 3.145) 3.442 1.927 ( -3.291 -1.625 -2.229) 4.294 1.927 ( 3.291 -1.625 2.229) 4.294 2.048 ( -2.202 1.545 -0.946) 2.851 2.048 ( 2.202 1.545 0.946) 2.851 2.186 ( -0.168 -1.485 -3.795) 4.079 2.186 ( 0.168 -1.485 3.795) 4.079 2.318 ( 1.091 4.025 -3.694) 5.571 2.318 ( -1.091 4.025 3.694) 5.571 2.673 ( -0.489 -0.401 -0.450) 0.776 2.673 ( 0.489 -0.401 0.450) 0.776 3.198 ( 3.786 -7.490 -3.307) 9.020 3.198 ( -3.786 -7.490 3.307) 9.020 3.284 ( -2.068 -2.561 -2.391) 4.069 3.284 ( 2.068 -2.561 2.391) 4.069 3.438 ( -1.907 1.382 -0.514) 2.411 3.438 ( 1.907 1.382 0.514) 2.411 3.656 ( 1.953 -1.461 -2.869) 3.765 3.656 ( -1.953 -1.461 2.869) 3.765 4.135 ( -5.252 3.582 -0.431) 6.372 4.135 ( 5.252 3.582 0.431) 6.372 4.708 ( 1.028 -0.885 -1.891) 2.328 4.708 ( -1.028 -0.885 1.891) 2.328 4.778 ( 3.238 -5.247 -7.979) 10.083 4.778 ( -3.238 -5.247 7.979) 10.083 4.958 ( -2.634 -1.404 -4.016) 5.004 4.958 ( 2.634 -1.404 4.016) 5.004 5.396 ( -1.212 0.129 -5.158) 5.300 5.396 ( 1.212 0.129 5.158) 5.300 5.754 ( 2.551 1.911 -1.706) 3.615 5.754 ( -2.551 1.911 1.706) 3.615 6.109 ( -1.365 2.964 -3.373) 4.693 6.109 ( 1.365 2.964 3.373) 4.693 6.665 ( -0.151 -0.845 -4.243) 4.329 6.665 ( 0.151 -0.845 4.243) 4.329 8.207 ( -0.135 -0.236 -1.111) 1.143 8.207 ( 0.135 -0.236 1.111) 1.143 8.890 ( 0.046 0.197 -5.247) 5.251 8.890 ( -0.046 0.197 5.247) 5.251 9.845 ( -0.073 0.523 -0.650) 0.837 9.845 ( 0.073 0.523 0.650) 0.837 10.027 ( -0.329 -0.611 -2.565) 2.657 10.027 ( 0.329 -0.611 2.565) 2.657 ======================= Grid point 181 (86/100) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -2.109 3.850 10.239) 11.141 0.850 ( -0.101 0.195 -9.311) 9.314 0.934 ( 3.023 -3.898 -2.099) 5.361 0.962 ( 3.209 -4.448 5.270) 7.606 1.212 ( -1.359 -3.782 5.464) 6.783 1.236 ( -1.829 -1.341 -3.056) 3.806 1.400 ( -4.192 -0.337 -2.455) 4.870 1.484 ( 0.531 3.750 2.600) 4.594 1.547 ( 3.041 1.198 -5.369) 6.285 1.565 ( 0.840 -1.867 -1.121) 2.334 1.723 ( 1.342 -0.768 2.669) 3.085 1.774 ( 1.265 -2.758 -0.183) 3.040 1.819 ( -3.588 -2.470 -1.320) 4.552 1.965 ( -2.509 1.826 -1.517) 3.454 2.008 ( -0.638 2.317 -0.121) 2.406 2.078 ( 0.961 2.469 -0.781) 2.762 2.179 ( 0.481 -2.631 -4.581) 5.305 2.227 ( 3.760 -0.132 4.489) 5.857 2.308 ( -0.692 4.445 1.027) 4.615 2.357 ( 1.829 1.337 2.236) 3.184 2.630 ( -2.086 0.727 1.630) 2.745 2.679 ( -0.325 0.301 0.105) 0.456 3.126 ( -3.638 -6.065 -0.219) 7.076 3.194 ( -5.714 -2.667 -1.322) 6.443 3.221 ( -1.889 -2.087 -1.494) 3.187 3.289 ( -0.017 -5.957 -0.319) 5.966 3.400 ( -1.422 0.699 1.116) 1.938 3.497 ( 1.010 0.634 1.490) 1.909 3.654 ( 2.272 -1.123 2.155) 3.327 3.716 ( 3.012 -1.640 -1.830) 3.887 4.081 ( 1.105 1.118 -3.097) 3.473 4.241 ( 4.984 2.773 -1.248) 5.838 4.585 ( -6.951 -2.538 6.631) 9.936 4.649 ( -6.298 -3.972 0.702) 7.479 4.774 ( 1.109 -1.934 -2.606) 3.430 4.789 ( -2.046 -3.853 -2.013) 4.804 5.004 ( 8.428 1.984 -2.718) 9.075 5.150 ( 11.070 -3.558 1.751) 11.759 5.375 ( -0.607 -0.385 -1.940) 2.069 5.452 ( 4.133 1.242 2.531) 5.003 5.683 ( -4.192 0.163 2.045) 4.667 5.775 ( 0.106 2.740 -1.245) 3.011 6.054 ( -3.509 3.144 -2.236) 5.215 6.128 ( -0.107 2.265 2.631) 3.473 6.660 ( -0.172 -0.764 -1.576) 1.760 6.668 ( -0.090 -1.167 1.109) 1.612 8.203 ( -0.222 -0.364 -1.142) 1.219 8.208 ( -0.130 -0.160 1.035) 1.055 8.888 ( 0.006 0.219 -1.730) 1.744 8.892 ( 0.066 0.275 1.574) 1.600 9.845 ( 0.440 0.128 0.060) 0.462 9.858 ( 0.853 0.614 -0.086) 1.055 10.022 ( -0.045 -0.537 -2.272) 2.335 10.033 ( 0.243 -0.726 2.778) 2.882 ======================= Grid point 182 (87/100) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 3.895 2.992 8.281) 9.628 0.879 ( 3.386 0.882 -7.161) 7.970 0.991 ( 3.227 -2.654 -5.581) 6.972 1.037 ( 3.285 -6.625 6.765) 10.023 1.175 ( -3.383 -1.695 -1.408) 4.037 1.201 ( -0.026 -2.385 5.433) 5.934 1.272 ( -8.533 -1.345 -1.639) 8.793 1.429 ( -7.153 2.850 1.848) 7.918 1.560 ( 2.189 -2.425 -1.142) 3.461 1.647 ( 5.600 1.180 -2.551) 6.266 1.735 ( -2.061 -1.235 0.901) 2.567 1.773 ( -0.130 -1.520 -1.542) 2.170 1.811 ( 0.780 -5.032 -3.598) 6.235 1.890 ( -3.193 1.865 -0.627) 3.751 2.048 ( 4.189 3.420 0.789) 5.465 2.104 ( 1.920 3.279 0.825) 3.888 2.178 ( -0.742 0.742 -4.892) 5.003 2.249 ( -4.614 4.959 -0.502) 6.792 2.304 ( 2.884 -1.818 4.397) 5.563 2.374 ( -0.588 -1.150 4.135) 4.332 2.637 ( 3.010 2.664 2.460) 4.712 2.695 ( 2.271 3.128 -0.884) 3.965 3.020 ( -6.092 -5.372 -2.420) 8.475 3.087 ( -6.572 -2.164 -1.016) 6.993 3.227 ( 3.284 -0.924 0.018) 3.412 3.290 ( 0.188 -6.067 -3.166) 6.846 3.373 ( -1.305 -1.187 2.288) 2.889 3.465 ( -3.980 1.993 2.738) 5.225 3.704 ( 2.462 -0.778 2.020) 3.278 3.751 ( 0.705 -1.531 -1.616) 2.335 4.172 ( 7.188 -1.907 -5.372) 9.174 4.307 ( 1.881 0.462 -0.744) 2.075 4.479 ( -4.119 -4.402 7.149) 9.352 4.541 ( -5.067 -2.528 -0.589) 5.693 4.762 ( -0.677 -2.889 -1.063) 3.152 4.778 ( -0.573 -1.551 -1.115) 1.994 5.152 ( 6.947 2.408 -2.009) 7.622 5.324 ( 5.552 0.334 1.091) 5.668 5.354 ( -0.652 -2.764 -1.897) 3.415 5.500 ( -1.483 3.521 1.665) 4.168 5.672 ( 4.381 -2.038 2.151) 5.290 5.776 ( 0.283 1.109 -0.511) 1.253 5.994 ( -1.851 3.286 -3.441) 5.105 6.101 ( -3.057 1.184 3.579) 4.853 6.654 ( -0.375 -1.289 -0.136) 1.349 6.661 ( -0.567 -0.929 -0.285) 1.125 8.200 ( -0.030 -0.427 -1.121) 1.200 8.204 ( -0.222 -0.226 1.012) 1.060 8.889 ( 0.129 0.303 -1.545) 1.580 8.893 ( -0.062 0.367 1.412) 1.460 9.858 ( 0.776 -0.129 0.137) 0.798 9.871 ( 0.338 0.334 -0.206) 0.518 10.024 ( 0.358 -0.574 -2.238) 2.339 10.036 ( -0.111 -0.773 2.732) 2.841 ======================= Grid point 183 (88/100) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -4.120 0.680 -2.945) 5.109 0.893 ( 4.120 0.680 2.945) 5.109 1.045 ( 2.318 -4.453 -6.580) 8.276 1.045 ( -2.318 -4.453 6.580) 8.276 1.144 ( -2.634 -1.368 -1.533) 3.341 1.144 ( 2.634 -1.368 1.533) 3.341 1.277 ( -5.916 -0.080 -3.612) 6.932 1.277 ( 5.916 -0.080 3.612) 6.932 1.639 ( -2.392 -0.623 -3.849) 4.574 1.639 ( 2.392 -0.623 3.849) 4.574 1.745 ( -2.561 0.742 -2.121) 3.407 1.745 ( 2.561 0.742 2.121) 3.407 1.842 ( -0.009 -4.008 -5.068) 6.461 1.842 ( 0.009 -4.008 5.068) 6.461 2.124 ( 1.831 3.394 -7.228) 8.192 2.124 ( -1.831 3.394 7.228) 8.192 2.171 ( -1.003 4.009 -7.310) 8.398 2.171 ( 1.003 4.009 7.310) 8.398 2.345 ( 1.298 -1.652 -1.430) 2.541 2.345 ( -1.298 -1.652 1.430) 2.541 2.708 ( -2.571 3.922 -2.556) 5.341 2.708 ( 2.571 3.922 2.556) 5.341 2.979 ( -1.807 -3.874 -0.987) 4.387 2.979 ( 1.807 -3.874 0.987) 4.387 3.286 ( -1.324 -4.827 -2.329) 5.521 3.286 ( 1.324 -4.827 2.329) 5.521 3.383 ( -1.696 1.660 0.267) 2.388 3.383 ( 1.696 1.660 -0.267) 2.388 3.742 ( -1.405 -0.992 -1.866) 2.537 3.742 ( 1.405 -0.992 1.866) 2.537 4.289 ( 2.890 -2.184 -5.388) 6.493 4.289 ( -2.890 -2.184 5.388) 6.493 4.464 ( -2.390 -2.987 -2.583) 4.616 4.464 ( 2.390 -2.987 2.583) 4.616 4.763 ( 0.045 -2.062 -4.792) 5.217 4.763 ( -0.045 -2.062 4.792) 5.217 5.267 ( -5.160 1.927 -0.093) 5.509 5.267 ( 5.160 1.927 0.093) 5.509 5.440 ( 0.250 0.120 -4.425) 4.433 5.440 ( -0.250 0.120 4.425) 4.433 5.757 ( -1.644 -0.130 -1.758) 2.411 5.757 ( 1.644 -0.130 1.758) 2.411 6.022 ( 3.162 1.461 -5.020) 6.111 6.022 ( -3.162 1.461 5.020) 6.111 6.652 ( 0.130 -1.123 -0.763) 1.364 6.652 ( -0.130 -1.123 0.763) 1.364 8.201 ( 0.142 -0.364 -1.150) 1.214 8.201 ( -0.142 -0.364 1.150) 1.214 8.891 ( 0.124 0.374 -5.204) 5.219 8.891 ( -0.124 0.374 5.204) 5.219 9.870 ( -0.084 -0.015 -1.311) 1.314 9.870 ( 0.084 -0.015 1.311) 1.314 10.031 ( 0.418 -0.697 -2.483) 2.613 10.031 ( -0.418 -0.697 2.483) 2.613 ======================= Grid point 187 (89/100) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.397 -3.675 -8.676) 9.430 0.765 ( -0.397 -3.675 8.676) 9.430 0.954 ( 1.125 3.902 -3.545) 5.390 0.954 ( -1.125 3.902 3.545) 5.390 1.156 ( 2.819 -4.469 -4.300) 6.813 1.156 ( -2.819 -4.469 4.300) 6.813 1.489 ( -3.813 1.173 0.185) 3.994 1.489 ( 3.813 1.173 -0.185) 3.994 1.573 ( -2.084 2.524 -2.961) 4.414 1.573 ( 2.084 2.524 2.961) 4.414 1.691 ( 0.882 -2.088 -2.451) 3.338 1.691 ( -0.882 -2.088 2.451) 3.338 1.867 ( -6.440 -3.761 -3.953) 8.440 1.867 ( 6.440 -3.761 3.953) 8.440 2.105 ( -0.521 3.778 -2.195) 4.400 2.105 ( 0.521 3.778 2.195) 4.400 2.177 ( -1.652 0.091 -2.864) 3.307 2.177 ( 1.652 0.091 2.864) 3.307 2.396 ( 1.396 3.502 -3.238) 4.969 2.396 ( -1.396 3.502 3.238) 4.969 2.676 ( 0.207 0.875 -1.097) 1.418 2.676 ( -0.207 0.875 1.097) 1.418 3.028 ( 2.589 -8.620 -2.725) 9.404 3.028 ( -2.589 -8.620 2.725) 9.404 3.210 ( -2.757 -4.519 -2.461) 5.837 3.210 ( 2.757 -4.519 2.461) 5.837 3.442 ( -3.066 -1.284 -0.672) 3.392 3.442 ( 3.066 -1.284 0.672) 3.392 3.621 ( -1.051 -1.596 -0.895) 2.111 3.621 ( 1.051 -1.596 0.895) 2.111 4.222 ( 1.707 4.685 -1.161) 5.120 4.222 ( -1.707 4.685 1.161) 5.120 4.620 ( -1.559 -7.465 -10.218) 12.750 4.620 ( 1.559 -7.465 10.218) 12.750 4.717 ( 3.961 -0.581 -2.930) 4.960 4.717 ( -3.961 -0.581 2.930) 4.960 4.939 ( 0.219 0.095 -5.084) 5.090 4.939 ( -0.219 0.095 5.084) 5.090 5.409 ( -0.919 0.785 -3.129) 3.354 5.409 ( 0.919 0.785 3.129) 3.354 5.778 ( 3.119 0.346 -3.398) 4.626 5.778 ( -3.119 0.346 3.398) 4.626 6.193 ( -1.010 5.243 -6.111) 8.115 6.193 ( 1.010 5.243 6.111) 8.115 6.629 ( 0.802 -2.834 -2.285) 3.727 6.629 ( -0.802 -2.834 2.285) 3.727 8.198 ( -0.222 -0.644 -1.086) 1.282 8.198 ( 0.222 -0.644 1.086) 1.282 8.894 ( 0.079 0.192 -3.992) 3.997 8.894 ( -0.079 0.192 3.992) 3.997 9.856 ( -0.252 0.553 -0.295) 0.675 9.856 ( 0.252 0.553 0.295) 0.675 10.012 ( -0.203 -0.721 -1.810) 1.959 10.012 ( 0.203 -0.721 1.810) 1.959 ======================= Grid point 189 (90/100) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 3.009 -5.204 4.112) 7.283 0.801 ( 3.402 -2.586 -3.739) 5.678 0.888 ( -3.005 4.443 3.992) 6.687 0.989 ( 0.182 3.550 -2.403) 4.291 1.100 ( -2.112 -6.387 6.368) 9.263 1.176 ( -1.429 -4.189 -3.853) 5.869 1.397 ( -5.693 -0.147 -1.308) 5.843 1.539 ( -1.544 0.320 -1.973) 2.526 1.572 ( 3.898 2.927 -1.626) 5.139 1.596 ( 0.117 4.110 0.518) 4.144 1.696 ( 0.346 -3.360 2.889) 4.445 1.714 ( 0.688 -2.888 -1.401) 3.283 1.740 ( -2.862 -2.769 -1.928) 4.424 1.989 ( 2.521 0.382 1.145) 2.795 2.085 ( 1.413 4.153 -1.252) 4.561 2.107 ( -0.899 -0.893 -2.953) 3.213 2.160 ( 2.543 2.844 0.266) 3.824 2.238 ( 1.699 0.547 1.639) 2.423 2.360 ( -1.662 0.008 3.501) 3.875 2.415 ( -0.748 4.574 0.211) 4.639 2.659 ( -0.379 1.552 1.309) 2.065 2.683 ( 0.865 0.536 0.598) 1.180 2.991 ( -1.994 -6.537 0.110) 6.835 3.088 ( 2.104 -9.282 -3.598) 10.175 3.121 ( -4.072 -4.187 -1.169) 5.956 3.212 ( -2.182 -3.156 1.238) 4.032 3.394 ( -2.293 -0.916 -0.523) 2.524 3.509 ( 3.121 -0.202 1.382) 3.420 3.616 ( 1.949 -2.004 -0.327) 2.815 3.680 ( 3.003 -1.760 -0.543) 3.523 4.132 ( -3.343 4.118 -0.890) 5.378 4.283 ( 1.795 1.011 -2.814) 3.488 4.526 ( -8.670 -2.929 8.005) 12.158 4.555 ( -3.321 -5.015 -5.224) 7.967 4.687 ( 0.116 -4.462 2.698) 5.216 4.764 ( 0.112 -1.008 -0.502) 1.131 5.044 ( 9.035 1.633 -3.835) 9.951 5.062 ( 10.196 -3.062 0.852) 10.680 5.390 ( -0.454 1.320 -0.360) 1.442 5.469 ( 4.919 0.329 1.575) 5.175 5.694 ( -5.625 0.539 3.705) 6.757 5.807 ( 0.151 0.260 -3.132) 3.147 6.143 ( -3.104 5.426 -3.681) 7.254 6.202 ( -1.090 5.031 4.382) 6.761 6.613 ( -0.861 -3.685 1.363) 4.022 6.637 ( 0.057 -2.369 -1.534) 2.823 8.193 ( -0.269 -0.627 -1.091) 1.287 8.200 ( -0.083 -0.591 1.076) 1.231 8.893 ( 0.055 0.262 0.165) 0.315 8.897 ( 0.180 0.177 -0.447) 0.514 9.851 ( 0.030 0.403 0.023) 0.404 9.868 ( 0.580 0.324 -0.018) 0.664 10.009 ( -0.038 -0.643 -1.648) 1.770 10.016 ( 0.134 -0.859 1.898) 2.087 ======================= Grid point 190 (91/100) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.100 -0.619 1.441) 1.916 0.869 ( 4.875 -3.072 -1.821) 6.043 0.902 ( 4.629 -1.320 4.572) 6.639 0.969 ( -1.830 0.049 -1.928) 2.659 1.089 ( 0.019 -6.414 6.658) 9.245 1.110 ( -4.526 -4.705 -3.606) 7.458 1.282 ( -5.349 1.099 -1.238) 5.599 1.441 ( -8.546 -1.579 -0.105) 8.691 1.577 ( 1.243 2.360 -1.643) 3.132 1.677 ( 0.198 -2.618 -2.350) 3.524 1.699 ( 5.498 2.813 -0.396) 6.189 1.733 ( 1.051 -1.363 0.271) 1.743 1.745 ( 1.099 -0.451 0.534) 1.302 1.951 ( -4.729 3.961 -1.004) 6.250 2.130 ( 3.798 4.121 -2.414) 6.102 2.163 ( 3.712 0.872 -0.131) 3.815 2.202 ( 1.717 2.208 -1.997) 3.437 2.248 ( 0.140 -2.299 3.400) 4.106 2.326 ( -2.662 -1.527 2.913) 4.231 2.365 ( -3.977 3.166 1.068) 5.194 2.684 ( 3.200 1.178 0.818) 3.506 2.743 ( 5.386 1.520 1.413) 5.772 2.911 ( -5.689 -4.722 -1.558) 7.556 3.030 ( -5.268 -3.300 -0.028) 6.217 3.139 ( 1.778 -7.974 -2.788) 8.632 3.175 ( -0.983 -4.299 0.321) 4.422 3.375 ( 1.100 1.635 -1.572) 2.521 3.518 ( -2.682 3.040 2.993) 5.039 3.666 ( 2.964 -2.483 -0.345) 3.882 3.718 ( 0.903 -1.690 -0.308) 1.941 4.135 ( 3.432 -1.171 -4.344) 5.659 4.297 ( -0.987 -1.558 -0.086) 1.847 4.392 ( -4.165 -3.401 5.737) 7.863 4.492 ( -3.668 -2.119 -2.000) 4.685 4.689 ( 0.460 -4.246 0.694) 4.327 4.747 ( -1.641 -2.109 -0.320) 2.691 5.199 ( 6.771 2.177 -1.290) 7.228 5.251 ( 8.710 -3.664 -2.083) 9.677 5.381 ( -0.340 2.350 0.314) 2.395 5.560 ( -2.823 2.782 3.518) 5.300 5.617 ( 4.338 -3.282 2.258) 5.890 5.789 ( -1.752 -0.402 -2.825) 3.348 6.091 ( -1.706 6.036 -4.969) 8.002 6.158 ( -3.541 4.611 5.792) 8.206 6.602 ( -0.188 -3.801 -0.153) 3.809 6.628 ( -0.937 -2.661 -0.139) 2.824 8.189 ( -0.006 -0.579 -1.137) 1.276 8.197 ( -0.291 -0.536 1.114) 1.270 8.896 ( 0.161 0.312 0.218) 0.413 8.899 ( 0.053 0.236 -0.493) 0.549 9.857 ( 0.552 0.047 -0.003) 0.554 9.874 ( -0.028 -0.017 0.011) 0.035 10.010 ( 0.218 -0.711 -1.635) 1.796 10.018 ( -0.085 -0.924 1.871) 2.088 ======================= Grid point 191 (92/100) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.106 -2.293 -1.260) 2.619 0.896 ( 0.106 -2.293 1.260) 2.619 0.962 ( -0.808 -1.314 -1.311) 2.024 0.962 ( 0.808 -1.314 1.311) 2.024 1.062 ( 0.601 -6.097 -3.154) 6.891 1.062 ( -0.601 -6.097 3.154) 6.891 1.285 ( -3.676 0.396 -3.800) 5.302 1.285 ( 3.676 0.396 3.800) 5.302 1.628 ( -2.269 -1.423 -1.640) 3.140 1.628 ( 2.269 -1.423 1.640) 3.140 1.750 ( 0.172 1.217 -2.521) 2.805 1.750 ( -0.172 1.217 2.521) 2.805 1.836 ( -3.757 3.168 -2.633) 5.575 1.836 ( 3.757 3.168 2.633) 5.575 2.196 ( 0.738 3.411 -6.383) 7.274 2.196 ( -0.738 3.411 6.383) 7.274 2.233 ( 0.716 1.102 -7.310) 7.427 2.233 ( -0.716 1.102 7.310) 7.427 2.299 ( -1.481 -2.007 -2.059) 3.235 2.299 ( 1.481 -2.007 2.059) 3.235 2.768 ( -4.025 1.121 -1.904) 4.592 2.768 ( 4.025 1.121 1.904) 4.592 2.905 ( -6.446 -2.815 -1.047) 7.111 2.905 ( 6.446 -2.815 1.047) 7.111 3.163 ( 0.841 -6.805 -1.866) 7.106 3.163 ( -0.841 -6.805 1.866) 7.106 3.437 ( 4.863 3.724 -3.172) 6.898 3.437 ( -4.863 3.724 3.172) 6.898 3.712 ( -1.231 -1.827 -0.236) 2.216 3.712 ( 1.231 -1.827 0.236) 2.216 4.222 ( 4.338 -3.822 -6.550) 8.737 4.222 ( -4.338 -3.822 6.550) 8.737 4.413 ( -3.552 -1.703 -1.206) 4.119 4.413 ( 3.552 -1.703 1.206) 4.119 4.712 ( -0.276 -3.333 -3.576) 4.896 4.712 ( 0.276 -3.333 3.576) 4.896 5.294 ( -2.427 0.783 -1.723) 3.077 5.294 ( 2.427 0.783 1.723) 3.077 5.448 ( 1.682 1.040 -3.278) 3.828 5.448 ( -1.682 1.040 3.278) 3.828 5.733 ( -4.449 -2.229 -2.657) 5.641 5.733 ( 4.449 -2.229 2.657) 5.641 6.095 ( 2.044 5.557 -7.259) 9.368 6.095 ( -2.044 5.557 7.259) 9.368 6.609 ( 0.284 -3.259 -1.208) 3.487 6.609 ( -0.284 -3.259 1.208) 3.487 8.192 ( 0.245 -0.541 -1.148) 1.293 8.192 ( -0.245 -0.541 1.148) 1.293 8.899 ( 0.058 0.300 -3.933) 3.944 8.899 ( -0.058 0.300 3.933) 3.944 9.868 ( -0.079 -0.143 -0.857) 0.873 9.868 ( 0.079 -0.143 0.857) 0.873 10.015 ( 0.260 -0.855 -1.772) 1.985 10.015 ( -0.260 -0.855 1.772) 1.985 ======================= Grid point 195 (93/100) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 1.762 1.953 -6.559) 7.067 0.750 ( -1.762 1.953 6.559) 7.067 0.977 ( -0.784 -2.625 -5.074) 5.766 0.977 ( 0.784 -2.625 5.074) 5.766 1.118 ( -1.948 1.613 -1.367) 2.875 1.118 ( 1.948 1.613 1.367) 2.875 1.471 ( 2.108 -2.192 -2.750) 4.100 1.471 ( -2.108 -2.192 2.750) 4.100 1.642 ( -2.507 2.647 -3.028) 4.739 1.642 ( 2.507 2.647 3.028) 4.739 1.664 ( -0.412 -0.009 -1.968) 2.011 1.664 ( 0.412 -0.009 1.968) 2.011 1.799 ( -6.376 -2.181 -2.139) 7.070 1.799 ( 6.376 -2.181 2.139) 7.070 2.154 ( -2.130 -0.729 -1.058) 2.488 2.154 ( 2.130 -0.729 1.058) 2.488 2.189 ( -2.140 1.764 -1.318) 3.071 2.189 ( 2.140 1.764 1.318) 3.071 2.468 ( -3.187 4.219 -2.415) 5.813 2.468 ( 3.187 4.219 2.415) 5.813 2.704 ( -0.093 1.637 -0.797) 1.823 2.704 ( 0.093 1.637 0.797) 1.823 2.865 ( -0.946 -7.558 -2.043) 7.887 2.865 ( 0.946 -7.558 2.043) 7.887 3.124 ( -2.335 -3.343 -1.498) 4.344 3.124 ( 2.335 -3.343 1.498) 4.344 3.396 ( -2.237 -2.516 -0.795) 3.459 3.396 ( 2.237 -2.516 0.795) 3.459 3.601 ( -1.478 -0.442 -0.216) 1.558 3.601 ( 1.478 -0.442 0.216) 1.558 4.304 ( 0.010 2.804 -3.891) 4.796 4.304 ( -0.010 2.804 3.891) 4.796 4.483 ( -2.966 -5.062 -6.859) 9.026 4.483 ( 2.966 -5.062 6.859) 9.026 4.716 ( 0.713 0.375 -1.762) 1.938 4.716 ( -0.713 0.375 1.762) 1.938 4.956 ( -1.338 1.121 -3.351) 3.778 4.956 ( 1.338 1.121 3.351) 3.778 5.417 ( -0.476 0.019 -0.964) 1.075 5.417 ( 0.476 0.019 0.964) 1.075 5.775 ( 2.017 -0.410 -2.491) 3.231 5.775 ( -2.017 -0.410 2.491) 3.231 6.311 ( -0.974 6.214 -6.158) 8.803 6.311 ( 0.974 6.214 6.158) 8.803 6.550 ( -0.404 -4.903 -1.947) 5.291 6.550 ( 0.404 -4.903 1.947) 5.291 8.185 ( -0.157 -0.592 -0.666) 0.905 8.185 ( 0.157 -0.592 0.666) 0.905 8.897 ( 0.055 0.078 -2.105) 2.107 8.897 ( -0.055 0.078 2.105) 2.107 9.865 ( -0.247 0.286 -0.092) 0.389 9.865 ( 0.247 0.286 0.092) 0.389 10.000 ( -0.093 -0.424 -0.897) 0.996 10.000 ( 0.093 -0.424 0.897) 0.996 ======================= Grid point 197 (94/100) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.286 0.153 4.628) 4.639 0.792 ( 2.024 0.608 -5.766) 6.141 0.932 ( -2.363 -1.361 -0.726) 2.822 0.984 ( -1.243 -4.383 3.165) 5.547 1.065 ( -2.599 3.188 -2.409) 4.766 1.113 ( -2.565 -0.592 0.785) 2.747 1.397 ( -4.734 0.122 -0.511) 4.764 1.497 ( -3.358 -3.948 -0.390) 5.197 1.612 ( -1.688 -1.528 0.794) 2.411 1.633 ( -0.066 -0.792 -1.227) 1.462 1.655 ( 1.631 2.081 -1.148) 2.883 1.712 ( 0.896 -0.814 0.395) 1.273 1.744 ( 3.745 6.260 -0.003) 7.295 1.952 ( 7.747 -3.289 0.820) 8.456 2.108 ( -1.118 1.060 -1.298) 2.014 2.183 ( 0.731 3.133 -3.607) 4.833 2.191 ( 1.896 -0.465 3.308) 3.841 2.243 ( 1.857 0.376 1.062) 2.172 2.368 ( -5.574 2.541 -0.242) 6.131 2.496 ( -1.819 2.557 0.980) 3.288 2.676 ( -1.181 0.317 -0.439) 1.299 2.699 ( -0.001 0.430 1.101) 1.182 2.870 ( 0.660 -5.577 -0.218) 5.620 2.909 ( 2.671 -7.042 -0.124) 7.532 3.062 ( -3.205 -1.179 -0.525) 3.455 3.138 ( -1.387 -3.753 0.538) 4.037 3.379 ( 0.660 -0.079 -1.672) 1.799 3.468 ( 5.121 -3.363 -0.617) 6.158 3.602 ( 1.501 0.528 -0.292) 1.618 3.648 ( 2.679 -1.444 -0.081) 3.045 4.234 ( -5.749 4.984 2.098) 7.893 4.294 ( -1.471 1.377 -3.156) 3.744 4.430 ( -1.646 -6.916 0.272) 7.115 4.466 ( -4.857 -3.651 4.121) 7.342 4.643 ( -2.502 0.623 2.191) 3.383 4.732 ( -1.412 -2.108 -1.041) 2.743 5.038 ( 8.927 1.119 -3.700) 9.728 5.083 ( 9.179 1.058 -1.027) 9.296 5.413 ( 0.389 0.892 0.348) 1.033 5.459 ( 3.518 -1.247 0.383) 3.752 5.711 ( -4.470 1.395 3.171) 5.655 5.791 ( -0.441 -1.637 -1.709) 2.407 6.263 ( -2.694 6.370 -3.063) 7.564 6.321 ( -1.159 6.437 3.594) 7.463 6.518 ( -1.412 -5.545 -0.404) 5.736 6.566 ( -0.018 -4.707 0.452) 4.729 8.181 ( -0.159 -0.437 -0.673) 0.818 8.187 ( -0.009 -0.648 0.615) 0.894 8.897 ( 0.101 0.126 0.538) 0.562 8.899 ( 0.182 0.030 -0.848) 0.868 9.859 ( -0.188 0.408 0.019) 0.450 9.871 ( 0.175 -0.080 0.032) 0.196 9.999 ( -0.043 -0.355 -0.834) 0.908 10.002 ( 0.036 -0.533 0.925) 1.068 ======================= Grid point 198 (95/100) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 3.000 -3.247 4.291) 6.161 0.811 ( 0.434 -2.423 -4.799) 5.394 0.917 ( 0.847 -2.714 -0.808) 2.955 0.943 ( -2.381 -2.827 1.739) 4.085 1.033 ( -1.430 1.360 -1.584) 2.531 1.051 ( -2.871 1.001 1.667) 3.468 1.291 ( -5.181 -0.269 -1.260) 5.338 1.383 ( -7.441 -3.934 0.168) 8.419 1.577 ( -0.478 -0.797 -0.116) 0.936 1.620 ( -1.403 -2.608 -1.248) 3.213 1.753 ( 4.098 1.818 0.682) 4.535 1.757 ( 5.701 2.618 0.862) 6.332 1.829 ( 4.411 7.593 -1.066) 8.845 2.029 ( -1.736 2.766 0.274) 3.277 2.121 ( 2.316 -3.215 -2.177) 4.521 2.186 ( 0.682 -0.857 -0.942) 1.444 2.230 ( 2.012 2.118 2.161) 3.634 2.258 ( 0.888 1.904 -0.463) 2.152 2.294 ( -2.649 0.354 -0.186) 2.679 2.404 ( -6.534 -0.556 1.201) 6.666 2.691 ( 2.879 0.086 -0.259) 2.892 2.739 ( 4.204 -1.850 0.652) 4.639 2.848 ( -3.330 -1.570 0.331) 3.696 2.929 ( -1.630 -6.220 0.075) 6.430 3.029 ( 0.048 -2.047 0.501) 2.108 3.087 ( -3.087 -3.912 -0.538) 5.012 3.429 ( 4.549 3.496 -3.015) 6.481 3.561 ( 3.130 -0.195 0.322) 3.153 3.626 ( 1.068 -0.361 -0.546) 1.253 3.684 ( 0.946 -1.609 0.507) 1.934 4.145 ( -2.417 2.176 -0.584) 3.305 4.258 ( -4.322 -2.065 2.358) 5.339 4.351 ( -1.372 -0.727 1.868) 2.430 4.441 ( -0.839 -3.492 -1.656) 3.955 4.610 ( -0.901 -2.334 2.296) 3.396 4.686 ( -3.103 -3.667 -1.355) 4.991 5.220 ( 9.046 0.441 -2.600) 9.423 5.237 ( 6.535 1.346 -1.189) 6.778 5.424 ( 0.864 1.985 0.377) 2.198 5.541 ( 3.455 -3.992 0.805) 5.340 5.623 ( -3.441 3.468 2.745) 5.604 5.758 ( -2.966 -2.513 -1.180) 4.062 6.222 ( -1.227 6.711 -3.483) 7.660 6.275 ( -3.342 6.387 4.111) 8.298 6.506 ( 0.201 -5.401 -0.900) 5.479 6.551 ( -1.417 -4.930 0.947) 5.217 8.179 ( 0.028 -0.351 -0.732) 0.812 8.185 ( -0.178 -0.554 0.669) 0.887 8.900 ( 0.149 0.129 0.549) 0.584 8.902 ( 0.119 0.036 -0.860) 0.869 9.859 ( 0.166 0.168 -0.011) 0.236 9.870 ( -0.210 -0.308 0.073) 0.380 9.999 ( 0.076 -0.402 -0.830) 0.926 10.002 ( -0.066 -0.577 0.911) 1.080 ======================= Grid point 199 (96/100) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -0.894 -4.380 -3.767) 5.845 0.811 ( 0.894 -4.380 3.767) 5.845 0.926 ( -0.689 -4.254 -3.668) 5.660 0.926 ( 0.689 -4.254 3.668) 5.660 1.018 ( -0.648 2.987 -2.372) 3.869 1.018 ( 0.648 2.987 2.372) 3.869 1.267 ( -3.437 -2.250 -0.371) 4.125 1.267 ( 3.437 -2.250 0.371) 4.125 1.590 ( -1.270 -1.685 -0.502) 2.169 1.590 ( 1.270 -1.685 0.502) 2.169 1.812 ( -1.086 3.866 -2.337) 4.646 1.812 ( 1.086 3.866 2.337) 4.646 1.929 ( -5.711 5.596 -1.116) 8.073 1.929 ( 5.711 5.596 1.116) 8.073 2.174 ( -0.195 -5.127 -2.808) 5.849 2.174 ( 0.195 -5.127 2.808) 5.849 2.258 ( 0.214 2.631 -5.505) 6.105 2.258 ( -0.214 2.631 5.505) 6.105 2.302 ( 3.887 0.612 -4.115) 5.693 2.302 ( -3.887 0.612 4.115) 5.693 2.766 ( -3.432 -0.358 -0.860) 3.556 2.766 ( 3.432 -0.358 0.860) 3.556 2.844 ( -5.745 -3.884 -0.302) 6.941 2.844 ( 5.745 -3.884 0.302) 6.941 3.047 ( -1.212 -3.783 -0.711) 4.036 3.047 ( 1.212 -3.783 0.711) 4.036 3.526 ( 4.992 4.663 -3.307) 7.590 3.526 ( -4.992 4.663 3.307) 7.590 3.673 ( 2.280 -2.082 -1.511) 3.437 3.673 ( -2.280 -2.082 1.511) 3.437 4.162 ( 3.914 -1.849 -3.793) 5.755 4.162 ( -3.914 -1.849 3.793) 5.755 4.393 ( -3.524 -0.377 -0.339) 3.560 4.393 ( 3.524 -0.377 0.339) 3.560 4.628 ( -1.809 -4.362 -2.673) 5.426 4.628 ( 1.809 -4.362 2.673) 5.426 5.309 ( -0.466 0.833 -1.833) 2.067 5.309 ( 0.466 0.833 1.833) 2.067 5.480 ( 0.361 1.739 -1.686) 2.449 5.480 ( -0.361 1.739 1.686) 2.449 5.680 ( -3.299 -2.590 -2.329) 4.797 5.680 ( 3.299 -2.590 2.329) 4.797 6.224 ( 1.049 6.712 -6.238) 9.223 6.224 ( -1.049 6.712 6.238) 9.223 6.522 ( 0.406 -5.125 -2.487) 5.711 6.522 ( -0.406 -5.125 2.487) 5.711 8.181 ( 0.186 -0.411 -0.729) 0.857 8.181 ( -0.186 -0.411 0.729) 0.857 8.902 ( 0.017 0.087 -2.072) 2.074 8.902 ( -0.017 0.087 2.072) 2.074 9.864 ( -0.043 -0.182 -0.410) 0.451 9.864 ( 0.043 -0.182 0.410) 0.451 10.000 ( 0.123 -0.515 -0.885) 1.031 10.000 ( -0.123 -0.515 0.885) 1.031 ======================= Grid point 203 (97/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 0.000 0.000 0.000) 0.000 0.793 ( -0.000 0.000 0.000) 0.000 0.925 ( -0.000 0.000 -0.000) 0.000 0.925 ( 0.000 0.000 0.000) 0.000 1.151 ( -0.000 0.000 0.000) 0.000 1.151 ( 0.000 0.000 0.000) 0.000 1.441 ( -0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.644 ( -0.000 0.000 -0.000) 0.000 1.644 ( -0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 -0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 1.789 ( -0.000 0.000 0.000) 0.000 1.789 ( -0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.131 ( -0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 -0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.539 ( -0.000 0.000 0.000) 0.000 2.539 ( -0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 -0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 2.754 ( -0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 -0.000) 0.000 3.090 ( -0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.367 ( -0.000 0.000 0.000) 0.000 3.597 ( -0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 4.327 ( -0.000 0.000 -0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.436 ( -0.000 -0.000 -0.000) 0.000 4.436 ( -0.000 0.000 0.000) 0.000 4.723 ( -0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 -0.000) 0.000 4.969 ( -0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.415 ( -0.000 0.000 0.000) 0.000 5.770 ( -0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 -0.000 -0.000) 0.000 6.431 ( 0.000 0.000 -0.000) 0.000 6.443 ( -0.000 -0.000 -0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.898 ( -0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 9.868 ( -0.000 0.000 0.000) 0.000 9.868 ( -0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 9.996 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 207 (98/100) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.392 -2.991 -0.219) 3.306 0.776 ( -1.392 2.991 -0.219) 3.306 0.914 ( -1.029 -1.893 -1.228) 2.481 0.914 ( -1.029 1.893 -1.228) 2.481 1.113 ( -2.989 -1.190 -0.211) 3.225 1.113 ( -2.989 1.190 -0.211) 3.225 1.420 ( -3.842 -2.758 -1.034) 4.841 1.420 ( -3.842 2.758 -1.034) 4.841 1.606 ( -2.016 -0.749 1.135) 2.432 1.606 ( -2.016 0.749 1.135) 2.432 1.697 ( 2.542 -1.052 -0.054) 2.752 1.697 ( 2.542 1.052 -0.054) 2.752 1.868 ( 6.145 -5.284 -0.106) 8.105 1.868 ( 6.145 5.284 -0.106) 8.105 2.137 ( 0.678 -2.247 -0.102) 2.349 2.137 ( 0.678 2.247 -0.102) 2.349 2.237 ( 2.280 -1.278 -0.405) 2.645 2.237 ( 2.280 1.278 -0.405) 2.645 2.467 ( -6.548 -5.352 -0.936) 8.509 2.467 ( -6.548 5.352 -0.936) 8.509 2.691 ( -1.386 -1.287 0.749) 2.034 2.691 ( -1.386 1.287 0.749) 2.034 2.819 ( 3.504 -1.536 1.093) 3.979 2.819 ( 3.504 1.536 1.093) 3.979 3.076 ( -1.943 -2.178 0.027) 2.919 3.076 ( -1.943 2.178 0.027) 2.919 3.404 ( 4.076 -2.489 -1.839) 5.117 3.404 ( 4.076 2.489 -1.839) 5.117 3.621 ( 2.089 -1.166 0.020) 2.393 3.621 ( 2.089 1.166 0.020) 2.393 4.308 ( -3.061 -4.117 0.517) 5.156 4.308 ( -3.061 4.117 0.517) 5.156 4.378 ( -3.577 -4.940 2.465) 6.578 4.378 ( -3.577 4.940 2.465) 6.578 4.683 ( -3.181 -2.584 -0.284) 4.108 4.683 ( -3.181 2.584 -0.284) 4.108 5.075 ( 9.022 -1.708 -2.685) 9.567 5.075 ( 9.022 1.708 -2.685) 9.567 5.432 ( 1.609 -1.155 0.444) 2.030 5.432 ( 1.609 1.155 0.444) 2.030 5.750 ( -2.090 -2.233 0.957) 3.204 5.750 ( -2.090 2.233 0.957) 3.204 6.392 ( -2.679 -6.006 -1.936) 6.856 6.392 ( -2.679 6.006 -1.936) 6.856 6.455 ( 0.036 -5.809 2.147) 6.193 6.455 ( 0.036 5.809 2.147) 6.193 8.178 ( -0.031 -0.153 -0.052) 0.165 8.178 ( -0.031 0.153 -0.052) 0.165 8.899 ( 0.140 -0.039 -0.151) 0.210 8.899 ( 0.140 0.039 -0.151) 0.210 9.867 ( -0.128 -0.306 0.031) 0.333 9.867 ( -0.128 0.306 0.031) 0.333 9.996 ( -0.025 -0.084 0.026) 0.091 9.996 ( -0.025 0.084 0.026) 0.091 ======================= Grid point 209 (99/100) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.287 -2.123 -0.204) 2.152 0.758 ( -0.287 2.123 -0.204) 2.152 0.892 ( -1.064 -1.171 -1.137) 1.948 0.892 ( -1.064 1.171 -1.137) 1.948 1.070 ( -1.182 -0.934 -0.193) 1.519 1.070 ( -1.182 0.934 -0.193) 1.519 1.307 ( -6.655 -2.744 -0.370) 7.208 1.307 ( -6.655 2.744 -0.370) 7.208 1.580 ( -0.928 -1.148 0.099) 1.479 1.580 ( -0.928 1.148 0.099) 1.479 1.784 ( 5.756 -0.541 1.142) 5.893 1.784 ( 5.756 0.541 1.142) 5.893 1.977 ( 4.894 -6.409 -0.886) 8.112 1.977 ( 4.894 6.409 -0.886) 8.112 2.134 ( -2.252 -3.032 -1.078) 3.928 2.134 ( -2.252 3.032 -1.078) 3.928 2.270 ( 1.298 -0.616 -2.101) 2.545 2.270 ( 1.298 0.616 -2.101) 2.545 2.347 ( -4.657 -3.944 2.465) 6.582 2.347 ( -4.657 3.944 2.465) 6.582 2.702 ( 2.594 -1.244 -0.393) 2.904 2.702 ( 2.594 1.244 -0.393) 2.904 2.846 ( -1.385 -1.711 1.271) 2.542 2.846 ( -1.385 1.711 1.271) 2.542 3.029 ( -2.060 -1.653 0.127) 2.644 3.029 ( -2.060 1.653 0.127) 2.644 3.507 ( 6.320 -3.920 -3.041) 8.035 3.507 ( 6.320 3.920 -3.041) 8.035 3.651 ( 0.417 -1.712 0.940) 1.997 3.651 ( 0.417 1.712 0.940) 1.997 4.205 ( -5.800 -3.238 3.063) 7.315 4.205 ( -5.800 3.238 3.063) 7.315 4.369 ( 1.421 -2.641 -0.401) 3.025 4.369 ( 1.421 2.641 -0.401) 3.025 4.617 ( -3.552 -2.570 -0.406) 4.403 4.617 ( -3.552 2.570 -0.406) 4.403 5.242 ( 7.644 -0.884 -2.020) 7.956 5.242 ( 7.644 0.884 -2.020) 7.956 5.470 ( 2.284 -2.829 0.308) 3.649 5.470 ( 2.284 2.829 0.308) 3.649 5.695 ( -3.495 -3.536 1.126) 5.098 5.695 ( -3.495 3.536 1.126) 5.098 6.344 ( -2.075 -3.683 -1.206) 4.396 6.344 ( -2.075 3.683 -1.206) 4.396 6.447 ( -0.675 -3.573 1.464) 3.920 6.447 ( -0.675 3.573 1.464) 3.920 8.177 ( -0.027 -0.151 -0.053) 0.163 8.177 ( -0.027 0.151 -0.053) 0.163 8.902 ( 0.135 -0.040 -0.152) 0.208 8.902 ( 0.135 0.040 -0.152) 0.208 9.864 ( -0.139 -0.302 0.035) 0.335 9.864 ( -0.139 0.302 0.035) 0.335 9.995 ( -0.019 -0.084 0.023) 0.089 9.995 ( -0.019 0.084 0.023) 0.089 ======================= Grid point 211 (100/100) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.09e-04 3.09e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 0.000 -0.000) 0.000 0.759 ( 0.000 0.000 0.000) 0.000 0.881 ( 0.000 0.000 -0.000) 0.000 0.881 ( 0.000 0.000 -0.000) 0.000 1.065 ( 0.000 0.000 -0.000) 0.000 1.065 ( 0.000 0.000 0.000) 0.000 1.229 ( 0.000 0.000 -0.000) 0.000 1.229 ( 0.000 0.000 -0.000) 0.000 1.571 ( 0.000 0.000 -0.000) 0.000 1.571 ( 0.000 0.000 -0.000) 0.000 1.859 ( 0.000 0.000 -0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 2.054 ( -0.000 0.000 -0.000) 0.000 2.054 ( -0.000 0.000 0.000) 0.000 2.055 ( 0.000 -0.000 -0.000) 0.000 2.055 ( -0.000 -0.000 0.000) 0.000 2.295 ( -0.000 0.000 0.000) 0.000 2.295 ( -0.000 0.000 0.000) 0.000 2.300 ( 0.000 -0.000 -0.000) 0.000 2.300 ( 0.000 0.000 -0.000) 0.000 2.777 ( -0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 -0.000) 0.000 2.777 ( -0.000 -0.000 -0.000) 0.000 2.777 ( -0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 -0.000) 0.000 3.012 ( 0.000 0.000 -0.000) 0.000 3.597 ( 0.000 -0.000 -0.000) 0.000 3.597 ( -0.000 0.000 0.000) 0.000 3.632 ( -0.000 -0.000 0.000) 0.000 3.632 ( 0.000 0.000 -0.000) 0.000 4.145 ( 0.000 0.000 -0.000) 0.000 4.145 ( 0.000 0.000 -0.000) 0.000 4.392 ( 0.000 0.000 -0.000) 0.000 4.392 ( 0.000 0.000 -0.000) 0.000 4.575 ( 0.000 0.000 -0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 -0.000) 0.000 5.320 ( 0.000 0.000 -0.000) 0.000 5.502 ( 0.000 0.000 -0.000) 0.000 5.502 ( 0.000 0.000 -0.000) 0.000 5.649 ( 0.000 -0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 -0.000 -0.000) 0.000 6.323 ( 0.000 0.000 -0.000) 0.000 6.439 ( -0.000 0.000 -0.000) 0.000 6.439 ( 0.000 0.000 -0.000) 0.000 8.177 ( 0.000 0.000 -0.000) 0.000 8.177 ( 0.000 0.000 -0.000) 0.000 8.903 ( 0.000 0.000 -0.000) 0.000 8.903 ( 0.000 0.000 -0.000) 0.000 9.862 ( 0.000 0.000 -0.000) 0.000 9.862 ( 0.000 0.000 -0.000) 0.000 9.995 ( 0.000 0.000 -0.000) 0.000 9.995 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/15552 10.0 41.062 32.795 43.558 0.000 -5.300 0.000 3/15552 20.0 10.402 7.706 10.945 0.000 -1.069 0.000 3/15552 30.0 5.239 3.857 5.419 0.000 -0.493 0.000 3/15552 40.0 3.415 2.536 3.507 0.000 -0.304 0.000 3/15552 50.0 2.524 1.893 2.582 0.000 -0.218 0.000 3/15552 60.0 2.004 1.516 2.046 0.000 -0.170 0.000 3/15552 70.0 1.665 1.269 1.697 0.000 -0.139 0.000 3/15552 80.0 1.426 1.094 1.452 0.000 -0.118 0.000 3/15552 90.0 1.249 0.963 1.272 0.000 -0.103 0.000 3/15552 100.0 1.112 0.862 1.132 0.000 -0.092 0.000 3/15552 110.0 1.003 0.781 1.021 0.000 -0.082 0.000 3/15552 120.0 0.914 0.714 0.931 0.000 -0.075 0.000 3/15552 130.0 0.839 0.658 0.856 0.000 -0.069 0.000 3/15552 140.0 0.777 0.610 0.792 0.000 -0.064 0.000 3/15552 150.0 0.723 0.569 0.737 0.000 -0.059 0.000 3/15552 160.0 0.676 0.534 0.690 0.000 -0.055 0.000 3/15552 170.0 0.635 0.502 0.648 0.000 -0.052 0.000 3/15552 180.0 0.599 0.474 0.612 0.000 -0.049 0.000 3/15552 190.0 0.566 0.449 0.579 0.000 -0.046 0.000 3/15552 200.0 0.537 0.427 0.550 0.000 -0.044 0.000 3/15552 210.0 0.511 0.407 0.523 0.000 -0.042 0.000 3/15552 220.0 0.488 0.388 0.499 0.000 -0.040 0.000 3/15552 230.0 0.466 0.372 0.477 0.000 -0.038 0.000 3/15552 240.0 0.447 0.356 0.457 0.000 -0.036 0.000 3/15552 250.0 0.428 0.342 0.439 0.000 -0.035 0.000 3/15552 260.0 0.412 0.329 0.422 0.000 -0.034 0.000 3/15552 270.0 0.396 0.317 0.406 0.000 -0.032 0.000 3/15552 280.0 0.382 0.306 0.392 0.000 -0.031 0.000 3/15552 290.0 0.369 0.295 0.378 0.000 -0.030 0.000 3/15552 300.0 0.356 0.286 0.366 0.000 -0.029 0.000 3/15552 310.0 0.345 0.276 0.354 0.000 -0.028 0.000 3/15552 320.0 0.334 0.268 0.343 0.000 -0.027 0.000 3/15552 330.0 0.324 0.260 0.333 0.000 -0.026 0.000 3/15552 340.0 0.314 0.252 0.323 0.000 -0.026 0.000 3/15552 350.0 0.305 0.245 0.314 0.000 -0.025 0.000 3/15552 360.0 0.297 0.238 0.305 0.000 -0.024 0.000 3/15552 370.0 0.289 0.232 0.297 0.000 -0.024 0.000 3/15552 380.0 0.281 0.226 0.289 0.000 -0.023 0.000 3/15552 390.0 0.274 0.220 0.281 0.000 -0.022 0.000 3/15552 400.0 0.267 0.215 0.274 0.000 -0.022 0.000 3/15552 410.0 0.260 0.209 0.268 0.000 -0.021 0.000 3/15552 420.0 0.254 0.205 0.261 0.000 -0.021 0.000 3/15552 430.0 0.248 0.200 0.255 0.000 -0.020 0.000 3/15552 440.0 0.243 0.195 0.250 0.000 -0.020 0.000 3/15552 450.0 0.237 0.191 0.244 0.000 -0.019 0.000 3/15552 460.0 0.232 0.187 0.239 0.000 -0.019 0.000 3/15552 470.0 0.227 0.183 0.234 0.000 -0.019 0.000 3/15552 480.0 0.222 0.179 0.229 0.000 -0.018 0.000 3/15552 490.0 0.218 0.176 0.224 0.000 -0.018 0.000 3/15552 500.0 0.213 0.172 0.220 0.000 -0.017 0.000 3/15552 510.0 0.209 0.169 0.215 0.000 -0.017 0.000 3/15552 520.0 0.205 0.165 0.211 0.000 -0.017 0.000 3/15552 530.0 0.201 0.162 0.207 0.000 -0.016 0.000 3/15552 540.0 0.198 0.159 0.204 0.000 -0.016 0.000 3/15552 550.0 0.194 0.156 0.200 0.000 -0.016 0.000 3/15552 560.0 0.190 0.154 0.196 0.000 -0.016 0.000 3/15552 570.0 0.187 0.151 0.193 0.000 -0.015 0.000 3/15552 580.0 0.184 0.148 0.190 0.000 -0.015 0.000 3/15552 590.0 0.181 0.146 0.186 0.000 -0.015 0.000 3/15552 600.0 0.178 0.144 0.183 0.000 -0.015 0.000 3/15552 610.0 0.175 0.141 0.180 0.000 -0.014 0.000 3/15552 620.0 0.172 0.139 0.177 0.000 -0.014 0.000 3/15552 630.0 0.169 0.137 0.175 0.000 -0.014 0.000 3/15552 640.0 0.167 0.135 0.172 0.000 -0.014 0.000 3/15552 650.0 0.164 0.133 0.169 0.000 -0.013 0.000 3/15552 660.0 0.162 0.131 0.167 0.000 -0.013 0.000 3/15552 670.0 0.159 0.129 0.164 0.000 -0.013 0.000 3/15552 680.0 0.157 0.127 0.162 0.000 -0.013 0.000 3/15552 690.0 0.155 0.125 0.159 0.000 -0.013 0.000 3/15552 700.0 0.152 0.123 0.157 0.000 -0.012 0.000 3/15552 710.0 0.150 0.121 0.155 0.000 -0.012 0.000 3/15552 720.0 0.148 0.120 0.153 0.000 -0.012 0.000 3/15552 730.0 0.146 0.118 0.151 0.000 -0.012 0.000 3/15552 740.0 0.144 0.117 0.149 0.000 -0.012 0.000 3/15552 750.0 0.142 0.115 0.147 0.000 -0.012 0.000 3/15552 760.0 0.140 0.113 0.145 0.000 -0.011 0.000 3/15552 770.0 0.138 0.112 0.143 0.000 -0.011 0.000 3/15552 780.0 0.137 0.111 0.141 0.000 -0.011 0.000 3/15552 790.0 0.135 0.109 0.139 0.000 -0.011 0.000 3/15552 800.0 0.133 0.108 0.138 0.000 -0.011 0.000 3/15552 810.0 0.132 0.107 0.136 0.000 -0.011 0.000 3/15552 820.0 0.130 0.105 0.134 0.000 -0.011 0.000 3/15552 830.0 0.128 0.104 0.133 0.000 -0.011 0.000 3/15552 840.0 0.127 0.103 0.131 0.000 -0.010 0.000 3/15552 850.0 0.125 0.102 0.130 0.000 -0.010 0.000 3/15552 860.0 0.124 0.100 0.128 0.000 -0.010 0.000 3/15552 870.0 0.123 0.099 0.127 0.000 -0.010 0.000 3/15552 880.0 0.121 0.098 0.125 0.000 -0.010 0.000 3/15552 890.0 0.120 0.097 0.124 0.000 -0.010 0.000 3/15552 900.0 0.118 0.096 0.122 0.000 -0.010 0.000 3/15552 910.0 0.117 0.095 0.121 0.000 -0.010 0.000 3/15552 920.0 0.116 0.094 0.120 0.000 -0.009 0.000 3/15552 930.0 0.115 0.093 0.118 0.000 -0.009 0.000 3/15552 940.0 0.113 0.092 0.117 0.000 -0.009 0.000 3/15552 950.0 0.112 0.091 0.116 0.000 -0.009 0.000 3/15552 960.0 0.111 0.090 0.115 0.000 -0.009 0.000 3/15552 970.0 0.110 0.089 0.114 0.000 -0.009 0.000 3/15552 980.0 0.109 0.088 0.112 0.000 -0.009 0.000 3/15552 990.0 0.108 0.087 0.111 0.000 -0.009 0.000 3/15552 1000.0 0.107 0.086 0.110 0.000 -0.009 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m686.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:48:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|