----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:53:48]------------------------- 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: P-3 (147) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.296292526643526 0.000000000000000 0.000000000000000 b -3.148146263321763 5.452749277731403 0.000000000000000 c 0.000000000000000 0.000000000000000 7.888566790000000 Atomic positions (fractional): *1 K 0.33333333333333 0.66666666666667 0.39155474294143 39.098 2 K 0.66666666666667 0.33333333333333 0.60844525705857 39.098 *3 Na 0.00000000000000 0.00000000000000 0.23092857927277 22.990 4 Na 0.00000000000000 0.00000000000000 0.76907142072723 22.990 *5 Th 0.66666666666667 0.33333333333333 0.12083824108504 232.038 6 Th 0.33333333333333 0.66666666666667 0.87916175891495 232.038 *7 F 0.38236742134250 0.27562748083631 0.32109848867967 18.998 *8 F 0.31178313041359 0.92373554077953 0.09702772234260 18.998 9 F 0.07626445922047 0.38804758963406 0.09702772234260 18.998 10 F 0.92373554077953 0.61195241036594 0.90297227765740 18.998 11 F 0.27562748083631 0.89326005949380 0.67890151132033 18.998 12 F 0.61763257865750 0.72437251916370 0.67890151132033 18.998 13 F 0.38804758963406 0.31178313041359 0.90297227765740 18.998 14 F 0.68821686958641 0.07626445922047 0.90297227765740 18.998 15 F 0.72437251916370 0.10673994050620 0.32109848867967 18.998 16 F 0.61195241036594 0.68821686958641 0.09702772234260 18.998 17 F 0.89326005949380 0.61763257865750 0.32109848867967 18.998 18 F 0.10673994050620 0.38236742134250 0.67890151132033 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.296292526643526 0.000000000000000 0.000000000000000 b -3.148146263321763 5.452749277731403 0.000000000000000 c 0.000000000000000 0.000000000000000 7.888566790000000 Atomic positions (fractional): *1 K 0.33333333333333 0.66666666666667 0.39155474294143 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.60844525705857 39.098 > 2 *3 Na 0.00000000000000 0.00000000000000 0.23092857927277 22.990 > 3 4 Na 0.00000000000000 0.00000000000000 0.76907142072723 22.990 > 4 *5 Th 0.66666666666667 0.33333333333333 0.12083824108504 232.038 > 5 6 Th 0.33333333333333 0.66666666666667 0.87916175891495 232.038 > 6 *7 F 0.38236742134250 0.27562748083631 0.32109848867967 18.998 > 7 *8 F 0.31178313041359 0.92373554077953 0.09702772234260 18.998 > 8 9 F 0.07626445922047 0.38804758963406 0.09702772234260 18.998 > 9 10 F 0.92373554077953 0.61195241036594 0.90297227765740 18.998 > 10 11 F 0.27562748083631 0.89326005949380 0.67890151132033 18.998 > 11 12 F 0.61763257865750 0.72437251916370 0.67890151132033 18.998 > 12 13 F 0.38804758963406 0.31178313041359 0.90297227765740 18.998 > 13 14 F 0.68821686958641 0.07626445922047 0.90297227765740 18.998 > 14 15 F 0.72437251916370 0.10673994050620 0.32109848867967 18.998 > 15 16 F 0.61195241036594 0.68821686958641 0.09702772234260 18.998 > 16 17 F 0.89326005949380 0.61763257865750 0.32109848867967 18.998 > 17 18 F 0.10673994050620 0.38236742134250 0.67890151132033 18.998 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.592585053287053 0.000000000000000 0.000000000000000 b -6.296292526643526 10.905498555462806 0.000000000000000 c 0.000000000000000 0.000000000000000 15.777133579999999 Atomic positions (fractional): *1 K 0.16666666666667 0.33333333333333 0.19577737147072 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.19577737147072 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.19577737147072 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.19577737147072 39.098 > 1 5 K 0.16666666666667 0.33333333333333 0.69577737147072 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.69577737147072 39.098 > 1 7 K 0.16666666666667 0.83333333333333 0.69577737147072 39.098 > 1 8 K 0.66666666666667 0.83333333333333 0.69577737147072 39.098 > 1 9 K 0.33333333333333 0.16666666666667 0.30422262852928 39.098 > 2 10 K 0.83333333333333 0.16666666666667 0.30422262852928 39.098 > 2 11 K 0.33333333333333 0.66666666666667 0.30422262852928 39.098 > 2 12 K 0.83333333333333 0.66666666666667 0.30422262852928 39.098 > 2 13 K 0.33333333333333 0.16666666666667 0.80422262852928 39.098 > 2 14 K 0.83333333333333 0.16666666666667 0.80422262852928 39.098 > 2 15 K 0.33333333333333 0.66666666666667 0.80422262852928 39.098 > 2 16 K 0.83333333333333 0.66666666666667 0.80422262852928 39.098 > 2 *17 Na 0.00000000000000 0.00000000000000 0.11546428963639 22.990 > 3 18 Na 0.50000000000000 0.00000000000000 0.11546428963639 22.990 > 3 19 Na 0.00000000000000 0.50000000000000 0.11546428963639 22.990 > 3 20 Na 0.50000000000000 0.50000000000000 0.11546428963639 22.990 > 3 21 Na 0.00000000000000 0.00000000000000 0.61546428963639 22.990 > 3 22 Na 0.50000000000000 0.00000000000000 0.61546428963639 22.990 > 3 23 Na 0.00000000000000 0.50000000000000 0.61546428963639 22.990 > 3 24 Na 0.50000000000000 0.50000000000000 0.61546428963639 22.990 > 3 25 Na 0.00000000000000 0.00000000000000 0.38453571036361 22.990 > 4 26 Na 0.50000000000000 0.00000000000000 0.38453571036361 22.990 > 4 27 Na 0.00000000000000 0.50000000000000 0.38453571036361 22.990 > 4 28 Na 0.50000000000000 0.50000000000000 0.38453571036361 22.990 > 4 29 Na 0.00000000000000 0.00000000000000 0.88453571036361 22.990 > 4 30 Na 0.50000000000000 0.00000000000000 0.88453571036361 22.990 > 4 31 Na 0.00000000000000 0.50000000000000 0.88453571036361 22.990 > 4 32 Na 0.50000000000000 0.50000000000000 0.88453571036361 22.990 > 4 *33 Th 0.33333333333333 0.16666666666667 0.06041912054252 232.038 > 5 34 Th 0.83333333333333 0.16666666666667 0.06041912054252 232.038 > 5 35 Th 0.33333333333333 0.66666666666667 0.06041912054252 232.038 > 5 36 Th 0.83333333333333 0.66666666666667 0.06041912054252 232.038 > 5 37 Th 0.33333333333333 0.16666666666667 0.56041912054252 232.038 > 5 38 Th 0.83333333333333 0.16666666666667 0.56041912054252 232.038 > 5 39 Th 0.33333333333333 0.66666666666667 0.56041912054252 232.038 > 5 40 Th 0.83333333333333 0.66666666666667 0.56041912054252 232.038 > 5 41 Th 0.16666666666667 0.33333333333333 0.43958087945748 232.038 > 6 42 Th 0.66666666666667 0.33333333333333 0.43958087945748 232.038 > 6 43 Th 0.16666666666667 0.83333333333333 0.43958087945748 232.038 > 6 44 Th 0.66666666666667 0.83333333333333 0.43958087945748 232.038 > 6 45 Th 0.16666666666667 0.33333333333333 0.93958087945748 232.038 > 6 46 Th 0.66666666666667 0.33333333333333 0.93958087945748 232.038 > 6 47 Th 0.16666666666667 0.83333333333333 0.93958087945748 232.038 > 6 48 Th 0.66666666666667 0.83333333333333 0.93958087945748 232.038 > 6 *49 F 0.19118371067125 0.13781374041815 0.16054924433983 18.998 > 7 50 F 0.69118371067125 0.13781374041815 0.16054924433983 18.998 > 7 51 F 0.19118371067125 0.63781374041815 0.16054924433983 18.998 > 7 52 F 0.69118371067125 0.63781374041815 0.16054924433983 18.998 > 7 53 F 0.19118371067125 0.13781374041815 0.66054924433983 18.998 > 7 54 F 0.69118371067125 0.13781374041815 0.66054924433983 18.998 > 7 55 F 0.19118371067125 0.63781374041815 0.66054924433983 18.998 > 7 56 F 0.69118371067125 0.63781374041815 0.66054924433983 18.998 > 7 *57 F 0.15589156520679 0.46186777038976 0.04851386117130 18.998 > 8 58 F 0.65589156520679 0.46186777038976 0.04851386117130 18.998 > 8 59 F 0.15589156520679 0.96186777038976 0.04851386117130 18.998 > 8 60 F 0.65589156520679 0.96186777038976 0.04851386117130 18.998 > 8 61 F 0.15589156520679 0.46186777038976 0.54851386117130 18.998 > 8 62 F 0.65589156520679 0.46186777038976 0.54851386117130 18.998 > 8 63 F 0.15589156520679 0.96186777038976 0.54851386117130 18.998 > 8 64 F 0.65589156520679 0.96186777038976 0.54851386117130 18.998 > 8 65 F 0.03813222961024 0.19402379481703 0.04851386117130 18.998 > 9 66 F 0.53813222961024 0.19402379481703 0.04851386117130 18.998 > 9 67 F 0.03813222961024 0.69402379481703 0.04851386117130 18.998 > 9 68 F 0.53813222961024 0.69402379481703 0.04851386117130 18.998 > 9 69 F 0.03813222961024 0.19402379481703 0.54851386117130 18.998 > 9 70 F 0.53813222961024 0.19402379481703 0.54851386117130 18.998 > 9 71 F 0.03813222961024 0.69402379481703 0.54851386117130 18.998 > 9 72 F 0.53813222961024 0.69402379481703 0.54851386117130 18.998 > 9 73 F 0.46186777038976 0.30597620518297 0.45148613882870 18.998 > 10 74 F 0.96186777038976 0.30597620518297 0.45148613882870 18.998 > 10 75 F 0.46186777038976 0.80597620518297 0.45148613882870 18.998 > 10 76 F 0.96186777038976 0.80597620518297 0.45148613882870 18.998 > 10 77 F 0.46186777038976 0.30597620518297 0.95148613882870 18.998 > 10 78 F 0.96186777038976 0.30597620518297 0.95148613882870 18.998 > 10 79 F 0.46186777038976 0.80597620518297 0.95148613882870 18.998 > 10 80 F 0.96186777038976 0.80597620518297 0.95148613882870 18.998 > 10 81 F 0.13781374041815 0.44663002974690 0.33945075566017 18.998 > 11 82 F 0.63781374041815 0.44663002974690 0.33945075566017 18.998 > 11 83 F 0.13781374041815 0.94663002974690 0.33945075566017 18.998 > 11 84 F 0.63781374041815 0.94663002974690 0.33945075566017 18.998 > 11 85 F 0.13781374041815 0.44663002974690 0.83945075566017 18.998 > 11 86 F 0.63781374041815 0.44663002974690 0.83945075566017 18.998 > 11 87 F 0.13781374041815 0.94663002974690 0.83945075566017 18.998 > 11 88 F 0.63781374041815 0.94663002974690 0.83945075566017 18.998 > 11 89 F 0.30881628932875 0.36218625958185 0.33945075566017 18.998 > 12 90 F 0.80881628932875 0.36218625958185 0.33945075566017 18.998 > 12 91 F 0.30881628932875 0.86218625958185 0.33945075566017 18.998 > 12 92 F 0.80881628932875 0.86218625958185 0.33945075566017 18.998 > 12 93 F 0.30881628932875 0.36218625958185 0.83945075566017 18.998 > 12 94 F 0.80881628932875 0.36218625958185 0.83945075566017 18.998 > 12 95 F 0.30881628932875 0.86218625958185 0.83945075566017 18.998 > 12 96 F 0.80881628932875 0.86218625958185 0.83945075566017 18.998 > 12 97 F 0.19402379481703 0.15589156520679 0.45148613882870 18.998 > 13 98 F 0.69402379481703 0.15589156520679 0.45148613882870 18.998 > 13 99 F 0.19402379481703 0.65589156520679 0.45148613882870 18.998 > 13 100 F 0.69402379481703 0.65589156520679 0.45148613882870 18.998 > 13 101 F 0.19402379481703 0.15589156520679 0.95148613882870 18.998 > 13 102 F 0.69402379481703 0.15589156520679 0.95148613882870 18.998 > 13 103 F 0.19402379481703 0.65589156520679 0.95148613882870 18.998 > 13 104 F 0.69402379481703 0.65589156520679 0.95148613882870 18.998 > 13 105 F 0.34410843479321 0.03813222961024 0.45148613882870 18.998 > 14 106 F 0.84410843479321 0.03813222961024 0.45148613882870 18.998 > 14 107 F 0.34410843479321 0.53813222961024 0.45148613882870 18.998 > 14 108 F 0.84410843479321 0.53813222961024 0.45148613882870 18.998 > 14 109 F 0.34410843479321 0.03813222961024 0.95148613882870 18.998 > 14 110 F 0.84410843479321 0.03813222961024 0.95148613882870 18.998 > 14 111 F 0.34410843479321 0.53813222961024 0.95148613882870 18.998 > 14 112 F 0.84410843479321 0.53813222961024 0.95148613882870 18.998 > 14 113 F 0.36218625958185 0.05336997025310 0.16054924433983 18.998 > 15 114 F 0.86218625958185 0.05336997025310 0.16054924433983 18.998 > 15 115 F 0.36218625958185 0.55336997025310 0.16054924433983 18.998 > 15 116 F 0.86218625958185 0.55336997025310 0.16054924433983 18.998 > 15 117 F 0.36218625958185 0.05336997025310 0.66054924433983 18.998 > 15 118 F 0.86218625958185 0.05336997025310 0.66054924433983 18.998 > 15 119 F 0.36218625958185 0.55336997025310 0.66054924433983 18.998 > 15 120 F 0.86218625958185 0.55336997025310 0.66054924433983 18.998 > 15 121 F 0.30597620518297 0.34410843479321 0.04851386117130 18.998 > 16 122 F 0.80597620518297 0.34410843479321 0.04851386117130 18.998 > 16 123 F 0.30597620518297 0.84410843479321 0.04851386117130 18.998 > 16 124 F 0.80597620518297 0.84410843479321 0.04851386117130 18.998 > 16 125 F 0.30597620518297 0.34410843479321 0.54851386117130 18.998 > 16 126 F 0.80597620518297 0.34410843479321 0.54851386117130 18.998 > 16 127 F 0.30597620518297 0.84410843479321 0.54851386117130 18.998 > 16 128 F 0.80597620518297 0.84410843479321 0.54851386117130 18.998 > 16 129 F 0.44663002974690 0.30881628932875 0.16054924433983 18.998 > 17 130 F 0.94663002974690 0.30881628932875 0.16054924433983 18.998 > 17 131 F 0.44663002974690 0.80881628932875 0.16054924433983 18.998 > 17 132 F 0.94663002974690 0.80881628932875 0.16054924433983 18.998 > 17 133 F 0.44663002974690 0.30881628932875 0.66054924433983 18.998 > 17 134 F 0.94663002974690 0.30881628932875 0.66054924433983 18.998 > 17 135 F 0.44663002974690 0.80881628932875 0.66054924433983 18.998 > 17 136 F 0.94663002974690 0.80881628932875 0.66054924433983 18.998 > 17 137 F 0.05336997025310 0.19118371067125 0.33945075566017 18.998 > 18 138 F 0.55336997025310 0.19118371067125 0.33945075566017 18.998 > 18 139 F 0.05336997025310 0.69118371067125 0.33945075566017 18.998 > 18 140 F 0.55336997025310 0.69118371067125 0.33945075566017 18.998 > 18 141 F 0.05336997025310 0.19118371067125 0.83945075566017 18.998 > 18 142 F 0.55336997025310 0.19118371067125 0.83945075566017 18.998 > 18 143 F 0.05336997025310 0.69118371067125 0.83945075566017 18.998 > 18 144 F 0.55336997025310 0.69118371067125 0.83945075566017 18.998 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3073954 -0.0000000 0.0000000 0.0000000 2.3073954 0.0000000 0.0000000 0.0000000 2.2849871 -------------------------- Born effective charges -------------------------- 1 K 1.1003903 -0.0210809 -0.0000000 0.0210809 1.1003903 0.0000000 -0.0000000 -0.0000000 1.4400809 2 K 1.1003903 -0.0210809 -0.0000000 0.0210809 1.1003903 0.0000000 -0.0000000 -0.0000000 1.4400809 3 Na 1.2280141 0.0261069 -0.0000000 -0.0261069 1.2280141 0.0000000 -0.0000000 -0.0000000 0.9074894 4 Na 1.2280141 0.0261069 -0.0000000 -0.0261069 1.2280141 0.0000000 -0.0000000 -0.0000000 0.9074894 5 Th 4.9809873 0.0088523 -0.0000000 -0.0088523 4.9809873 0.0000000 -0.0000000 -0.0000000 4.6529827 6 Th 4.9809873 0.0088523 -0.0000000 -0.0088523 4.9809873 0.0000000 -0.0000000 -0.0000000 4.6529827 7 F -1.3325252 -0.0415571 0.4689984 -0.0291620 -0.8192991 0.0384581 0.4600544 0.0476325 -1.3336050 8 F -0.8988544 -0.0705035 0.1622914 -0.0736464 -1.8222492 -0.4650410 0.1562098 -0.4078966 -0.9999126 9 F -1.6538192 -0.3622328 0.3215917 -0.3653756 -1.0672843 0.3730690 0.2751439 0.3392299 -0.9999126 10 F -1.6538192 -0.3622328 0.3215917 -0.3653756 -1.0672843 0.3730690 0.2751439 0.3392299 -0.9999126 11 F -0.9782279 0.2337157 -0.2678049 0.2461107 -1.1735964 0.3869355 -0.2712782 0.3746025 -1.3336050 12 F -1.3325252 -0.0415571 0.4689984 -0.0291620 -0.8192991 0.0384581 0.4600544 0.0476325 -1.3336050 13 F -1.5289817 0.4374506 -0.4838830 0.4343077 -1.1921218 0.0919721 -0.4313537 0.0686666 -0.9999126 14 F -0.8988544 -0.0705035 0.1622914 -0.0736464 -1.8222492 -0.4650410 0.1562098 -0.4078966 -0.9999126 15 F -0.9782279 0.2337157 -0.2678049 0.2461107 -1.1735964 0.3869355 -0.2712782 0.3746025 -1.3336050 16 F -1.5289817 0.4374506 -0.4838830 0.4343077 -1.1921218 0.0919721 -0.4313537 0.0686666 -0.9999126 17 F -0.9169833 -0.2107512 -0.2011935 -0.1983561 -1.2348409 -0.4253936 -0.1887762 -0.4222350 -1.3336050 18 F -0.9169833 -0.2107512 -0.2011935 -0.1983561 -1.2348409 -0.4253936 -0.1887762 -0.4222350 -1.3336050 ---------------------------------------------------------------------------- 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: 2016 Number of blocks in projector: 932 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 920 Use submatrix version of eigh solver. (1) Block: 500 / 920 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 920 / 920 (1) 411 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 836 Use submatrix version of eigh solver. (1) Block: 500 / 836 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 836 / 836 (1) 328 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (256, 251), data: True |-- (836, 828), data: False |-- (836, 8), data: (836, 16) @ (16, 8) |-- (336, 328), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (920, 907), data: False |-- (920, 9), data: (920, 22) @ (22, 9) |-- (420, 411), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.029 Solver_block: 100 / 400 - Time: 4.507 Solver_block: 200 / 400 - Time: 4.390 Solver_block: 300 / 400 - Time: 4.450 Solver_block: 400 / 400 - Time: 4.678 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.176 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 2016 Number of blocks in projector: 932 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 920 Use submatrix version of eigh solver. (1) Block: 500 / 920 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 920 / 920 (1) 411 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 836 Use submatrix version of eigh solver. (1) Block: 500 / 836 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 836 / 836 (1) 328 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (256, 251), data: True |-- (836, 828), data: False |-- (836, 8), data: (836, 16) @ (16, 8) |-- (336, 328), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (920, 907), data: False |-- (920, 9), data: (920, 22) @ (22, 9) |-- (420, 411), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:54:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:54:40]------------------------- 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: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.296292526643526 0.000000000000000 0.000000000000000 b -3.148146263321763 5.452749277731403 0.000000000000000 c 0.000000000000000 0.000000000000000 7.888566790000000 Atomic positions (fractional): 1 K 0.33333333333333 0.66666666666667 0.39155474294143 39.098 2 K 0.66666666666667 0.33333333333333 0.60844525705857 39.098 3 Na 0.00000000000000 0.00000000000000 0.23092857927277 22.990 4 Na 0.00000000000000 0.00000000000000 0.76907142072723 22.990 5 Th 0.66666666666667 0.33333333333333 0.12083824108504 232.038 6 Th 0.33333333333333 0.66666666666667 0.87916175891495 232.038 7 F 0.38236742134250 0.27562748083631 0.32109848867967 18.998 8 F 0.31178313041359 0.92373554077953 0.09702772234260 18.998 9 F 0.07626445922047 0.38804758963406 0.09702772234260 18.998 10 F 0.92373554077953 0.61195241036594 0.90297227765740 18.998 11 F 0.27562748083631 0.89326005949380 0.67890151132033 18.998 12 F 0.61763257865750 0.72437251916370 0.67890151132033 18.998 13 F 0.38804758963406 0.31178313041359 0.90297227765740 18.998 14 F 0.68821686958641 0.07626445922047 0.90297227765740 18.998 15 F 0.72437251916370 0.10673994050620 0.32109848867967 18.998 16 F 0.61195241036594 0.68821686958641 0.09702772234260 18.998 17 F 0.89326005949380 0.61763257865750 0.32109848867967 18.998 18 F 0.10673994050620 0.38236742134250 0.67890151132033 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.592585053287053 0.000000000000000 0.000000000000000 b -6.296292526643526 10.905498555462806 0.000000000000000 c 0.000000000000000 0.000000000000000 15.777133579999999 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.19577737147072 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.19577737147072 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.19577737147072 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.19577737147072 39.098 > 1 5 K 0.16666666666667 0.33333333333333 0.69577737147072 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.69577737147072 39.098 > 1 7 K 0.16666666666667 0.83333333333333 0.69577737147072 39.098 > 1 8 K 0.66666666666667 0.83333333333333 0.69577737147072 39.098 > 1 9 K 0.33333333333333 0.16666666666667 0.30422262852928 39.098 > 9 10 K 0.83333333333333 0.16666666666667 0.30422262852928 39.098 > 9 11 K 0.33333333333333 0.66666666666667 0.30422262852928 39.098 > 9 12 K 0.83333333333333 0.66666666666667 0.30422262852928 39.098 > 9 13 K 0.33333333333333 0.16666666666667 0.80422262852928 39.098 > 9 14 K 0.83333333333333 0.16666666666667 0.80422262852928 39.098 > 9 15 K 0.33333333333333 0.66666666666667 0.80422262852928 39.098 > 9 16 K 0.83333333333333 0.66666666666667 0.80422262852928 39.098 > 9 17 Na 0.00000000000000 0.00000000000000 0.11546428963639 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.11546428963639 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.11546428963639 22.990 > 17 20 Na 0.50000000000000 0.50000000000000 0.11546428963639 22.990 > 17 21 Na 0.00000000000000 0.00000000000000 0.61546428963639 22.990 > 17 22 Na 0.50000000000000 0.00000000000000 0.61546428963639 22.990 > 17 23 Na 0.00000000000000 0.50000000000000 0.61546428963639 22.990 > 17 24 Na 0.50000000000000 0.50000000000000 0.61546428963639 22.990 > 17 25 Na 0.00000000000000 0.00000000000000 0.38453571036361 22.990 > 25 26 Na 0.50000000000000 0.00000000000000 0.38453571036361 22.990 > 25 27 Na 0.00000000000000 0.50000000000000 0.38453571036361 22.990 > 25 28 Na 0.50000000000000 0.50000000000000 0.38453571036361 22.990 > 25 29 Na 0.00000000000000 0.00000000000000 0.88453571036361 22.990 > 25 30 Na 0.50000000000000 0.00000000000000 0.88453571036361 22.990 > 25 31 Na 0.00000000000000 0.50000000000000 0.88453571036361 22.990 > 25 32 Na 0.50000000000000 0.50000000000000 0.88453571036361 22.990 > 25 33 Th 0.33333333333333 0.16666666666667 0.06041912054252 232.038 > 33 34 Th 0.83333333333333 0.16666666666667 0.06041912054252 232.038 > 33 35 Th 0.33333333333333 0.66666666666667 0.06041912054252 232.038 > 33 36 Th 0.83333333333333 0.66666666666667 0.06041912054252 232.038 > 33 37 Th 0.33333333333333 0.16666666666667 0.56041912054252 232.038 > 33 38 Th 0.83333333333333 0.16666666666667 0.56041912054252 232.038 > 33 39 Th 0.33333333333333 0.66666666666667 0.56041912054252 232.038 > 33 40 Th 0.83333333333333 0.66666666666667 0.56041912054252 232.038 > 33 41 Th 0.16666666666667 0.33333333333333 0.43958087945748 232.038 > 41 42 Th 0.66666666666667 0.33333333333333 0.43958087945748 232.038 > 41 43 Th 0.16666666666667 0.83333333333333 0.43958087945748 232.038 > 41 44 Th 0.66666666666667 0.83333333333333 0.43958087945748 232.038 > 41 45 Th 0.16666666666667 0.33333333333333 0.93958087945748 232.038 > 41 46 Th 0.66666666666667 0.33333333333333 0.93958087945748 232.038 > 41 47 Th 0.16666666666667 0.83333333333333 0.93958087945748 232.038 > 41 48 Th 0.66666666666667 0.83333333333333 0.93958087945748 232.038 > 41 49 F 0.19118371067125 0.13781374041815 0.16054924433983 18.998 > 49 50 F 0.69118371067125 0.13781374041815 0.16054924433983 18.998 > 49 51 F 0.19118371067125 0.63781374041815 0.16054924433983 18.998 > 49 52 F 0.69118371067125 0.63781374041815 0.16054924433983 18.998 > 49 53 F 0.19118371067125 0.13781374041815 0.66054924433983 18.998 > 49 54 F 0.69118371067125 0.13781374041815 0.66054924433983 18.998 > 49 55 F 0.19118371067125 0.63781374041815 0.66054924433983 18.998 > 49 56 F 0.69118371067125 0.63781374041815 0.66054924433983 18.998 > 49 57 F 0.15589156520679 0.46186777038976 0.04851386117130 18.998 > 57 58 F 0.65589156520679 0.46186777038976 0.04851386117130 18.998 > 57 59 F 0.15589156520679 0.96186777038976 0.04851386117130 18.998 > 57 60 F 0.65589156520679 0.96186777038976 0.04851386117130 18.998 > 57 61 F 0.15589156520679 0.46186777038976 0.54851386117130 18.998 > 57 62 F 0.65589156520679 0.46186777038976 0.54851386117130 18.998 > 57 63 F 0.15589156520679 0.96186777038976 0.54851386117130 18.998 > 57 64 F 0.65589156520679 0.96186777038976 0.54851386117130 18.998 > 57 65 F 0.03813222961024 0.19402379481703 0.04851386117130 18.998 > 65 66 F 0.53813222961024 0.19402379481703 0.04851386117130 18.998 > 65 67 F 0.03813222961024 0.69402379481703 0.04851386117130 18.998 > 65 68 F 0.53813222961024 0.69402379481703 0.04851386117130 18.998 > 65 69 F 0.03813222961024 0.19402379481703 0.54851386117130 18.998 > 65 70 F 0.53813222961024 0.19402379481703 0.54851386117130 18.998 > 65 71 F 0.03813222961024 0.69402379481703 0.54851386117130 18.998 > 65 72 F 0.53813222961024 0.69402379481703 0.54851386117130 18.998 > 65 73 F 0.46186777038976 0.30597620518297 0.45148613882870 18.998 > 73 74 F 0.96186777038976 0.30597620518297 0.45148613882870 18.998 > 73 75 F 0.46186777038976 0.80597620518297 0.45148613882870 18.998 > 73 76 F 0.96186777038976 0.80597620518297 0.45148613882870 18.998 > 73 77 F 0.46186777038976 0.30597620518297 0.95148613882870 18.998 > 73 78 F 0.96186777038976 0.30597620518297 0.95148613882870 18.998 > 73 79 F 0.46186777038976 0.80597620518297 0.95148613882870 18.998 > 73 80 F 0.96186777038976 0.80597620518297 0.95148613882870 18.998 > 73 81 F 0.13781374041815 0.44663002974690 0.33945075566017 18.998 > 81 82 F 0.63781374041815 0.44663002974690 0.33945075566017 18.998 > 81 83 F 0.13781374041815 0.94663002974690 0.33945075566017 18.998 > 81 84 F 0.63781374041815 0.94663002974690 0.33945075566017 18.998 > 81 85 F 0.13781374041815 0.44663002974690 0.83945075566017 18.998 > 81 86 F 0.63781374041815 0.44663002974690 0.83945075566017 18.998 > 81 87 F 0.13781374041815 0.94663002974690 0.83945075566017 18.998 > 81 88 F 0.63781374041815 0.94663002974690 0.83945075566017 18.998 > 81 89 F 0.30881628932875 0.36218625958185 0.33945075566017 18.998 > 89 90 F 0.80881628932875 0.36218625958185 0.33945075566017 18.998 > 89 91 F 0.30881628932875 0.86218625958185 0.33945075566017 18.998 > 89 92 F 0.80881628932875 0.86218625958185 0.33945075566017 18.998 > 89 93 F 0.30881628932875 0.36218625958185 0.83945075566017 18.998 > 89 94 F 0.80881628932875 0.36218625958185 0.83945075566017 18.998 > 89 95 F 0.30881628932875 0.86218625958185 0.83945075566017 18.998 > 89 96 F 0.80881628932875 0.86218625958185 0.83945075566017 18.998 > 89 97 F 0.19402379481703 0.15589156520679 0.45148613882870 18.998 > 97 98 F 0.69402379481703 0.15589156520679 0.45148613882870 18.998 > 97 99 F 0.19402379481703 0.65589156520679 0.45148613882870 18.998 > 97 100 F 0.69402379481703 0.65589156520679 0.45148613882870 18.998 > 97 101 F 0.19402379481703 0.15589156520679 0.95148613882870 18.998 > 97 102 F 0.69402379481703 0.15589156520679 0.95148613882870 18.998 > 97 103 F 0.19402379481703 0.65589156520679 0.95148613882870 18.998 > 97 104 F 0.69402379481703 0.65589156520679 0.95148613882870 18.998 > 97 105 F 0.34410843479321 0.03813222961024 0.45148613882870 18.998 > 105 106 F 0.84410843479321 0.03813222961024 0.45148613882870 18.998 > 105 107 F 0.34410843479321 0.53813222961024 0.45148613882870 18.998 > 105 108 F 0.84410843479321 0.53813222961024 0.45148613882870 18.998 > 105 109 F 0.34410843479321 0.03813222961024 0.95148613882870 18.998 > 105 110 F 0.84410843479321 0.03813222961024 0.95148613882870 18.998 > 105 111 F 0.34410843479321 0.53813222961024 0.95148613882870 18.998 > 105 112 F 0.84410843479321 0.53813222961024 0.95148613882870 18.998 > 105 113 F 0.36218625958185 0.05336997025310 0.16054924433983 18.998 > 113 114 F 0.86218625958185 0.05336997025310 0.16054924433983 18.998 > 113 115 F 0.36218625958185 0.55336997025310 0.16054924433983 18.998 > 113 116 F 0.86218625958185 0.55336997025310 0.16054924433983 18.998 > 113 117 F 0.36218625958185 0.05336997025310 0.66054924433983 18.998 > 113 118 F 0.86218625958185 0.05336997025310 0.66054924433983 18.998 > 113 119 F 0.36218625958185 0.55336997025310 0.66054924433983 18.998 > 113 120 F 0.86218625958185 0.55336997025310 0.66054924433983 18.998 > 113 121 F 0.30597620518297 0.34410843479321 0.04851386117130 18.998 > 121 122 F 0.80597620518297 0.34410843479321 0.04851386117130 18.998 > 121 123 F 0.30597620518297 0.84410843479321 0.04851386117130 18.998 > 121 124 F 0.80597620518297 0.84410843479321 0.04851386117130 18.998 > 121 125 F 0.30597620518297 0.34410843479321 0.54851386117130 18.998 > 121 126 F 0.80597620518297 0.34410843479321 0.54851386117130 18.998 > 121 127 F 0.30597620518297 0.84410843479321 0.54851386117130 18.998 > 121 128 F 0.80597620518297 0.84410843479321 0.54851386117130 18.998 > 121 129 F 0.44663002974690 0.30881628932875 0.16054924433983 18.998 > 129 130 F 0.94663002974690 0.30881628932875 0.16054924433983 18.998 > 129 131 F 0.44663002974690 0.80881628932875 0.16054924433983 18.998 > 129 132 F 0.94663002974690 0.80881628932875 0.16054924433983 18.998 > 129 133 F 0.44663002974690 0.30881628932875 0.66054924433983 18.998 > 129 134 F 0.94663002974690 0.30881628932875 0.66054924433983 18.998 > 129 135 F 0.44663002974690 0.80881628932875 0.66054924433983 18.998 > 129 136 F 0.94663002974690 0.80881628932875 0.66054924433983 18.998 > 129 137 F 0.05336997025310 0.19118371067125 0.33945075566017 18.998 > 137 138 F 0.55336997025310 0.19118371067125 0.33945075566017 18.998 > 137 139 F 0.05336997025310 0.69118371067125 0.33945075566017 18.998 > 137 140 F 0.55336997025310 0.69118371067125 0.33945075566017 18.998 > 137 141 F 0.05336997025310 0.19118371067125 0.83945075566017 18.998 > 137 142 F 0.55336997025310 0.19118371067125 0.83945075566017 18.998 > 137 143 F 0.05336997025310 0.69118371067125 0.83945075566017 18.998 > 137 144 F 0.55336997025310 0.69118371067125 0.83945075566017 18.998 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3073954 -0.0000000 0.0000000 0.0000000 2.3073954 0.0000000 0.0000000 0.0000000 2.2849871 -------------------------- Born effective charges -------------------------- 1 K 1.1003903 -0.0210809 -0.0000000 0.0210809 1.1003903 0.0000000 -0.0000000 -0.0000000 1.4400809 2 K 1.1003903 -0.0210809 -0.0000000 0.0210809 1.1003903 0.0000000 -0.0000000 -0.0000000 1.4400809 3 Na 1.2280141 0.0261069 -0.0000000 -0.0261069 1.2280141 0.0000000 -0.0000000 -0.0000000 0.9074894 4 Na 1.2280141 0.0261069 -0.0000000 -0.0261069 1.2280141 0.0000000 -0.0000000 -0.0000000 0.9074894 5 Th 4.9809873 0.0088523 -0.0000000 -0.0088523 4.9809873 0.0000000 -0.0000000 -0.0000000 4.6529827 6 Th 4.9809873 0.0088523 -0.0000000 -0.0088523 4.9809873 0.0000000 -0.0000000 -0.0000000 4.6529827 7 F -1.3325252 -0.0415571 0.4689984 -0.0291620 -0.8192991 0.0384581 0.4600544 0.0476325 -1.3336050 8 F -0.8988544 -0.0705035 0.1622914 -0.0736464 -1.8222492 -0.4650410 0.1562098 -0.4078966 -0.9999126 9 F -1.6538192 -0.3622328 0.3215917 -0.3653756 -1.0672843 0.3730690 0.2751439 0.3392299 -0.9999126 10 F -1.6538192 -0.3622328 0.3215917 -0.3653756 -1.0672843 0.3730690 0.2751439 0.3392299 -0.9999126 11 F -0.9782279 0.2337157 -0.2678049 0.2461107 -1.1735964 0.3869355 -0.2712782 0.3746025 -1.3336050 12 F -1.3325252 -0.0415571 0.4689984 -0.0291620 -0.8192991 0.0384581 0.4600544 0.0476325 -1.3336050 13 F -1.5289817 0.4374506 -0.4838830 0.4343077 -1.1921218 0.0919721 -0.4313537 0.0686666 -0.9999126 14 F -0.8988544 -0.0705035 0.1622914 -0.0736464 -1.8222492 -0.4650410 0.1562098 -0.4078966 -0.9999126 15 F -0.9782279 0.2337157 -0.2678049 0.2461107 -1.1735964 0.3869355 -0.2712782 0.3746025 -1.3336050 16 F -1.5289817 0.4374506 -0.4838830 0.4343077 -1.1921218 0.0919721 -0.4313537 0.0686666 -0.9999126 17 F -0.9169833 -0.2107512 -0.2011935 -0.1983561 -1.2348409 -0.4253936 -0.1887762 -0.4222350 -1.3336050 18 F -0.9169833 -0.2107512 -0.2011935 -0.1983561 -1.2348409 -0.4253936 -0.1887762 -0.4222350 -1.3336050 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (xyx) 0.00000009 (xyx) 0.00000009 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (zx) 0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:55:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:55:07]------------------------- 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: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.296292526643526 0.000000000000000 0.000000000000000 b -3.148146263321763 5.452749277731403 0.000000000000000 c 0.000000000000000 0.000000000000000 7.888566790000000 Atomic positions (fractional): 1 K 0.33333333333333 0.66666666666667 0.39155474294143 39.098 2 K 0.66666666666667 0.33333333333333 0.60844525705857 39.098 3 Na 0.00000000000000 0.00000000000000 0.23092857927277 22.990 4 Na 0.00000000000000 0.00000000000000 0.76907142072723 22.990 5 Th 0.66666666666667 0.33333333333333 0.12083824108504 232.038 6 Th 0.33333333333333 0.66666666666667 0.87916175891495 232.038 7 F 0.38236742134250 0.27562748083631 0.32109848867967 18.998 8 F 0.31178313041359 0.92373554077953 0.09702772234260 18.998 9 F 0.07626445922047 0.38804758963406 0.09702772234260 18.998 10 F 0.92373554077953 0.61195241036594 0.90297227765740 18.998 11 F 0.27562748083631 0.89326005949380 0.67890151132033 18.998 12 F 0.61763257865750 0.72437251916370 0.67890151132033 18.998 13 F 0.38804758963406 0.31178313041359 0.90297227765740 18.998 14 F 0.68821686958641 0.07626445922047 0.90297227765740 18.998 15 F 0.72437251916370 0.10673994050620 0.32109848867967 18.998 16 F 0.61195241036594 0.68821686958641 0.09702772234260 18.998 17 F 0.89326005949380 0.61763257865750 0.32109848867967 18.998 18 F 0.10673994050620 0.38236742134250 0.67890151132033 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.592585053287053 0.000000000000000 0.000000000000000 b -6.296292526643526 10.905498555462806 0.000000000000000 c 0.000000000000000 0.000000000000000 15.777133579999999 Atomic positions (fractional): 1 K 0.16666666666667 0.33333333333333 0.19577737147072 39.098 > 1 2 K 0.66666666666667 0.33333333333333 0.19577737147072 39.098 > 1 3 K 0.16666666666667 0.83333333333333 0.19577737147072 39.098 > 1 4 K 0.66666666666667 0.83333333333333 0.19577737147072 39.098 > 1 5 K 0.16666666666667 0.33333333333333 0.69577737147072 39.098 > 1 6 K 0.66666666666667 0.33333333333333 0.69577737147072 39.098 > 1 7 K 0.16666666666667 0.83333333333333 0.69577737147072 39.098 > 1 8 K 0.66666666666667 0.83333333333333 0.69577737147072 39.098 > 1 9 K 0.33333333333333 0.16666666666667 0.30422262852928 39.098 > 9 10 K 0.83333333333333 0.16666666666667 0.30422262852928 39.098 > 9 11 K 0.33333333333333 0.66666666666667 0.30422262852928 39.098 > 9 12 K 0.83333333333333 0.66666666666667 0.30422262852928 39.098 > 9 13 K 0.33333333333333 0.16666666666667 0.80422262852928 39.098 > 9 14 K 0.83333333333333 0.16666666666667 0.80422262852928 39.098 > 9 15 K 0.33333333333333 0.66666666666667 0.80422262852928 39.098 > 9 16 K 0.83333333333333 0.66666666666667 0.80422262852928 39.098 > 9 17 Na 0.00000000000000 0.00000000000000 0.11546428963639 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.11546428963639 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.11546428963639 22.990 > 17 20 Na 0.50000000000000 0.50000000000000 0.11546428963639 22.990 > 17 21 Na 0.00000000000000 0.00000000000000 0.61546428963639 22.990 > 17 22 Na 0.50000000000000 0.00000000000000 0.61546428963639 22.990 > 17 23 Na 0.00000000000000 0.50000000000000 0.61546428963639 22.990 > 17 24 Na 0.50000000000000 0.50000000000000 0.61546428963639 22.990 > 17 25 Na 0.00000000000000 0.00000000000000 0.38453571036361 22.990 > 25 26 Na 0.50000000000000 0.00000000000000 0.38453571036361 22.990 > 25 27 Na 0.00000000000000 0.50000000000000 0.38453571036361 22.990 > 25 28 Na 0.50000000000000 0.50000000000000 0.38453571036361 22.990 > 25 29 Na 0.00000000000000 0.00000000000000 0.88453571036361 22.990 > 25 30 Na 0.50000000000000 0.00000000000000 0.88453571036361 22.990 > 25 31 Na 0.00000000000000 0.50000000000000 0.88453571036361 22.990 > 25 32 Na 0.50000000000000 0.50000000000000 0.88453571036361 22.990 > 25 33 Th 0.33333333333333 0.16666666666667 0.06041912054252 232.038 > 33 34 Th 0.83333333333333 0.16666666666667 0.06041912054252 232.038 > 33 35 Th 0.33333333333333 0.66666666666667 0.06041912054252 232.038 > 33 36 Th 0.83333333333333 0.66666666666667 0.06041912054252 232.038 > 33 37 Th 0.33333333333333 0.16666666666667 0.56041912054252 232.038 > 33 38 Th 0.83333333333333 0.16666666666667 0.56041912054252 232.038 > 33 39 Th 0.33333333333333 0.66666666666667 0.56041912054252 232.038 > 33 40 Th 0.83333333333333 0.66666666666667 0.56041912054252 232.038 > 33 41 Th 0.16666666666667 0.33333333333333 0.43958087945748 232.038 > 41 42 Th 0.66666666666667 0.33333333333333 0.43958087945748 232.038 > 41 43 Th 0.16666666666667 0.83333333333333 0.43958087945748 232.038 > 41 44 Th 0.66666666666667 0.83333333333333 0.43958087945748 232.038 > 41 45 Th 0.16666666666667 0.33333333333333 0.93958087945748 232.038 > 41 46 Th 0.66666666666667 0.33333333333333 0.93958087945748 232.038 > 41 47 Th 0.16666666666667 0.83333333333333 0.93958087945748 232.038 > 41 48 Th 0.66666666666667 0.83333333333333 0.93958087945748 232.038 > 41 49 F 0.19118371067125 0.13781374041815 0.16054924433983 18.998 > 49 50 F 0.69118371067125 0.13781374041815 0.16054924433983 18.998 > 49 51 F 0.19118371067125 0.63781374041815 0.16054924433983 18.998 > 49 52 F 0.69118371067125 0.63781374041815 0.16054924433983 18.998 > 49 53 F 0.19118371067125 0.13781374041815 0.66054924433983 18.998 > 49 54 F 0.69118371067125 0.13781374041815 0.66054924433983 18.998 > 49 55 F 0.19118371067125 0.63781374041815 0.66054924433983 18.998 > 49 56 F 0.69118371067125 0.63781374041815 0.66054924433983 18.998 > 49 57 F 0.15589156520679 0.46186777038976 0.04851386117130 18.998 > 57 58 F 0.65589156520679 0.46186777038976 0.04851386117130 18.998 > 57 59 F 0.15589156520679 0.96186777038976 0.04851386117130 18.998 > 57 60 F 0.65589156520679 0.96186777038976 0.04851386117130 18.998 > 57 61 F 0.15589156520679 0.46186777038976 0.54851386117130 18.998 > 57 62 F 0.65589156520679 0.46186777038976 0.54851386117130 18.998 > 57 63 F 0.15589156520679 0.96186777038976 0.54851386117130 18.998 > 57 64 F 0.65589156520679 0.96186777038976 0.54851386117130 18.998 > 57 65 F 0.03813222961024 0.19402379481703 0.04851386117130 18.998 > 65 66 F 0.53813222961024 0.19402379481703 0.04851386117130 18.998 > 65 67 F 0.03813222961024 0.69402379481703 0.04851386117130 18.998 > 65 68 F 0.53813222961024 0.69402379481703 0.04851386117130 18.998 > 65 69 F 0.03813222961024 0.19402379481703 0.54851386117130 18.998 > 65 70 F 0.53813222961024 0.19402379481703 0.54851386117130 18.998 > 65 71 F 0.03813222961024 0.69402379481703 0.54851386117130 18.998 > 65 72 F 0.53813222961024 0.69402379481703 0.54851386117130 18.998 > 65 73 F 0.46186777038976 0.30597620518297 0.45148613882870 18.998 > 73 74 F 0.96186777038976 0.30597620518297 0.45148613882870 18.998 > 73 75 F 0.46186777038976 0.80597620518297 0.45148613882870 18.998 > 73 76 F 0.96186777038976 0.80597620518297 0.45148613882870 18.998 > 73 77 F 0.46186777038976 0.30597620518297 0.95148613882870 18.998 > 73 78 F 0.96186777038976 0.30597620518297 0.95148613882870 18.998 > 73 79 F 0.46186777038976 0.80597620518297 0.95148613882870 18.998 > 73 80 F 0.96186777038976 0.80597620518297 0.95148613882870 18.998 > 73 81 F 0.13781374041815 0.44663002974690 0.33945075566017 18.998 > 81 82 F 0.63781374041815 0.44663002974690 0.33945075566017 18.998 > 81 83 F 0.13781374041815 0.94663002974690 0.33945075566017 18.998 > 81 84 F 0.63781374041815 0.94663002974690 0.33945075566017 18.998 > 81 85 F 0.13781374041815 0.44663002974690 0.83945075566017 18.998 > 81 86 F 0.63781374041815 0.44663002974690 0.83945075566017 18.998 > 81 87 F 0.13781374041815 0.94663002974690 0.83945075566017 18.998 > 81 88 F 0.63781374041815 0.94663002974690 0.83945075566017 18.998 > 81 89 F 0.30881628932875 0.36218625958185 0.33945075566017 18.998 > 89 90 F 0.80881628932875 0.36218625958185 0.33945075566017 18.998 > 89 91 F 0.30881628932875 0.86218625958185 0.33945075566017 18.998 > 89 92 F 0.80881628932875 0.86218625958185 0.33945075566017 18.998 > 89 93 F 0.30881628932875 0.36218625958185 0.83945075566017 18.998 > 89 94 F 0.80881628932875 0.36218625958185 0.83945075566017 18.998 > 89 95 F 0.30881628932875 0.86218625958185 0.83945075566017 18.998 > 89 96 F 0.80881628932875 0.86218625958185 0.83945075566017 18.998 > 89 97 F 0.19402379481703 0.15589156520679 0.45148613882870 18.998 > 97 98 F 0.69402379481703 0.15589156520679 0.45148613882870 18.998 > 97 99 F 0.19402379481703 0.65589156520679 0.45148613882870 18.998 > 97 100 F 0.69402379481703 0.65589156520679 0.45148613882870 18.998 > 97 101 F 0.19402379481703 0.15589156520679 0.95148613882870 18.998 > 97 102 F 0.69402379481703 0.15589156520679 0.95148613882870 18.998 > 97 103 F 0.19402379481703 0.65589156520679 0.95148613882870 18.998 > 97 104 F 0.69402379481703 0.65589156520679 0.95148613882870 18.998 > 97 105 F 0.34410843479321 0.03813222961024 0.45148613882870 18.998 > 105 106 F 0.84410843479321 0.03813222961024 0.45148613882870 18.998 > 105 107 F 0.34410843479321 0.53813222961024 0.45148613882870 18.998 > 105 108 F 0.84410843479321 0.53813222961024 0.45148613882870 18.998 > 105 109 F 0.34410843479321 0.03813222961024 0.95148613882870 18.998 > 105 110 F 0.84410843479321 0.03813222961024 0.95148613882870 18.998 > 105 111 F 0.34410843479321 0.53813222961024 0.95148613882870 18.998 > 105 112 F 0.84410843479321 0.53813222961024 0.95148613882870 18.998 > 105 113 F 0.36218625958185 0.05336997025310 0.16054924433983 18.998 > 113 114 F 0.86218625958185 0.05336997025310 0.16054924433983 18.998 > 113 115 F 0.36218625958185 0.55336997025310 0.16054924433983 18.998 > 113 116 F 0.86218625958185 0.55336997025310 0.16054924433983 18.998 > 113 117 F 0.36218625958185 0.05336997025310 0.66054924433983 18.998 > 113 118 F 0.86218625958185 0.05336997025310 0.66054924433983 18.998 > 113 119 F 0.36218625958185 0.55336997025310 0.66054924433983 18.998 > 113 120 F 0.86218625958185 0.55336997025310 0.66054924433983 18.998 > 113 121 F 0.30597620518297 0.34410843479321 0.04851386117130 18.998 > 121 122 F 0.80597620518297 0.34410843479321 0.04851386117130 18.998 > 121 123 F 0.30597620518297 0.84410843479321 0.04851386117130 18.998 > 121 124 F 0.80597620518297 0.84410843479321 0.04851386117130 18.998 > 121 125 F 0.30597620518297 0.34410843479321 0.54851386117130 18.998 > 121 126 F 0.80597620518297 0.34410843479321 0.54851386117130 18.998 > 121 127 F 0.30597620518297 0.84410843479321 0.54851386117130 18.998 > 121 128 F 0.80597620518297 0.84410843479321 0.54851386117130 18.998 > 121 129 F 0.44663002974690 0.30881628932875 0.16054924433983 18.998 > 129 130 F 0.94663002974690 0.30881628932875 0.16054924433983 18.998 > 129 131 F 0.44663002974690 0.80881628932875 0.16054924433983 18.998 > 129 132 F 0.94663002974690 0.80881628932875 0.16054924433983 18.998 > 129 133 F 0.44663002974690 0.30881628932875 0.66054924433983 18.998 > 129 134 F 0.94663002974690 0.30881628932875 0.66054924433983 18.998 > 129 135 F 0.44663002974690 0.80881628932875 0.66054924433983 18.998 > 129 136 F 0.94663002974690 0.80881628932875 0.66054924433983 18.998 > 129 137 F 0.05336997025310 0.19118371067125 0.33945075566017 18.998 > 137 138 F 0.55336997025310 0.19118371067125 0.33945075566017 18.998 > 137 139 F 0.05336997025310 0.69118371067125 0.33945075566017 18.998 > 137 140 F 0.55336997025310 0.69118371067125 0.33945075566017 18.998 > 137 141 F 0.05336997025310 0.19118371067125 0.83945075566017 18.998 > 137 142 F 0.55336997025310 0.19118371067125 0.83945075566017 18.998 > 137 143 F 0.05336997025310 0.69118371067125 0.83945075566017 18.998 > 137 144 F 0.55336997025310 0.69118371067125 0.83945075566017 18.998 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3073954 -0.0000000 0.0000000 0.0000000 2.3073954 0.0000000 0.0000000 0.0000000 2.2849871 -------------------------- Born effective charges -------------------------- 1 K 1.1003903 -0.0210809 -0.0000000 0.0210809 1.1003903 0.0000000 -0.0000000 -0.0000000 1.4400809 2 K 1.1003903 -0.0210809 -0.0000000 0.0210809 1.1003903 0.0000000 -0.0000000 -0.0000000 1.4400809 3 Na 1.2280141 0.0261069 -0.0000000 -0.0261069 1.2280141 0.0000000 -0.0000000 -0.0000000 0.9074894 4 Na 1.2280141 0.0261069 -0.0000000 -0.0261069 1.2280141 0.0000000 -0.0000000 -0.0000000 0.9074894 5 Th 4.9809873 0.0088523 -0.0000000 -0.0088523 4.9809873 0.0000000 -0.0000000 -0.0000000 4.6529827 6 Th 4.9809873 0.0088523 -0.0000000 -0.0088523 4.9809873 0.0000000 -0.0000000 -0.0000000 4.6529827 7 F -1.3325252 -0.0415571 0.4689984 -0.0291620 -0.8192991 0.0384581 0.4600544 0.0476325 -1.3336050 8 F -0.8988544 -0.0705035 0.1622914 -0.0736464 -1.8222492 -0.4650410 0.1562098 -0.4078966 -0.9999126 9 F -1.6538192 -0.3622328 0.3215917 -0.3653756 -1.0672843 0.3730690 0.2751439 0.3392299 -0.9999126 10 F -1.6538192 -0.3622328 0.3215917 -0.3653756 -1.0672843 0.3730690 0.2751439 0.3392299 -0.9999126 11 F -0.9782279 0.2337157 -0.2678049 0.2461107 -1.1735964 0.3869355 -0.2712782 0.3746025 -1.3336050 12 F -1.3325252 -0.0415571 0.4689984 -0.0291620 -0.8192991 0.0384581 0.4600544 0.0476325 -1.3336050 13 F -1.5289817 0.4374506 -0.4838830 0.4343077 -1.1921218 0.0919721 -0.4313537 0.0686666 -0.9999126 14 F -0.8988544 -0.0705035 0.1622914 -0.0736464 -1.8222492 -0.4650410 0.1562098 -0.4078966 -0.9999126 15 F -0.9782279 0.2337157 -0.2678049 0.2461107 -1.1735964 0.3869355 -0.2712782 0.3746025 -1.3336050 16 F -1.5289817 0.4374506 -0.4838830 0.4343077 -1.1921218 0.0919721 -0.4313537 0.0686666 -0.9999126 17 F -0.9169833 -0.2107512 -0.2011935 -0.1983561 -1.2348409 -0.4253936 -0.1887762 -0.4222350 -1.3336050 18 F -0.9169833 -0.2107512 -0.2011935 -0.1983561 -1.2348409 -0.4253936 -0.1887762 -0.4222350 -1.3336050 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (xyx) 0.00000009 (xyx) 0.00000009 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.64, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 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 2.528 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.353 ( 0.000 0.000 0.000) 0.000 8.412 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.514 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 0.000) 0.000 14.327 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 14.362 13.031 0.386) 19.396 0.427 ( 20.097 6.684 1.635) 21.243 0.814 ( 32.926 19.415 -0.721) 38.231 2.491 ( -2.873 -1.655 -0.017) 3.316 2.960 ( -3.386 -0.886 4.759) 5.908 2.977 ( -0.924 -2.055 -4.650) 5.167 3.023 ( -1.314 -0.524 -0.583) 1.530 3.220 ( -6.322 -3.828 -6.904) 10.114 3.309 ( 0.928 1.028 8.460) 8.572 3.433 ( -1.689 -1.499 -2.781) 3.582 3.480 ( 1.743 1.682 2.615) 3.564 3.850 ( -1.251 -1.262 -0.025) 1.777 3.909 ( -6.725 -4.030 -2.364) 8.189 4.111 ( -7.750 -3.882 0.516) 8.683 4.210 ( -0.823 -0.825 1.542) 1.933 4.366 ( 0.994 1.280 -1.102) 1.960 4.374 ( 0.505 -0.140 0.329) 0.619 4.506 ( 1.585 0.917 -0.158) 1.838 4.610 ( -1.605 -0.780 1.699) 2.464 4.741 ( -1.035 -0.975 -1.298) 1.925 4.817 ( 3.310 2.018 -0.478) 3.906 5.223 ( -0.430 0.026 -0.029) 0.432 5.318 ( -0.542 -0.298 0.180) 0.644 5.479 ( 3.708 1.854 0.081) 4.146 5.767 ( -5.639 -5.273 0.157) 7.722 5.850 ( -3.482 1.825 -0.744) 4.001 5.904 ( -0.506 -2.046 0.516) 2.170 6.088 ( 5.819 3.352 0.349) 6.725 6.834 ( -5.868 -3.528 -0.036) 6.847 6.937 ( -10.547 -4.431 -12.372) 16.850 7.067 ( 0.602 -3.671 15.532) 15.972 7.271 ( -6.871 4.011 0.744) 7.991 7.287 ( 0.129 -4.336 -1.023) 4.457 7.478 ( 10.490 5.083 2.545) 11.932 7.681 ( -3.555 -2.231 -4.374) 6.062 7.954 ( 0.228 0.164 0.910) 0.952 8.299 ( 2.635 2.090 0.882) 3.477 8.348 ( 0.929 -0.237 0.126) 0.967 8.499 ( 6.386 3.901 -1.267) 7.589 8.671 ( 4.512 2.658 -1.422) 5.426 9.107 ( 0.880 0.243 0.240) 0.944 9.521 ( 0.647 0.114 0.295) 0.720 9.535 ( 1.362 1.283 -0.442) 1.923 9.720 ( -0.425 -0.253 2.486) 2.535 9.937 ( 1.024 1.793 0.529) 2.131 9.967 ( 4.030 1.118 -2.150) 4.703 10.380 ( -0.517 -0.354 -1.037) 1.211 10.505 ( 0.847 0.936 -3.164) 3.407 10.606 ( -0.210 -2.495 0.699) 2.599 10.648 ( 1.197 2.829 2.326) 3.852 10.829 ( -0.474 -0.429 -0.792) 1.018 13.146 ( -10.838 -6.269 0.737) 12.542 13.850 ( 3.982 2.297 0.097) 4.598 14.328 ( 0.054 0.035 -0.037) 0.074 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 14.443 14.045 0.271) 20.148 0.840 ( 19.951 4.685 2.046) 20.596 1.514 ( 24.634 15.572 -0.119) 29.143 2.409 ( -3.739 -2.227 -0.421) 4.372 2.876 ( -4.229 -1.277 2.138) 4.908 2.925 ( -3.489 -1.991 -3.615) 5.404 2.973 ( -2.500 -4.124 0.012) 4.823 3.062 ( -4.069 -4.269 -8.360) 10.231 3.297 ( -8.925 -6.373 0.917) 11.005 3.335 ( -2.461 3.661 9.573) 10.541 3.494 ( -3.125 1.556 2.536) 4.315 3.672 ( -3.889 -7.282 -3.794) 9.085 3.894 ( -8.822 2.607 -1.478) 9.317 3.972 ( 6.604 -5.119 1.313) 8.458 4.154 ( -4.527 -0.658 0.414) 4.593 4.362 ( -0.301 -3.375 0.979) 3.527 4.426 ( 2.211 4.141 -1.061) 4.812 4.519 ( -1.308 -1.122 1.206) 2.103 4.592 ( 0.995 2.591 1.972) 3.405 4.733 ( 1.823 -1.458 -1.503) 2.776 4.877 ( 0.906 2.338 -2.272) 3.384 5.176 ( -6.327 -0.650 -0.557) 6.385 5.339 ( 2.366 1.557 1.095) 3.037 5.485 ( 1.036 -7.531 -0.989) 7.666 5.700 ( -0.307 2.305 0.509) 2.381 5.813 ( -2.715 2.738 -1.011) 3.986 5.895 ( 1.955 -1.425 1.675) 2.943 6.192 ( 1.951 2.284 0.964) 3.155 6.660 ( -6.730 -8.820 0.556) 11.108 6.710 ( -11.056 -0.896 -6.121) 12.669 7.019 ( -1.290 -4.667 7.652) 9.055 7.069 ( -10.661 -6.307 -0.312) 12.391 7.287 ( -1.526 2.728 -1.162) 3.335 7.597 ( 0.674 -0.047 3.090) 3.162 7.735 ( 7.863 4.012 -2.814) 9.265 8.009 ( 3.724 2.208 1.977) 4.759 8.299 ( -0.714 0.162 -0.620) 0.959 8.439 ( 5.754 2.247 0.652) 6.212 8.671 ( 6.868 4.969 -2.434) 8.820 8.791 ( 5.376 2.488 -0.852) 5.985 9.133 ( 1.544 0.165 0.050) 1.554 9.535 ( 1.076 -0.602 0.153) 1.242 9.572 ( 0.110 2.503 -1.240) 2.795 9.728 ( 1.308 0.784 4.604) 4.850 9.961 ( -0.584 0.009 -0.727) 0.932 10.044 ( 3.080 1.183 0.837) 3.404 10.373 ( -0.059 -0.929 -6.389) 6.456 10.541 ( 1.058 3.171 -4.943) 5.968 10.585 ( 1.696 -2.787 1.913) 3.782 10.717 ( 1.905 4.301 1.716) 5.008 10.821 ( 0.990 -0.655 2.334) 2.619 12.837 ( -14.588 -8.495 0.891) 16.905 13.938 ( 3.302 1.882 0.252) 3.809 14.322 ( -0.787 -0.425 0.031) 0.895 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 13.304 10.781 0.253) 17.126 1.222 ( 17.575 5.541 1.581) 18.495 1.945 ( 9.605 7.747 0.429) 12.347 2.322 ( -3.506 -2.172 -0.146) 4.127 2.737 ( -9.789 -4.309 -0.896) 10.733 2.809 ( -0.497 -5.418 -3.272) 6.349 2.932 ( -1.817 0.202 -4.907) 5.237 2.986 ( -3.948 -2.465 2.098) 5.105 3.065 ( -4.939 -4.284 -1.076) 6.625 3.279 ( -6.995 -1.072 4.984) 8.656 3.404 ( -6.401 0.706 3.895) 7.527 3.616 ( 2.071 -0.665 -1.278) 2.523 3.771 ( -3.426 -1.701 -1.494) 4.106 4.060 ( -4.046 -1.010 -0.981) 4.284 4.121 ( 10.174 -1.109 0.426) 10.243 4.298 ( -0.935 -4.458 1.924) 4.945 4.484 ( -1.385 0.778 -0.628) 1.708 4.528 ( 3.148 4.187 1.062) 5.344 4.624 ( -2.987 4.541 3.699) 6.575 4.782 ( 4.615 -0.667 -1.191) 4.812 4.903 ( -1.206 1.744 -3.839) 4.386 5.015 ( -7.103 -2.165 -0.552) 7.446 5.404 ( 2.743 1.999 0.607) 3.448 5.462 ( 5.623 -8.215 -0.922) 9.998 5.713 ( -2.469 3.632 -0.331) 4.404 5.817 ( 0.216 2.733 -0.617) 2.810 5.930 ( 1.311 -1.184 2.561) 3.111 6.172 ( -5.775 0.356 1.654) 6.018 6.438 ( -7.146 -6.300 -0.878) 9.567 6.558 ( -5.686 -1.081 -3.018) 6.527 6.840 ( -5.943 -5.968 -0.834) 8.464 6.944 ( -2.597 -3.844 3.646) 5.900 7.283 ( -1.123 1.295 -0.477) 1.779 7.622 ( 1.016 1.651 0.507) 2.004 7.878 ( 4.174 1.953 1.463) 4.835 8.102 ( 3.762 2.063 1.394) 4.512 8.317 ( 1.694 1.403 -1.978) 2.958 8.574 ( 6.514 2.769 1.965) 7.346 8.809 ( 3.249 3.076 -2.663) 5.207 8.902 ( 4.906 1.368 -0.477) 5.115 9.156 ( 0.850 0.333 -0.436) 1.012 9.537 ( 0.279 -1.802 -0.392) 1.865 9.584 ( -1.471 2.531 -0.860) 3.051 9.781 ( 2.296 2.637 5.686) 6.675 9.911 ( -2.665 -2.173 -0.891) 3.553 10.102 ( 2.828 -0.450 3.106) 4.224 10.330 ( -3.028 -1.495 -9.184) 9.785 10.598 ( 3.224 -1.216 0.582) 3.494 10.623 ( 1.257 4.547 -6.305) 7.874 10.752 ( -0.185 -0.037 -0.129) 0.229 10.910 ( 6.841 3.916 7.287) 10.735 12.491 ( -13.957 -8.227 0.410) 16.207 14.006 ( 2.648 1.453 0.217) 3.028 14.288 ( -2.064 -1.115 0.152) 2.351 ======================= Grid point 4 (5/88) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.816 2.272 0.356) 7.193 1.555 ( 9.939 7.638 0.122) 12.535 2.015 ( -2.338 -2.339 0.042) 3.308 2.251 ( -2.127 -0.717 0.687) 2.348 2.579 ( -3.191 -1.203 -0.719) 3.485 2.715 ( -4.074 -4.149 -1.496) 6.004 2.886 ( 3.040 0.097 -0.569) 3.094 2.976 ( -2.992 4.906 1.080) 5.847 3.023 ( 0.039 -1.318 -1.519) 2.011 3.100 ( -5.346 -6.140 0.070) 8.141 3.332 ( -2.461 0.362 2.481) 3.513 3.679 ( 1.794 1.958 1.872) 3.249 3.733 ( 0.049 -0.731 -2.378) 2.489 4.001 ( -1.148 -0.926 -0.887) 1.721 4.235 ( 3.249 -3.017 -0.007) 4.434 4.290 ( 2.979 -0.007 1.017) 3.148 4.450 ( -1.730 -0.504 -0.277) 1.823 4.582 ( -3.571 3.982 1.193) 5.481 4.662 ( 4.017 5.333 3.670) 7.619 4.794 ( -4.178 -4.875 -4.019) 7.575 4.857 ( 0.964 0.653 0.142) 1.173 4.978 ( 0.540 0.254 -0.892) 1.073 5.472 ( 2.379 -0.815 0.655) 2.598 5.519 ( 7.043 0.365 -0.713) 7.089 5.672 ( -5.296 -0.101 -1.004) 5.391 5.833 ( -3.538 -3.532 1.569) 5.240 5.883 ( 0.139 3.250 -0.252) 3.263 6.075 ( -3.011 -1.839 0.908) 3.643 6.354 ( -1.135 4.602 -0.096) 4.740 6.447 ( -2.882 -6.258 -0.985) 6.960 6.760 ( -0.066 -0.975 -1.379) 1.691 6.866 ( -2.084 -1.998 1.760) 3.381 7.278 ( -0.332 0.281 -0.042) 0.437 7.652 ( 0.407 1.040 0.055) 1.119 7.931 ( 1.011 0.360 0.905) 1.403 8.167 ( 1.555 0.811 0.502) 1.824 8.362 ( 1.241 0.888 -0.992) 1.820 8.715 ( 5.797 2.593 2.654) 6.883 8.826 ( -2.437 -0.832 -2.708) 3.737 8.985 ( 2.587 0.832 -0.160) 2.722 9.175 ( 0.547 0.579 -0.320) 0.858 9.510 ( -0.903 -1.267 -0.357) 1.596 9.579 ( -0.829 0.810 -0.134) 1.167 9.834 ( -0.730 2.671 3.348) 4.344 9.868 ( 1.072 -1.648 -0.584) 2.051 10.126 ( 1.445 -2.185 1.470) 3.004 10.270 ( -2.360 0.546 -4.475) 5.089 10.627 ( 1.468 -1.181 1.188) 2.227 10.680 ( -0.212 3.681 -5.741) 6.823 10.744 ( 0.498 -1.521 1.934) 2.511 11.068 ( 4.668 2.951 3.200) 6.383 12.227 ( -6.807 -4.063 -0.102) 7.929 14.060 ( 1.674 0.893 0.049) 1.898 14.238 ( -1.726 -0.924 0.124) 1.962 ======================= Grid point 10 (6/88) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 11.186 14.709 3.018) 18.724 0.772 ( 8.674 21.295 1.069) 23.019 1.330 ( 16.156 26.112 -0.558) 30.711 2.434 ( -2.090 -3.571 0.361) 4.153 2.900 ( -0.558 -3.799 -8.294) 9.139 2.944 ( -3.371 -1.674 7.608) 8.488 2.982 ( -1.879 -3.600 -0.032) 4.061 3.153 ( -5.167 -2.377 -4.532) 7.272 3.270 ( 1.684 -3.845 2.103) 4.695 3.370 ( -3.494 -6.963 0.215) 7.793 3.498 ( 1.206 -2.159 0.142) 2.478 3.736 ( -8.164 -3.872 0.819) 9.073 3.839 ( 0.890 -6.721 1.561) 6.957 4.028 ( -3.719 -1.090 -1.867) 4.302 4.179 ( 0.285 -2.090 1.719) 2.721 4.355 ( -1.420 -0.220 2.827) 3.171 4.418 ( 2.492 2.284 -3.452) 4.831 4.539 ( 0.529 1.948 -0.252) 2.034 4.584 ( 0.407 -2.416 -1.332) 2.789 4.709 ( -1.719 0.224 1.417) 2.238 4.888 ( 2.928 3.243 -0.423) 4.390 5.214 ( 0.800 -2.345 0.673) 2.567 5.307 ( 0.084 0.195 -1.770) 1.783 5.526 ( -6.025 1.437 1.489) 6.371 5.658 ( 0.751 -3.739 1.094) 3.967 5.824 ( 1.791 -3.120 1.297) 3.825 5.891 ( -1.548 1.024 -1.917) 2.668 6.178 ( 2.868 3.899 -0.483) 4.865 6.689 ( -6.490 -9.026 3.126) 11.548 6.840 ( -0.204 -7.321 -1.338) 7.445 6.954 ( -7.978 -5.018 -3.791) 10.158 7.123 ( -4.708 -8.655 -0.569) 9.869 7.341 ( 2.893 0.012 -1.081) 3.088 7.616 ( -2.162 -1.893 1.159) 3.099 7.665 ( 5.809 10.584 0.206) 12.075 7.985 ( 1.803 2.994 -0.178) 3.499 8.330 ( 1.280 -1.118 0.452) 1.759 8.371 ( 0.107 4.289 0.614) 4.334 8.625 ( 4.976 7.253 -0.281) 8.801 8.755 ( 2.860 5.559 0.328) 6.260 9.138 ( 0.755 2.497 -0.601) 2.677 9.533 ( -0.856 0.500 1.210) 1.564 9.561 ( 2.874 1.320 0.534) 3.208 9.714 ( 0.077 0.218 -0.154) 0.278 9.979 ( 1.856 1.151 -3.335) 3.986 10.018 ( 0.572 3.208 4.301) 5.396 10.377 ( -0.282 0.722 -0.203) 0.801 10.500 ( 0.346 -1.189 2.862) 3.118 10.626 ( -2.130 3.866 -1.164) 4.565 10.684 ( 5.265 0.802 2.186) 5.757 10.818 ( -0.992 -0.187 -3.821) 3.952 12.926 ( -8.223 -14.154 -0.074) 16.370 13.915 ( 1.979 3.453 -0.384) 3.999 14.325 ( -0.274 -0.509 -0.169) 0.602 ======================= Grid point 11 (7/88) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 13.661 11.312 2.787) 17.954 1.148 ( 9.073 21.239 1.948) 23.178 1.798 ( 14.377 9.554 0.922) 17.287 2.355 ( -2.972 -2.915 -0.538) 4.198 2.820 ( -6.619 -5.646 -2.233) 8.982 2.855 ( -4.943 -4.152 0.006) 6.456 2.919 ( 1.258 1.560 -3.176) 3.755 3.019 ( -5.052 -1.425 -6.474) 8.334 3.135 ( -8.215 -9.016 0.244) 12.199 3.315 ( -0.117 -5.792 7.043) 9.119 3.427 ( 0.044 -9.975 3.511) 10.575 3.612 ( -3.848 1.564 -2.960) 5.100 3.771 ( 0.390 -4.852 2.849) 5.640 4.033 ( 1.899 5.365 -2.366) 6.164 4.133 ( -4.457 -2.020 1.060) 5.007 4.292 ( -3.264 -2.104 2.858) 4.822 4.488 ( 0.286 -1.443 -1.160) 1.873 4.531 ( 1.818 4.318 -1.872) 5.045 4.653 ( 5.827 1.646 -1.430) 6.222 4.720 ( 0.690 2.955 1.636) 3.448 4.965 ( 0.322 5.128 -1.177) 5.271 5.185 ( -5.451 0.575 0.163) 5.483 5.309 ( -2.445 -6.856 -1.945) 7.534 5.352 ( 0.943 -1.594 2.178) 2.859 5.702 ( 1.931 -1.262 1.287) 2.642 5.846 ( 3.822 -3.317 0.481) 5.083 5.884 ( -1.620 3.192 -0.889) 3.688 6.244 ( 1.232 1.340 0.104) 1.823 6.460 ( -7.947 -8.814 1.117) 11.920 6.708 ( -10.536 -1.812 -4.005) 11.416 6.802 ( 1.654 -11.944 0.308) 12.062 6.943 ( -5.822 -5.027 0.378) 7.701 7.362 ( -1.872 2.386 -0.504) 3.075 7.596 ( 1.398 -0.782 1.106) 1.947 7.865 ( 4.791 8.747 0.825) 10.007 8.060 ( 2.880 2.640 0.080) 3.908 8.324 ( -0.940 1.693 -1.191) 2.273 8.459 ( 6.330 0.449 1.625) 6.551 8.776 ( 4.348 4.110 -1.282) 6.119 8.871 ( 3.422 6.152 -0.336) 7.048 9.174 ( -0.028 3.114 -0.787) 3.212 9.518 ( -0.376 -1.406 1.130) 1.843 9.623 ( 0.876 2.415 -0.560) 2.629 9.740 ( 2.894 0.313 4.128) 5.051 9.969 ( -3.581 0.452 -2.419) 4.345 10.060 ( 1.890 0.075 4.094) 4.510 10.371 ( -2.385 1.586 -2.502) 3.804 10.514 ( 3.692 -2.124 5.207) 6.728 10.663 ( 0.568 5.648 -5.886) 8.177 10.786 ( -1.628 2.031 -3.231) 4.149 10.815 ( 6.536 1.282 2.589) 7.146 12.606 ( -11.208 -13.361 0.482) 17.446 13.978 ( 2.106 1.955 -0.509) 2.918 14.302 ( -1.230 -1.689 -0.209) 2.100 ======================= Grid point 12 (8/88) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 10.196 9.871 1.450) 14.265 1.506 ( 7.899 17.207 2.369) 19.081 1.997 ( 3.603 -1.870 0.628) 4.107 2.282 ( -2.098 -1.443 -0.015) 2.546 2.626 ( -5.589 -5.456 -0.956) 7.869 2.729 ( -4.345 -2.913 -5.516) 7.602 2.880 ( -5.665 -6.725 1.715) 8.959 2.968 ( 2.061 -4.138 -0.936) 4.717 3.029 ( 1.010 5.039 -3.487) 6.210 3.124 ( -7.187 -12.116 2.592) 14.324 3.335 ( -0.505 -8.066 2.985) 8.615 3.667 ( 3.418 4.362 2.104) 5.928 3.768 ( -0.811 4.228 0.819) 4.383 4.018 ( -3.288 -3.470 0.597) 4.818 4.135 ( 3.391 2.181 -3.330) 5.229 4.247 ( 0.513 -0.017 1.239) 1.341 4.450 ( -0.414 -3.334 -3.323) 4.725 4.654 ( 4.081 6.353 2.107) 7.839 4.744 ( -3.291 6.623 2.008) 7.663 4.782 ( 4.230 1.174 -1.913) 4.789 4.964 ( -9.723 3.247 -0.433) 10.260 5.013 ( -5.356 2.084 -0.054) 5.747 5.321 ( 8.987 -4.936 -0.807) 10.285 5.412 ( 5.215 -1.239 1.039) 5.460 5.696 ( 0.283 -3.997 -0.119) 4.009 5.828 ( -2.004 -2.593 -1.024) 3.433 5.876 ( -0.154 -4.188 1.627) 4.496 6.204 ( -8.014 1.577 1.158) 8.250 6.338 ( 3.449 -2.454 -0.920) 4.332 6.488 ( -8.155 -6.195 -0.666) 10.263 6.755 ( 0.420 -1.039 -2.457) 2.701 6.832 ( -1.290 -5.353 1.025) 5.601 7.342 ( -3.140 3.257 0.372) 4.540 7.619 ( 2.161 -2.246 0.430) 3.147 7.993 ( -0.546 8.734 2.178) 9.018 8.127 ( 2.606 0.592 -1.299) 2.972 8.342 ( 1.099 0.786 -2.208) 2.589 8.592 ( 8.278 -0.229 2.685) 8.705 8.833 ( -0.007 -0.863 -1.903) 2.089 8.995 ( 2.294 7.378 -0.316) 7.733 9.203 ( -0.478 3.539 -0.732) 3.645 9.490 ( -0.217 -2.789 0.896) 2.937 9.622 ( -2.501 0.971 -0.980) 2.856 9.815 ( 4.418 -0.026 6.219) 7.628 9.893 ( -3.992 -0.304 -0.883) 4.100 10.093 ( 1.601 1.337 3.434) 4.018 10.324 ( -3.922 0.631 -1.314) 4.184 10.570 ( 4.143 -1.916 5.011) 6.779 10.722 ( -1.171 3.806 -8.383) 9.280 10.768 ( -1.216 3.163 -3.180) 4.647 10.980 ( 7.848 2.457 2.460) 8.584 12.297 ( -8.857 -10.066 0.378) 13.413 14.033 ( 2.246 1.233 -0.626) 2.637 14.250 ( -1.781 -2.661 -0.243) 3.211 ======================= Grid point 13 (9/88) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.864 9.248 0.261) 9.292 1.639 ( -5.410 -1.122 2.183) 5.941 2.007 ( 1.544 2.949 0.093) 3.330 2.251 ( -1.278 0.599 0.402) 1.468 2.554 ( -0.097 -1.468 -1.241) 1.925 2.659 ( 2.081 -2.083 -1.907) 3.508 2.819 ( 5.608 -4.624 -3.616) 8.119 2.913 ( -2.860 -7.105 2.711) 8.125 2.984 ( 3.586 -2.773 3.071) 5.476 3.102 ( 1.181 3.540 1.113) 3.894 3.259 ( 1.381 -7.596 -3.168) 8.345 3.705 ( -1.568 1.307 1.217) 2.377 3.808 ( -3.500 6.469 2.484) 7.763 3.986 ( 1.570 -0.627 1.287) 2.125 4.195 ( 4.016 -0.804 -2.214) 4.656 4.290 ( 2.227 0.469 -1.730) 2.859 4.421 ( 1.148 -2.634 -3.743) 4.719 4.666 ( -8.897 2.937 0.455) 9.380 4.739 ( -7.141 1.279 -1.824) 7.481 4.813 ( 1.975 8.118 2.357) 8.681 4.887 ( -1.417 2.132 1.147) 2.805 4.999 ( -1.362 2.123 0.607) 2.594 5.446 ( 5.905 -0.927 0.784) 6.029 5.499 ( 5.548 -5.751 0.206) 7.993 5.615 ( -0.250 -2.904 -1.463) 3.261 5.753 ( -0.461 -4.229 0.697) 4.311 5.857 ( 1.843 -3.002 0.477) 3.555 6.123 ( -2.401 3.535 -0.533) 4.307 6.306 ( -3.805 -5.716 -0.442) 6.881 6.441 ( 4.195 3.388 0.492) 5.414 6.767 ( -0.376 -0.463 1.327) 1.455 6.797 ( 3.731 -2.293 -2.732) 5.161 7.326 ( -2.513 3.649 0.606) 4.472 7.617 ( 1.119 -3.663 0.080) 3.831 8.031 ( -4.460 7.823 1.198) 9.084 8.157 ( 0.834 -1.068 -2.238) 2.616 8.357 ( 0.369 -1.086 -0.958) 1.494 8.710 ( 3.516 -3.293 1.634) 5.087 8.787 ( -0.213 -1.689 -1.241) 2.107 9.068 ( -2.747 5.775 0.298) 6.402 9.218 ( -2.096 3.245 -0.225) 3.869 9.472 ( 1.810 -2.187 1.311) 3.127 9.587 ( -1.348 0.480 -0.641) 1.568 9.813 ( -1.439 -3.073 -1.180) 3.593 9.892 ( 1.318 1.544 3.864) 4.365 10.162 ( 2.443 5.616 5.085) 7.960 10.251 ( -3.515 -1.728 0.031) 3.917 10.602 ( 2.588 -4.254 7.127) 8.694 10.709 ( -3.356 4.398 -4.706) 7.263 10.795 ( -1.211 3.638 -4.800) 6.144 11.073 ( 0.911 -2.474 -2.584) 3.692 12.154 ( 1.851 -2.853 0.513) 3.439 14.068 ( 0.133 -0.016 -0.693) 0.706 14.210 ( 0.838 -1.662 -0.432) 1.910 ======================= Grid point 15 (10/88) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -16.130 -5.601 2.022) 17.194 1.518 ( -14.352 5.134 -0.921) 15.270 1.977 ( -3.949 -6.749 1.723) 8.007 2.279 ( 3.082 1.610 -0.432) 3.504 2.631 ( 7.337 4.512 -1.447) 8.735 2.789 ( 10.657 -0.762 1.178) 10.749 2.876 ( 0.284 4.077 3.167) 5.171 2.902 ( 6.691 -2.431 -5.034) 8.719 3.056 ( 3.322 1.988 4.911) 6.254 3.156 ( 3.936 -0.053 0.378) 3.954 3.247 ( 6.744 -7.124 -6.777) 11.923 3.673 ( -3.174 0.400 0.225) 3.207 3.764 ( -3.639 1.534 4.250) 5.801 4.027 ( 1.969 1.575 1.624) 2.999 4.256 ( 1.282 -3.919 -0.589) 4.165 4.295 ( -0.193 2.003 -1.883) 2.756 4.440 ( 2.457 -1.693 -3.424) 4.542 4.553 ( -4.417 2.181 -1.788) 5.241 4.624 ( -6.541 1.555 -2.758) 7.267 4.848 ( -3.648 -0.533 1.097) 3.846 4.927 ( -0.003 7.385 3.553) 8.196 5.001 ( -0.407 3.593 1.458) 3.899 5.402 ( -1.544 -6.108 -0.208) 6.304 5.526 ( 5.458 -6.294 1.489) 8.463 5.642 ( -2.529 2.785 0.089) 3.763 5.767 ( 4.134 -5.833 0.063) 7.150 5.895 ( 5.114 1.821 -1.864) 5.740 6.152 ( -1.928 3.660 -1.485) 4.395 6.294 ( 9.401 -0.077 0.921) 9.447 6.529 ( 2.395 1.918 1.505) 3.417 6.783 ( 3.764 -0.866 -0.798) 3.944 6.870 ( 5.115 -0.071 -1.856) 5.442 7.325 ( -2.224 4.147 0.708) 4.759 7.595 ( 0.817 -3.260 -0.396) 3.385 7.995 ( -6.929 4.546 0.021) 8.288 8.132 ( -1.966 -1.700 -2.630) 3.698 8.334 ( -1.354 -0.948 0.754) 1.817 8.613 ( -4.017 -6.830 -1.111) 8.001 8.821 ( 0.503 -0.373 1.646) 1.761 9.011 ( -6.984 1.524 0.425) 7.161 9.202 ( -2.580 2.619 -0.059) 3.677 9.503 ( 2.960 -1.670 1.811) 3.851 9.593 ( -0.846 3.085 0.767) 3.290 9.763 ( -0.182 -3.560 -3.183) 4.779 9.924 ( 0.426 2.898 1.466) 3.275 10.158 ( -3.812 -2.288 -1.737) 4.773 10.290 ( 4.052 5.540 9.644) 11.837 10.568 ( -0.075 -6.203 8.345) 10.398 10.706 ( -3.314 5.689 -1.918) 6.858 10.786 ( -2.800 1.473 -3.312) 4.580 10.970 ( -5.527 -6.005 -7.900) 11.359 12.301 ( 13.107 2.693 0.322) 13.385 14.035 ( -2.229 -1.312 -0.789) 2.704 14.248 ( 3.231 0.194 -0.510) 3.276 ======================= Grid point 16 (11/88) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -17.909 -4.130 2.197) 18.510 1.200 ( -22.455 -0.414 -0.050) 22.459 1.763 ( -14.191 -5.991 0.923) 15.432 2.357 ( 3.930 0.963 -0.050) 4.047 2.816 ( 6.663 3.136 1.042) 7.438 2.872 ( 1.683 1.481 -5.046) 5.522 2.931 ( 3.945 -3.010 3.245) 5.929 3.096 ( 3.789 7.206 5.686) 9.930 3.137 ( 10.139 1.731 -2.162) 10.510 3.207 ( 4.938 -3.473 -5.872) 8.422 3.379 ( 9.538 -0.278 -2.054) 9.761 3.676 ( 4.145 3.063 2.891) 5.910 3.738 ( 0.955 -3.781 2.386) 4.572 4.064 ( -0.233 -0.710 -1.524) 1.697 4.158 ( -3.901 0.707 0.555) 4.004 4.352 ( 2.954 -2.154 4.045) 5.452 4.440 ( -1.474 2.006 -3.282) 4.119 4.554 ( -2.550 4.089 -2.831) 5.589 4.560 ( 0.790 -2.137 -3.409) 4.100 4.764 ( -3.402 -2.484 2.096) 4.705 4.929 ( -3.816 3.851 1.516) 5.629 5.108 ( 4.322 6.375 1.507) 7.848 5.338 ( -0.601 -3.665 -1.241) 3.916 5.534 ( 6.349 -11.275 1.604) 13.039 5.629 ( -3.423 5.808 1.027) 6.819 5.775 ( 1.602 -0.058 0.253) 1.622 5.931 ( -1.585 -1.223 -2.303) 3.052 6.196 ( 1.457 2.545 -1.429) 3.262 6.512 ( 11.119 -0.763 3.041) 11.552 6.630 ( 6.949 7.483 0.732) 10.239 6.864 ( 8.216 -5.495 -4.642) 10.920 6.972 ( 6.432 0.606 -0.694) 6.497 7.331 ( -2.076 4.434 0.445) 4.916 7.590 ( 1.042 -0.876 -0.654) 1.510 7.871 ( -9.734 -0.118 0.388) 9.743 8.062 ( -3.938 -1.242 -2.004) 4.590 8.313 ( -0.935 1.639 1.117) 2.193 8.477 ( -3.731 -5.659 -0.203) 6.781 8.762 ( -5.950 -0.797 1.321) 6.147 8.885 ( -7.177 -0.894 0.300) 7.239 9.182 ( -2.405 1.312 -0.463) 2.778 9.529 ( 1.844 -1.561 1.833) 3.032 9.589 ( -2.886 2.694 1.315) 4.162 9.732 ( -0.541 -1.591 -2.813) 3.277 9.973 ( 0.821 3.002 0.094) 3.113 10.074 ( -2.362 -2.718 -0.661) 3.661 10.389 ( 0.458 3.321 8.508) 9.144 10.498 ( -0.043 -4.755 6.288) 7.884 10.697 ( -4.129 5.671 -0.472) 7.031 10.721 ( -3.738 -2.806 -2.218) 5.173 10.843 ( -2.341 -2.649 -7.712) 8.484 12.608 ( 17.084 2.909 -0.236) 17.332 13.979 ( -2.790 -0.896 -0.779) 3.033 14.301 ( 2.120 0.272 -0.334) 2.164 ======================= Grid point 21 (12/88) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 8.728 14.684 2.484) 17.262 1.589 ( 9.019 20.472 1.607) 22.428 1.884 ( 3.322 0.448 1.412) 3.638 2.297 ( -1.525 -2.506 -0.531) 2.981 2.687 ( -6.864 -6.740 -1.339) 9.713 2.759 ( -3.056 -6.182 -1.844) 7.139 2.866 ( -2.212 -8.025 0.923) 8.375 2.968 ( -4.668 -4.266 -3.401) 7.180 3.060 ( -1.589 1.958 -7.140) 7.572 3.127 ( -6.288 -11.219 1.142) 12.912 3.205 ( 1.371 -8.523 8.053) 11.806 3.663 ( 1.619 3.998 -0.613) 4.357 3.792 ( 3.768 5.103 3.650) 7.319 4.052 ( -2.741 -4.199 2.844) 5.765 4.153 ( -2.269 4.261 -2.292) 5.344 4.286 ( -2.780 0.934 -0.542) 2.983 4.423 ( -1.593 -4.097 -5.351) 6.925 4.625 ( 6.077 4.428 -0.412) 7.530 4.692 ( 7.258 3.584 -2.054) 8.351 4.820 ( 0.560 5.218 2.220) 5.698 5.055 ( 5.417 2.430 0.889) 6.003 5.135 ( 5.890 -4.464 1.252) 7.496 5.238 ( -12.890 -0.004 -0.650) 12.907 5.349 ( -3.609 1.683 1.693) 4.327 5.675 ( -2.499 -1.622 0.758) 3.074 5.759 ( 3.477 -4.852 -0.812) 6.024 5.894 ( -3.794 -3.271 -0.730) 5.062 6.227 ( 4.823 -0.334 -0.755) 4.893 6.312 ( -5.658 -8.486 0.609) 10.218 6.543 ( -3.883 -5.547 0.568) 6.795 6.735 ( -2.376 -1.252 -2.962) 3.998 6.858 ( -4.144 -3.172 0.531) 5.245 7.393 ( 1.411 1.044 0.232) 1.770 7.561 ( -0.037 -2.167 0.095) 2.169 8.047 ( 4.674 7.940 0.233) 9.217 8.114 ( 1.052 2.492 -2.347) 3.582 8.351 ( 1.449 0.889 0.173) 1.709 8.495 ( 0.560 3.630 0.877) 3.776 8.823 ( 0.509 0.044 -0.126) 0.526 9.021 ( 3.938 7.851 -0.245) 8.787 9.233 ( 1.322 2.632 -0.529) 2.992 9.479 ( -1.667 -2.229 1.491) 3.158 9.671 ( 1.484 2.184 1.091) 2.857 9.717 ( 1.558 -2.816 1.053) 3.386 9.950 ( -2.709 -2.362 -0.496) 3.628 10.098 ( 0.618 4.556 2.446) 5.208 10.419 ( -0.622 0.123 7.203) 7.230 10.457 ( 0.910 -1.790 6.444) 6.749 10.771 ( 1.449 4.228 -5.306) 6.937 10.838 ( 0.543 3.071 -7.533) 8.153 10.865 ( 4.516 3.851 -1.053) 6.028 12.327 ( -7.797 -13.141 0.408) 15.285 14.018 ( 1.096 2.067 -1.006) 2.547 14.251 ( -1.778 -3.247 -0.528) 3.739 ======================= Grid point 22 (13/88) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 7.382 11.753 1.229) 13.933 1.796 ( -7.822 5.712 4.104) 10.520 1.972 ( 8.264 4.328 -0.170) 9.331 2.272 ( -0.018 0.501 -0.338) 0.605 2.541 ( -1.784 -3.254 -2.283) 4.357 2.638 ( -4.993 -5.915 -1.031) 7.809 2.742 ( 0.064 -7.297 -1.217) 7.399 2.872 ( -2.660 -3.293 -2.463) 4.897 2.905 ( -1.703 -6.488 1.723) 6.925 3.091 ( 2.665 -3.164 -6.760) 7.925 3.146 ( 0.346 -5.485 8.270) 9.930 3.745 ( 1.063 3.319 3.075) 4.648 3.923 ( -3.200 0.169 2.418) 4.015 3.939 ( 2.785 4.409 2.513) 5.789 4.187 ( -0.525 2.454 -4.670) 5.302 4.278 ( 0.297 1.942 -2.421) 3.118 4.356 ( 0.380 -5.434 -5.349) 7.634 4.780 ( 2.436 6.185 1.176) 6.751 4.825 ( 2.063 3.032 -0.793) 3.752 4.870 ( -0.098 4.816 0.869) 4.895 5.008 ( -10.526 1.839 -0.280) 10.689 5.097 ( -3.588 4.593 1.311) 5.973 5.269 ( 10.651 -0.686 0.424) 10.681 5.354 ( 2.813 -4.270 1.676) 5.381 5.564 ( -1.941 -8.181 -1.105) 8.480 5.764 ( -1.646 -2.448 0.099) 2.952 5.778 ( 0.260 -4.540 0.732) 4.606 6.157 ( -2.822 -5.266 -0.309) 5.983 6.341 ( 3.657 2.196 -0.758) 4.332 6.422 ( -4.365 0.207 0.259) 4.377 6.706 ( 1.140 -4.106 -1.876) 4.656 6.793 ( -1.269 0.733 1.057) 1.807 7.405 ( -1.880 3.005 0.179) 3.549 7.546 ( 1.790 -4.276 0.159) 4.638 8.146 ( 0.103 1.716 -3.394) 3.805 8.164 ( 0.234 5.405 0.349) 5.421 8.370 ( -1.821 3.582 -0.455) 4.044 8.580 ( 6.539 -1.363 2.480) 7.125 8.782 ( -1.896 -3.630 -1.543) 4.376 9.158 ( 1.234 7.541 -0.222) 7.645 9.282 ( -0.108 3.992 0.077) 3.994 9.427 ( -0.440 -3.285 1.239) 3.538 9.636 ( -3.632 0.805 -0.672) 3.781 9.761 ( 3.954 -4.654 3.463) 7.021 9.879 ( -1.314 -0.933 0.330) 1.645 10.186 ( 2.131 6.908 5.221) 8.918 10.346 ( -6.328 0.958 4.707) 7.945 10.488 ( 4.512 -5.409 6.993) 9.925 10.832 ( -3.186 6.585 -8.671) 11.345 10.839 ( 0.077 2.875 -4.095) 5.004 10.996 ( 5.222 -1.005 -2.821) 6.019 12.112 ( -3.073 -7.259 0.699) 7.914 14.062 ( 1.323 1.812 -1.054) 2.479 14.183 ( -1.138 -3.686 -0.699) 3.921 ======================= Grid point 23 (14/88) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -14.387 -2.478 2.638) 14.835 1.759 ( -0.674 11.380 -0.596) 11.415 2.005 ( -7.802 -5.733 3.378) 10.254 2.267 ( -0.598 0.760 -0.211) 0.990 2.554 ( 5.538 0.911 -2.904) 6.319 2.610 ( 6.658 0.303 -0.654) 6.697 2.743 ( 5.976 -4.088 -1.067) 7.319 2.864 ( 3.883 1.731 -1.256) 4.433 2.941 ( 7.647 -0.843 1.218) 7.789 3.072 ( 3.369 -7.567 -5.565) 9.979 3.137 ( 0.528 0.035 5.998) 6.022 3.732 ( -3.713 1.231 1.869) 4.335 3.910 ( -3.488 2.155 2.659) 4.887 3.978 ( 0.941 -0.452 4.307) 4.432 4.191 ( -0.003 0.422 -4.245) 4.265 4.302 ( 0.171 -0.003 -3.357) 3.361 4.353 ( 4.210 -3.142 -5.480) 7.592 4.731 ( -9.556 4.002 -1.082) 10.417 4.790 ( -7.074 2.706 -0.339) 7.581 4.899 ( -1.911 -0.266 0.954) 2.152 5.013 ( 1.045 9.008 1.502) 9.192 5.084 ( -3.324 6.144 1.392) 7.123 5.291 ( 1.607 -12.093 -0.108) 12.199 5.392 ( 2.781 -4.991 2.415) 6.203 5.568 ( 9.473 -2.330 -1.294) 9.841 5.710 ( -0.886 1.112 0.362) 1.468 5.808 ( 4.687 -1.994 0.047) 5.093 6.147 ( 5.469 0.144 -0.474) 5.491 6.281 ( -6.724 2.302 -0.640) 7.136 6.480 ( 4.009 -0.050 0.538) 4.045 6.701 ( 2.804 -2.667 -1.842) 4.286 6.810 ( 1.842 0.304 0.884) 2.066 7.403 ( -1.975 3.367 0.353) 3.920 7.536 ( 1.924 -3.296 -0.183) 3.821 8.145 ( -2.273 1.351 -4.028) 4.818 8.165 ( -3.882 1.800 0.372) 4.295 8.365 ( -2.564 3.326 0.443) 4.223 8.592 ( -1.303 -6.792 0.921) 6.977 8.777 ( 3.831 0.241 -0.414) 3.861 9.160 ( -6.774 2.481 -0.044) 7.214 9.282 ( -3.383 2.114 0.124) 3.992 9.432 ( 3.337 -1.463 1.503) 3.942 9.632 ( 0.780 4.423 0.578) 4.528 9.732 ( -0.490 -4.441 0.316) 4.479 9.900 ( 3.083 -0.718 1.272) 3.412 10.214 ( -5.913 -1.169 4.452) 7.493 10.321 ( 1.935 8.096 6.067) 10.301 10.487 ( 2.045 -6.230 7.395) 9.883 10.819 ( -3.409 3.761 -3.512) 6.172 10.866 ( -2.334 4.228 -6.022) 7.720 10.982 ( -2.640 -5.572 -6.302) 8.817 12.114 ( 7.991 -1.071 0.775) 8.100 14.063 ( -2.164 -0.304 -1.046) 2.423 14.182 ( 3.696 -0.794 -0.783) 3.860 ======================= Grid point 31 (15/88) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -2.605 -5.209 1.699) 6.067 1.754 ( 2.605 5.209 1.699) 6.067 2.076 ( -0.000 -0.000 3.096) 3.096 2.288 ( -0.000 -0.000 -0.740) 0.740 2.500 ( -0.000 0.000 -2.708) 2.708 2.599 ( -1.935 -3.870 -0.625) 4.371 2.599 ( 1.935 3.870 -0.625) 4.371 2.855 ( -0.488 -0.977 -1.254) 1.663 2.855 ( 0.488 0.977 -1.254) 1.663 2.980 ( -0.000 -0.000 -2.705) 2.705 3.134 ( -0.000 -0.000 4.450) 4.450 3.825 ( -2.247 -4.494 3.863) 6.338 3.825 ( 2.247 4.494 3.863) 6.338 4.052 ( -0.000 -0.000 3.000) 3.000 4.246 ( -1.944 -3.888 -6.200) 7.572 4.246 ( 1.944 3.888 -6.200) 7.572 4.303 ( -0.000 -0.000 -2.939) 2.939 4.865 ( -0.697 -1.393 0.382) 1.604 4.865 ( 0.697 1.393 0.382) 1.604 4.974 ( -2.967 -5.934 -0.678) 6.669 4.974 ( 2.967 5.934 -0.678) 6.669 5.189 ( -0.000 -0.000 0.671) 0.671 5.264 ( -1.554 -3.107 1.596) 3.823 5.264 ( 1.554 3.107 1.596) 3.823 5.458 ( -0.000 -0.000 0.379) 0.379 5.732 ( -0.510 -1.019 0.193) 1.156 5.732 ( 0.510 1.019 0.193) 1.156 6.095 ( -0.000 -0.000 -0.523) 0.523 6.404 ( -1.630 -3.260 -0.213) 3.651 6.404 ( 1.630 3.260 -0.213) 3.651 6.654 ( -0.000 -0.000 -1.792) 1.792 6.801 ( -0.000 -0.000 1.586) 1.586 7.468 ( -1.451 -2.902 -0.027) 3.245 7.468 ( 1.451 2.902 -0.027) 3.245 8.185 ( -0.720 -1.439 -2.967) 3.375 8.185 ( 0.720 1.439 -2.967) 3.375 8.499 ( -3.070 -6.141 2.192) 7.207 8.499 ( 3.070 6.141 2.192) 7.207 8.734 ( -0.000 -0.000 -1.733) 1.733 9.250 ( -0.000 -0.000 -0.536) 0.536 9.358 ( -1.570 -3.139 0.929) 3.631 9.358 ( 1.570 3.139 0.929) 3.631 9.673 ( -1.384 -2.768 1.127) 3.294 9.673 ( 1.384 2.768 1.127) 3.294 9.866 ( -0.000 -0.000 0.751) 0.751 10.322 ( -2.026 -4.052 7.308) 8.599 10.322 ( 2.026 4.052 7.308) 8.599 10.406 ( 0.000 -0.000 4.488) 4.488 10.872 ( -0.000 -0.000 -4.240) 4.240 10.945 ( -1.635 -3.269 -6.363) 7.339 10.945 ( 1.635 3.269 -6.363) 7.339 12.032 ( -0.000 -0.000 0.925) 0.925 14.112 ( -1.374 -2.748 -1.007) 3.233 14.112 ( 1.374 2.748 -1.007) 3.233 ======================= Grid point 91 (16/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -0.000 0.000 17.331) 17.331 0.387 ( 0.000 -0.000 17.331) 17.331 0.734 ( 0.000 0.000 32.747) 32.747 2.719 ( -0.000 -0.000 6.542) 6.542 2.788 ( 0.000 0.000 -13.602) 13.602 2.788 ( 0.000 -0.000 -13.602) 13.602 3.128 ( -0.000 -0.000 7.078) 7.078 3.375 ( 0.000 0.000 2.499) 2.499 3.375 ( 0.000 -0.000 2.499) 2.499 3.569 ( 0.000 0.000 11.433) 11.433 3.569 ( 0.000 -0.000 11.433) 11.433 3.762 ( -0.000 0.000 -6.024) 6.024 4.201 ( 0.000 0.000 -0.863) 0.863 4.201 ( -0.000 -0.000 -0.863) 0.863 4.334 ( -0.000 0.000 -0.782) 0.782 4.347 ( 0.000 0.000 -1.096) 1.096 4.347 ( -0.000 0.000 -1.096) 1.096 4.406 ( 0.000 0.000 -6.220) 6.220 4.745 ( 0.000 0.000 -1.416) 1.416 4.745 ( 0.000 -0.000 -1.416) 1.416 4.942 ( -0.000 0.000 -4.613) 4.613 5.258 ( -0.000 0.000 1.657) 1.657 5.323 ( 0.000 0.000 -0.566) 0.566 5.323 ( 0.000 0.000 -0.566) 0.566 5.844 ( 0.000 0.000 -1.618) 1.618 5.844 ( 0.000 -0.000 -1.618) 1.618 5.906 ( 0.000 0.000 -3.335) 3.335 5.952 ( 0.000 0.000 1.550) 1.550 5.952 ( -0.000 -0.000 1.550) 1.550 6.974 ( 0.000 0.000 5.168) 5.168 7.264 ( 0.000 0.000 -0.991) 0.991 7.264 ( 0.000 -0.000 -0.991) 0.991 7.343 ( 0.000 0.000 0.393) 0.393 7.343 ( 0.000 0.000 0.393) 0.393 7.999 ( -0.000 0.000 1.959) 1.959 8.110 ( 0.000 0.000 1.738) 1.738 8.248 ( -0.000 -0.000 1.234) 1.234 8.248 ( 0.000 0.000 1.234) 1.234 8.400 ( 0.000 0.000 -1.170) 1.170 8.662 ( -0.000 0.000 -5.875) 5.875 9.093 ( 0.000 0.000 -0.519) 0.519 9.093 ( -0.000 -0.000 -0.519) 0.519 9.511 ( 0.000 -0.000 -0.269) 0.269 9.511 ( 0.000 -0.000 -0.269) 0.269 9.941 ( 0.000 0.000 2.291) 2.291 9.941 ( 0.000 0.000 2.291) 2.291 10.413 ( 0.000 0.000 1.996) 1.996 10.419 ( 0.000 0.000 -5.293) 5.293 10.419 ( 0.000 -0.000 -5.293) 5.293 10.670 ( 0.000 0.000 2.976) 2.976 10.670 ( 0.000 -0.000 2.976) 2.976 13.637 ( 0.000 0.000 -0.119) 0.119 13.786 ( 0.000 0.000 -0.180) 0.180 14.384 ( 0.000 0.000 0.049) 0.049 ======================= Grid point 92 (17/88) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 10.795 10.834 12.047) 19.469 0.649 ( 13.090 7.812 14.386) 20.960 1.002 ( 22.308 11.754 16.947) 30.381 2.592 ( -7.473 -1.724 3.840) 8.577 2.740 ( 0.935 -4.935 -8.110) 9.540 2.883 ( 2.171 2.473 -10.636) 11.134 3.104 ( -1.744 -1.101 6.539) 6.857 3.272 ( -8.978 -2.912 7.384) 11.984 3.402 ( 1.973 -2.679 1.028) 3.483 3.480 ( -1.665 -0.673 5.151) 5.455 3.639 ( 1.602 1.086 11.220) 11.385 3.793 ( 0.983 1.802 -4.813) 5.233 3.923 ( -14.776 -7.035 1.622) 16.446 4.116 ( -7.594 -4.075 -0.174) 8.620 4.284 ( -0.458 -2.860 -0.678) 2.975 4.292 ( -4.847 2.200 -0.762) 5.377 4.415 ( 3.254 -1.431 -1.576) 3.888 4.447 ( 2.150 -0.383 -1.941) 2.922 4.660 ( -4.959 0.031 1.344) 5.138 4.706 ( -1.112 -2.856 -1.318) 3.336 4.791 ( 1.675 1.210 -1.826) 2.757 5.238 ( -0.944 0.748 1.336) 1.798 5.311 ( 1.378 -2.990 -0.457) 3.323 5.470 ( 2.709 5.030 -0.946) 5.791 5.770 ( -5.169 -4.073 0.048) 6.581 5.822 ( -4.057 2.431 -1.403) 4.933 5.926 ( 0.233 -2.862 0.964) 3.029 6.070 ( 5.683 2.755 -1.518) 6.495 6.411 ( 16.892 9.434 -23.232) 30.233 6.904 ( -5.641 -4.058 4.493) 8.275 7.164 ( -3.725 -6.556 -0.813) 7.584 7.267 ( -2.106 3.624 -0.368) 4.207 7.304 ( -2.441 -6.467 0.854) 6.965 7.399 ( 5.087 6.030 -2.686) 8.334 7.832 ( -10.264 -6.614 6.592) 13.877 8.020 ( 1.639 0.099 4.608) 4.892 8.308 ( 2.945 3.018 -2.159) 4.738 8.323 ( 2.920 2.600 1.307) 4.123 8.479 ( 3.026 1.080 -1.876) 3.721 8.668 ( 3.552 3.023 0.216) 4.669 9.104 ( 1.317 -0.534 -0.511) 1.510 9.428 ( 8.304 9.727 -12.920) 18.180 9.521 ( 0.546 1.082 -0.404) 1.278 9.554 ( 6.745 0.944 -2.664) 7.314 9.927 ( 1.206 -1.280 0.799) 1.932 10.018 ( 3.253 4.502 3.762) 6.708 10.302 ( -2.198 -5.353 -2.691) 6.382 10.408 ( -1.016 3.058 -4.847) 5.820 10.576 ( 0.918 2.622 -2.424) 3.687 10.684 ( 0.510 3.131 1.068) 3.347 10.774 ( 10.579 0.839 1.038) 10.663 13.343 ( -18.760 -10.889 7.573) 22.975 13.828 ( 3.483 1.744 -1.380) 4.133 14.355 ( -0.996 -0.718 1.362) 1.834 ======================= Grid point 93 (18/88) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 12.333 11.965 8.772) 19.293 0.970 ( 14.999 7.305 9.780) 19.338 1.551 ( 20.396 14.161 2.848) 24.993 2.461 ( -4.932 -2.529 3.223) 6.412 2.711 ( 0.971 -4.225 -6.429) 7.754 2.892 ( -2.107 -2.633 -6.252) 7.104 3.037 ( -3.436 -2.236 6.110) 7.358 3.086 ( -6.243 -3.692 8.007) 10.803 3.336 ( -4.872 -5.246 3.446) 7.946 3.465 ( -4.047 2.783 2.147) 5.360 3.563 ( -10.588 -5.312 0.701) 11.867 3.691 ( 1.171 -1.984 7.391) 7.742 3.846 ( -5.422 3.894 -3.120) 7.369 3.967 ( 2.890 -5.307 -1.494) 6.225 4.165 ( -8.026 -1.249 0.172) 8.125 4.314 ( 0.723 3.262 -3.551) 4.876 4.439 ( 2.123 -2.903 1.540) 3.913 4.496 ( 2.828 0.810 -3.423) 4.514 4.617 ( -0.087 -1.974 -0.375) 2.011 4.699 ( 1.822 2.138 -2.016) 3.458 4.817 ( -0.477 1.155 -2.417) 2.721 5.182 ( -6.789 -0.437 1.021) 6.879 5.335 ( 3.202 -1.297 -0.905) 3.571 5.490 ( 0.347 -4.602 1.164) 4.760 5.699 ( -2.380 4.134 -0.502) 4.797 5.792 ( -1.443 1.619 -0.788) 2.307 5.931 ( 3.031 -1.243 1.217) 3.495 6.173 ( 2.793 1.718 -2.284) 3.996 6.539 ( -2.694 1.403 -9.689) 10.154 6.698 ( -9.073 -9.128 2.901) 13.193 7.030 ( -7.329 -4.986 -1.949) 9.076 7.122 ( -5.839 -7.951 1.340) 9.955 7.276 ( -0.455 1.822 0.402) 1.921 7.576 ( 4.965 3.568 -4.670) 7.693 7.725 ( 2.782 1.449 2.057) 3.751 8.075 ( 2.429 0.743 3.813) 4.582 8.290 ( -1.994 -0.194 -0.359) 2.035 8.455 ( 6.312 4.296 0.956) 7.695 8.599 ( 5.974 3.821 -4.123) 8.203 8.788 ( 5.304 2.813 0.545) 6.028 9.125 ( 1.513 -0.649 -0.766) 1.816 9.505 ( -0.626 2.742 -3.149) 4.222 9.547 ( 0.575 1.937 -0.602) 2.108 9.735 ( 7.007 4.267 -3.868) 9.070 9.932 ( 0.244 -1.489 0.153) 1.516 10.131 ( 3.202 5.472 5.359) 8.301 10.218 ( -1.743 -4.512 -4.632) 6.697 10.430 ( -0.618 4.247 -5.132) 6.690 10.581 ( 0.060 -0.832 -0.674) 1.073 10.722 ( 1.140 1.488 -0.241) 1.890 10.957 ( 8.505 1.380 5.884) 10.434 12.897 ( -18.781 -10.800 3.631) 21.967 13.913 ( 3.879 1.526 -2.112) 4.673 14.336 ( -0.844 -0.730 1.056) 1.536 ======================= Grid point 94 (19/88) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 11.812 9.266 5.436) 15.967 1.307 ( 14.185 7.524 6.038) 17.154 1.921 ( 6.942 9.099 -2.696) 11.758 2.372 ( -1.811 -2.941 3.570) 4.967 2.672 ( -1.343 -4.138 -3.755) 5.747 2.761 ( -5.426 -6.394 -1.016) 8.447 2.926 ( -5.004 -2.340 3.216) 6.392 3.040 ( 1.448 1.010 4.490) 4.825 3.134 ( -8.127 -6.984 5.545) 12.065 3.341 ( -11.387 -0.403 1.593) 11.505 3.421 ( -0.957 -3.166 -0.899) 3.428 3.712 ( -1.938 4.625 7.210) 8.783 3.755 ( -2.145 -0.461 0.767) 2.324 4.021 ( -5.111 -1.920 -2.119) 5.857 4.080 ( 9.704 -2.950 -4.825) 11.232 4.319 ( -1.684 -0.831 0.136) 1.883 4.455 ( 1.118 -2.325 -1.616) 3.044 4.532 ( 2.967 2.434 -0.143) 3.840 4.668 ( 2.654 2.803 -1.950) 4.325 4.774 ( 3.234 -0.416 1.908) 3.778 4.805 ( -2.649 4.347 -4.864) 7.041 5.013 ( -8.366 -1.574 0.420) 8.523 5.383 ( 4.022 -0.870 -1.810) 4.496 5.479 ( 4.178 -5.490 2.038) 7.194 5.697 ( -3.742 4.561 -0.903) 5.969 5.807 ( 1.241 1.615 -0.506) 2.099 5.982 ( 2.191 -1.453 1.966) 3.283 6.170 ( -5.505 1.123 -1.871) 5.922 6.417 ( -8.633 -3.405 -1.264) 9.366 6.504 ( -2.658 -3.661 -1.444) 4.749 6.817 ( -6.360 -6.829 -1.210) 9.410 6.993 ( -2.996 -5.075 0.768) 5.943 7.286 ( -0.533 1.673 0.939) 1.992 7.631 ( 0.921 1.524 0.085) 1.783 7.867 ( 5.547 3.616 -2.835) 7.203 8.091 ( 0.357 -1.089 -1.946) 2.259 8.303 ( 2.483 0.974 0.999) 2.848 8.615 ( 6.277 4.517 1.686) 7.915 8.716 ( 3.020 2.211 -5.567) 6.708 8.899 ( 4.713 1.579 0.301) 4.980 9.144 ( 1.307 -0.130 -0.591) 1.440 9.507 ( -1.170 0.757 -2.018) 2.452 9.573 ( -0.274 2.031 -0.190) 2.058 9.855 ( -0.168 1.306 -2.058) 2.443 9.922 ( 1.787 2.782 4.061) 5.237 10.135 ( -2.247 -4.398 -3.648) 6.140 10.236 ( 2.078 5.451 5.131) 7.769 10.482 ( 0.012 6.172 -4.974) 7.927 10.575 ( 1.984 -3.170 -2.298) 4.390 10.756 ( 2.324 -0.859 -0.431) 2.514 11.119 ( 7.809 2.050 9.841) 12.729 12.472 ( -16.961 -9.543 -1.850) 19.549 13.992 ( 3.567 1.119 -1.376) 3.984 14.300 ( -2.034 -1.505 0.815) 2.658 ======================= Grid point 95 (20/88) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 5.782 1.716 2.981) 6.728 1.604 ( 7.776 9.320 4.046) 12.795 1.987 ( -2.139 -1.275 -2.514) 3.539 2.319 ( -2.827 -0.659 4.906) 5.701 2.597 ( -1.320 -2.059 1.369) 2.803 2.639 ( 1.166 -5.876 -3.099) 6.745 2.891 ( -2.363 5.342 -0.437) 5.857 3.001 ( 1.578 -4.721 0.569) 5.010 3.075 ( -1.572 -1.406 5.270) 5.677 3.125 ( -8.588 2.513 3.824) 9.731 3.384 ( 0.198 -4.744 3.017) 5.626 3.692 ( -2.184 -0.436 -0.603) 2.307 3.777 ( -0.412 6.091 5.421) 8.165 3.973 ( 0.434 0.024 -1.547) 1.607 4.186 ( 6.128 -4.807 -4.939) 9.222 4.280 ( -1.511 -0.735 -1.091) 2.003 4.439 ( 2.074 -4.492 -0.857) 5.021 4.607 ( -2.261 3.533 1.039) 4.322 4.695 ( -1.006 -2.638 -3.213) 4.277 4.750 ( -1.413 5.005 1.951) 5.555 4.842 ( 1.010 0.303 -1.009) 1.459 4.953 ( 0.980 1.561 -1.315) 2.264 5.489 ( 5.235 3.478 -1.029) 6.369 5.499 ( 4.128 -3.481 0.908) 5.476 5.646 ( -4.802 -0.833 -1.118) 5.000 5.847 ( 0.483 -2.222 -0.836) 2.422 5.904 ( -5.817 1.943 2.438) 6.600 6.076 ( -2.801 -2.589 -1.037) 3.953 6.344 ( -1.020 5.681 -0.848) 5.834 6.426 ( -1.339 -6.009 -0.694) 6.195 6.724 ( 0.386 -1.309 -1.722) 2.198 6.900 ( -2.149 -3.899 1.073) 4.579 7.290 ( -0.663 1.143 1.233) 1.808 7.657 ( 0.317 1.019 0.374) 1.131 7.931 ( -0.846 1.196 -0.969) 1.756 8.101 ( 2.068 -1.663 -6.508) 7.028 8.361 ( 2.601 0.297 1.157) 2.863 8.718 ( -1.634 1.031 -4.724) 5.103 8.769 ( 4.568 1.405 0.310) 4.789 8.982 ( 2.483 1.223 0.021) 2.768 9.172 ( 1.348 0.381 0.012) 1.401 9.486 ( -1.416 0.642 -1.498) 2.159 9.577 ( -0.259 0.191 -0.054) 0.327 9.809 ( -2.063 -1.429 -2.476) 3.526 9.980 ( -3.349 1.986 6.657) 7.712 10.080 ( -0.355 2.960 -2.986) 4.219 10.330 ( 2.930 4.491 7.292) 9.051 10.507 ( -1.519 1.789 -6.291) 6.715 10.624 ( 5.081 0.044 -2.168) 5.524 10.783 ( 2.748 -2.885 0.204) 3.990 11.234 ( 2.273 -0.872 10.534) 10.811 12.157 ( -8.284 -4.213 -6.146) 11.142 14.059 ( 2.521 0.525 -0.149) 2.579 14.242 ( -1.968 -1.573 0.242) 2.530 ======================= Grid point 96 (21/88) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -7.652 -1.314 2.187) 8.066 1.600 ( -10.633 -6.510 4.017) 13.099 1.987 ( 1.629 2.313 -2.426) 3.726 2.291 ( 1.427 0.622 3.700) 4.014 2.632 ( 3.363 -0.448 3.795) 5.091 2.683 ( 8.311 2.975 -2.274) 9.116 2.947 ( -4.007 0.121 0.957) 4.121 2.957 ( 5.886 1.333 0.059) 6.035 3.067 ( 4.049 1.584 -1.058) 4.475 3.134 ( -0.237 3.338 7.394) 8.116 3.336 ( -0.060 -3.304 4.398) 5.502 3.657 ( -0.584 -0.545 -0.533) 0.961 3.810 ( -2.107 4.007 3.675) 5.831 4.005 ( 1.653 1.538 -0.550) 2.324 4.201 ( -0.375 -2.450 -3.546) 4.326 4.237 ( -3.240 1.074 -2.607) 4.295 4.448 ( 3.015 -3.254 -0.520) 4.466 4.559 ( -1.617 -2.622 -1.069) 3.261 4.600 ( -1.812 -5.760 -1.670) 6.265 4.827 ( -1.157 1.255 -2.792) 3.273 4.868 ( 3.960 4.319 2.696) 6.450 4.986 ( 0.246 0.757 -0.107) 0.803 5.459 ( -4.653 -0.595 -0.852) 4.768 5.534 ( -4.805 1.525 1.127) 5.166 5.671 ( 7.008 0.387 -1.186) 7.118 5.806 ( -0.268 1.835 -1.136) 2.175 5.901 ( 0.656 -1.410 1.571) 2.210 6.049 ( 2.516 -0.627 -1.315) 2.908 6.350 ( 1.934 -3.751 -0.459) 4.245 6.458 ( 3.488 7.055 -0.054) 7.871 6.761 ( 1.855 3.034 -1.495) 3.858 6.850 ( 0.790 -2.985 0.532) 3.133 7.290 ( -0.469 1.001 1.053) 1.527 7.656 ( -0.531 -0.940 0.525) 1.200 7.897 ( -3.169 0.233 -2.155) 3.839 8.098 ( -0.181 -2.666 -5.523) 6.135 8.385 ( 0.460 -1.267 1.112) 1.748 8.645 ( -4.881 -1.607 -3.669) 6.314 8.845 ( 1.817 0.158 -0.602) 1.921 8.989 ( -2.526 0.170 0.302) 2.550 9.182 ( -0.101 -0.903 0.206) 0.932 9.494 ( 0.104 2.924 -1.557) 3.315 9.582 ( 1.591 -1.245 0.093) 2.023 9.766 ( -1.237 -2.350 -2.455) 3.616 9.902 ( -3.995 0.612 1.088) 4.185 10.114 ( -2.535 5.115 2.076) 6.075 10.420 ( 2.140 2.513 5.472) 6.391 10.502 ( -1.553 3.982 -5.073) 6.633 10.721 ( 5.606 -0.271 0.768) 5.665 10.787 ( 1.601 -4.197 0.899) 4.581 11.123 ( -8.902 -7.421 7.317) 13.706 12.163 ( 7.773 5.056 -5.639) 10.853 14.058 ( -1.919 -1.906 -0.093) 2.706 14.238 ( 2.115 0.685 0.082) 2.224 ======================= Grid point 97 (22/88) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -15.067 -2.995 2.917) 15.637 1.265 ( -15.586 -9.282 5.987) 19.103 1.905 ( -9.508 -5.995 -3.320) 11.720 2.387 ( 5.331 2.659 5.224) 7.923 2.760 ( 8.784 4.505 2.246) 10.125 2.868 ( -1.070 -0.163 2.301) 2.543 2.946 ( 8.069 4.091 -3.383) 9.658 3.073 ( 5.522 0.647 4.839) 7.371 3.136 ( 4.976 -2.934 -1.531) 5.976 3.170 ( 0.719 4.668 6.201) 7.795 3.374 ( 5.860 1.535 1.907) 6.351 3.671 ( 1.527 2.222 1.851) 3.270 3.820 ( -0.575 5.336 2.635) 5.979 4.020 ( -2.424 -2.745 -4.001) 5.424 4.128 ( -1.158 -0.571 1.165) 1.740 4.245 ( -0.768 6.600 -2.817) 7.217 4.464 ( -1.785 -2.639 -2.570) 4.093 4.471 ( 0.483 -3.346 -3.130) 4.607 4.579 ( 3.948 -5.783 -0.722) 7.039 4.782 ( -3.303 -0.018 -1.684) 3.707 4.952 ( -1.213 -1.494 0.625) 2.023 5.036 ( 7.241 3.800 1.290) 8.278 5.375 ( -3.248 -1.276 -1.454) 3.780 5.498 ( -4.950 7.728 2.039) 9.401 5.704 ( 0.510 -2.673 -0.953) 2.884 5.816 ( 0.229 -1.412 -1.509) 2.079 5.905 ( -0.387 -1.073 0.912) 1.461 6.120 ( 5.184 -1.607 -2.762) 6.090 6.455 ( 7.485 6.766 0.762) 10.118 6.596 ( 6.597 2.619 -0.241) 7.102 6.854 ( 2.761 -1.293 -0.132) 3.052 6.864 ( 4.737 4.801 -2.285) 7.121 7.296 ( 0.152 0.759 0.624) 0.994 7.618 ( -1.859 -2.262 0.213) 2.936 7.833 ( -4.093 0.083 -2.289) 4.691 8.049 ( -1.702 -2.908 -3.043) 4.540 8.356 ( -1.248 -2.241 1.352) 2.899 8.534 ( -5.418 -1.720 -1.724) 5.940 8.819 ( -3.198 -2.981 -1.531) 4.632 8.917 ( -4.785 -0.586 0.843) 4.893 9.159 ( -0.956 -1.250 -0.196) 1.586 9.516 ( -1.616 3.056 -2.216) 4.106 9.599 ( 1.998 -2.626 0.307) 3.314 9.697 ( -3.942 -1.605 -2.036) 4.718 9.901 ( 2.155 1.219 -1.534) 2.913 10.096 ( -2.840 2.007 2.233) 4.132 10.417 ( -3.137 -0.442 -5.471) 6.321 10.548 ( -1.621 8.241 3.895) 9.258 10.749 ( -0.784 -4.278 0.242) 4.356 10.800 ( 2.592 -3.771 3.819) 5.960 10.867 ( -7.240 -6.806 4.284) 10.821 12.459 ( 15.725 9.337 -2.103) 18.409 13.987 ( -2.974 -2.512 -1.372) 4.127 14.294 ( 2.475 1.009 0.622) 2.744 ======================= Grid point 98 (23/88) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -17.176 -3.409 5.046) 18.224 0.911 ( -13.642 -8.125 11.312) 19.496 1.547 ( -20.021 -12.093 1.971) 23.473 2.493 ( 3.763 2.830 6.601) 8.108 2.781 ( -1.866 -4.712 -1.786) 5.374 2.973 ( 7.413 4.646 1.882) 8.949 2.980 ( -1.801 -2.555 -9.662) 10.155 3.217 ( 0.317 8.282 6.145) 10.318 3.245 ( 9.856 -2.452 8.417) 13.190 3.348 ( 13.385 6.739 3.441) 15.376 3.474 ( 2.619 -0.738 0.396) 2.750 3.766 ( 2.649 7.784 3.959) 9.126 3.903 ( -4.625 3.589 -4.800) 7.571 3.920 ( 7.417 -2.756 1.258) 8.012 4.167 ( 2.517 2.530 1.391) 3.830 4.311 ( -0.182 5.313 -3.068) 6.138 4.391 ( -0.114 -3.803 -3.752) 5.344 4.485 ( 0.775 -0.712 -2.850) 3.038 4.567 ( 0.890 -3.344 0.224) 3.468 4.745 ( -1.156 1.265 -0.877) 1.925 4.893 ( -2.492 -2.865 -0.847) 3.890 5.199 ( 6.234 1.559 1.289) 6.554 5.304 ( -2.563 -2.096 -1.223) 3.529 5.521 ( -2.247 7.430 1.923) 7.997 5.678 ( -0.245 -0.957 -1.367) 1.686 5.807 ( 0.664 -0.299 -1.601) 1.759 5.893 ( 1.277 -1.304 1.400) 2.300 6.139 ( -0.778 -2.707 -3.402) 4.417 6.614 ( -0.521 5.307 -6.480) 8.392 6.801 ( 13.874 2.892 1.043) 14.210 6.857 ( 1.596 -2.038 -1.718) 3.106 7.071 ( 10.208 5.365 -0.181) 11.533 7.301 ( -0.305 -0.065 -0.112) 0.332 7.541 ( -4.659 -2.110 -1.407) 5.304 7.778 ( -1.180 0.936 1.247) 1.956 7.997 ( -0.964 -1.806 0.794) 2.196 8.315 ( -1.059 -1.306 0.662) 1.807 8.425 ( -5.036 -1.361 -0.536) 5.244 8.683 ( -6.912 -5.010 -1.435) 8.657 8.816 ( -5.267 -1.645 1.151) 5.637 9.125 ( -1.373 -1.084 -0.576) 1.841 9.502 ( -2.688 1.934 -3.515) 4.829 9.581 ( -1.879 -1.695 -0.540) 2.587 9.618 ( -2.449 -2.310 -3.602) 4.930 9.939 ( 0.816 -1.110 -1.089) 1.756 10.082 ( -1.036 1.682 2.285) 3.020 10.326 ( -4.372 -2.138 -6.380) 8.025 10.586 ( -3.534 7.803 2.774) 9.004 10.628 ( -6.079 -5.033 -1.637) 8.060 10.690 ( -1.440 -4.214 3.916) 5.930 10.849 ( 1.303 -4.360 0.760) 4.613 12.873 ( 18.907 10.937 3.406) 22.106 13.908 ( -3.156 -2.475 -2.070) 4.514 14.334 ( 1.223 0.437 0.947) 1.608 ======================= Grid point 99 (24/88) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -14.792 -2.791 10.832) 18.545 0.625 ( -10.951 -6.797 16.077) 20.606 1.014 ( -21.545 -13.732 16.186) 30.245 2.599 ( 4.379 5.088 5.432) 8.636 2.748 ( 2.761 -3.669 -7.590) 8.870 2.894 ( -4.771 -1.598 -12.048) 13.056 3.095 ( 2.925 1.577 5.771) 6.659 3.309 ( 1.321 6.477 4.648) 8.081 3.388 ( 6.578 -4.480 6.871) 10.514 3.477 ( 1.510 1.151 3.679) 4.140 3.564 ( 3.638 3.212 7.473) 8.910 3.819 ( -3.410 -0.825 -2.428) 4.266 3.966 ( 9.828 8.964 1.701) 13.411 4.096 ( 8.249 2.573 -0.983) 8.697 4.265 ( 3.682 5.994 2.286) 7.397 4.331 ( -0.298 1.408 -0.458) 1.510 4.376 ( 2.434 -5.283 -2.357) 6.276 4.444 ( -2.470 -1.462 -4.973) 5.741 4.627 ( 5.570 3.497 2.087) 6.900 4.748 ( 0.112 0.349 -0.888) 0.961 4.808 ( -3.477 -2.076 -1.349) 4.268 5.236 ( -0.564 0.267 1.036) 1.209 5.303 ( 3.050 -1.447 -0.673) 3.442 5.473 ( -6.529 -0.027 -0.455) 6.545 5.762 ( 5.647 5.189 -0.435) 7.682 5.834 ( 0.904 1.353 -1.608) 2.288 5.923 ( 2.842 -0.582 1.596) 3.311 6.054 ( -4.667 -3.322 -2.397) 6.209 6.434 ( -19.323 -11.436 -23.741) 32.677 6.917 ( 4.139 1.878 4.434) 6.350 7.090 ( 13.221 4.713 1.722) 14.142 7.265 ( 6.622 -0.592 0.051) 6.649 7.287 ( -1.753 3.038 -1.053) 3.662 7.419 ( -5.745 -1.875 -0.625) 6.076 7.863 ( 8.087 4.601 5.355) 10.735 7.992 ( 1.874 -0.030 4.160) 4.563 8.280 ( -2.241 -0.834 -0.945) 2.572 8.331 ( -4.628 -1.220 -0.136) 4.788 8.509 ( -5.865 -4.189 -1.207) 7.308 8.704 ( -5.005 -1.784 0.302) 5.323 9.097 ( -0.338 -1.044 -0.604) 1.253 9.413 ( -11.888 -2.879 -13.212) 18.004 9.521 ( -1.844 -0.522 -0.934) 2.132 9.547 ( -1.773 -3.360 -1.059) 3.944 9.926 ( 0.327 -1.564 0.517) 1.680 10.027 ( -5.665 -0.841 2.776) 6.364 10.297 ( 3.304 -0.511 -4.197) 5.366 10.500 ( -4.384 -2.705 -3.936) 6.483 10.559 ( -6.784 2.863 -2.194) 7.683 10.653 ( 0.046 -0.247 3.040) 3.050 10.764 ( -3.719 -6.716 -0.747) 7.713 13.333 ( 19.633 11.268 7.808) 23.946 13.826 ( -3.081 -2.036 -1.317) 3.921 14.355 ( 1.134 0.510 1.321) 1.815 ======================= Grid point 101 (25/88) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 8.139 12.931 11.241) 18.969 0.890 ( 11.187 16.038 8.846) 21.462 1.397 ( 13.382 21.929 6.275) 26.444 2.527 ( -3.784 -4.522 7.294) 9.379 2.689 ( -1.849 1.517 -9.186) 9.493 2.924 ( -2.102 1.390 -9.534) 9.861 3.040 ( -1.599 -6.067 4.417) 7.673 3.168 ( -8.386 -5.733 9.682) 14.033 3.328 ( -0.938 -4.977 2.617) 5.701 3.467 ( 3.304 -3.825 4.243) 6.599 3.541 ( 3.691 -8.895 3.983) 10.422 3.746 ( -12.481 -3.047 -0.716) 12.868 3.886 ( 2.403 -0.704 3.279) 4.126 3.973 ( -4.468 -5.400 -2.806) 7.549 4.230 ( 0.208 -3.003 2.376) 3.835 4.336 ( -1.248 2.020 -3.361) 4.115 4.371 ( 2.654 -0.027 -1.980) 3.311 4.483 ( 1.151 2.863 -4.265) 5.264 4.562 ( -0.273 -6.933 -0.184) 6.940 4.730 ( -1.858 2.066 -0.642) 2.852 4.859 ( 0.988 4.581 -1.893) 5.054 5.236 ( -0.585 -2.370 1.030) 2.649 5.270 ( 1.147 0.280 -0.766) 1.407 5.549 ( -5.554 1.785 0.388) 5.847 5.683 ( 1.576 -2.973 1.123) 3.547 5.842 ( 2.797 -2.991 0.026) 4.095 5.859 ( -2.514 -0.153 -0.766) 2.632 6.133 ( 3.349 2.484 -3.229) 5.274 6.606 ( -0.367 6.784 -14.691) 16.186 6.771 ( -8.702 -7.591 4.096) 12.252 6.957 ( 3.008 -13.554 1.324) 13.947 7.109 ( -5.948 -9.247 -0.281) 10.998 7.333 ( 0.996 1.751 -0.105) 2.017 7.520 ( 3.988 4.496 -4.058) 7.251 7.762 ( -3.028 1.213 3.601) 4.859 8.013 ( 3.499 -0.311 2.511) 4.318 8.330 ( 1.232 -0.194 -0.415) 1.315 8.389 ( 1.602 3.731 0.841) 4.147 8.596 ( 1.762 8.489 -2.523) 9.029 8.774 ( 1.516 5.932 1.183) 6.236 9.121 ( 0.756 2.146 -0.907) 2.449 9.540 ( -1.266 1.202 -0.782) 1.913 9.556 ( 2.266 1.909 -0.573) 3.018 9.622 ( 7.721 4.340 -7.145) 11.380 9.926 ( 0.286 1.053 -0.605) 1.248 10.116 ( 2.473 0.790 3.387) 4.268 10.256 ( -2.291 4.574 -6.446) 8.230 10.507 ( -2.529 5.645 -1.639) 6.399 10.614 ( -2.544 1.711 1.638) 3.476 10.753 ( -0.006 2.259 0.257) 2.273 10.792 ( 8.518 0.540 1.569) 8.678 13.004 ( -10.224 -19.629 5.278) 22.752 13.881 ( 1.975 3.051 -2.193) 4.245 14.338 ( -0.513 -0.992 1.062) 1.541 ======================= Grid point 102 (26/88) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 10.139 10.774 6.663) 16.226 1.258 ( 9.841 19.030 7.393) 22.663 1.808 ( 13.363 8.075 -0.370) 15.617 2.402 ( -5.139 -3.298 3.798) 7.191 2.694 ( -1.626 2.885 -6.511) 7.304 2.815 ( -7.422 -4.791 -2.112) 9.083 2.972 ( 1.592 -5.473 2.953) 6.419 2.997 ( -5.650 -2.299 6.091) 8.621 3.175 ( -5.464 -10.747 3.508) 12.556 3.400 ( -4.391 -7.844 3.217) 9.548 3.521 ( -5.860 -5.452 0.210) 8.007 3.617 ( 7.167 -0.512 5.165) 8.849 3.811 ( -3.181 -2.022 0.183) 3.774 3.987 ( 2.207 4.605 -1.429) 5.303 4.138 ( -7.854 -1.331 -0.596) 7.988 4.320 ( -1.194 -2.235 0.005) 2.534 4.423 ( -2.228 -4.913 -4.462) 7.000 4.492 ( 5.806 4.096 -0.969) 7.171 4.592 ( 6.320 0.750 -3.731) 7.377 4.760 ( 1.352 4.173 0.776) 4.454 4.928 ( -1.076 7.639 -1.859) 7.936 5.192 ( -5.600 0.683 0.402) 5.656 5.273 ( -0.548 -3.856 -0.866) 3.990 5.395 ( -1.482 -3.809 1.594) 4.387 5.723 ( 1.215 -1.076 0.572) 1.721 5.826 ( -1.027 -1.030 -1.335) 1.974 5.892 ( 4.284 -0.777 0.593) 4.394 6.204 ( 3.138 0.072 -3.331) 4.577 6.513 ( -10.358 -7.666 3.334) 13.311 6.593 ( -5.742 2.875 -6.093) 8.852 6.820 ( -2.228 -15.409 0.927) 15.597 6.937 ( -3.010 -5.028 -0.532) 5.885 7.356 ( -1.545 3.428 0.073) 3.761 7.599 ( 2.887 -0.768 -1.030) 3.161 7.835 ( 4.267 7.696 -2.877) 9.258 8.062 ( 2.133 -1.441 0.119) 2.577 8.311 ( -2.115 1.907 -0.008) 2.848 8.504 ( 7.481 0.951 2.191) 7.853 8.712 ( 2.043 5.522 -4.430) 7.368 8.875 ( 2.825 5.935 0.666) 6.607 9.153 ( 0.052 3.006 -0.924) 3.146 9.522 ( -1.110 -0.655 -0.659) 1.447 9.607 ( 0.145 3.209 -0.447) 3.243 9.797 ( 8.556 0.999 -0.898) 8.661 9.931 ( -1.127 0.968 0.775) 1.676 10.112 ( -0.010 -2.683 -1.580) 3.114 10.318 ( -1.175 10.310 -0.319) 10.381 10.534 ( -0.355 4.651 -2.259) 5.183 10.580 ( -2.841 1.262 0.616) 3.169 10.745 ( -1.074 0.486 -1.952) 2.280 10.963 ( 10.195 -0.851 8.175) 13.096 12.613 ( -12.997 -15.814 0.249) 20.471 13.947 ( 2.702 1.758 -2.068) 3.830 14.309 ( -1.239 -2.060 0.789) 2.530 ======================= Grid point 103 (27/88) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 7.872 8.857 3.047) 12.235 1.605 ( 7.159 17.751 6.091) 20.086 1.984 ( 2.712 -2.321 -1.937) 4.061 2.319 ( -0.058 -1.916 2.148) 2.879 2.622 ( -5.618 -3.393 -1.462) 6.724 2.636 ( -5.726 -3.698 0.364) 6.826 2.916 ( 0.722 -5.531 -0.570) 5.607 2.978 ( -3.940 -2.348 0.798) 4.656 3.023 ( 3.348 -2.682 5.796) 7.211 3.216 ( -5.808 -10.429 5.787) 13.266 3.369 ( -3.414 -3.453 0.715) 4.909 3.768 ( 1.047 2.925 4.461) 5.436 3.787 ( 2.778 3.654 2.169) 5.077 3.995 ( -5.066 -0.604 -2.413) 5.644 4.066 ( 2.490 1.642 -3.724) 4.772 4.259 ( -0.495 -3.671 0.592) 3.751 4.356 ( 1.331 -6.268 -5.037) 8.151 4.662 ( 5.133 7.081 -0.552) 8.763 4.710 ( 2.892 3.164 -3.932) 5.816 4.816 ( -1.448 3.405 2.903) 4.703 4.948 ( -6.206 8.373 -1.046) 10.475 5.017 ( -9.128 1.188 0.528) 9.220 5.304 ( 9.026 -4.039 -0.844) 9.924 5.429 ( 5.163 -1.516 0.643) 5.419 5.684 ( -2.389 -5.113 -0.853) 5.708 5.805 ( 0.450 -1.906 -1.064) 2.229 5.905 ( 0.177 -5.549 0.868) 5.619 6.221 ( -6.816 2.594 -0.322) 7.300 6.326 ( 1.534 -3.890 0.465) 4.208 6.463 ( -7.280 -3.646 -1.621) 8.302 6.706 ( 0.330 -1.938 -1.842) 2.694 6.855 ( -0.721 -5.687 1.005) 5.820 7.352 ( -2.491 3.390 0.731) 4.270 7.629 ( 2.120 -2.131 0.411) 3.034 7.981 ( 2.348 6.855 -3.768) 8.167 8.059 ( -0.018 -1.645 -4.147) 4.461 8.317 ( 0.915 0.840 0.309) 1.279 8.648 ( 8.049 -0.474 2.252) 8.371 8.752 ( -1.067 0.138 -5.358) 5.465 8.991 ( 2.354 7.381 0.137) 7.748 9.190 ( -0.068 4.077 -0.347) 4.092 9.492 ( -0.513 -1.919 -0.643) 2.088 9.608 ( -2.580 1.092 -0.266) 2.814 9.860 ( -2.652 0.450 -2.301) 3.539 9.964 ( 4.815 -3.201 6.639) 8.804 10.118 ( 1.177 5.439 -1.424) 5.745 10.384 ( -3.287 8.601 6.152) 11.074 10.534 ( -0.869 0.253 -3.309) 3.430 10.602 ( 1.439 3.929 -4.472) 6.124 10.737 ( 0.197 -0.451 -1.281) 1.372 11.120 ( 8.297 -2.171 9.491) 12.792 12.255 ( -10.726 -10.811 -3.937) 15.730 14.013 ( 3.083 1.039 -1.075) 3.426 14.252 ( -1.926 -3.186 0.400) 3.744 ======================= Grid point 104 (28/88) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.035 7.891 1.153) 7.975 1.723 ( -8.559 -1.291 4.876) 9.935 1.989 ( 2.270 5.023 -1.549) 5.726 2.315 ( -2.095 0.347 4.960) 5.396 2.541 ( 2.777 -3.311 -1.424) 4.550 2.606 ( 3.643 2.354 -0.648) 4.385 2.808 ( 1.511 -8.946 1.921) 9.274 2.996 ( 2.469 -2.169 -5.738) 6.612 3.010 ( 0.235 -3.704 5.446) 6.590 3.119 ( 3.514 -3.182 7.107) 8.543 3.306 ( -1.397 -1.649 5.491) 5.901 3.718 ( -5.533 3.368 -0.075) 6.478 3.890 ( -0.675 3.937 4.514) 6.028 3.983 ( 2.513 1.431 -1.373) 3.201 4.122 ( 4.163 -0.791 -5.449) 6.902 4.243 ( 1.386 -2.670 -1.436) 3.334 4.337 ( 3.470 -5.150 -3.794) 7.277 4.650 ( -8.728 0.750 -1.479) 8.884 4.719 ( -9.420 4.318 -0.177) 10.364 4.848 ( 3.326 4.654 0.480) 5.740 4.914 ( -2.909 5.471 1.332) 6.337 4.998 ( 0.028 3.137 -0.656) 3.205 5.456 ( 6.634 -2.329 -0.320) 7.038 5.509 ( 5.234 -3.012 1.058) 6.131 5.572 ( 0.345 -3.188 -2.249) 3.917 5.768 ( -0.423 -4.644 0.378) 4.679 5.861 ( 0.933 -3.791 0.011) 3.904 6.121 ( -4.587 3.914 0.194) 6.033 6.284 ( -2.152 -6.234 -1.292) 6.721 6.447 ( 4.634 3.822 0.036) 6.007 6.737 ( 2.988 -0.411 -2.602) 3.984 6.800 ( -0.266 -2.265 1.681) 2.833 7.345 ( -2.112 3.376 1.073) 4.124 7.625 ( 0.896 -3.702 0.744) 3.881 8.007 ( -4.141 3.437 -3.215) 6.269 8.069 ( 0.725 0.575 -5.835) 5.908 8.342 ( 1.601 -1.015 0.079) 1.897 8.686 ( -3.144 -3.582 -3.615) 5.982 8.769 ( 5.704 -1.169 -0.168) 5.825 9.073 ( -2.207 5.989 0.209) 6.386 9.217 ( -1.829 3.604 0.095) 4.042 9.485 ( 2.025 -0.885 -0.066) 2.211 9.570 ( -1.333 0.392 -0.718) 1.564 9.797 ( -3.838 -0.685 -0.942) 4.011 9.957 ( -0.894 -2.179 1.433) 2.757 10.237 ( -1.159 9.430 4.410) 10.474 10.365 ( 0.335 -1.381 5.570) 5.749 10.576 ( -0.058 7.742 -3.430) 8.468 10.662 ( 3.038 -0.086 -2.446) 3.901 10.738 ( 0.109 -0.189 -1.044) 1.067 11.144 ( -1.594 -7.671 8.543) 11.591 12.092 ( 1.634 -2.038 -6.013) 6.556 14.058 ( 0.452 -0.548 -0.185) 0.734 14.203 ( 0.818 -2.027 -0.174) 2.193 ======================= Grid point 106 (29/88) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -15.370 -4.241 6.132) 17.083 1.522 ( -13.174 5.154 1.019) 14.183 1.974 ( -5.843 -4.685 -1.834) 7.710 2.322 ( 3.659 1.838 3.753) 5.554 2.646 ( 8.161 3.131 2.715) 9.153 2.792 ( 10.508 6.274 -1.737) 12.362 2.841 ( 8.133 -6.247 1.277) 10.335 2.990 ( 0.572 -3.882 -7.111) 8.122 3.010 ( 3.965 -2.732 5.453) 7.275 3.202 ( 5.218 2.418 7.932) 9.798 3.285 ( 0.875 -0.093 5.529) 5.598 3.671 ( -1.755 0.364 -0.438) 1.845 3.869 ( -2.840 0.844 4.463) 5.357 4.037 ( 0.351 1.974 -0.295) 2.027 4.170 ( -1.045 0.526 -7.446) 7.537 4.267 ( 5.496 -0.672 -0.562) 5.565 4.365 ( 4.590 -4.684 -2.898) 7.170 4.523 ( -5.001 1.080 -0.755) 5.171 4.572 ( -9.351 2.082 -1.901) 9.767 4.853 ( -4.240 1.455 -1.124) 4.622 4.982 ( -0.140 4.431 1.395) 4.647 5.025 ( 0.492 5.108 0.835) 5.199 5.385 ( -1.679 -6.158 -1.035) 6.466 5.563 ( 4.880 -6.536 1.383) 8.273 5.637 ( -0.695 3.626 -0.189) 3.697 5.782 ( 4.620 -6.632 1.373) 8.198 5.847 ( 2.723 1.702 -2.489) 4.063 6.110 ( -2.965 3.538 -2.284) 5.150 6.309 ( 10.318 0.736 0.427) 10.353 6.561 ( 3.602 2.751 1.080) 4.659 6.750 ( 2.974 -5.653 -2.072) 6.715 6.840 ( 3.021 3.349 -0.588) 4.548 7.349 ( -1.794 4.061 1.247) 4.611 7.594 ( 0.296 -3.844 0.428) 3.879 7.951 ( -5.699 2.537 -3.742) 7.275 8.056 ( -1.848 -0.505 -4.155) 4.575 8.345 ( -0.028 -1.037 0.472) 1.139 8.580 ( -3.729 -4.417 -1.935) 6.096 8.817 ( 0.944 -2.017 -1.622) 2.755 9.024 ( -6.572 1.270 0.684) 6.728 9.200 ( -2.934 2.204 -0.042) 3.670 9.527 ( 2.966 -1.764 0.418) 3.477 9.590 ( -0.645 5.381 -1.054) 5.521 9.724 ( -2.335 -2.011 -0.680) 3.156 9.925 ( -1.401 1.192 -1.261) 2.230 10.186 ( -6.248 0.536 4.166) 7.528 10.428 ( 2.025 1.497 -1.829) 3.112 10.654 ( -0.465 7.331 2.710) 7.830 10.699 ( 1.899 -2.210 1.699) 3.373 10.738 ( 0.469 0.156 -1.225) 1.321 10.940 ( -8.766 -9.475 5.602) 14.071 12.256 ( 14.002 3.583 -4.071) 15.016 14.013 ( -2.683 -2.114 -1.050) 3.574 14.246 ( 3.677 0.207 0.295) 3.695 ======================= Grid point 107 (30/88) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -15.739 -3.040 9.016) 18.391 1.243 ( -21.464 2.993 3.639) 21.975 1.765 ( -12.760 -4.758 -1.057) 13.659 2.426 ( 5.597 0.819 5.849) 8.136 2.788 ( -3.329 -5.386 -2.253) 6.721 2.859 ( 8.830 3.883 2.838) 10.055 2.942 ( 2.547 -4.587 -9.593) 10.934 3.072 ( 6.444 -2.504 7.753) 10.388 3.131 ( 14.848 2.630 1.760) 15.182 3.312 ( 0.861 10.891 7.107) 13.033 3.385 ( 7.782 1.378 2.721) 8.359 3.699 ( 6.794 -2.816 0.057) 7.354 3.829 ( -0.959 -1.837 3.845) 4.368 4.003 ( -4.134 -0.028 -3.348) 5.319 4.171 ( 0.682 2.985 0.495) 3.101 4.352 ( 1.061 -0.712 -5.159) 5.315 4.415 ( 4.639 0.951 2.169) 5.208 4.443 ( -4.481 0.295 -4.879) 6.631 4.511 ( 0.123 0.533 -2.451) 2.512 4.782 ( -3.541 -0.539 -0.961) 3.708 4.943 ( -4.660 0.919 -0.304) 4.759 5.144 ( 3.765 6.001 1.628) 7.269 5.310 ( -1.221 -4.236 -0.836) 4.488 5.558 ( 5.790 -10.634 0.293) 12.111 5.656 ( -2.901 6.344 1.398) 7.114 5.783 ( 1.916 -0.139 0.570) 2.003 5.884 ( -0.994 -0.717 -1.943) 2.297 6.135 ( 1.003 2.692 -3.769) 4.738 6.575 ( 13.895 1.178 2.152) 14.110 6.648 ( 3.309 5.591 -0.487) 6.516 6.746 ( 4.726 -6.600 -3.953) 9.029 6.950 ( 6.652 1.539 -1.020) 6.903 7.354 ( -2.180 3.145 1.178) 4.003 7.567 ( -0.610 -1.110 -1.127) 1.695 7.852 ( -6.601 -0.201 -1.628) 6.802 8.020 ( -1.712 0.640 -1.537) 2.388 8.331 ( -0.968 0.666 0.520) 1.285 8.475 ( -3.605 -3.206 -0.175) 4.827 8.752 ( -5.185 -2.868 -2.070) 6.276 8.901 ( -6.572 -1.519 1.058) 6.828 9.167 ( -2.649 0.667 -0.778) 2.841 9.547 ( 1.570 -1.951 0.009) 2.505 9.595 ( -4.123 3.942 -1.010) 5.793 9.681 ( -2.874 1.344 -1.677) 3.588 9.937 ( 0.127 1.363 -2.128) 2.530 10.105 ( -1.543 -0.532 2.089) 2.651 10.400 ( -5.455 -1.456 -6.165) 8.360 10.638 ( -4.244 -5.418 -0.988) 6.953 10.661 ( -0.798 -5.281 6.263) 8.231 10.765 ( -3.265 8.551 6.071) 10.983 10.786 ( 0.681 -2.395 -0.780) 2.609 12.602 ( 19.624 4.212 -0.115) 20.072 13.945 ( -3.010 -1.224 -2.058) 3.846 14.306 ( 2.496 0.302 0.725) 2.616 ======================= Grid point 112 (31/88) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 6.360 13.397 5.129) 15.692 1.652 ( 12.445 16.831 3.770) 21.269 1.884 ( 2.123 2.447 -1.515) 3.576 2.335 ( -2.703 -2.825 3.215) 5.061 2.677 ( -6.804 -7.195 0.360) 9.910 2.741 ( -6.785 -2.500 -1.089) 7.312 2.864 ( -1.462 -4.510 -2.643) 5.428 2.933 ( -1.917 -10.126 2.795) 10.678 2.994 ( -0.512 -0.645 1.895) 2.066 3.208 ( -6.160 -10.277 6.710) 13.732 3.355 ( 0.793 -6.116 5.064) 7.980 3.669 ( 4.463 4.464 0.612) 6.341 3.857 ( 0.655 4.563 2.022) 5.034 4.071 ( 1.331 1.734 -0.117) 2.189 4.125 ( -6.824 1.499 -1.957) 7.255 4.263 ( -3.533 -7.244 -2.153) 8.343 4.281 ( -2.297 -3.033 -5.306) 6.529 4.603 ( 7.707 4.001 -1.138) 8.758 4.642 ( 8.166 5.762 -2.487) 10.298 4.856 ( 1.483 4.803 0.585) 5.060 5.063 ( 5.233 3.664 -0.190) 6.391 5.162 ( 3.389 -3.390 1.114) 4.921 5.229 ( -10.103 -0.103 0.087) 10.104 5.371 ( -5.578 2.246 0.212) 6.017 5.685 ( -4.565 -3.601 0.231) 5.819 5.749 ( 3.539 -3.877 -0.052) 5.250 5.867 ( -1.403 -3.572 -1.659) 4.181 6.188 ( 5.739 0.581 -2.494) 6.284 6.345 ( -5.874 -11.052 1.965) 12.669 6.557 ( -6.536 -3.915 0.545) 7.638 6.674 ( -0.158 -0.009 -2.487) 2.492 6.859 ( -2.834 -2.497 -0.124) 3.779 7.407 ( 0.661 1.610 0.970) 1.993 7.559 ( 0.920 -2.432 -0.264) 2.614 7.982 ( 4.263 5.269 -4.954) 8.396 8.049 ( 0.170 1.128 -3.763) 3.932 8.356 ( 0.111 2.236 0.528) 2.300 8.524 ( 3.382 1.680 1.078) 3.927 8.778 ( -1.571 0.565 -3.649) 4.013 9.023 ( 3.326 7.936 0.459) 8.617 9.223 ( 1.471 3.539 -0.265) 3.841 9.492 ( -2.249 -2.000 -0.144) 3.013 9.672 ( -1.583 3.160 0.168) 3.538 9.759 ( 8.792 -4.410 0.936) 9.880 9.927 ( -1.893 -1.082 -0.948) 2.378 10.157 ( 1.365 6.618 2.133) 7.086 10.481 ( 3.434 2.496 -3.669) 5.611 10.600 ( -5.891 1.653 5.653) 8.330 10.656 ( -2.920 6.915 -1.959) 7.758 10.757 ( -1.040 1.637 -0.520) 2.008 10.925 ( 9.705 -2.343 6.688) 12.017 12.295 ( -8.243 -14.421 -2.991) 16.878 13.988 ( 1.364 2.393 -1.510) 3.142 14.250 ( -1.888 -3.668 0.442) 4.149 ======================= Grid point 113 (32/88) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.572 10.887 1.340) 11.884 1.865 ( -5.459 -2.575 0.973) 6.114 1.987 ( 6.859 12.358 2.194) 14.303 2.305 ( 1.363 0.738 2.442) 2.893 2.521 ( -2.017 -4.272 0.708) 4.777 2.615 ( -4.705 -1.096 -0.740) 4.887 2.741 ( -2.749 -7.502 0.591) 8.012 2.900 ( 4.125 -5.446 4.173) 8.005 2.964 ( -2.015 -4.752 -2.317) 5.658 3.004 ( -0.366 -8.620 6.560) 10.839 3.311 ( -0.523 -1.533 6.616) 6.811 3.822 ( 4.072 3.069 2.891) 5.862 3.925 ( -3.008 7.898 -1.445) 8.574 3.975 ( -1.369 -1.492 -0.622) 2.119 4.114 ( -1.402 1.060 -1.298) 2.185 4.203 ( 0.423 -0.783 -3.785) 3.889 4.227 ( 1.849 -5.883 -5.682) 8.385 4.757 ( 1.906 4.767 -1.892) 5.471 4.832 ( 4.898 6.311 0.212) 7.992 4.900 ( -1.977 3.724 1.665) 4.533 5.013 ( -8.878 -0.649 0.859) 8.943 5.110 ( -4.580 5.986 -0.114) 7.538 5.275 ( 9.883 0.750 -0.280) 9.915 5.380 ( 2.934 -3.533 0.921) 4.684 5.528 ( -2.613 -8.407 -2.026) 9.034 5.762 ( -1.592 -2.027 -0.305) 2.596 5.787 ( 1.163 -4.996 0.073) 5.130 6.168 ( -2.994 -6.560 1.270) 7.322 6.311 ( 2.775 2.782 -1.980) 4.400 6.423 ( -3.735 0.066 -0.156) 3.739 6.673 ( 1.380 -2.921 -1.258) 3.467 6.815 ( -1.170 1.186 1.195) 2.051 7.413 ( -1.861 2.720 0.613) 3.352 7.552 ( 2.083 -4.667 0.368) 5.124 8.045 ( -0.861 0.556 -5.508) 5.602 8.086 ( 2.197 2.120 -6.286) 6.989 8.379 ( -2.414 5.972 0.786) 6.490 8.619 ( 6.606 -2.409 0.949) 7.095 8.716 ( -2.754 -3.053 -4.193) 5.873 9.155 ( 1.313 7.355 0.041) 7.471 9.285 ( -0.006 4.705 0.241) 4.711 9.438 ( -0.135 -3.144 -0.123) 3.149 9.636 ( -3.986 2.308 0.524) 4.635 9.844 ( 1.207 -6.354 3.543) 7.374 9.867 ( 1.706 -0.684 -1.415) 2.320 10.282 ( 3.255 8.861 2.225) 9.699 10.482 ( -8.063 0.546 5.835) 9.968 10.574 ( 4.669 -1.205 0.082) 4.823 10.685 ( -2.061 8.925 -2.698) 9.549 10.765 ( -0.987 2.494 -2.333) 3.555 11.027 ( 5.579 -6.704 6.446) 10.845 12.065 ( -3.633 -7.180 -4.884) 9.413 14.042 ( 1.772 1.938 -0.690) 2.715 14.175 ( -1.358 -4.131 -0.013) 4.348 ======================= Grid point 114 (33/88) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -12.068 -3.771 2.840) 12.959 1.745 ( -2.035 10.175 -0.620) 10.395 2.059 ( -7.259 -1.594 1.261) 7.538 2.319 ( -2.068 -0.682 4.492) 4.992 2.520 ( 7.136 -0.076 -0.599) 7.161 2.635 ( 6.914 0.967 2.045) 7.275 2.714 ( 4.773 0.628 -0.407) 4.831 2.891 ( 1.042 -4.849 -1.376) 5.147 2.936 ( 4.810 -2.152 0.976) 5.359 3.039 ( 8.775 -3.940 7.334) 12.096 3.301 ( 0.124 0.428 6.981) 6.995 3.775 ( -7.231 1.905 0.943) 7.537 3.940 ( -2.620 1.379 0.377) 2.985 4.045 ( 1.902 2.796 0.462) 3.413 4.107 ( 5.150 -2.110 -2.686) 6.179 4.197 ( -1.373 -0.567 -5.319) 5.523 4.239 ( 4.559 -4.181 -4.191) 7.472 4.702 ( -9.505 4.056 -1.177) 10.400 4.787 ( -9.997 2.907 -0.088) 10.412 4.924 ( -1.158 0.455 1.097) 1.658 5.032 ( 2.427 6.860 0.305) 7.283 5.104 ( -2.882 6.669 0.524) 7.284 5.285 ( 0.496 -10.605 -0.578) 10.632 5.440 ( 2.390 -6.089 1.647) 6.745 5.531 ( 10.485 -1.608 -1.823) 10.763 5.715 ( -0.156 0.998 0.049) 1.012 5.801 ( 2.946 -2.194 -0.653) 3.731 6.152 ( 5.767 0.177 0.938) 5.845 6.253 ( -6.958 2.528 -1.945) 7.654 6.489 ( 5.385 -0.385 0.195) 5.403 6.668 ( 1.698 -2.751 -1.311) 3.489 6.828 ( 0.641 1.082 0.976) 1.592 7.415 ( -1.356 3.228 0.669) 3.565 7.537 ( 1.643 -3.717 0.348) 4.079 8.028 ( -1.949 1.354 -6.137) 6.580 8.101 ( -1.397 -0.908 -5.544) 5.789 8.386 ( -3.402 5.012 1.085) 6.154 8.590 ( -2.533 -4.820 -1.219) 5.580 8.740 ( 5.085 -1.407 -2.537) 5.854 9.161 ( -6.263 2.077 0.181) 6.601 9.286 ( -3.709 2.188 0.219) 4.312 9.449 ( 3.512 -2.022 0.162) 4.055 9.645 ( 0.823 6.421 0.762) 6.518 9.757 ( -3.179 -2.761 1.110) 4.354 9.907 ( 2.778 -2.432 -0.393) 3.713 10.319 ( -8.439 -1.638 4.002) 9.482 10.432 ( 2.015 7.929 1.843) 8.386 10.604 ( 2.652 -4.111 1.194) 5.036 10.753 ( -2.242 1.716 -1.784) 3.339 10.771 ( -0.418 6.590 0.162) 6.606 10.960 ( -3.032 -7.796 5.076) 9.785 12.067 ( 8.174 -0.605 -4.891) 9.545 14.043 ( -2.528 -0.642 -0.673) 2.693 14.172 ( 4.100 -0.743 -0.038) 4.167 ======================= Grid point 118 (34/88) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -8.351 11.966 10.034) 17.709 0.866 ( -11.430 14.030 9.557) 20.465 1.395 ( -10.776 20.864 4.177) 23.851 2.500 ( 3.011 -3.195 4.752) 6.470 2.790 ( 0.398 2.417 -2.658) 3.615 2.931 ( 0.538 3.384 -9.919) 10.494 3.049 ( 1.087 -5.101 3.683) 6.385 3.145 ( 6.467 -5.197 7.147) 10.950 3.382 ( 2.374 -7.309 6.314) 9.946 3.445 ( 1.084 -3.115 3.293) 4.661 3.540 ( -2.224 -7.675 5.230) 9.550 3.741 ( 5.235 -6.219 1.200) 8.217 3.795 ( 4.257 -2.602 -2.863) 5.752 4.030 ( -0.050 -2.009 -1.485) 2.499 4.175 ( 1.853 -3.680 0.613) 4.166 4.275 ( 1.775 -2.607 -3.315) 4.575 4.464 ( -3.171 0.957 -0.865) 3.423 4.488 ( -1.313 2.103 -3.700) 4.454 4.598 ( -1.676 -0.066 0.573) 1.772 4.703 ( 2.751 -0.597 0.336) 2.835 4.865 ( 0.355 5.286 -2.556) 5.882 5.218 ( 3.160 -0.434 1.136) 3.386 5.323 ( -1.748 -0.937 -0.118) 1.987 5.501 ( -2.802 -2.143 -0.735) 3.603 5.646 ( 3.148 -2.865 0.031) 4.257 5.795 ( 2.028 -0.605 -1.198) 2.431 5.926 ( -1.207 -0.435 0.922) 1.580 6.154 ( -2.895 3.942 -2.116) 5.329 6.549 ( 2.351 0.596 -10.851) 11.119 6.836 ( 6.086 -2.737 2.141) 7.008 7.016 ( -3.860 -12.262 0.608) 12.870 7.117 ( 6.558 -9.134 -0.505) 11.256 7.352 ( -0.523 1.829 -1.174) 2.235 7.484 ( -4.586 4.986 -4.237) 7.990 7.756 ( 2.438 -0.258 3.605) 4.359 8.031 ( -3.565 0.492 3.801) 5.234 8.314 ( 0.829 0.709 -0.869) 1.394 8.374 ( -3.223 3.182 0.878) 4.613 8.601 ( -0.530 8.351 -2.871) 8.846 8.763 ( -2.622 5.947 0.905) 6.562 9.142 ( -1.888 1.998 -0.317) 2.767 9.459 ( -0.464 1.147 -6.254) 6.375 9.537 ( -0.021 2.021 -1.032) 2.269 9.657 ( -5.299 3.033 -3.168) 6.878 9.968 ( -0.668 1.800 -0.284) 1.941 10.053 ( -1.911 1.343 3.097) 3.879 10.292 ( 1.763 -0.090 -3.473) 3.896 10.432 ( 5.342 2.060 -3.330) 6.623 10.601 ( -1.137 3.879 -2.615) 4.814 10.700 ( -2.124 2.677 2.778) 4.404 10.912 ( -5.542 4.004 2.759) 7.373 13.004 ( 10.304 -19.726 5.157) 22.845 13.893 ( -2.370 3.661 -1.953) 4.778 14.343 ( 0.408 -0.782 1.108) 1.416 ======================= Grid point 122 (35/88) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -2.225 -4.450 -0.079) 4.976 1.772 ( 2.225 4.450 -0.079) 4.976 2.134 ( -0.000 -0.000 1.514) 1.514 2.322 ( -0.000 -0.000 2.597) 2.597 2.492 ( -0.000 0.000 3.366) 3.366 2.617 ( -1.883 -3.767 0.912) 4.309 2.617 ( 1.883 3.767 0.912) 4.309 2.868 ( 0.000 -0.000 -4.794) 4.794 2.889 ( -1.218 -2.436 5.608) 6.235 2.889 ( 1.218 2.436 5.608) 6.235 3.297 ( -0.000 -0.000 7.504) 7.504 3.902 ( -2.120 -4.240 1.782) 5.064 3.902 ( 2.120 4.240 1.782) 5.064 4.054 ( 0.000 0.000 -2.745) 2.745 4.119 ( -1.873 -3.746 -4.112) 5.870 4.119 ( 1.873 3.746 -4.112) 5.870 4.216 ( -0.000 -0.000 -4.637) 4.637 4.874 ( -2.444 -4.888 0.516) 5.490 4.874 ( 2.444 4.888 0.516) 5.490 4.962 ( -2.852 -5.703 -0.279) 6.383 4.962 ( 2.852 5.703 -0.279) 6.383 5.219 ( 0.000 -0.000 2.055) 2.055 5.287 ( -1.400 -2.800 0.385) 3.154 5.287 ( 1.400 2.800 0.385) 3.154 5.431 ( -0.000 -0.000 -2.985) 2.985 5.735 ( -0.620 -1.240 0.085) 1.389 5.735 ( 0.620 1.240 0.085) 1.389 6.096 ( -0.000 -0.000 0.590) 0.590 6.389 ( -2.060 -4.119 -1.158) 4.749 6.389 ( 2.060 4.119 -1.158) 4.749 6.633 ( -0.000 -0.000 -0.412) 0.412 6.833 ( -0.000 -0.000 1.612) 1.612 7.470 ( -1.361 -2.723 0.284) 3.057 7.470 ( 1.361 2.723 0.284) 3.057 8.076 ( -0.943 -1.885 -6.319) 6.661 8.076 ( 0.943 1.885 -6.319) 6.661 8.527 ( -3.013 -6.026 0.261) 6.742 8.527 ( 3.013 6.026 0.261) 6.742 8.673 ( -0.000 -0.000 -3.558) 3.558 9.241 ( -0.000 -0.000 -0.132) 0.132 9.368 ( -1.664 -3.327 0.106) 3.722 9.368 ( 1.664 3.327 0.106) 3.722 9.717 ( -2.244 -4.489 2.482) 5.599 9.717 ( 2.244 4.489 2.482) 5.599 9.859 ( -0.000 -0.000 -1.293) 1.293 10.434 ( -2.137 -4.274 0.716) 4.831 10.434 ( 2.137 4.274 0.716) 4.831 10.547 ( -0.000 -0.000 8.110) 8.110 10.786 ( -0.000 -0.000 -3.613) 3.613 10.876 ( -3.130 -6.259 1.949) 7.264 10.876 ( 3.130 6.259 1.949) 7.264 11.987 ( -0.000 -0.000 -4.906) 4.906 14.096 ( -1.500 -3.001 -0.344) 3.372 14.096 ( 1.500 3.001 -0.344) 3.372 ======================= Grid point 128 (36/88) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -12.356 9.877 7.397) 17.462 1.253 ( -12.406 16.815 4.711) 21.420 1.722 ( -10.056 5.942 -3.257) 12.126 2.423 ( 3.133 -1.908 5.257) 6.411 2.788 ( 4.345 3.728 -0.600) 5.756 2.896 ( 8.083 -0.132 -6.514) 10.382 2.962 ( -2.468 -5.388 1.671) 6.158 3.013 ( 6.323 -2.945 7.655) 10.356 3.217 ( 5.837 -8.539 5.339) 11.641 3.322 ( 4.012 -9.410 2.719) 10.585 3.460 ( 1.236 -6.141 3.230) 7.048 3.622 ( 1.811 -3.812 0.002) 4.220 3.740 ( -1.258 -2.218 1.749) 3.092 4.060 ( 3.452 -2.065 -1.586) 4.324 4.134 ( -3.363 6.554 -2.732) 7.857 4.262 ( -2.870 -3.415 -3.044) 5.400 4.493 ( 1.087 1.702 1.124) 2.311 4.539 ( -1.603 1.813 -2.419) 3.422 4.633 ( 0.065 1.877 1.777) 2.586 4.711 ( -4.183 1.661 -3.010) 5.415 4.885 ( 3.965 6.586 -2.209) 7.998 5.096 ( 8.173 -1.477 0.666) 8.332 5.350 ( -2.333 -1.353 0.024) 2.697 5.508 ( -6.646 -10.878 -0.652) 12.765 5.620 ( 2.455 5.394 0.319) 5.935 5.769 ( -0.054 -0.930 -0.256) 0.966 5.965 ( -2.708 -0.315 0.477) 2.768 6.184 ( 2.412 -0.152 -2.329) 3.356 6.458 ( 4.125 -5.230 -2.286) 7.042 6.635 ( 10.636 -3.344 1.308) 11.225 6.915 ( 5.249 -7.253 0.080) 8.954 6.961 ( -1.302 -8.764 -1.354) 8.963 7.339 ( 3.293 3.811 0.799) 5.099 7.582 ( -2.856 -1.241 -1.526) 3.468 7.830 ( -4.712 7.063 -2.741) 8.922 8.093 ( -1.797 0.967 0.852) 2.211 8.298 ( 0.507 1.699 0.035) 1.774 8.493 ( -7.073 1.031 1.298) 7.265 8.699 ( -1.875 5.296 -4.467) 7.178 8.888 ( -3.818 6.167 0.614) 7.279 9.182 ( 0.476 3.292 -0.403) 3.350 9.468 ( -1.020 -1.493 -3.291) 3.755 9.560 ( -0.075 1.880 -1.125) 2.193 9.768 ( -5.421 -0.257 -0.070) 5.427 9.956 ( 3.366 1.177 -0.371) 3.585 10.124 ( -5.558 -2.553 2.327) 6.544 10.238 ( 4.654 2.053 -2.739) 5.777 10.397 ( -0.615 -0.864 -3.074) 3.252 10.653 ( 1.087 6.440 -3.332) 7.332 10.772 ( -1.627 4.619 2.496) 5.496 11.048 ( -6.701 2.214 8.206) 10.823 12.609 ( 13.128 -16.138 0.026) 20.803 13.970 ( -2.562 2.705 -1.509) 4.019 14.317 ( 1.302 -1.626 0.998) 2.310 ======================= Grid point 129 (37/88) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -3.776 15.043 4.483) 16.145 1.187 ( -11.192 16.760 5.313) 20.841 1.762 ( -0.002 14.406 -2.825) 14.681 2.433 ( 1.305 -4.177 6.088) 7.497 2.838 ( -0.582 -3.533 1.907) 4.057 2.870 ( 1.478 -4.993 2.261) 5.677 3.012 ( 1.177 0.328 -9.174) 9.255 3.080 ( 3.642 -1.473 8.689) 9.536 3.185 ( 2.803 -9.933 3.245) 10.819 3.248 ( -1.542 -8.834 5.028) 10.281 3.412 ( 5.275 -9.665 1.279) 11.085 3.684 ( -0.902 -0.228 1.058) 1.409 3.716 ( 7.122 -1.970 -0.206) 7.392 4.059 ( -6.493 4.077 -0.483) 7.683 4.120 ( 3.607 -3.872 0.275) 5.299 4.209 ( 0.024 -1.949 -3.887) 4.348 4.484 ( -3.255 1.446 -1.395) 3.826 4.511 ( -2.247 0.673 -3.685) 4.368 4.656 ( -3.228 4.420 -0.096) 5.474 4.717 ( 2.110 2.340 0.079) 3.151 4.965 ( -2.132 3.740 -1.291) 4.495 5.189 ( -3.192 -5.303 0.574) 6.216 5.298 ( 3.304 -1.745 -1.450) 4.008 5.362 ( 4.788 -3.022 1.955) 5.989 5.678 ( 1.678 1.100 -0.780) 2.152 5.816 ( 1.692 2.996 -1.614) 3.800 5.910 ( -1.497 -1.636 0.642) 2.309 6.210 ( -2.154 1.264 -2.362) 3.437 6.456 ( 4.415 -7.594 -0.043) 8.784 6.731 ( 2.045 -11.521 -1.164) 11.759 6.834 ( 2.620 -1.854 2.729) 4.213 6.915 ( 2.150 -9.014 -2.020) 9.485 7.359 ( -4.132 -0.978 -1.092) 4.385 7.565 ( 1.593 3.203 -1.384) 3.836 7.819 ( -3.827 5.001 -2.381) 6.732 8.059 ( -2.896 2.213 0.063) 3.645 8.342 ( 0.840 1.879 0.129) 2.062 8.452 ( 0.135 4.432 0.997) 4.544 8.759 ( 1.165 6.133 -3.006) 6.929 8.883 ( -3.379 5.811 0.742) 6.763 9.181 ( -2.973 1.860 -0.112) 3.509 9.471 ( 1.710 -0.049 -2.988) 3.443 9.607 ( 1.192 4.385 -1.665) 4.840 9.684 ( -3.795 0.018 -1.079) 3.945 9.981 ( -4.870 -2.079 -1.004) 5.390 10.034 ( 3.166 -0.940 1.445) 3.605 10.339 ( 3.310 3.611 -4.818) 6.870 10.441 ( 5.576 -0.745 1.162) 5.744 10.733 ( -0.536 7.512 -4.022) 8.538 10.792 ( -2.749 7.019 6.269) 9.805 10.937 ( -6.096 -1.206 5.741) 8.460 12.598 ( 6.390 -19.401 -0.058) 20.426 13.966 ( -1.382 3.453 -1.510) 4.015 14.315 ( 0.602 -2.073 0.881) 2.332 ======================= Grid point 138 (38/88) ======================= q-point: (-0.33 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -12.527 8.362 4.057) 15.599 1.562 ( -2.214 14.087 3.015) 14.575 1.908 ( -9.398 -1.046 -4.279) 10.379 2.341 ( 3.174 -2.555 4.593) 6.140 2.685 ( 7.090 -1.207 2.763) 7.704 2.762 ( 6.062 -0.737 -3.164) 6.878 2.844 ( 5.824 -3.500 2.310) 7.177 2.976 ( -4.132 -4.847 0.240) 6.374 3.068 ( 3.194 -6.395 6.442) 9.623 3.128 ( 5.590 -7.503 0.483) 9.369 3.404 ( -1.446 -6.704 5.392) 8.724 3.655 ( -3.349 4.316 -0.955) 5.546 3.740 ( 0.231 0.096 2.077) 2.092 3.978 ( 1.776 -2.122 -2.438) 3.688 4.258 ( 0.042 -3.147 -0.750) 3.235 4.272 ( -2.111 5.827 -3.364) 7.052 4.490 ( 0.205 -0.110 0.852) 0.884 4.583 ( -1.027 4.501 0.789) 4.683 4.670 ( -1.282 3.369 0.946) 3.726 4.808 ( -1.208 4.025 -3.735) 5.623 4.866 ( 4.379 4.968 -0.367) 6.632 4.971 ( 4.339 1.443 -0.977) 4.676 5.394 ( -5.367 -1.806 -0.722) 5.709 5.511 ( -3.815 -8.683 0.002) 9.484 5.640 ( 1.164 4.601 0.187) 4.750 5.772 ( -2.956 -5.423 0.480) 6.195 5.917 ( 5.045 -6.897 0.028) 8.545 6.155 ( 0.165 4.172 -1.546) 4.453 6.280 ( 5.725 -6.647 -0.209) 8.775 6.512 ( 3.158 -0.491 0.021) 3.196 6.785 ( 4.360 -1.419 -0.631) 4.628 6.892 ( -0.381 -7.092 0.008) 7.102 7.327 ( 2.515 3.681 0.874) 4.543 7.604 ( -2.410 -2.445 0.312) 3.447 7.957 ( -0.724 5.845 -3.272) 6.737 8.121 ( -0.400 1.843 -4.193) 4.598 8.335 ( -2.164 1.358 1.555) 2.991 8.625 ( -7.096 -1.429 -0.318) 7.246 8.751 ( -0.489 1.039 -4.101) 4.258 9.008 ( -1.652 6.972 0.188) 7.167 9.204 ( 0.940 4.098 0.182) 4.208 9.459 ( -0.267 -2.847 -1.848) 3.404 9.573 ( 0.232 1.237 -0.770) 1.475 9.828 ( -2.219 -1.868 0.753) 2.997 9.908 ( 1.155 -1.282 1.761) 2.466 10.116 ( 3.397 -1.473 -5.054) 6.266 10.246 ( -3.522 0.990 4.660) 5.924 10.424 ( -3.560 -2.505 -4.318) 6.132 10.702 ( 1.602 8.430 -1.551) 8.720 10.841 ( 0.085 5.635 1.946) 5.962 11.187 ( -6.250 0.861 10.293) 12.073 12.244 ( 10.847 -11.525 -4.527) 16.461 14.039 ( -2.527 2.024 -0.427) 3.266 14.263 ( 2.102 -2.565 0.780) 3.406 ======================= Grid point 139 (39/88) ======================= q-point: (-0.22 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -8.202 13.114 3.027) 15.761 1.594 ( -14.932 14.798 1.855) 21.105 1.831 ( 3.209 5.637 -3.270) 7.264 2.360 ( 1.908 -3.615 4.498) 6.077 2.736 ( 1.698 -9.041 3.410) 9.811 2.804 ( 3.528 -3.460 2.292) 5.447 2.928 ( 6.692 -7.479 3.992) 10.801 2.963 ( 3.442 -0.198 -4.622) 5.766 3.077 ( 7.850 -5.166 1.048) 9.456 3.120 ( 3.598 -8.521 0.668) 9.274 3.261 ( -3.238 -7.733 8.909) 12.234 3.689 ( -0.704 6.207 -0.917) 6.313 3.730 ( -2.248 1.865 0.363) 2.943 3.988 ( 3.925 -5.807 -2.351) 7.393 4.205 ( -3.844 2.910 1.945) 5.199 4.257 ( -4.313 1.673 -3.174) 5.610 4.482 ( 0.943 -2.571 -0.164) 2.744 4.605 ( -3.369 5.246 -2.007) 6.550 4.727 ( 0.575 6.908 1.068) 7.014 4.780 ( -4.457 4.160 -1.539) 6.288 5.023 ( 2.086 5.517 -1.987) 6.224 5.127 ( 8.764 4.563 0.851) 9.917 5.253 ( -7.356 -12.361 0.816) 14.408 5.314 ( -1.970 -2.072 -1.279) 3.132 5.659 ( -0.021 -1.868 -0.547) 1.947 5.775 ( 4.842 0.709 0.669) 4.939 5.891 ( 0.526 -6.953 -1.159) 7.069 6.206 ( 2.468 2.708 -2.314) 4.333 6.335 ( 4.345 -5.917 2.182) 7.658 6.538 ( 3.477 -6.196 0.143) 7.106 6.790 ( 0.359 -3.485 2.131) 4.101 6.826 ( 0.742 -5.090 -2.524) 5.730 7.395 ( -0.111 1.528 0.223) 1.548 7.554 ( 0.613 -1.021 -0.521) 1.300 7.973 ( -5.138 6.457 -5.545) 9.942 8.125 ( -1.766 1.843 -1.874) 3.167 8.343 ( 0.553 2.557 -0.011) 2.616 8.512 ( -3.285 1.021 2.069) 4.015 8.777 ( 1.612 1.796 -4.333) 4.960 9.027 ( -4.611 7.164 0.292) 8.525 9.241 ( -1.273 2.462 0.199) 2.779 9.439 ( 0.893 -1.641 -1.615) 2.470 9.626 ( 2.125 4.434 -1.753) 5.220 9.733 ( -3.654 -3.101 1.044) 4.905 9.953 ( 3.437 -2.918 0.427) 4.529 10.062 ( -5.345 -0.710 -1.372) 5.564 10.289 ( 4.547 1.768 -3.706) 6.127 10.382 ( 0.878 -0.473 -0.408) 1.077 10.807 ( 0.332 7.299 -1.514) 7.461 10.908 ( -0.423 8.629 4.557) 9.768 11.051 ( -8.278 -1.613 8.488) 11.965 12.282 ( 8.568 -15.028 -3.289) 17.609 14.023 ( -1.682 2.635 -0.562) 3.176 14.267 ( 1.726 -3.179 0.889) 3.725 ======================= Grid point 140 (40/88) ======================= q-point: (-0.11 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -3.110 13.901 1.366) 14.310 1.517 ( -7.686 14.172 3.091) 16.416 1.961 ( 2.405 4.122 -2.653) 5.460 2.332 ( -0.135 -4.211 3.933) 5.764 2.673 ( 1.267 -5.551 3.424) 6.643 2.803 ( 0.205 -8.896 1.444) 9.014 2.867 ( 2.044 -5.147 -0.306) 5.546 3.053 ( 5.388 -4.474 4.326) 8.231 3.076 ( 0.695 -5.405 1.877) 5.764 3.126 ( 1.305 -6.075 2.527) 6.708 3.278 ( 6.586 2.338 0.323) 6.997 3.682 ( -2.592 0.106 1.942) 3.241 3.750 ( 0.705 3.490 -0.634) 3.617 4.005 ( 3.566 -4.330 0.129) 5.611 4.190 ( -2.497 3.398 -3.856) 5.714 4.201 ( -2.436 3.288 2.358) 4.723 4.480 ( 0.708 -0.962 -0.803) 1.440 4.577 ( -4.565 4.676 -4.057) 7.691 4.716 ( -7.396 1.496 -0.841) 7.593 4.802 ( 0.262 4.964 -0.493) 4.995 4.976 ( -5.495 -8.551 0.852) 10.200 5.013 ( -3.786 -2.624 -0.176) 4.610 5.341 ( 7.679 4.740 0.758) 9.055 5.387 ( 5.799 3.791 -0.835) 6.979 5.690 ( 3.596 0.283 -0.557) 3.649 5.814 ( -0.517 -5.538 -2.324) 6.028 5.867 ( 4.584 -1.403 0.622) 4.835 6.192 ( -6.060 -3.306 0.036) 6.903 6.354 ( 3.039 0.268 0.730) 3.137 6.489 ( 2.155 -11.056 -0.596) 11.280 6.774 ( 0.275 -3.486 -1.346) 3.747 6.833 ( 3.802 -0.335 1.463) 4.088 7.334 ( -4.560 -1.024 -0.281) 4.682 7.613 ( 3.524 1.320 -0.101) 3.765 7.916 ( -6.286 4.031 -4.261) 8.597 8.109 ( -1.743 2.287 -2.933) 4.107 8.377 ( 0.875 1.167 0.853) 1.690 8.552 ( 2.518 5.206 -0.863) 5.847 8.829 ( 2.350 0.619 -2.165) 3.254 8.997 ( -5.231 5.022 -0.012) 7.251 9.216 ( -3.278 1.401 0.376) 3.584 9.456 ( 2.632 -1.297 -1.915) 3.504 9.639 ( -2.690 -2.252 0.344) 3.525 9.728 ( 1.843 5.359 -2.083) 6.038 9.903 ( -2.678 -3.559 0.194) 4.458 10.044 ( 2.160 0.786 -0.324) 2.321 10.379 ( 4.777 -1.051 0.896) 4.973 10.432 ( 3.659 0.808 -3.395) 5.056 10.833 ( -3.303 2.189 1.057) 4.102 10.879 ( -7.425 -3.253 5.203) 9.633 11.013 ( -0.230 12.399 5.389) 13.521 12.244 ( 4.471 -14.367 -4.011) 15.572 14.036 ( -0.584 3.361 -0.386) 3.433 14.260 ( 0.987 -3.080 0.574) 3.285 ======================= Grid point 146 (41/88) ======================= q-point: (-0.44 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 7.191 4.142 1.534) 8.440 1.639 ( -3.376 1.051 1.793) 3.965 1.982 ( 1.337 0.851 -2.089) 2.622 2.299 ( 0.703 1.122 4.279) 4.479 2.616 ( -0.811 1.634 4.381) 4.746 2.682 ( 0.354 -1.128 0.388) 1.244 2.815 ( -4.974 -3.769 -2.533) 6.735 2.923 ( -1.249 -4.749 -0.100) 4.912 3.032 ( -4.798 -2.896 4.515) 7.197 3.062 ( -0.168 -0.700 3.793) 3.861 3.352 ( 0.153 -6.186 3.529) 7.123 3.693 ( 1.643 1.217 0.375) 2.078 3.776 ( -0.174 3.476 -0.909) 3.597 3.958 ( -2.070 -2.665 -0.591) 3.426 4.215 ( 1.887 -0.543 -0.812) 2.125 4.295 ( 3.402 1.247 -1.144) 3.799 4.475 ( -0.139 -1.753 0.981) 2.014 4.637 ( 2.412 4.870 -1.774) 5.717 4.751 ( 4.215 5.636 -1.202) 7.140 4.789 ( -1.240 7.979 0.000) 8.074 4.872 ( 1.903 1.125 0.311) 2.233 4.976 ( -1.220 2.466 -1.349) 3.065 5.436 ( 0.839 -5.946 -0.167) 6.008 5.491 ( -2.287 -7.766 -0.451) 8.108 5.629 ( -1.427 0.210 -0.015) 1.442 5.745 ( -3.244 -4.245 -0.081) 5.343 5.840 ( -1.782 -2.950 -1.056) 3.604 6.144 ( 2.979 4.421 1.314) 5.490 6.298 ( -7.902 0.885 -1.130) 8.031 6.431 ( 4.675 -1.868 -0.390) 5.050 6.740 ( 0.396 0.582 -1.318) 1.494 6.843 ( -0.948 -4.547 1.455) 4.867 7.323 ( 2.075 3.715 0.441) 4.278 7.620 ( -2.319 -3.057 0.303) 3.849 7.973 ( 4.397 4.864 -3.601) 7.480 8.137 ( 0.764 0.899 -4.725) 4.870 8.378 ( -1.388 -0.002 1.307) 1.906 8.647 ( 1.021 -4.800 -3.625) 6.101 8.794 ( -4.084 -0.447 -0.631) 4.156 9.061 ( 3.615 5.420 -0.220) 6.519 9.227 ( 1.501 3.653 0.560) 3.988 9.437 ( -1.420 -2.735 -1.601) 3.473 9.591 ( -0.869 1.881 -0.198) 2.082 9.823 ( 2.874 0.718 -2.743) 4.037 9.871 ( -1.419 -4.999 4.261) 6.720 10.061 ( 1.527 0.081 -3.237) 3.580 10.323 ( -4.857 -1.149 4.645) 6.818 10.446 ( -2.090 -3.446 -5.743) 7.016 10.777 ( 0.279 9.263 2.246) 9.535 10.872 ( 2.349 4.444 1.796) 5.338 11.214 ( 3.417 -3.990 9.043) 10.458 12.074 ( -2.088 -2.810 -6.605) 7.475 14.082 ( 0.257 0.295 0.457) 0.602 14.218 ( -0.560 -1.268 0.233) 1.406 ======================= Grid point 148 (42/88) ======================= q-point: (-0.33 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -8.359 9.660 0.733) 12.795 1.760 ( 9.024 2.027 -0.851) 9.288 1.946 ( -9.195 6.150 -1.508) 11.165 2.326 ( 0.280 1.957 4.606) 5.013 2.628 ( 1.224 -5.051 3.693) 6.376 2.679 ( 5.444 -2.647 4.990) 7.845 2.768 ( 2.094 -6.268 1.363) 6.748 2.891 ( 3.405 -3.318 -4.771) 6.735 2.927 ( -0.491 -4.618 2.193) 5.136 3.011 ( -1.252 -6.484 1.728) 6.826 3.267 ( -2.030 -3.567 8.552) 9.486 3.723 ( 0.408 1.282 0.987) 1.668 3.834 ( -0.797 6.704 -5.188) 8.515 3.891 ( -0.263 -5.305 -2.415) 5.835 4.254 ( 0.543 3.074 1.184) 3.339 4.329 ( -1.114 0.686 -0.661) 1.465 4.430 ( 0.134 -4.500 1.135) 4.642 4.727 ( -1.243 8.570 -1.127) 8.733 4.814 ( -1.176 7.535 1.527) 7.778 4.892 ( -2.545 2.907 0.310) 3.876 4.974 ( 8.061 5.617 -1.924) 10.012 5.053 ( 5.550 6.518 -1.078) 8.628 5.293 ( -9.086 -8.476 0.040) 12.426 5.351 ( -3.913 -4.845 -1.269) 6.356 5.585 ( 2.293 -11.131 0.331) 11.369 5.705 ( 1.476 1.578 0.018) 2.161 5.797 ( 0.657 -4.976 -0.963) 5.111 6.162 ( 1.806 -4.307 0.657) 4.717 6.280 ( -0.611 6.800 -0.700) 6.863 6.470 ( 2.075 -3.348 -0.449) 3.964 6.747 ( 0.192 -2.358 2.391) 3.364 6.781 ( 0.026 -2.955 -1.838) 3.480 7.402 ( 1.967 3.512 0.252) 4.033 7.541 ( -1.942 -3.493 0.224) 4.003 8.084 ( 0.310 5.720 -6.071) 8.347 8.154 ( 0.048 1.258 -4.123) 4.311 8.374 ( -0.196 3.018 1.349) 3.312 8.568 ( -3.728 -4.084 -0.939) 5.609 8.750 ( 0.491 -0.878 -2.695) 2.877 9.161 ( -0.863 7.299 0.026) 7.350 9.284 ( -0.128 3.338 0.283) 3.352 9.400 ( 0.787 -3.010 -0.911) 3.242 9.619 ( 1.964 3.024 -0.409) 3.629 9.766 ( -4.103 -4.315 2.908) 6.626 9.866 ( 2.769 -2.452 -1.395) 3.953 10.121 ( 0.841 2.379 -3.958) 4.694 10.252 ( -0.914 -0.959 -1.238) 1.814 10.381 ( -1.333 -1.514 -1.436) 2.476 10.878 ( 0.279 7.688 2.010) 7.951 10.967 ( 2.356 6.272 3.677) 7.643 11.160 ( -4.848 -3.170 8.713) 10.463 12.037 ( 3.918 -7.940 -5.989) 10.690 14.079 ( -1.583 2.083 0.305) 2.634 14.199 ( 1.393 -3.500 0.707) 3.832 ======================= Grid point 149 (43/88) ======================= q-point: (-0.22 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -5.217 12.330 0.308) 13.392 1.733 ( -6.896 -2.752 -1.597) 7.595 1.972 ( 0.226 6.608 -0.222) 6.615 2.332 ( -1.649 1.104 4.630) 5.037 2.607 ( 2.038 -2.394 3.857) 4.976 2.692 ( 2.027 -6.696 4.619) 8.384 2.770 ( 2.725 -5.560 -0.596) 6.221 2.899 ( 3.761 -5.606 -2.760) 7.293 2.932 ( 5.612 -2.150 4.736) 7.652 3.026 ( 6.428 -3.017 -0.669) 7.132 3.242 ( 1.154 2.128 7.718) 8.088 3.721 ( -1.795 0.447 1.076) 2.140 3.848 ( -4.544 3.444 -6.110) 8.358 3.882 ( 4.971 -2.348 -0.839) 5.561 4.262 ( -3.908 0.492 1.060) 4.079 4.299 ( -1.963 3.608 0.361) 4.123 4.424 ( 3.275 -2.138 0.622) 3.960 4.725 ( -6.591 5.176 -2.817) 8.841 4.856 ( -4.635 3.499 -0.148) 5.809 4.863 ( -1.310 3.913 1.496) 4.390 5.019 ( -9.355 -8.997 0.642) 12.995 5.064 ( -3.842 -1.183 -1.423) 4.265 5.272 ( 7.635 8.200 0.958) 11.245 5.310 ( 5.521 1.434 -2.331) 6.162 5.571 ( 6.747 -6.309 -0.389) 9.246 5.753 ( 0.142 -4.651 -0.944) 4.747 5.767 ( 4.198 -0.256 -0.051) 4.206 6.175 ( 3.308 -4.264 1.130) 5.513 6.341 ( 0.552 3.554 -0.789) 3.682 6.414 ( -2.686 -3.926 -0.388) 4.773 6.752 ( 2.113 -1.690 1.780) 3.238 6.764 ( 0.949 -0.135 -1.154) 1.500 7.405 ( -3.871 -0.149 0.150) 3.876 7.544 ( 4.364 -0.201 0.009) 4.369 8.075 ( -5.990 3.127 -6.594) 9.441 8.154 ( -1.399 0.748 -3.423) 3.772 8.386 ( -1.680 0.983 0.620) 2.043 8.544 ( 3.285 2.242 -0.327) 3.991 8.771 ( 2.744 -1.812 -2.506) 4.134 9.158 ( -6.241 4.585 -0.150) 7.745 9.285 ( -2.615 1.726 0.466) 3.167 9.397 ( 2.109 -2.144 -1.141) 3.217 9.656 ( -2.862 -3.673 0.773) 4.720 9.726 ( 4.404 4.800 0.217) 6.518 9.870 ( 1.167 -3.606 -0.009) 3.790 10.092 ( -4.509 2.270 -3.294) 6.027 10.286 ( 4.011 -1.777 -2.230) 4.921 10.383 ( 2.235 0.265 -1.111) 2.510 10.912 ( -2.952 2.295 2.649) 4.582 10.987 ( -7.550 -2.502 5.216) 9.512 11.103 ( 2.058 7.559 6.479) 10.166 12.040 ( 5.118 -7.385 -5.658) 10.618 14.078 ( -1.088 2.465 0.343) 2.716 14.199 ( 2.253 -2.917 0.631) 3.739 ======================= Grid point 158 (44/88) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -2.264 -4.528 -1.663) 5.329 1.714 ( 2.264 4.528 -1.663) 5.329 2.029 ( 0.000 0.000 -1.097) 1.097 2.372 ( 0.000 0.000 6.598) 6.598 2.569 ( 0.000 -0.000 3.495) 3.495 2.664 ( -1.268 -2.536 4.510) 5.328 2.664 ( 1.268 2.536 4.510) 5.328 2.861 ( -0.000 -0.000 -8.366) 8.366 2.895 ( -1.225 -2.449 2.376) 3.625 2.895 ( 1.225 2.449 2.376) 3.625 3.246 ( 0.000 0.000 9.906) 9.906 3.775 ( -1.790 -3.580 -0.538) 4.039 3.775 ( 1.790 3.580 -0.538) 4.039 3.925 ( 0.000 0.000 -8.869) 8.869 4.331 ( -0.000 -0.000 -0.281) 0.281 4.339 ( -1.782 -3.563 1.955) 4.438 4.339 ( 1.782 3.563 1.955) 4.438 4.863 ( -1.366 -2.731 0.360) 3.075 4.863 ( 1.366 2.731 0.360) 3.075 4.981 ( -2.626 -5.252 -0.116) 5.874 4.981 ( 2.626 5.252 -0.116) 5.874 5.188 ( 0.000 0.000 0.499) 0.499 5.233 ( -1.545 -3.091 -0.940) 3.581 5.233 ( 1.545 3.091 -0.940) 3.581 5.427 ( 0.000 0.000 -2.220) 2.220 5.728 ( -0.503 -1.007 -0.055) 1.127 5.728 ( 0.503 1.007 -0.055) 1.127 6.111 ( 0.000 0.000 0.842) 0.842 6.395 ( -1.561 -3.121 -1.007) 3.632 6.395 ( 1.561 3.121 -1.007) 3.632 6.714 ( 0.000 0.000 3.677) 3.677 6.760 ( 0.000 0.000 -2.268) 2.268 7.470 ( -1.486 -2.972 0.190) 3.329 7.470 ( 1.486 2.973 0.190) 3.329 8.158 ( -0.658 -1.315 -5.600) 5.790 8.158 ( 0.658 1.315 -5.600) 5.790 8.467 ( -2.392 -4.784 -0.213) 5.353 8.467 ( 2.392 4.784 -0.213) 5.353 8.734 ( 0.000 0.000 -1.788) 1.788 9.256 ( 0.000 0.000 -0.021) 0.021 9.339 ( -1.147 -2.295 -0.417) 2.599 9.339 ( 1.147 2.295 -0.417) 2.599 9.681 ( -1.231 -2.462 1.750) 3.261 9.681 ( 1.231 2.462 1.750) 3.261 9.837 ( 0.000 0.000 -1.592) 1.592 10.195 ( -1.961 -3.922 -4.172) 6.053 10.195 ( 1.961 3.922 -4.172) 6.053 10.366 ( 0.000 0.000 0.616) 0.616 10.962 ( 0.000 0.000 4.123) 4.123 11.081 ( -1.831 -3.662 5.727) 7.040 11.081 ( 1.831 3.662 5.727) 7.040 11.950 ( 0.000 0.000 -6.361) 6.361 14.131 ( -1.360 -2.720 0.626) 3.105 14.131 ( 1.360 2.720 0.626) 3.105 ======================= Grid point 182 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 0.000 11.783) 11.783 0.704 ( 0.000 -0.000 11.783) 11.783 1.330 ( 0.000 0.000 21.995) 21.995 2.523 ( 0.000 0.000 -10.301) 10.301 2.523 ( 0.000 -0.000 -10.301) 10.301 2.921 ( 0.000 0.000 11.975) 11.975 3.263 ( 0.000 0.000 3.657) 3.657 3.405 ( 0.000 0.000 0.893) 0.893 3.405 ( 0.000 -0.000 0.893) 0.893 3.585 ( -0.000 0.000 -9.868) 9.868 3.825 ( 0.000 0.000 11.430) 11.430 3.825 ( 0.000 -0.000 11.430) 11.430 4.179 ( -0.000 -0.000 -1.313) 1.313 4.179 ( 0.000 0.000 -1.313) 1.313 4.238 ( 0.000 0.000 -5.818) 5.818 4.295 ( 0.000 0.000 -3.754) 3.754 4.295 ( 0.000 -0.000 -3.754) 3.754 4.354 ( -0.000 0.000 0.644) 0.644 4.718 ( -0.000 -0.000 -0.847) 0.847 4.718 ( 0.000 0.000 -0.847) 0.847 4.825 ( 0.000 0.000 -5.795) 5.795 5.290 ( 0.000 0.000 1.211) 1.211 5.308 ( 0.000 0.000 -0.728) 0.728 5.308 ( 0.000 0.000 -0.728) 0.728 5.816 ( 0.000 0.000 -0.916) 0.916 5.816 ( 0.000 -0.000 -0.916) 0.916 5.833 ( -0.000 0.000 -2.964) 2.964 5.979 ( 0.000 0.000 0.893) 0.893 5.979 ( 0.000 -0.000 0.893) 0.893 7.089 ( 0.000 0.000 4.784) 4.784 7.245 ( 0.000 0.000 -0.680) 0.680 7.245 ( 0.000 0.000 -0.680) 0.680 7.349 ( 0.000 0.000 0.115) 0.115 7.349 ( 0.000 -0.000 0.115) 0.115 8.063 ( 0.000 0.000 4.040) 4.040 8.153 ( -0.000 0.000 1.907) 1.907 8.276 ( -0.000 -0.000 1.218) 1.218 8.276 ( 0.000 -0.000 1.218) 1.218 8.365 ( -0.000 0.000 -1.944) 1.944 8.511 ( 0.000 -0.000 -7.344) 7.344 9.081 ( 0.000 0.000 -0.488) 0.488 9.081 ( -0.000 -0.000 -0.488) 0.488 9.504 ( 0.000 0.000 -0.313) 0.313 9.504 ( 0.000 -0.000 -0.313) 0.313 10.007 ( 0.000 0.000 3.659) 3.659 10.007 ( 0.000 -0.000 3.659) 3.659 10.301 ( -0.000 -0.000 -5.412) 5.412 10.301 ( 0.000 0.000 -5.412) 5.412 10.458 ( 0.000 0.000 1.840) 1.840 10.722 ( 0.000 0.000 1.732) 1.732 10.722 ( 0.000 -0.000 1.732) 1.732 13.634 ( 0.000 0.000 -0.123) 0.123 13.782 ( -0.000 0.000 -0.175) 0.175 14.386 ( -0.000 0.000 0.048) 0.048 ======================= Grid point 183 (46/88) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 7.213 7.846 9.890) 14.539 0.916 ( 15.027 5.801 10.349) 19.146 1.359 ( 3.131 3.999 12.886) 13.851 2.469 ( -1.044 -2.020 -7.074) 7.431 2.648 ( 6.558 3.057 -6.545) 9.756 2.889 ( -2.314 -1.727 10.979) 11.353 3.223 ( -2.520 -1.279 2.632) 3.862 3.372 ( -4.621 0.036 2.898) 5.455 3.432 ( 1.019 0.520 1.099) 1.586 3.561 ( 0.156 -3.604 -3.177) 4.807 3.705 ( -3.426 -5.688 3.700) 7.601 3.878 ( -2.107 4.418 8.241) 9.585 3.935 ( -14.116 -6.222 -0.302) 15.429 4.090 ( -7.664 -5.147 -2.691) 9.616 4.211 ( -1.405 -0.087 -2.540) 2.904 4.304 ( 2.395 1.980 -4.551) 5.511 4.327 ( -0.852 -2.375 2.119) 3.295 4.425 ( 2.830 2.217 -2.764) 4.535 4.643 ( -6.995 -4.792 -2.679) 8.892 4.697 ( 0.162 -3.763 0.178) 3.771 4.749 ( 0.663 2.835 -1.800) 3.423 5.272 ( -0.541 1.004 1.600) 1.965 5.306 ( 1.288 -2.910 -0.061) 3.183 5.445 ( 4.121 5.891 -1.129) 7.277 5.764 ( -4.381 -2.628 -0.728) 5.161 5.797 ( -2.579 1.282 -0.823) 2.995 5.939 ( -0.592 -3.075 0.322) 3.148 6.045 ( 4.864 1.573 -0.588) 5.146 6.082 ( 14.652 9.223 -8.958) 19.493 7.005 ( -6.795 -4.856 4.247) 9.370 7.141 ( -5.867 -4.747 -1.073) 7.623 7.257 ( -0.483 2.748 -0.518) 2.837 7.305 ( -3.782 -4.898 -0.622) 6.219 7.379 ( 2.944 2.872 0.259) 4.121 7.929 ( -10.493 -6.560 3.413) 12.837 8.121 ( 2.703 -0.082 4.879) 5.579 8.278 ( 3.411 3.787 -0.866) 5.170 8.345 ( 1.768 1.599 -0.187) 2.391 8.399 ( 2.432 0.723 -4.741) 5.377 8.667 ( 7.029 4.948 -0.009) 8.596 9.090 ( 1.154 -0.597 -0.667) 1.460 9.238 ( 9.701 8.382 -4.931) 13.737 9.514 ( 0.649 1.056 -0.109) 1.244 9.531 ( 2.939 0.248 -0.783) 3.051 9.970 ( -0.100 -1.245 3.143) 3.382 10.094 ( 3.610 4.326 2.682) 6.240 10.231 ( -0.297 -6.792 -3.625) 7.704 10.329 ( -1.716 5.211 -3.150) 6.327 10.552 ( 3.719 3.848 0.366) 5.364 10.713 ( -0.099 0.070 1.407) 1.412 10.794 ( 7.542 1.755 0.164) 7.745 13.428 ( -16.220 -9.331 1.702) 18.790 13.805 ( 2.087 1.000 -0.740) 2.430 14.374 ( -0.648 -0.444 0.505) 0.934 ======================= Grid point 184 (47/88) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 11.567 6.790 6.241) 14.793 1.201 ( 10.021 6.626 10.933) 16.243 1.570 ( 10.102 11.249 -2.462) 15.318 2.444 ( 0.502 -2.507 -2.706) 3.722 2.704 ( -1.660 -3.617 2.779) 4.854 2.861 ( 1.353 -0.901 4.086) 4.398 3.160 ( -3.051 -0.495 4.354) 5.339 3.242 ( -7.666 -4.853 6.197) 10.987 3.403 ( -1.394 -2.252 0.957) 2.817 3.496 ( -8.048 -1.646 2.695) 8.645 3.579 ( -9.632 -6.337 1.097) 11.582 3.720 ( 2.973 -0.230 -5.297) 6.078 3.876 ( -3.322 2.478 5.305) 6.732 3.908 ( -3.627 -4.527 -3.870) 6.973 4.151 ( -7.327 -0.427 -1.969) 7.599 4.296 ( 0.509 2.564 3.153) 4.096 4.395 ( 3.433 2.005 -4.789) 6.224 4.460 ( 4.147 -4.760 -0.420) 6.327 4.561 ( -1.821 -0.495 -4.704) 5.069 4.656 ( 0.145 -0.157 -1.065) 1.086 4.794 ( 1.050 2.226 -0.200) 2.469 5.212 ( -6.665 -1.254 1.577) 6.963 5.324 ( 2.448 -1.710 -0.058) 2.987 5.520 ( 2.209 -2.711 1.464) 3.791 5.682 ( -3.308 3.721 -1.034) 5.086 5.778 ( -0.556 0.702 -0.590) 1.073 5.936 ( 2.652 -0.806 -0.665) 2.850 6.120 ( 1.709 1.537 -2.433) 3.347 6.351 ( 6.473 4.427 -6.372) 10.105 6.760 ( -11.233 -9.868 2.437) 15.149 6.996 ( -7.571 -2.939 -1.167) 8.205 7.117 ( -7.746 -6.236 -1.252) 10.023 7.289 ( 1.353 0.747 0.329) 1.580 7.501 ( 5.852 4.143 -1.607) 7.348 7.768 ( -2.084 -2.046 1.725) 3.391 8.152 ( -1.715 -1.936 2.976) 3.943 8.276 ( 0.322 0.887 -1.079) 1.433 8.458 ( 5.201 5.984 -1.945) 8.163 8.524 ( 6.716 2.481 -1.067) 7.238 8.808 ( 5.180 2.638 1.117) 5.919 9.108 ( 1.531 -0.491 -0.607) 1.718 9.429 ( 1.744 5.850 -3.357) 6.967 9.543 ( 0.802 2.074 0.230) 2.236 9.649 ( 8.728 2.632 -3.371) 9.720 9.949 ( -1.943 -0.767 0.764) 2.224 10.179 ( 2.600 -6.503 -0.487) 7.020 10.219 ( 3.768 6.488 2.283) 7.843 10.351 ( -0.964 4.245 -1.433) 4.583 10.602 ( -1.472 3.069 3.021) 4.551 10.715 ( 1.693 -2.111 -0.460) 2.745 11.011 ( 11.596 4.176 -0.562) 12.338 12.957 ( -22.278 -12.721 1.829) 25.720 13.870 ( 3.669 1.479 -1.648) 4.286 14.356 ( -0.939 -0.733 0.720) 1.392 ======================= Grid point 185 (48/88) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 11.475 3.506 3.229) 12.426 1.451 ( 9.306 9.389 6.749) 14.843 1.837 ( 6.176 9.442 -4.870) 12.289 2.416 ( 0.485 -4.593 0.832) 4.693 2.631 ( -2.039 -1.393 -0.349) 2.494 2.799 ( -4.884 -4.938 4.594) 8.327 2.988 ( -9.546 -8.004 1.302) 12.526 3.168 ( -3.633 4.288 5.472) 7.844 3.254 ( -4.084 -8.183 5.993) 10.934 3.350 ( -7.884 -0.866 0.908) 7.983 3.452 ( -0.759 -0.703 2.692) 2.884 3.721 ( -2.459 -0.431 -1.806) 3.081 3.878 ( -2.018 6.001 3.441) 7.206 3.934 ( 7.774 -2.781 -5.270) 9.795 4.006 ( -4.464 -2.990 -0.202) 5.377 4.318 ( -2.236 0.415 -0.091) 2.276 4.418 ( 2.770 -5.063 -1.637) 5.999 4.533 ( 3.787 2.086 -0.139) 4.325 4.566 ( 4.574 0.461 -5.760) 7.370 4.708 ( -0.670 6.431 -3.867) 7.534 4.837 ( 1.759 2.135 2.756) 3.905 5.034 ( -9.309 -2.612 1.417) 9.771 5.354 ( 3.608 -1.574 -0.776) 4.012 5.528 ( 4.211 -5.553 2.248) 7.323 5.680 ( -3.418 4.547 -0.673) 5.728 5.791 ( 1.205 0.535 -1.006) 1.659 5.994 ( 3.761 -1.177 -1.143) 4.103 6.116 ( -5.770 3.397 -2.386) 7.108 6.394 ( -6.758 0.028 -0.084) 6.759 6.495 ( -2.698 -7.401 -0.003) 7.877 6.797 ( -6.912 -6.190 -0.507) 9.292 6.981 ( -3.482 -2.944 -1.597) 4.831 7.317 ( 0.746 0.762 1.424) 1.779 7.621 ( 2.867 2.686 -0.859) 4.021 7.793 ( 4.172 1.527 -2.729) 5.214 8.050 ( -4.898 -2.630 -1.868) 5.865 8.338 ( 3.589 0.945 1.754) 4.105 8.572 ( 1.671 3.912 -5.080) 6.626 8.672 ( 6.546 2.677 1.583) 7.247 8.913 ( 4.459 1.325 0.858) 4.730 9.137 ( 1.944 0.227 -0.021) 1.957 9.465 ( -0.649 1.577 -1.700) 2.408 9.575 ( -0.255 2.267 0.331) 2.305 9.790 ( 1.455 0.432 -3.401) 3.724 9.925 ( 1.385 3.351 -2.582) 4.451 10.154 ( -0.664 -3.224 3.540) 4.834 10.355 ( 3.731 6.400 2.684) 7.879 10.410 ( 3.511 3.943 0.236) 5.285 10.572 ( -3.370 0.110 2.939) 4.473 10.737 ( 3.808 -3.255 -1.102) 5.130 11.249 ( 10.193 4.160 1.762) 11.149 12.433 ( -21.644 -12.115 -1.373) 24.842 13.960 ( 4.554 1.725 -1.345) 5.052 14.316 ( -2.341 -1.677 0.588) 2.939 ======================= Grid point 186 (49/88) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 5.501 0.147 2.050) 5.872 1.697 ( 5.826 10.055 4.044) 12.305 1.928 ( -1.252 -0.669 -2.564) 2.931 2.405 ( -0.165 -0.194 2.101) 2.117 2.563 ( -0.715 -4.067 -0.939) 4.235 2.688 ( -0.463 -2.587 4.256) 5.003 2.853 ( -0.540 0.317 -2.587) 2.662 2.991 ( -9.571 -3.496 -1.268) 10.268 3.201 ( -5.419 0.058 5.959) 8.054 3.271 ( 2.801 0.100 8.417) 8.871 3.468 ( 0.956 -0.124 4.151) 4.262 3.676 ( -1.814 -0.423 -0.988) 2.109 3.871 ( -5.179 4.741 2.425) 7.428 3.946 ( 1.183 1.158 -0.927) 1.897 4.062 ( 7.996 -6.090 -5.484) 11.450 4.254 ( -3.484 -0.505 -1.458) 3.810 4.428 ( 4.967 -5.935 0.608) 7.763 4.615 ( -0.879 2.676 -1.528) 3.205 4.627 ( 1.687 -1.310 -1.518) 2.620 4.735 ( -3.125 7.477 -3.274) 8.740 4.861 ( -0.547 -2.554 2.292) 3.475 4.934 ( 0.721 2.433 -0.235) 2.549 5.453 ( 7.761 1.992 -1.509) 8.153 5.537 ( 0.253 -2.542 1.965) 3.223 5.632 ( -3.662 -1.423 -0.234) 3.936 5.813 ( 0.440 -1.328 -2.101) 2.524 5.960 ( -7.061 1.828 2.486) 7.706 6.034 ( -0.693 -2.114 -2.518) 3.360 6.324 ( -1.128 5.778 -0.795) 5.941 6.423 ( -0.906 -6.408 0.272) 6.478 6.694 ( -0.043 -1.842 -0.944) 2.070 6.907 ( -1.905 -2.313 -0.348) 3.017 7.328 ( -0.357 0.714 2.016) 2.168 7.668 ( 0.579 1.455 0.723) 1.725 7.885 ( 2.285 1.736 -3.709) 4.690 7.953 ( -2.183 -2.714 -5.371) 6.401 8.396 ( 2.459 -0.529 1.712) 3.042 8.604 ( -0.892 1.210 -4.757) 4.989 8.787 ( 3.529 1.691 0.830) 4.000 8.988 ( 2.313 0.990 0.478) 2.561 9.174 ( 1.516 0.303 0.199) 1.559 9.458 ( -1.128 0.824 -1.031) 1.736 9.576 ( -0.455 0.132 0.024) 0.475 9.755 ( -2.089 -0.804 -2.370) 3.260 9.999 ( -0.484 0.014 -2.295) 2.346 10.117 ( -1.516 5.102 2.737) 5.985 10.455 ( -4.309 1.961 2.018) 5.146 10.484 ( 1.881 6.229 4.360) 7.832 10.583 ( 8.681 -1.170 0.420) 8.769 10.770 ( 3.753 -4.098 -0.943) 5.636 11.428 ( 4.373 0.921 6.115) 7.574 12.006 ( -12.457 -6.354 -6.714) 15.512 14.054 ( 3.639 1.206 -0.196) 3.839 14.246 ( -2.641 -1.967 0.116) 3.295 ======================= Grid point 187 (50/88) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -7.559 -1.059 2.357) 7.989 1.698 ( -9.230 -5.949 4.461) 11.853 1.925 ( 0.460 1.982 -2.943) 3.578 2.370 ( 0.239 -0.020 3.111) 3.120 2.625 ( 8.040 2.161 -1.764) 8.511 2.754 ( 4.738 1.373 4.950) 6.988 2.863 ( -0.508 -0.833 -5.330) 5.419 2.925 ( 7.140 1.820 -1.493) 7.518 3.167 ( 0.144 1.235 7.044) 7.153 3.312 ( 0.626 2.211 8.089) 8.409 3.466 ( -2.145 2.312 5.657) 6.477 3.656 ( 1.030 -1.975 0.697) 2.334 3.840 ( -3.678 4.358 -0.857) 5.767 3.977 ( 0.959 -0.457 -1.725) 2.026 4.107 ( 4.466 -5.501 -5.041) 8.696 4.202 ( -3.492 2.936 -0.530) 4.593 4.451 ( 2.580 -4.098 1.413) 5.045 4.543 ( -6.477 -1.156 0.005) 6.579 4.595 ( 0.772 -5.698 0.692) 5.791 4.741 ( -1.753 1.261 -4.882) 5.338 4.904 ( 4.361 3.746 0.673) 5.789 4.974 ( 0.201 0.740 -1.078) 1.323 5.439 ( -6.261 -1.558 -0.763) 6.497 5.567 ( -3.370 2.898 1.628) 4.733 5.637 ( 7.339 0.496 -1.493) 7.505 5.780 ( -1.820 0.707 -1.163) 2.273 5.941 ( -0.240 2.868 1.881) 3.438 6.026 ( 4.552 -5.036 -0.814) 6.837 6.335 ( 2.472 -3.549 -0.877) 4.413 6.448 ( 2.622 7.161 -0.731) 7.661 6.719 ( 1.760 2.427 -2.002) 3.605 6.871 ( 0.700 -2.429 1.083) 2.750 7.322 ( -1.123 0.939 1.848) 2.358 7.673 ( -0.830 -0.300 0.955) 1.300 7.849 ( -3.789 -0.318 -2.164) 4.375 7.965 ( 2.659 -1.197 -5.948) 6.625 8.408 ( 0.260 -1.949 0.973) 2.194 8.573 ( -2.592 -0.765 -2.780) 3.877 8.823 ( -0.332 -0.271 -1.082) 1.164 8.996 ( -2.299 0.370 0.263) 2.343 9.183 ( -0.291 -1.045 -0.091) 1.089 9.461 ( -0.539 2.520 -1.285) 2.880 9.581 ( 1.694 -1.085 -0.115) 2.015 9.725 ( -0.373 -1.002 -1.224) 1.625 9.919 ( -4.606 -1.778 0.970) 5.031 10.175 ( -2.308 7.845 1.314) 8.283 10.365 ( -3.119 -3.119 -0.982) 4.519 10.580 ( -0.159 7.894 3.167) 8.507 10.726 ( 7.787 -2.872 -0.676) 8.328 10.773 ( 1.211 -3.896 -1.043) 4.211 11.299 ( -11.419 -7.678 8.186) 16.011 12.027 ( 11.849 7.124 -6.210) 15.156 14.055 ( -2.981 -2.483 -0.159) 3.883 14.241 ( 2.776 1.109 0.247) 2.999 ======================= Grid point 188 (51/88) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -13.922 -1.134 3.827) 14.483 1.427 ( -11.209 -7.631 8.125) 15.808 1.814 ( -9.588 -5.894 -4.745) 12.215 2.485 ( 7.660 4.639 2.500) 9.298 2.773 ( 0.721 -2.540 -9.361) 9.726 2.844 ( 6.817 3.954 5.292) 9.492 2.918 ( 5.311 1.754 1.714) 5.850 3.123 ( 10.186 1.046 3.162) 10.716 3.238 ( 7.293 3.316 5.665) 9.812 3.332 ( -1.361 3.054 7.828) 8.512 3.466 ( 0.694 1.972 4.709) 5.152 3.679 ( 2.134 1.380 -0.576) 2.606 3.830 ( -3.682 6.373 -2.154) 7.669 3.949 ( 0.043 -5.647 -1.862) 5.946 4.126 ( 2.544 -2.064 -3.232) 4.602 4.209 ( -1.050 6.384 1.279) 6.595 4.415 ( -4.114 -3.864 -1.257) 5.782 4.442 ( -0.429 -0.038 0.763) 0.876 4.571 ( 3.039 -5.934 -0.253) 6.671 4.707 ( -1.916 -0.928 -4.873) 5.318 4.935 ( -2.874 -1.985 -1.866) 3.960 5.060 ( 7.586 4.250 0.785) 8.731 5.355 ( -2.750 -0.063 -0.516) 2.799 5.539 ( -4.847 7.347 1.698) 8.964 5.685 ( 0.885 -3.526 -0.791) 3.721 5.776 ( -0.433 0.645 -1.495) 1.685 5.937 ( -1.539 -0.486 1.237) 2.034 6.075 ( 5.319 -5.284 -1.051) 7.571 6.471 ( 8.849 6.995 0.662) 11.299 6.538 ( 2.263 1.348 -4.570) 5.274 6.814 ( 5.516 3.063 -1.287) 6.439 6.890 ( 3.836 0.436 2.092) 4.391 7.310 ( -1.434 1.198 0.773) 2.022 7.626 ( -3.111 -2.229 0.134) 3.830 7.792 ( -2.617 0.876 -1.500) 3.141 7.997 ( 2.759 -1.069 -1.242) 3.209 8.371 ( -1.517 -2.621 0.102) 3.030 8.504 ( -3.613 -1.663 -1.003) 4.102 8.767 ( -4.583 -2.294 -2.868) 5.873 8.931 ( -4.554 -0.519 0.320) 4.594 9.151 ( -1.367 -1.547 -0.463) 2.116 9.465 ( -2.101 2.015 -2.034) 3.551 9.596 ( 1.426 -2.734 -0.469) 3.119 9.687 ( -4.230 -0.823 0.855) 4.393 9.874 ( 1.760 0.145 -0.602) 1.865 10.165 ( -4.703 3.308 3.526) 6.745 10.301 ( -1.222 -2.642 -3.527) 4.573 10.634 ( -2.471 7.341 2.931) 8.282 10.683 ( -5.347 -3.918 -5.026) 8.319 10.809 ( 4.629 -5.201 -2.836) 7.518 11.033 ( -9.031 -6.814 8.870) 14.376 12.424 ( 20.386 11.759 -0.930) 23.553 13.958 ( -3.943 -3.016 -1.163) 5.099 14.310 ( 2.738 1.233 0.757) 3.097 ======================= Grid point 189 (52/88) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -12.839 -2.211 6.890) 14.738 1.182 ( -9.033 -5.825 13.174) 17.003 1.540 ( -12.760 -5.936 -3.491) 14.500 2.615 ( 1.012 2.225 -0.688) 2.540 2.703 ( -2.248 -7.483 -4.087) 8.818 2.898 ( -2.206 -2.717 6.406) 7.299 3.025 ( 7.508 5.664 2.371) 9.699 3.343 ( -0.314 3.901 4.755) 6.159 3.395 ( 13.946 4.176 2.162) 14.717 3.440 ( 9.925 1.593 6.141) 11.779 3.512 ( 1.718 0.843 3.093) 3.637 3.774 ( 1.993 8.213 -4.577) 9.612 3.813 ( -0.197 1.563 -1.706) 2.323 3.949 ( 4.086 -0.416 0.930) 4.211 4.174 ( 2.180 3.742 -1.887) 4.724 4.272 ( 1.636 3.675 1.113) 4.174 4.329 ( -0.637 -3.974 -1.662) 4.355 4.435 ( -2.006 0.177 -0.645) 2.114 4.574 ( 3.219 -2.887 -0.024) 4.324 4.681 ( 0.111 -0.276 -4.915) 4.924 4.852 ( -3.735 -2.244 -2.463) 5.005 5.223 ( 6.035 2.097 0.995) 6.466 5.307 ( -2.426 -1.144 0.994) 2.860 5.551 ( -3.749 5.708 0.688) 6.864 5.654 ( 1.159 -1.089 -0.575) 1.691 5.775 ( 0.344 0.773 -1.006) 1.314 5.918 ( 0.713 -0.846 0.486) 1.208 6.076 ( 0.357 -4.320 -1.863) 4.718 6.429 ( -9.904 -3.201 -8.262) 13.289 6.796 ( 13.600 7.460 0.055) 15.512 6.917 ( 6.442 -0.698 3.486) 7.358 7.070 ( 10.177 5.704 0.265) 11.669 7.291 ( -2.014 0.887 -0.490) 2.254 7.524 ( -5.112 -2.775 -0.771) 5.868 7.796 ( 1.823 2.924 0.502) 3.482 8.044 ( 3.159 -0.454 3.725) 4.905 8.318 ( -1.474 -1.843 -0.612) 2.438 8.417 ( -4.214 -1.775 -0.352) 4.586 8.619 ( -8.034 -4.145 -4.020) 9.894 8.832 ( -5.358 -1.763 0.297) 5.649 9.112 ( -1.323 -1.156 -0.589) 1.853 9.413 ( -5.747 -0.453 -3.396) 6.691 9.567 ( -2.971 -1.132 -0.277) 3.191 9.585 ( -2.772 -3.023 -0.597) 4.144 9.936 ( 3.181 0.077 0.739) 3.266 10.117 ( -2.346 1.045 1.169) 2.822 10.246 ( -1.637 -2.922 -1.295) 3.591 10.524 ( -7.600 -2.604 -6.321) 10.222 10.644 ( -5.043 6.600 2.374) 8.639 10.802 ( 0.671 -5.548 -0.387) 5.602 10.832 ( -5.470 -7.027 3.319) 9.503 12.941 ( 22.552 13.041 2.528) 26.173 13.868 ( -3.055 -2.328 -1.468) 4.112 14.353 ( 1.253 0.532 0.779) 1.568 ======================= Grid point 190 (53/88) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -9.109 -1.484 10.260) 13.800 0.923 ( -12.156 -9.688 11.178) 19.146 1.348 ( -3.820 -0.267 12.057) 12.651 2.556 ( -4.354 -4.575 -2.899) 6.949 2.590 ( -2.715 -1.548 -11.031) 11.465 2.897 ( 1.677 0.572 11.480) 11.616 3.194 ( 5.458 3.447 1.746) 6.687 3.382 ( 0.452 3.299 2.598) 4.223 3.445 ( -2.532 -1.803 1.032) 3.276 3.574 ( 3.736 -2.493 -5.654) 7.221 3.675 ( 9.376 2.655 9.968) 13.940 3.854 ( 1.414 4.551 5.546) 7.312 3.971 ( 6.460 11.039 -1.806) 12.917 4.064 ( 8.917 -0.043 -1.840) 9.105 4.243 ( -0.774 4.696 -1.587) 5.017 4.301 ( 3.988 -5.255 -3.866) 7.646 4.330 ( -2.151 0.962 -0.934) 2.534 4.391 ( -0.807 0.626 0.567) 1.168 4.645 ( 6.240 1.783 -0.853) 6.545 4.693 ( 1.953 -0.916 -3.282) 3.927 4.773 ( -3.163 -0.191 -1.648) 3.572 5.262 ( -0.726 -0.335 1.347) 1.566 5.302 ( 2.245 -0.723 0.445) 2.400 5.456 ( -7.589 -1.050 -1.110) 7.741 5.750 ( 4.744 3.784 -0.493) 6.088 5.803 ( 0.932 1.360 -1.119) 1.992 5.946 ( 1.754 1.258 0.260) 2.174 6.004 ( -3.264 -5.636 -1.986) 6.809 6.122 ( -15.412 -8.035 -7.448) 18.910 7.019 ( 5.243 2.951 4.205) 7.341 7.104 ( 11.182 4.365 0.244) 12.006 7.262 ( -1.473 0.269 -0.826) 1.710 7.272 ( 5.940 3.234 0.446) 6.778 7.410 ( -4.302 -2.118 -0.557) 4.828 7.942 ( 9.120 5.858 2.891) 11.218 8.089 ( 2.896 -0.504 4.801) 5.629 8.266 ( -3.566 -1.473 -0.334) 3.873 8.337 ( -3.234 -0.914 0.075) 3.361 8.438 ( -5.355 -3.571 -5.111) 8.219 8.688 ( -8.729 -3.879 -1.029) 9.607 9.086 ( -0.302 -1.019 -0.416) 1.142 9.228 ( -10.756 -4.116 -4.555) 12.385 9.512 ( -1.332 -0.294 -0.127) 1.370 9.533 ( -1.419 -1.874 -0.702) 2.453 9.967 ( 1.514 -0.579 3.330) 3.703 10.081 ( -3.807 0.137 1.667) 4.158 10.229 ( 3.860 -2.109 -2.307) 4.967 10.382 ( -6.738 0.260 -5.989) 9.019 10.556 ( -7.014 -1.737 0.919) 7.284 10.722 ( -1.521 -0.234 2.928) 3.308 10.759 ( -0.454 -4.023 -0.319) 4.061 13.423 ( 16.657 9.639 1.936) 19.342 13.805 ( -1.868 -1.274 -0.710) 2.370 14.373 ( 0.754 0.366 0.506) 0.979 ======================= Grid point 192 (54/88) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.046 12.999 7.031) 16.372 1.102 ( 8.103 10.185 10.350) 16.629 1.502 ( 7.900 9.295 1.136) 12.251 2.510 ( -5.775 5.272 -6.386) 10.096 2.676 ( 1.817 -1.016 3.699) 4.244 2.857 ( -1.441 -0.154 5.389) 5.581 3.134 ( 0.747 -7.032 3.356) 7.827 3.328 ( -6.915 -4.070 5.244) 9.586 3.412 ( -4.235 -6.133 3.493) 8.231 3.521 ( 5.364 -0.982 0.932) 5.532 3.576 ( -0.101 -5.723 -0.459) 5.742 3.743 ( -9.911 -7.241 1.594) 12.377 3.902 ( -3.478 -8.296 -4.483) 10.051 3.946 ( -0.604 -0.523 1.378) 1.593 4.250 ( 0.769 3.662 -2.210) 4.346 4.298 ( -1.008 -0.915 0.699) 1.530 4.317 ( 2.217 -7.704 -0.692) 8.047 4.407 ( 0.212 4.854 -1.990) 5.250 4.567 ( -1.419 -5.078 -0.113) 5.274 4.669 ( -0.432 1.737 -3.805) 4.205 4.822 ( 0.942 4.415 -1.632) 4.800 5.256 ( -0.981 -1.915 1.290) 2.508 5.284 ( 0.857 0.024 1.142) 1.428 5.542 ( -3.450 2.065 -0.967) 4.135 5.698 ( 1.315 -2.189 0.056) 2.554 5.816 ( 0.724 -0.375 -1.645) 1.836 5.865 ( -1.652 -2.600 0.607) 3.140 6.071 ( 3.732 0.757 -1.997) 4.300 6.347 ( 4.019 12.985 -8.580) 16.074 6.860 ( -9.517 -7.882 3.768) 12.919 6.978 ( 2.351 -12.182 0.637) 12.423 7.112 ( -6.468 -10.660 0.452) 12.477 7.318 ( 1.253 2.660 -1.191) 3.172 7.467 ( 1.547 4.757 -1.204) 5.145 7.815 ( -4.087 -2.603 1.613) 5.107 8.089 ( 3.254 -3.292 4.734) 6.621 8.310 ( -0.011 0.584 -1.768) 1.862 8.400 ( 4.028 3.413 0.074) 5.280 8.522 ( 0.497 9.084 -3.901) 9.899 8.795 ( 1.854 6.171 0.629) 6.474 9.106 ( 0.645 2.131 -0.320) 2.249 9.439 ( 6.863 7.891 -6.411) 12.267 9.545 ( 1.811 0.941 -0.734) 2.169 9.556 ( 1.531 3.948 0.134) 4.237 9.959 ( 1.298 -0.210 3.345) 3.594 10.111 ( -1.897 -2.942 -2.994) 4.606 10.213 ( 2.780 5.094 1.263) 5.939 10.443 ( -2.045 5.993 -4.034) 7.507 10.682 ( -1.158 7.755 0.927) 7.895 10.721 ( -2.660 0.950 1.461) 3.180 10.830 ( 11.418 1.699 0.715) 11.566 13.090 ( -11.945 -21.944 2.555) 25.114 13.842 ( 1.534 2.572 -1.251) 3.246 14.359 ( -0.503 -1.025 0.790) 1.388 ======================= Grid point 193 (55/88) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 5.374 9.989 4.438) 12.180 1.411 ( 10.501 14.319 6.428) 18.885 1.752 ( 10.373 4.916 -5.363) 12.670 2.437 ( -6.464 -0.285 -0.361) 6.480 2.646 ( -0.437 -0.410 1.926) 2.017 2.827 ( -3.401 -2.816 3.353) 5.544 3.095 ( -3.051 -8.011 7.113) 11.139 3.114 ( -3.990 -3.666 4.659) 7.146 3.269 ( -3.375 -11.199 4.907) 12.684 3.450 ( -6.908 -2.010 -1.699) 7.392 3.507 ( -4.642 -4.556 1.706) 6.725 3.683 ( 6.581 -2.446 -1.150) 7.115 3.789 ( -0.590 -0.440 -0.807) 1.092 3.955 ( -0.883 2.898 -1.813) 3.531 4.149 ( -9.187 -0.271 1.623) 9.334 4.293 ( 3.186 -7.731 -2.767) 8.808 4.350 ( -1.256 0.131 -1.251) 1.778 4.470 ( 4.432 3.061 -2.220) 5.826 4.536 ( 3.083 1.435 -0.073) 3.402 4.727 ( 2.932 4.588 -3.094) 6.262 4.903 ( 0.478 7.855 -0.597) 7.892 5.202 ( -6.027 0.130 0.591) 6.057 5.280 ( -0.990 -2.051 1.146) 2.549 5.417 ( -1.086 -5.736 0.469) 5.857 5.723 ( 0.276 -0.547 -0.565) 0.834 5.800 ( -1.895 0.438 -1.107) 2.238 5.891 ( 5.111 -2.751 -0.639) 5.839 6.138 ( 4.016 -0.355 -2.072) 4.533 6.471 ( -0.730 5.141 -4.447) 6.837 6.589 ( -12.258 -5.528 3.271) 13.839 6.836 ( -4.953 -14.964 0.629) 15.775 6.928 ( -1.101 -5.324 -0.352) 5.448 7.356 ( -0.888 3.960 -0.401) 4.078 7.562 ( 4.773 1.232 -1.806) 5.250 7.787 ( 0.046 3.749 -1.216) 3.941 8.071 ( -0.513 -5.130 0.754) 5.211 8.315 ( -0.306 2.424 0.150) 2.448 8.542 ( 8.505 0.454 1.446) 8.639 8.608 ( 0.033 6.093 -4.821) 7.770 8.893 ( 2.475 5.764 0.827) 6.327 9.143 ( 0.400 3.499 0.037) 3.522 9.493 ( -1.313 0.507 -1.963) 2.416 9.608 ( 0.552 3.555 0.349) 3.614 9.713 ( 8.238 2.900 -4.791) 9.961 9.989 ( -0.820 4.309 1.808) 4.745 10.053 ( 1.666 -5.151 -1.073) 5.519 10.339 ( 4.606 5.343 1.188) 7.154 10.462 ( -2.047 5.927 -3.024) 6.962 10.667 ( -2.944 -1.346 -0.109) 3.239 10.712 ( -2.958 6.329 4.638) 8.386 11.073 ( 12.618 1.560 1.719) 12.829 12.618 ( -16.382 -19.186 0.224) 25.229 13.909 ( 3.109 2.309 -1.260) 4.072 14.328 ( -1.393 -2.165 0.841) 2.708 ======================= Grid point 194 (56/88) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 5.926 7.279 1.596) 9.521 1.720 ( 6.263 15.358 3.844) 17.025 1.915 ( 4.008 -1.072 -4.270) 5.953 2.342 ( 0.499 -2.072 0.884) 2.308 2.631 ( -4.766 -0.386 1.509) 5.014 2.691 ( -4.306 -5.588 4.278) 8.251 2.882 ( -5.119 -2.832 -0.900) 5.919 3.036 ( -3.507 -11.163 3.150) 12.118 3.199 ( 4.082 -1.591 9.210) 10.199 3.286 ( -7.954 -6.440 -0.459) 10.245 3.425 ( 0.955 -1.242 4.919) 5.162 3.744 ( -1.310 3.387 -4.433) 5.731 3.857 ( 6.680 -2.195 0.053) 7.031 3.946 ( -1.682 -0.414 -1.503) 2.294 4.033 ( -4.948 4.935 2.447) 7.404 4.248 ( 0.939 -7.529 -3.032) 8.171 4.292 ( 1.022 -4.140 0.930) 4.364 4.613 ( 2.662 4.282 -4.482) 6.746 4.658 ( 4.967 8.187 0.158) 9.577 4.829 ( 1.699 4.422 -1.880) 5.096 4.947 ( -6.384 7.809 1.282) 10.167 5.030 ( -10.036 1.914 0.397) 10.225 5.291 ( 7.576 -3.683 -0.110) 8.425 5.440 ( 6.228 -3.091 0.378) 6.963 5.669 ( -3.408 -5.408 -0.477) 6.410 5.780 ( 0.410 -1.340 -1.339) 1.939 5.906 ( 1.383 -6.301 -0.817) 6.503 6.197 ( -1.910 3.448 -1.002) 4.067 6.358 ( -3.894 -3.871 1.880) 5.804 6.428 ( -6.229 -1.983 -1.274) 6.660 6.681 ( -0.654 -2.711 -0.508) 2.835 6.871 ( 0.150 -5.038 0.498) 5.065 7.370 ( -1.627 3.235 0.609) 3.672 7.633 ( 3.364 -1.752 -0.104) 3.794 7.860 ( 2.308 4.272 -5.508) 7.343 7.997 ( -2.730 -2.384 -1.909) 4.097 8.340 ( 1.317 0.275 1.412) 1.950 8.635 ( -0.937 1.457 -4.740) 5.046 8.684 ( 7.187 -1.420 1.081) 7.405 8.999 ( 1.974 7.100 0.455) 7.383 9.192 ( 0.160 4.572 0.506) 4.603 9.469 ( -0.583 -1.124 -1.399) 1.886 9.611 ( -3.047 1.226 0.446) 3.315 9.800 ( -0.317 1.065 -3.136) 3.327 10.021 ( -0.937 0.321 -2.217) 2.428 10.089 ( 6.172 1.260 -0.121) 6.300 10.482 ( 4.577 4.951 -0.554) 6.766 10.513 ( 1.949 6.343 1.535) 6.811 10.580 ( -6.002 -0.030 3.129) 6.768 10.721 ( -1.291 2.674 2.180) 3.684 11.287 ( 10.601 -0.861 4.576) 11.578 12.162 ( -15.005 -13.361 -3.879) 20.463 13.996 ( 4.141 1.806 -0.400) 4.535 14.264 ( -2.426 -3.407 0.621) 4.228 ======================= Grid point 195 (57/88) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.747 5.695 1.051) 5.839 1.797 ( -7.635 -4.410 1.158) 8.893 1.956 ( 1.328 7.519 -1.267) 7.740 2.417 ( -0.672 1.531 3.772) 4.126 2.511 ( 1.803 -0.469 -0.084) 1.865 2.648 ( 4.855 -1.605 3.246) 6.056 2.832 ( 0.592 -5.507 -2.630) 6.131 2.886 ( -2.358 -3.144 0.031) 3.930 3.158 ( 0.453 -4.540 4.814) 6.633 3.278 ( 5.565 -0.006 8.222) 9.929 3.433 ( 1.181 -2.607 5.303) 6.027 3.698 ( -5.589 2.503 -2.293) 6.539 3.927 ( 1.388 0.826 -2.095) 2.645 3.947 ( 3.890 -2.863 -2.577) 5.474 4.031 ( -2.781 5.217 0.011) 5.912 4.217 ( 2.334 -4.068 -1.622) 4.962 4.304 ( 5.141 -4.750 1.570) 7.174 4.623 ( -5.300 2.114 -0.977) 5.789 4.724 ( -10.569 4.895 0.613) 11.664 4.830 ( -0.558 3.485 -1.994) 4.054 4.927 ( -2.647 7.869 -0.319) 8.308 4.983 ( 0.400 2.074 -0.547) 2.182 5.438 ( 7.788 -4.605 -0.926) 9.095 5.510 ( 1.057 -1.614 -1.516) 2.453 5.565 ( 4.348 -2.223 2.096) 5.314 5.762 ( 0.184 -3.880 -0.874) 3.981 5.858 ( 1.185 -5.467 -0.466) 5.614 6.124 ( -6.944 5.273 0.191) 8.721 6.264 ( -1.305 -7.284 -0.495) 7.416 6.442 ( 5.039 4.119 -0.502) 6.527 6.695 ( 2.025 -0.057 -1.265) 2.388 6.834 ( -0.058 -2.079 1.370) 2.491 7.369 ( -1.636 2.583 1.061) 3.236 7.646 ( 1.332 -3.623 1.010) 3.990 7.907 ( -0.295 -0.971 -5.521) 5.614 7.953 ( -1.773 3.517 -3.940) 5.571 8.360 ( 1.296 -1.134 1.307) 2.162 8.604 ( -2.181 -1.465 -3.357) 4.263 8.765 ( 4.489 -3.212 -0.302) 5.528 9.077 ( -2.074 6.079 0.118) 6.424 9.223 ( -1.988 3.895 0.451) 4.396 9.471 ( 1.901 0.215 -1.212) 2.265 9.563 ( -1.891 0.102 0.059) 1.895 9.770 ( -3.600 1.226 -1.299) 4.019 9.970 ( -2.591 -2.630 0.450) 3.719 10.226 ( 4.651 3.874 -6.359) 8.779 10.442 ( -7.961 -0.562 4.500) 9.162 10.576 ( 3.708 0.930 -4.729) 6.080 10.678 ( 3.153 9.996 8.473) 13.478 10.718 ( 0.515 -0.720 0.060) 0.888 11.348 ( -1.890 -8.428 8.959) 12.445 11.931 ( 1.584 -0.904 -8.063) 8.267 14.061 ( 0.572 -0.602 0.461) 0.950 14.204 ( 0.711 -1.854 0.250) 2.001 ======================= Grid point 197 (58/88) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -11.241 6.033 2.071) 12.924 1.560 ( -10.931 -5.575 3.949) 12.890 1.914 ( -8.763 -3.787 -3.351) 10.117 2.397 ( 4.421 1.886 2.632) 5.479 2.703 ( 9.594 4.118 0.055) 10.440 2.745 ( 3.509 -3.907 -3.519) 6.321 2.848 ( 5.943 1.850 3.148) 6.975 2.917 ( 9.361 -0.189 1.606) 9.500 3.175 ( 3.677 -1.437 6.688) 7.766 3.375 ( 1.934 2.848 7.240) 8.017 3.412 ( 2.360 -4.164 5.629) 7.389 3.648 ( -0.628 -0.280 -1.801) 1.928 3.922 ( -2.151 -0.600 1.414) 2.643 3.980 ( -3.141 3.488 -7.182) 8.579 4.044 ( 3.544 0.768 -2.090) 4.186 4.240 ( 3.476 -2.297 -0.842) 4.250 4.358 ( 5.117 -3.133 1.817) 6.269 4.527 ( -4.733 -0.173 0.972) 4.835 4.553 ( -10.664 1.935 0.467) 10.848 4.793 ( -6.177 3.126 -4.170) 8.082 4.982 ( -1.616 2.105 -1.323) 2.965 5.036 ( 2.190 7.114 0.035) 7.443 5.371 ( -1.206 -5.060 -0.210) 5.206 5.560 ( 4.596 -8.069 -1.216) 9.365 5.658 ( -0.403 5.311 1.777) 5.615 5.797 ( 5.015 0.411 -1.591) 5.277 5.818 ( 3.219 -7.453 1.472) 8.250 6.064 ( -4.716 2.757 -1.791) 5.749 6.311 ( 10.379 2.248 -0.295) 10.624 6.565 ( 2.815 4.085 -0.491) 4.985 6.719 ( 3.594 -4.988 -0.540) 6.172 6.842 ( 1.605 1.783 0.541) 2.459 7.369 ( -1.744 3.211 0.590) 3.701 7.612 ( -0.191 -4.670 0.877) 4.755 7.872 ( -3.190 1.116 -3.037) 4.543 7.968 ( 0.348 1.254 -3.602) 3.829 8.359 ( -0.360 -0.774 0.824) 1.186 8.539 ( -2.595 -2.454 -1.617) 3.921 8.773 ( 0.286 -3.878 -2.227) 4.481 9.035 ( -6.238 1.493 0.279) 6.420 9.202 ( -3.535 2.275 0.229) 4.210 9.519 ( 1.964 -0.167 -1.417) 2.428 9.559 ( -1.406 3.668 -1.218) 4.113 9.725 ( -1.706 -0.033 0.698) 1.844 9.902 ( -2.614 0.078 -0.447) 2.653 10.268 ( -3.308 -5.789 -1.851) 6.920 10.324 ( -4.236 6.458 0.096) 7.724 10.646 ( 4.023 -3.303 -3.737) 6.407 10.673 ( -1.217 -1.669 -3.147) 3.765 10.824 ( -0.542 9.428 5.999) 11.188 11.115 ( -9.480 -9.926 9.015) 16.421 12.163 ( 18.110 5.559 -3.876) 19.336 13.998 ( -3.791 -2.686 -0.325) 4.657 14.258 ( 4.115 0.555 0.782) 4.225 ======================= Grid point 198 (59/88) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -11.613 -4.168 8.079) 14.748 1.331 ( -18.230 5.013 4.409) 19.413 1.700 ( -9.766 -3.050 -5.180) 11.468 2.539 ( 7.471 -0.908 1.898) 7.761 2.676 ( -1.910 -4.527 -5.086) 7.072 2.874 ( 3.704 -2.534 3.387) 5.623 2.980 ( 4.097 5.682 6.409) 9.495 3.174 ( 15.289 3.364 2.155) 15.803 3.235 ( 6.958 -3.451 6.880) 10.376 3.418 ( 1.686 6.599 2.638) 7.304 3.483 ( 4.352 1.101 5.028) 6.740 3.687 ( 6.396 -2.923 -1.276) 7.147 3.829 ( -3.349 -3.925 -2.811) 5.876 3.957 ( -2.525 3.021 -1.680) 4.280 4.157 ( 4.863 5.097 -2.868) 7.606 4.275 ( 2.842 -2.201 -0.114) 3.596 4.362 ( -5.447 -0.864 -2.514) 6.061 4.468 ( 0.345 3.376 3.126) 4.614 4.476 ( 0.770 -2.841 -0.663) 3.017 4.717 ( -4.291 1.008 -4.650) 6.407 4.918 ( -5.524 0.308 -1.801) 5.819 5.171 ( 4.003 5.966 0.798) 7.229 5.314 ( -0.886 -3.710 0.951) 3.931 5.546 ( 5.195 -9.011 -1.114) 10.461 5.682 ( -2.604 5.099 0.881) 5.793 5.793 ( -0.007 1.469 0.007) 1.469 5.858 ( 1.567 -3.796 -0.120) 4.108 6.060 ( 0.334 2.635 -2.779) 3.844 6.528 ( -0.545 -1.674 -5.286) 5.572 6.643 ( 10.072 7.887 1.771) 12.914 6.759 ( 7.891 -4.539 2.471) 9.432 6.935 ( 7.195 1.133 -0.308) 7.290 7.361 ( -2.888 2.524 -0.485) 3.866 7.552 ( -2.096 -3.159 -0.410) 3.813 7.820 ( -2.573 -0.139 -1.249) 2.864 8.011 ( 2.580 2.459 0.936) 3.685 8.335 ( -1.776 0.093 -0.148) 1.785 8.469 ( -3.343 -0.982 -0.330) 3.500 8.689 ( -4.888 -4.514 -3.483) 7.510 8.919 ( -6.367 -1.300 0.544) 6.521 9.156 ( -3.212 0.646 -0.144) 3.279 9.519 ( -2.322 0.797 -3.275) 4.093 9.558 ( -1.799 2.222 -1.272) 3.129 9.671 ( -5.224 -0.825 0.655) 5.330 9.917 ( 1.497 3.865 0.216) 4.150 10.135 ( -2.836 -5.368 0.754) 6.118 10.301 ( -4.621 2.168 -2.190) 5.554 10.567 ( -3.692 -5.289 -4.142) 7.666 10.706 ( 3.409 -2.946 -3.839) 5.919 10.856 ( -6.443 9.755 2.484) 11.952 10.877 ( -6.978 -7.832 8.514) 13.510 12.607 ( 24.525 5.424 0.537) 25.123 13.908 ( -3.638 -1.470 -1.143) 4.087 14.325 ( 2.629 0.381 0.922) 2.812 ======================= Grid point 203 (60/88) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 2.420 11.045 3.141) 11.735 1.719 ( 14.180 8.926 1.774) 16.849 1.824 ( 2.133 8.479 -3.627) 9.466 2.389 ( -5.468 -2.786 1.498) 6.317 2.668 ( -2.097 -0.427 -1.929) 2.881 2.722 ( -5.625 -6.445 2.178) 8.827 2.916 ( -2.265 -10.184 4.414) 11.328 2.975 ( -2.189 -8.899 2.878) 9.606 3.118 ( -2.087 -3.430 7.377) 8.399 3.357 ( -7.109 -7.419 3.014) 10.708 3.416 ( -0.123 -1.143 3.352) 3.544 3.658 ( 4.730 1.050 -2.099) 5.280 3.878 ( 0.815 5.789 0.462) 5.864 4.014 ( -2.333 2.978 -4.879) 6.174 4.117 ( 2.205 -7.100 -2.457) 7.830 4.139 ( -5.757 -2.177 0.507) 6.176 4.305 ( -4.708 -3.129 1.925) 5.972 4.579 ( 6.449 4.714 -1.581) 8.143 4.612 ( 8.362 7.570 0.591) 11.295 4.831 ( 3.806 5.692 -2.634) 7.337 5.044 ( 5.413 3.885 -1.531) 6.836 5.185 ( 2.669 -3.232 1.046) 4.320 5.247 ( -8.096 -0.893 1.421) 8.269 5.356 ( -6.770 1.761 -1.477) 7.150 5.689 ( -5.907 -3.688 0.020) 6.964 5.755 ( 1.477 -3.272 0.628) 3.644 5.830 ( 0.520 -3.883 -1.698) 4.270 6.136 ( 6.399 1.532 -2.052) 6.893 6.379 ( -4.354 -12.141 0.956) 12.934 6.566 ( -9.451 -1.830 0.656) 9.649 6.642 ( 1.797 -1.018 -0.452) 2.114 6.857 ( -1.612 -1.524 -0.085) 2.220 7.421 ( 0.774 1.907 -0.030) 2.058 7.552 ( 0.887 -1.271 -0.299) 1.579 7.883 ( 1.787 4.412 -3.793) 6.086 7.980 ( -0.536 -2.884 -1.930) 3.512 8.368 ( 0.023 2.654 0.467) 2.695 8.535 ( 5.111 -0.386 0.327) 5.136 8.693 ( -2.968 1.801 -3.902) 5.223 9.035 ( 2.992 7.626 0.522) 8.208 9.226 ( 1.813 4.099 0.434) 4.503 9.481 ( -2.561 -1.344 -0.844) 3.013 9.680 ( 0.756 3.774 0.025) 3.849 9.729 ( 6.006 -1.919 -2.682) 6.852 9.933 ( 2.146 -3.683 1.170) 4.421 10.146 ( -2.342 7.708 -3.025) 8.605 10.428 ( 5.846 2.669 -1.164) 6.531 10.572 ( -1.718 4.061 -1.085) 4.541 10.634 ( -2.128 -0.201 -4.234) 4.743 10.882 ( -6.514 9.059 9.874) 14.900 11.066 ( 11.597 -1.935 4.508) 12.592 12.227 ( -10.157 -17.998 -2.779) 20.852 13.966 ( 1.843 3.338 -0.447) 3.840 14.265 ( -2.055 -3.899 0.910) 4.501 ======================= Grid point 204 (61/88) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.485 8.883 0.210) 9.226 1.838 ( -0.323 -4.234 -2.726) 5.046 2.021 ( 2.505 10.704 -0.082) 10.993 2.359 ( 2.660 3.685 2.977) 5.433 2.556 ( -0.222 -4.080 2.006) 4.552 2.640 ( -6.269 -0.666 2.634) 6.832 2.759 ( -1.303 -8.025 1.155) 8.212 2.882 ( -1.046 -4.698 -0.511) 4.840 3.110 ( 1.237 -6.541 9.015) 11.206 3.147 ( -1.116 -5.420 4.783) 7.314 3.414 ( 0.119 -0.384 3.523) 3.546 3.785 ( 6.031 2.064 -5.748) 8.584 3.883 ( -9.572 0.525 -3.651) 10.258 3.952 ( 2.277 2.068 -0.314) 3.092 4.101 ( 2.361 -3.821 -2.690) 5.236 4.125 ( -0.556 2.582 2.358) 3.540 4.217 ( -0.316 -3.866 2.413) 4.568 4.723 ( 1.383 6.795 -1.295) 7.055 4.831 ( 5.699 7.654 -0.095) 9.544 4.923 ( -1.607 4.803 0.482) 5.088 5.036 ( -8.049 -2.066 0.782) 8.346 5.102 ( -5.991 6.138 -0.343) 8.583 5.249 ( 7.847 0.214 -1.935) 8.084 5.393 ( 7.021 -2.108 -0.068) 7.331 5.495 ( -4.656 -10.306 -0.574) 11.323 5.752 ( -1.703 -1.564 -0.587) 2.385 5.782 ( 1.674 -4.583 -0.454) 4.900 6.199 ( -2.571 -7.472 1.298) 8.008 6.271 ( 2.183 2.859 -1.401) 3.860 6.415 ( -3.810 -0.207 -0.542) 3.854 6.655 ( 1.192 -1.805 -0.318) 2.186 6.841 ( -0.604 1.552 0.954) 1.920 7.427 ( -1.899 2.399 0.484) 3.098 7.558 ( 2.828 -4.688 0.151) 5.477 7.928 ( -1.713 1.826 -4.961) 5.557 7.968 ( 2.055 -0.439 -3.787) 4.331 8.391 ( -1.718 4.949 0.382) 5.253 8.623 ( 5.827 -4.116 -0.348) 7.143 8.632 ( -2.554 -1.457 -3.148) 4.308 9.159 ( 1.142 7.199 0.243) 7.294 9.294 ( 0.045 4.699 0.592) 4.736 9.429 ( -0.097 -2.571 -0.651) 2.654 9.650 ( -4.696 3.396 0.635) 5.830 9.821 ( 1.233 0.592 -2.427) 2.786 9.905 ( 2.348 -7.412 2.031) 8.036 10.215 ( 1.090 6.943 -6.840) 9.807 10.463 ( 0.291 -4.841 -5.767) 7.535 10.607 ( -0.935 2.340 -0.853) 2.660 10.697 ( 4.608 9.352 5.324) 11.707 10.831 ( -8.073 7.389 7.934) 13.518 11.200 ( 7.579 -7.691 7.577) 13.191 11.934 ( -5.668 -8.106 -6.402) 11.783 14.038 ( 2.448 2.464 0.366) 3.492 14.183 ( -1.829 -4.309 0.689) 4.732 ======================= Grid point 205 (62/88) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -6.771 -2.886 0.388) 7.371 1.730 ( -2.914 5.793 -1.123) 6.581 2.054 ( -6.715 0.953 -1.529) 6.952 2.415 ( -5.192 -2.897 3.694) 7.000 2.529 ( 7.576 0.153 1.517) 7.728 2.647 ( 5.484 3.279 -0.336) 6.399 2.748 ( 4.798 -1.864 1.519) 5.367 2.858 ( 1.891 0.866 2.529) 3.274 3.051 ( 3.752 -3.479 5.514) 7.522 3.226 ( 9.212 -4.746 7.782) 12.959 3.410 ( -0.158 -0.029 3.632) 3.635 3.733 ( -7.356 1.132 -4.229) 8.561 3.905 ( 4.435 1.208 -5.397) 7.089 4.005 ( 0.489 3.326 -0.175) 3.366 4.077 ( 0.368 -5.690 -3.671) 6.781 4.124 ( -0.666 0.958 2.292) 2.572 4.238 ( 5.047 -2.482 2.668) 6.226 4.691 ( -9.316 3.919 0.163) 10.107 4.791 ( -11.599 2.601 0.531) 11.899 4.930 ( -3.817 2.363 -0.647) 4.535 5.026 ( 1.842 5.026 -0.937) 5.434 5.108 ( -1.787 8.410 -0.167) 8.600 5.270 ( 1.633 -9.289 -0.585) 9.450 5.429 ( 1.631 -7.016 -2.440) 7.605 5.529 ( 13.061 -3.267 1.590) 13.557 5.713 ( 0.048 1.506 -0.153) 1.515 5.786 ( 1.536 -2.327 -0.684) 2.871 6.174 ( 5.248 -0.524 0.413) 5.290 6.213 ( -7.000 3.407 -0.973) 7.846 6.485 ( 6.888 -0.623 -0.547) 6.938 6.649 ( 0.602 -2.185 -0.204) 2.275 6.849 ( -0.427 1.122 0.811) 1.449 7.426 ( -1.134 3.031 0.269) 3.247 7.549 ( 1.695 -4.477 0.551) 4.819 7.918 ( -1.134 1.960 -3.520) 4.185 7.977 ( -0.346 -1.472 -5.193) 5.409 8.403 ( -2.760 4.195 0.566) 5.054 8.555 ( -1.891 -2.202 -1.540) 3.286 8.688 ( 4.389 -3.659 -2.198) 6.122 9.167 ( -5.944 2.074 0.268) 6.302 9.292 ( -3.621 2.105 0.366) 4.204 9.446 ( 3.422 -2.094 -0.310) 4.024 9.654 ( -0.784 8.164 -0.282) 8.206 9.767 ( -3.967 -2.112 0.126) 4.496 9.901 ( 2.154 -3.021 0.063) 3.711 10.261 ( -2.076 -0.410 -7.139) 7.446 10.434 ( 0.764 -0.283 -3.267) 3.367 10.600 ( -1.808 1.724 -0.461) 2.540 10.710 ( -5.762 -0.390 1.283) 5.916 10.909 ( 2.340 10.379 8.243) 13.459 11.132 ( -3.227 -10.470 8.798) 14.051 11.937 ( 9.953 0.586 -6.412) 11.854 14.040 ( -3.290 -0.992 0.360) 3.456 14.181 ( 4.519 -0.429 0.741) 4.599 ======================= Grid point 209 (63/88) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -9.826 9.888 9.188) 16.696 1.127 ( -5.534 9.150 13.445) 17.178 1.434 ( -4.846 8.678 -1.533) 10.057 2.540 ( 3.950 4.524 -2.644) 6.562 2.739 ( -3.063 3.889 -3.821) 6.253 2.878 ( 0.578 1.238 8.501) 8.610 3.113 ( -0.096 -8.469 1.513) 8.603 3.296 ( 3.547 -2.622 5.883) 7.353 3.460 ( 3.107 -0.604 0.439) 3.196 3.523 ( 3.574 -6.801 3.848) 8.593 3.644 ( 0.093 -12.343 2.690) 12.633 3.713 ( 4.210 -2.122 -2.477) 5.326 3.779 ( 1.494 -5.634 0.765) 5.879 3.988 ( 3.542 -3.744 -1.975) 5.519 4.175 ( 1.510 -1.015 0.245) 1.836 4.253 ( 2.099 -4.267 0.386) 4.771 4.397 ( -0.216 2.846 -1.924) 3.442 4.422 ( -5.831 -0.526 -3.431) 6.786 4.608 ( 1.758 0.877 -0.765) 2.108 4.689 ( 1.141 -1.546 -1.947) 2.736 4.804 ( -0.174 5.245 -2.208) 5.694 5.254 ( 3.178 -0.730 1.875) 3.761 5.314 ( -2.452 -1.437 -0.610) 2.906 5.497 ( -1.807 0.420 0.392) 1.896 5.658 ( 2.068 -3.150 1.015) 3.902 5.780 ( 0.952 -0.796 -0.169) 1.253 5.919 ( -0.463 -1.210 -1.449) 1.944 6.110 ( -1.851 3.231 -1.996) 4.225 6.324 ( -3.821 10.554 -8.195) 13.898 6.907 ( 5.069 -6.521 3.317) 8.901 6.993 ( 2.256 -9.340 -1.926) 9.800 7.119 ( 5.316 -10.906 0.370) 12.139 7.309 ( -2.676 1.403 -1.659) 3.447 7.451 ( -0.679 4.627 -0.242) 4.683 7.811 ( 2.607 -4.053 1.810) 5.148 8.125 ( -3.325 -2.077 4.843) 6.231 8.293 ( 1.647 0.835 -1.561) 2.418 8.395 ( -3.658 4.758 0.675) 6.040 8.510 ( -0.372 7.510 -4.645) 8.838 8.785 ( -2.959 6.151 0.985) 6.897 9.127 ( -1.664 2.030 -0.934) 2.787 9.347 ( -3.014 5.593 -2.922) 6.993 9.525 ( -0.287 1.287 -0.143) 1.327 9.608 ( -4.191 4.125 -1.845) 6.163 9.984 ( 0.398 0.692 1.706) 1.884 10.097 ( -3.239 -1.484 0.270) 3.573 10.269 ( -0.909 -0.255 0.384) 1.019 10.355 ( 4.780 7.325 -3.276) 9.340 10.578 ( 0.035 1.067 0.892) 1.392 10.764 ( -0.052 5.579 2.964) 6.318 10.915 ( -8.856 5.192 -2.261) 10.512 13.088 ( 12.045 -21.986 2.559) 25.200 13.853 ( -1.917 3.147 -1.599) 4.017 14.362 ( 0.395 -0.839 0.654) 1.134 ======================= Grid point 213 (64/88) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -1.720 -3.441 -1.535) 4.142 1.753 ( 1.720 3.441 -1.535) 4.142 2.122 ( -0.000 -0.000 -2.178) 2.178 2.379 ( -0.000 -0.000 3.186) 3.186 2.608 ( -0.000 0.000 4.303) 4.303 2.628 ( -1.828 -3.656 0.826) 4.170 2.628 ( 1.828 3.656 0.826) 4.170 2.825 ( -0.000 -0.000 1.560) 1.560 3.052 ( -1.595 -3.190 7.285) 8.112 3.052 ( 1.595 3.190 7.285) 8.112 3.407 ( -0.000 -0.000 2.940) 2.940 3.857 ( -1.336 -2.673 -4.022) 5.011 3.857 ( 1.336 2.673 -4.022) 5.011 3.933 ( -0.000 -0.000 -8.528) 8.528 4.128 ( -2.099 -4.197 3.615) 5.924 4.128 ( 2.099 4.197 3.615) 5.924 4.160 ( -0.000 -0.000 0.265) 0.265 4.887 ( -3.628 -7.255 0.686) 8.141 4.887 ( 3.628 7.255 0.686) 8.141 4.963 ( -2.345 -4.690 0.290) 5.251 4.963 ( 2.345 4.690 0.290) 5.251 5.269 ( 0.000 -0.000 2.587) 2.587 5.278 ( -1.207 -2.414 -1.112) 2.919 5.278 ( 1.207 2.414 -1.112) 2.919 5.344 ( -0.000 -0.000 -4.637) 4.637 5.735 ( -0.644 -1.289 -0.018) 1.441 5.735 ( 0.644 1.289 -0.018) 1.441 6.115 ( -0.000 -0.000 1.021) 1.021 6.360 ( -2.463 -4.925 -1.311) 5.661 6.360 ( 2.463 4.925 -1.311) 5.661 6.631 ( -0.000 -0.000 0.291) 0.291 6.865 ( -0.000 -0.000 1.059) 1.059 7.478 ( -1.320 -2.639 0.326) 2.969 7.478 ( 1.320 2.639 0.326) 2.969 7.954 ( -0.593 -1.186 -4.417) 4.612 7.954 ( 0.593 1.186 -4.417) 4.612 8.516 ( -2.648 -5.296 -0.978) 6.001 8.516 ( 2.648 5.296 -0.978) 6.001 8.609 ( -0.000 -0.000 -1.981) 1.981 9.244 ( -0.000 -0.000 0.303) 0.303 9.368 ( -1.490 -2.979 -0.030) 3.331 9.368 ( 1.490 2.979 -0.030) 3.331 9.760 ( -2.724 -5.447 1.349) 6.238 9.760 ( 2.724 5.447 1.349) 6.238 9.823 ( 0.000 0.000 -1.754) 1.754 10.346 ( -2.624 -5.247 -6.930) 9.080 10.346 ( 2.624 5.247 -6.930) 9.080 10.633 ( -0.000 -0.000 -2.884) 2.884 10.812 ( -0.000 -0.000 8.256) 8.256 11.008 ( -3.976 -7.953 7.963) 11.936 11.008 ( 3.976 7.953 7.963) 11.936 11.850 ( -0.000 -0.000 -7.074) 7.074 14.100 ( -1.614 -3.228 0.673) 3.671 14.100 ( 1.614 3.228 0.673) 3.671 ======================= Grid point 219 (65/88) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -9.897 7.065 9.431) 15.388 1.375 ( -9.753 13.757 6.214) 17.972 1.627 ( -8.730 3.386 -5.338) 10.778 2.507 ( 3.777 0.790 0.798) 3.940 2.712 ( 5.427 1.893 -3.864) 6.926 2.890 ( 3.784 0.092 4.550) 5.919 3.036 ( -1.992 -9.002 3.622) 9.906 3.163 ( 9.778 -3.239 5.132) 11.508 3.329 ( 3.562 -9.045 4.167) 10.577 3.369 ( 5.882 -8.493 2.942) 10.741 3.470 ( 2.708 -0.345 -0.289) 2.745 3.667 ( -1.643 -8.849 2.086) 9.239 3.782 ( -2.617 -0.042 1.093) 2.837 3.982 ( -0.213 4.429 -4.817) 6.548 4.084 ( 4.098 0.065 -0.695) 4.157 4.253 ( -3.719 -2.734 1.581) 4.879 4.435 ( -1.933 0.903 -4.509) 4.988 4.514 ( -3.280 1.273 -1.694) 3.905 4.622 ( 0.281 6.123 -2.746) 6.717 4.650 ( 1.474 0.259 -1.807) 2.346 4.858 ( 0.721 6.039 -0.135) 6.083 5.131 ( 8.397 -1.521 2.175) 8.807 5.346 ( -2.035 -1.064 -0.332) 2.320 5.506 ( -6.096 -9.734 0.400) 11.492 5.643 ( 1.621 4.310 1.764) 4.931 5.768 ( -0.202 -0.038 0.253) 0.326 5.943 ( -3.625 -2.107 -2.310) 4.787 6.113 ( 3.137 -0.245 -4.052) 5.131 6.420 ( 1.026 1.433 -0.762) 1.920 6.672 ( 12.396 -4.327 1.571) 13.223 6.868 ( 2.987 -6.796 -3.286) 8.119 6.947 ( 1.000 -9.231 -0.438) 9.296 7.348 ( 0.836 3.196 0.016) 3.304 7.542 ( -4.976 0.706 -1.335) 5.201 7.794 ( -1.064 2.951 -0.452) 3.170 8.095 ( 3.040 -3.042 -0.786) 4.372 8.312 ( -2.216 2.396 1.002) 3.414 8.510 ( -3.663 3.085 -0.882) 4.869 8.607 ( -4.042 3.303 -2.343) 5.721 8.907 ( -3.612 5.901 0.967) 6.986 9.171 ( 0.073 3.849 -0.577) 3.893 9.423 ( -2.130 0.926 -0.579) 2.394 9.545 ( -0.602 0.868 -0.325) 1.105 9.740 ( -5.726 2.282 -1.986) 6.476 9.946 ( 4.017 1.195 -0.703) 4.249 10.147 ( -4.110 -5.666 0.397) 7.011 10.266 ( -0.191 1.801 2.588) 3.159 10.383 ( -0.613 3.884 2.169) 4.491 10.592 ( 0.387 3.085 -1.682) 3.535 10.824 ( 1.161 7.843 2.317) 8.260 11.132 ( -10.153 3.565 -0.341) 10.766 12.613 ( 16.597 -19.446 0.307) 25.567 13.930 ( -3.028 3.246 -1.888) 4.824 14.335 ( 1.386 -1.750 0.592) 2.310 ======================= Grid point 220 (66/88) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -6.610 9.755 6.884) 13.647 1.345 ( -5.920 12.929 8.912) 16.782 1.679 ( 0.591 13.210 -4.704) 14.035 2.540 ( 2.503 -5.748 1.539) 6.455 2.794 ( -0.224 2.147 -7.927) 8.216 2.900 ( 1.005 -5.997 2.133) 6.444 2.968 ( -0.102 -0.761 6.977) 7.019 3.244 ( 2.342 -13.014 1.953) 13.367 3.268 ( 3.584 -0.305 7.893) 8.674 3.344 ( 3.130 -13.275 3.000) 13.965 3.480 ( 0.891 -6.274 3.833) 7.406 3.634 ( 4.879 -0.222 -2.477) 5.477 3.759 ( 0.105 0.424 1.122) 1.204 4.002 ( -3.259 4.210 -3.961) 6.636 4.140 ( 5.091 -5.745 1.826) 7.891 4.178 ( -2.424 0.913 0.326) 2.611 4.423 ( 0.404 0.021 -3.601) 3.624 4.443 ( -5.662 2.538 -1.912) 6.493 4.651 ( -2.932 2.867 -0.786) 4.176 4.689 ( 0.453 2.179 -2.477) 3.330 4.921 ( -1.786 5.419 -2.156) 6.100 5.203 ( -4.178 -6.658 0.628) 7.886 5.291 ( 3.277 0.731 0.532) 3.400 5.398 ( 5.941 -4.659 1.334) 7.666 5.676 ( 0.885 0.942 0.679) 1.460 5.789 ( -1.072 1.608 -0.868) 2.119 5.900 ( 1.586 -1.003 -1.309) 2.288 6.164 ( -0.864 2.065 -1.922) 2.950 6.439 ( 1.352 0.060 -1.493) 2.015 6.696 ( -2.250 -12.161 -1.905) 12.513 6.869 ( 8.282 -8.672 -1.154) 12.047 6.889 ( 0.696 -4.767 1.423) 5.024 7.332 ( -4.241 0.584 -0.749) 4.346 7.546 ( 2.553 4.360 -0.518) 5.078 7.787 ( -1.918 1.317 -0.767) 2.450 8.069 ( -2.393 -2.645 0.850) 3.666 8.333 ( 1.712 2.586 -0.782) 3.198 8.485 ( -3.130 3.827 1.804) 5.263 8.664 ( 3.239 6.686 -5.090) 9.006 8.899 ( -3.185 5.212 0.611) 6.139 9.171 ( -3.060 2.314 -0.775) 3.914 9.427 ( 0.352 1.673 -0.551) 1.796 9.587 ( 1.651 5.019 -0.031) 5.284 9.665 ( -4.162 1.070 -0.862) 4.383 9.967 ( -5.128 -2.994 -0.232) 5.943 10.065 ( 4.250 -0.228 1.143) 4.407 10.296 ( -0.129 2.020 0.615) 2.116 10.476 ( 6.915 2.799 1.338) 7.579 10.638 ( -0.964 6.365 -4.308) 7.746 10.920 ( -1.692 8.353 4.809) 9.785 10.983 ( -7.738 1.896 -0.616) 7.990 12.606 ( 7.780 -23.932 0.691) 25.174 13.928 ( -1.457 4.155 -1.784) 4.751 14.333 ( 0.630 -2.232 0.657) 2.410 ======================= Grid point 229 (67/88) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -9.841 5.746 5.780) 12.778 1.618 ( -0.488 10.975 1.330) 11.066 1.834 ( -11.564 1.314 -1.620) 11.751 2.420 ( 3.107 -2.762 1.996) 4.611 2.663 ( 4.085 4.067 -3.790) 6.898 2.749 ( 6.187 -2.533 2.213) 7.042 2.927 ( 7.833 -7.178 3.067) 11.058 2.970 ( 2.900 -6.809 -0.715) 7.435 3.173 ( 2.260 -8.878 5.035) 10.454 3.252 ( -0.743 -3.724 8.450) 9.264 3.469 ( 0.459 -1.505 1.675) 2.297 3.641 ( -2.597 -2.184 -0.764) 3.479 3.808 ( -0.310 -1.515 2.880) 3.269 3.950 ( 0.908 -0.233 0.213) 0.962 4.157 ( -1.503 7.888 -6.197) 10.143 4.250 ( 0.814 -3.436 -0.678) 3.596 4.469 ( -1.881 -1.321 -2.495) 3.392 4.584 ( -2.064 3.982 -0.810) 4.558 4.661 ( -0.605 3.806 -1.428) 4.110 4.713 ( -0.158 9.016 -3.816) 9.792 4.896 ( 0.248 3.402 1.973) 3.941 4.978 ( 7.561 1.106 1.699) 7.828 5.380 ( -4.593 -1.367 -0.473) 4.816 5.519 ( -4.138 -8.903 0.612) 9.837 5.654 ( 1.340 3.788 1.130) 4.174 5.785 ( -2.828 -2.445 0.653) 3.795 5.892 ( 4.497 -10.758 -2.215) 11.869 6.098 ( -1.918 4.680 -3.123) 5.945 6.284 ( 7.047 -4.466 0.477) 8.357 6.527 ( 4.309 -0.458 1.169) 4.488 6.758 ( 3.923 -1.299 -1.718) 4.475 6.878 ( -1.214 -5.930 -1.035) 6.141 7.355 ( 1.646 2.643 1.469) 3.443 7.606 ( -3.421 -2.232 -0.033) 4.084 7.877 ( -2.384 4.504 -3.432) 6.144 8.012 ( 3.617 -0.472 -4.841) 6.061 8.374 ( -2.164 1.079 1.340) 2.765 8.572 ( -1.792 -0.018 -3.791) 4.193 8.708 ( -5.239 -0.268 0.187) 5.249 9.020 ( -1.321 6.730 0.778) 6.903 9.208 ( 0.553 4.653 0.152) 4.688 9.442 ( 0.002 -1.111 0.339) 1.162 9.561 ( -0.476 0.501 -0.482) 0.842 9.796 ( 1.277 0.481 -2.301) 2.675 9.942 ( -3.753 0.236 -0.716) 3.828 10.089 ( 3.400 -4.550 2.446) 6.184 10.329 ( -5.728 -2.819 2.833) 6.985 10.426 ( -1.533 -0.385 4.534) 4.802 10.654 ( -0.591 10.022 -2.657) 10.385 10.876 ( 2.462 7.968 1.357) 8.449 11.334 ( -9.324 1.327 2.554) 9.758 12.146 ( 15.313 -14.280 -3.679) 21.259 14.021 ( -3.593 2.771 -1.094) 4.667 14.275 ( 2.570 -2.792 0.267) 3.804 ======================= Grid point 230 (68/88) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -8.108 8.278 5.755) 12.938 1.647 ( -12.290 8.876 2.570) 15.376 1.771 ( 2.361 12.037 -1.651) 12.377 2.431 ( 2.080 -5.388 1.318) 5.924 2.772 ( 3.690 1.463 -6.261) 7.413 2.816 ( 0.618 -8.880 0.154) 8.903 2.875 ( 7.757 -3.574 4.735) 9.766 3.063 ( 4.799 -9.852 3.063) 11.379 3.116 ( 4.197 -9.270 3.835) 10.875 3.201 ( 3.523 -5.355 6.027) 8.798 3.428 ( -2.042 -3.359 6.339) 7.459 3.617 ( -0.189 3.680 -3.613) 5.161 3.791 ( -1.522 -0.138 2.962) 3.333 3.970 ( 4.781 -4.036 0.602) 6.286 4.162 ( -5.315 4.679 -4.819) 8.565 4.231 ( -1.072 1.653 -0.122) 1.974 4.419 ( -0.765 -2.080 -4.623) 5.127 4.572 ( -5.071 4.658 -0.971) 6.953 4.716 ( -0.575 6.235 -2.331) 6.681 4.759 ( -3.048 6.902 -0.100) 7.545 4.990 ( 1.891 5.808 -0.589) 6.136 5.165 ( 8.518 4.581 2.167) 9.911 5.276 ( -6.043 -11.814 1.305) 13.334 5.297 ( -2.935 -3.162 -0.455) 4.338 5.658 ( 0.161 -2.519 0.507) 2.575 5.786 ( 2.668 0.153 0.352) 2.695 5.848 ( 1.102 -6.527 -2.649) 7.129 6.152 ( 2.983 4.222 -2.457) 5.724 6.374 ( 5.778 -5.407 1.116) 7.991 6.553 ( 2.200 -7.550 1.254) 7.963 6.747 ( -0.123 -3.847 -4.301) 5.772 6.831 ( 1.080 -2.403 1.371) 2.970 7.399 ( -1.337 1.568 0.176) 2.068 7.543 ( 0.175 -0.107 -0.358) 0.412 7.868 ( -3.550 3.857 -3.491) 6.298 8.054 ( 1.381 -1.146 -3.961) 4.349 8.357 ( -1.736 2.024 0.958) 2.833 8.556 ( -1.043 1.101 1.707) 2.284 8.666 ( 0.971 2.398 -5.050) 5.674 9.035 ( -4.684 6.580 0.447) 8.089 9.243 ( -1.694 3.102 -0.083) 3.535 9.431 ( -0.173 -1.001 0.752) 1.264 9.610 ( 2.241 5.651 0.211) 6.083 9.738 ( -4.827 -2.362 -0.559) 5.403 9.968 ( 5.029 -0.996 0.407) 5.143 10.042 ( -5.110 -2.598 0.019) 5.732 10.278 ( 2.395 -0.300 2.294) 3.329 10.423 ( 1.158 0.581 3.798) 4.013 10.743 ( -1.355 10.116 -4.346) 11.093 11.011 ( 2.319 9.878 4.755) 11.206 11.150 ( -10.869 -1.740 0.349) 11.013 12.216 ( 10.933 -18.395 -2.342) 21.526 14.000 ( -2.186 3.601 -1.452) 4.455 14.282 ( 1.826 -3.426 0.391) 3.902 ======================= Grid point 231 (69/88) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -3.229 11.513 3.017) 12.332 1.614 ( -4.164 11.792 5.563) 13.688 1.897 ( 0.458 6.031 -2.983) 6.744 2.397 ( 0.562 -4.331 1.329) 4.566 2.736 ( -0.587 -7.756 -0.976) 7.840 2.788 ( 0.995 -4.744 0.133) 4.849 2.883 ( -0.017 -4.759 1.164) 4.899 3.047 ( 2.561 -14.204 0.614) 14.446 3.131 ( 5.979 -0.597 1.017) 6.094 3.270 ( 5.134 -0.345 9.892) 11.150 3.373 ( 1.502 -1.859 5.752) 6.229 3.674 ( 1.122 1.844 -2.768) 3.510 3.770 ( 0.451 0.712 2.113) 2.275 4.031 ( 2.586 -4.040 1.957) 5.180 4.099 ( -2.255 3.943 -4.345) 6.286 4.219 ( -4.158 2.249 -1.085) 4.850 4.424 ( 2.536 0.854 -3.229) 4.194 4.522 ( -4.785 4.960 -1.077) 6.976 4.704 ( -6.361 2.399 -0.614) 6.826 4.769 ( -3.543 4.107 -1.633) 5.664 4.992 ( -3.334 0.343 -0.093) 3.353 5.011 ( -5.263 -9.473 0.561) 10.851 5.329 ( 4.464 3.002 -1.340) 5.544 5.405 ( 9.290 4.665 1.872) 10.563 5.679 ( 3.211 -0.991 -0.478) 3.394 5.765 ( -0.625 -3.792 -1.818) 4.251 5.874 ( 4.848 -1.994 0.138) 5.244 6.196 ( -4.865 0.164 0.140) 4.870 6.373 ( 1.531 -2.523 0.908) 3.088 6.462 ( 1.032 -10.711 -1.834) 10.916 6.726 ( 0.945 -3.184 -2.542) 4.182 6.863 ( 3.197 -0.417 1.027) 3.384 7.338 ( -3.808 0.289 0.873) 3.918 7.614 ( 4.093 2.029 0.165) 4.572 7.840 ( -3.380 3.297 -2.722) 5.451 8.026 ( -2.292 -1.674 -3.925) 4.844 8.381 ( 2.018 1.897 -0.315) 2.788 8.549 ( -1.210 2.415 0.341) 2.723 8.761 ( 4.498 2.662 -3.424) 6.248 9.001 ( -4.920 4.641 0.338) 6.772 9.217 ( -3.679 2.004 -0.222) 4.196 9.429 ( 1.484 -0.857 -0.387) 1.757 9.637 ( -2.917 -2.585 -0.456) 3.924 9.712 ( 1.150 5.261 0.328) 5.396 9.913 ( -4.324 -0.791 1.074) 4.525 10.064 ( 5.890 -0.738 1.304) 6.077 10.335 ( 1.607 1.797 -0.236) 2.423 10.483 ( 5.845 -1.114 3.689) 7.001 10.795 ( -3.076 6.994 -4.103) 8.673 10.931 ( -9.876 -4.456 -0.932) 10.875 11.156 ( 1.213 12.470 7.201) 14.451 12.159 ( 4.670 -18.856 -3.327) 19.709 14.019 ( -0.625 4.628 -1.040) 4.785 14.271 ( 0.947 -3.606 0.392) 3.749 ======================= Grid point 237 (70/88) ======================= q-point: (-0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 7.450 1.237 1.235) 7.652 1.700 ( -5.533 0.121 3.649) 6.629 1.939 ( 1.804 2.049 -1.392) 3.064 2.395 ( 1.242 1.503 4.056) 4.500 2.621 ( 0.564 2.295 -3.903) 4.563 2.732 ( -1.374 1.141 4.275) 4.633 2.824 ( -5.443 -2.946 -1.063) 6.279 2.848 ( 0.669 -3.462 -1.303) 3.759 3.125 ( -2.099 -3.234 4.434) 5.875 3.255 ( -4.272 -5.874 10.449) 12.725 3.407 ( 2.701 -2.714 2.441) 4.541 3.677 ( -1.095 0.630 -2.484) 2.787 3.787 ( -0.221 -2.109 1.853) 2.816 3.972 ( -2.389 -0.066 1.529) 2.838 4.167 ( 3.227 -0.848 -3.441) 4.794 4.235 ( 1.800 4.815 -4.180) 6.626 4.459 ( -0.601 -4.645 -2.384) 5.255 4.611 ( 4.253 2.743 -0.524) 5.088 4.740 ( 3.893 7.431 0.492) 8.403 4.767 ( 0.217 9.549 -1.421) 9.656 4.897 ( 2.535 2.253 1.181) 3.591 4.956 ( -2.700 2.642 -0.196) 3.783 5.434 ( 2.237 -8.130 -0.138) 8.433 5.482 ( -5.808 -4.792 -0.367) 7.539 5.628 ( 2.655 -1.206 0.067) 2.917 5.742 ( -2.060 -5.374 -0.402) 5.769 5.822 ( -3.816 -2.605 -0.223) 4.626 6.162 ( 2.591 7.230 -0.051) 7.681 6.270 ( -8.657 -0.562 -1.094) 8.744 6.426 ( 4.933 -2.317 -0.040) 5.450 6.709 ( 1.270 0.398 -1.505) 2.009 6.859 ( -1.646 -3.193 0.188) 3.598 7.347 ( 2.026 2.446 1.696) 3.600 7.629 ( -2.390 -3.381 0.595) 4.183 7.903 ( 3.523 1.574 -2.632) 4.671 7.992 ( -0.212 2.734 -7.334) 7.830 8.401 ( -0.789 -1.108 0.394) 1.416 8.580 ( 0.151 -0.971 -2.247) 2.453 8.772 ( -3.549 -3.125 -1.059) 4.846 9.064 ( 3.807 5.200 0.487) 6.463 9.236 ( 1.802 4.030 0.179) 4.418 9.420 ( -0.501 -2.074 0.157) 2.139 9.583 ( -1.140 1.806 -0.533) 2.201 9.774 ( 2.414 1.989 -1.742) 3.580 9.968 ( 3.562 -4.621 4.223) 7.202 10.023 ( -4.590 -1.622 -0.708) 4.919 10.364 ( -2.103 -4.659 0.859) 5.184 10.449 ( -2.972 -1.553 4.292) 5.447 10.800 ( -1.925 12.111 -0.575) 12.277 10.883 ( 4.610 4.783 -0.499) 6.662 11.394 ( 4.067 -6.337 6.986) 10.272 11.910 ( -2.960 -1.449 -7.690) 8.366 14.084 ( 0.125 0.223 -0.228) 0.343 14.218 ( -0.412 -1.141 -0.182) 1.227 ======================= Grid point 239 (71/88) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -7.352 6.037 3.201) 10.037 1.725 ( 5.013 0.213 -1.942) 5.380 1.952 ( -4.460 7.369 1.832) 8.806 2.419 ( -1.968 4.297 3.483) 5.871 2.681 ( 4.365 -5.057 -3.689) 7.631 2.715 ( 3.119 -4.765 1.712) 5.947 2.743 ( 0.073 0.855 -3.369) 3.477 2.872 ( 5.641 -7.538 5.454) 10.880 3.037 ( -1.345 -3.986 4.502) 6.161 3.097 ( -2.059 -9.104 6.973) 11.651 3.447 ( 0.262 1.217 8.373) 8.465 3.668 ( -1.087 2.466 -7.530) 7.997 3.778 ( 1.311 -1.027 1.642) 2.338 3.896 ( -1.592 -5.597 1.971) 6.143 4.235 ( 2.062 3.237 -2.899) 4.810 4.274 ( -2.022 2.754 -4.308) 5.498 4.396 ( -0.335 -4.194 -3.757) 5.641 4.710 ( -1.294 8.145 -0.363) 8.256 4.830 ( -1.819 9.630 -0.213) 9.803 4.898 ( -3.363 6.576 -0.073) 7.386 4.957 ( 5.983 3.505 0.821) 6.982 5.055 ( 8.543 6.279 1.275) 10.678 5.287 ( -7.389 -8.140 -0.663) 11.013 5.345 ( -4.473 -6.077 0.690) 7.577 5.584 ( 0.901 -12.610 -0.372) 12.648 5.713 ( 3.091 0.450 0.511) 3.166 5.774 ( -0.294 -2.815 -0.958) 2.988 6.165 ( -0.364 -1.525 -0.308) 1.598 6.257 ( 1.145 4.557 -1.352) 4.889 6.464 ( 2.820 -4.884 -0.026) 5.640 6.721 ( 0.043 -1.879 -2.935) 3.486 6.809 ( -0.348 -1.125 2.595) 2.850 7.413 ( 1.750 2.988 0.698) 3.533 7.544 ( -2.352 -3.485 0.118) 4.206 7.957 ( -1.164 3.222 -4.913) 5.989 8.018 ( 1.589 0.510 -6.917) 7.115 8.405 ( -0.161 2.362 1.028) 2.581 8.552 ( -0.628 -2.365 -0.742) 2.557 8.686 ( -2.045 -1.354 -2.718) 3.661 9.164 ( -0.795 6.803 0.274) 6.855 9.292 ( -0.324 3.275 0.453) 3.322 9.404 ( 0.988 -2.675 1.144) 3.073 9.619 ( 2.153 4.969 0.371) 5.428 9.801 ( -4.089 -0.686 -0.525) 4.179 9.872 ( 1.731 -5.857 2.251) 6.509 10.071 ( 1.952 2.567 -0.431) 3.253 10.250 ( -2.606 -4.522 1.671) 5.480 10.423 ( -0.311 0.008 4.307) 4.319 10.889 ( -2.293 11.616 -1.397) 11.922 11.030 ( 5.284 6.572 2.152) 8.703 11.297 ( -7.343 -4.888 3.361) 9.439 11.898 ( 6.422 -9.148 -5.904) 12.641 14.074 ( -2.245 2.620 -0.681) 3.517 14.207 ( 1.841 -3.704 -0.042) 4.137 ======================= Grid point 240 (72/88) ======================= q-point: (-0.22 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -4.910 9.404 1.470) 10.710 1.728 ( -1.717 -1.523 1.024) 2.513 1.971 ( -2.652 4.985 0.453) 5.665 2.418 ( -2.784 4.518 2.534) 5.880 2.665 ( 2.172 -4.432 -1.457) 5.146 2.725 ( -0.246 -5.291 -1.069) 5.404 2.801 ( 4.444 -2.104 4.415) 6.608 2.833 ( 3.642 -9.299 -1.032) 10.040 3.027 ( 4.850 -0.363 2.624) 5.526 3.114 ( 8.218 -3.399 8.519) 12.316 3.425 ( -3.762 1.866 9.165) 10.082 3.683 ( -0.311 1.489 -8.711) 8.843 3.772 ( -0.564 -1.194 2.791) 3.087 3.896 ( 6.456 -1.891 1.543) 6.902 4.221 ( -5.422 1.374 -3.758) 6.739 4.290 ( -0.744 2.280 -2.409) 3.399 4.378 ( 2.347 -1.143 -4.370) 5.091 4.691 ( -7.924 5.843 -0.177) 9.847 4.844 ( -5.473 4.659 -0.641) 7.216 4.896 ( -2.936 5.938 1.432) 6.777 5.034 ( -7.785 -10.407 0.426) 13.004 5.051 ( -4.318 -1.133 0.691) 4.517 5.261 ( 5.835 2.470 -2.201) 6.708 5.312 ( 7.789 6.387 2.524) 10.384 5.550 ( 6.870 -6.769 -1.574) 9.772 5.737 ( -0.451 -2.740 -0.368) 2.802 5.769 ( 3.747 -1.351 0.116) 3.985 6.197 ( 4.273 -2.997 0.900) 5.297 6.309 ( 0.656 1.382 -2.105) 2.602 6.408 ( -2.185 -4.308 -0.215) 4.835 6.711 ( 0.316 -0.238 -2.569) 2.599 6.810 ( 1.404 -0.285 2.386) 2.783 7.412 ( -3.773 0.075 0.601) 3.822 7.546 ( 4.449 0.215 0.169) 4.457 7.940 ( -3.652 2.942 -5.205) 7.006 8.033 ( -0.169 -1.264 -6.339) 6.466 8.396 ( -2.162 1.678 0.296) 2.753 8.557 ( 2.069 -0.696 1.090) 2.440 8.695 ( 3.418 0.382 -3.977) 5.258 9.158 ( -6.099 4.412 0.148) 7.529 9.299 ( -2.647 2.098 0.619) 3.434 9.391 ( 1.253 -1.978 0.566) 2.408 9.664 ( -4.295 -3.607 0.065) 5.609 9.746 ( 2.096 6.505 1.155) 6.931 9.894 ( 4.339 -4.350 2.195) 6.524 10.049 ( -4.538 1.303 -0.767) 4.784 10.264 ( 5.769 -0.904 1.064) 5.936 10.427 ( 0.781 -0.078 4.059) 4.135 10.932 ( -4.124 6.997 -1.139) 8.201 11.052 ( -9.592 -6.050 0.514) 11.352 11.227 ( 4.162 9.190 4.707) 11.132 11.909 ( 5.676 -10.258 -5.631) 13.006 14.074 ( -1.182 3.299 -0.691) 3.572 14.206 ( 2.166 -3.399 -0.006) 4.030 ======================= Grid point 249 (73/88) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -1.392 -2.785 0.124) 3.116 1.696 ( 1.392 2.785 0.124) 3.116 2.030 ( 0.000 0.000 1.117) 1.117 2.496 ( 0.000 0.000 2.687) 2.687 2.619 ( -0.000 -0.000 -0.294) 0.294 2.712 ( -0.943 -1.885 -0.836) 2.268 2.712 ( 0.943 1.885 -0.836) 2.268 2.768 ( 0.000 0.000 2.598) 2.598 2.989 ( -0.367 -0.734 6.617) 6.668 2.989 ( 0.367 0.734 6.617) 6.668 3.476 ( 0.000 0.000 11.471) 11.471 3.700 ( 0.000 0.000 -11.531) 11.531 3.791 ( -1.378 -2.755 1.274) 3.333 3.791 ( 1.378 2.755 1.274) 3.333 4.294 ( -0.000 0.000 -3.054) 3.054 4.318 ( -1.451 -2.901 -3.590) 4.838 4.318 ( 1.451 2.901 -3.590) 4.838 4.881 ( -3.018 -6.037 1.108) 6.839 4.881 ( 3.018 6.037 1.108) 6.839 4.975 ( -2.205 -4.410 -0.321) 4.941 4.975 ( 2.205 4.410 -0.321) 4.941 5.208 ( 0.000 0.000 1.453) 1.453 5.229 ( -1.160 -2.319 0.439) 2.630 5.229 ( 1.160 2.319 0.439) 2.630 5.375 ( 0.000 0.000 -2.472) 2.472 5.730 ( -0.476 -0.953 0.194) 1.083 5.730 ( 0.476 0.953 0.194) 1.083 6.127 ( 0.000 0.000 0.522) 0.522 6.366 ( -1.884 -3.769 -1.544) 4.488 6.366 ( 1.884 3.769 -1.544) 4.488 6.702 ( 0.000 0.000 -2.751) 2.751 6.801 ( 0.000 0.000 3.893) 3.893 7.475 ( -1.408 -2.816 0.263) 3.160 7.475 ( 1.408 2.816 0.263) 3.160 8.009 ( -0.834 -1.667 -6.810) 7.061 8.009 ( 0.834 1.667 -6.810) 7.061 8.477 ( -2.012 -4.024 0.764) 4.563 8.477 ( 2.012 4.024 0.764) 4.563 8.670 ( 0.000 0.000 -3.729) 3.729 9.252 ( 0.000 0.000 -0.199) 0.199 9.346 ( -1.011 -2.022 0.864) 2.420 9.346 ( 1.011 2.022 0.864) 2.420 9.731 ( -2.126 -4.252 2.471) 5.358 9.731 ( 2.126 4.252 2.471) 5.358 9.808 ( 0.000 0.000 -1.036) 1.036 10.152 ( -2.256 -4.511 0.221) 5.049 10.152 ( 2.256 4.511 0.221) 5.049 10.423 ( 0.000 0.000 4.364) 4.364 11.031 ( 0.000 0.000 1.656) 1.656 11.164 ( -3.028 -6.057 1.712) 6.985 11.164 ( 3.028 6.057 1.712) 6.985 11.800 ( 0.000 0.000 -6.528) 6.528 14.134 ( -1.473 -2.946 -0.334) 3.310 14.134 ( 1.473 2.946 -0.334) 3.310 ======================= Grid point 273 (74/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 -0.000 0.000) 0.000 1.579 ( -0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.404 ( -0.000 -0.000 0.000) 0.000 3.142 ( -0.000 0.000 0.000) 0.000 3.237 ( -0.000 -0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.415 ( -0.000 -0.000 0.000) 0.000 3.445 ( -0.000 0.000 -0.000) 0.000 3.985 ( 0.000 -0.000 0.000) 0.000 3.985 ( -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 4.176 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 -0.000 0.000) 0.000 4.370 ( -0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 -0.000 0.000) 0.000 4.748 ( 0.000 -0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 -0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.799 ( -0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 -0.000 0.000) 0.000 5.989 ( 0.000 -0.000 0.000) 0.000 5.989 ( 0.000 -0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 -0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 8.137 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 -0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 -0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 -0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 -0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.741 ( 0.000 0.000 0.000) 0.000 10.741 ( 0.000 -0.000 0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 -0.000 0.000) 0.000 14.386 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 275 (75/88) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 6.815 3.526 -0.838) 7.719 1.045 ( 14.798 8.856 0.598) 17.256 1.479 ( -5.792 -3.282 -0.821) 6.708 2.420 ( 1.327 0.802 3.146) 3.508 2.566 ( 10.844 6.207 -2.050) 12.662 3.119 ( -6.621 -4.501 7.198) 10.766 3.149 ( -0.944 0.201 -8.297) 8.353 3.416 ( -1.440 -1.185 -0.046) 1.865 3.450 ( 0.455 1.095 3.006) 3.232 3.466 ( 3.765 1.609 -1.870) 4.501 3.839 ( -11.277 -6.957 2.383) 13.463 3.861 ( -10.328 -4.492 -2.028) 11.444 3.998 ( -1.849 -8.183 -3.573) 9.118 4.020 ( -9.280 0.800 1.889) 9.504 4.213 ( -0.697 -3.964 1.938) 4.467 4.252 ( -0.283 4.899 -0.204) 4.912 4.348 ( 5.293 0.571 -1.757) 5.606 4.394 ( 0.848 1.500 0.842) 1.917 4.595 ( -7.112 -4.256 0.372) 8.297 4.687 ( -2.400 -0.499 -1.241) 2.747 4.741 ( 2.571 0.669 1.136) 2.890 5.286 ( 1.138 0.702 -0.582) 1.458 5.307 ( -0.935 -0.534 0.165) 1.090 5.436 ( 6.429 3.604 0.432) 7.383 5.748 ( -3.912 -2.425 -0.405) 4.620 5.790 ( -1.407 -0.306 0.131) 1.446 5.940 ( 0.821 -3.723 0.067) 3.813 5.989 ( 5.420 9.459 -0.866) 10.936 6.048 ( 7.765 2.088 1.026) 8.106 7.060 ( -6.941 -4.909 0.622) 8.524 7.118 ( -8.155 -3.594 -1.135) 8.983 7.252 ( 1.036 0.762 0.099) 1.290 7.287 ( -5.607 -3.514 -0.865) 6.674 7.394 ( 3.584 2.020 0.904) 4.212 7.973 ( -11.165 -7.045 0.374) 13.207 8.190 ( 1.045 1.227 -2.460) 2.941 8.265 ( 5.210 3.787 -0.163) 6.443 8.290 ( -1.877 -1.442 1.719) 2.925 8.375 ( 6.297 3.168 0.497) 7.067 8.672 ( 9.441 5.363 0.479) 10.869 9.082 ( 0.676 0.163 -0.081) 0.700 9.187 ( 8.737 5.387 -0.257) 10.267 9.516 ( 1.618 0.637 -0.356) 1.775 9.520 ( 1.291 0.965 0.354) 1.651 10.036 ( -2.761 -0.823 0.437) 2.914 10.076 ( 2.151 0.149 -1.326) 2.532 10.221 ( -0.104 0.766 0.216) 0.803 10.284 ( 4.242 1.915 1.335) 4.842 10.566 ( 5.857 3.341 0.285) 6.749 10.739 ( -0.421 0.161 1.018) 1.113 10.777 ( 3.903 1.924 -1.674) 4.662 13.442 ( -15.372 -8.871 -0.106) 17.748 13.797 ( 1.496 0.860 0.007) 1.726 14.379 ( -0.474 -0.274 -0.012) 0.547 ======================= Grid point 277 (76/88) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 10.474 3.316 -1.898) 11.149 1.406 ( 6.718 2.315 7.461) 10.303 1.435 ( 9.589 9.593 -8.974) 16.264 2.463 ( 2.036 1.149 5.441) 5.922 2.738 ( -0.706 -0.352 -0.360) 0.868 2.966 ( -1.722 -2.968 2.821) 4.442 3.130 ( -3.356 0.427 -6.939) 7.720 3.352 ( -8.040 -3.362 3.979) 9.581 3.415 ( 1.376 -2.033 0.129) 2.458 3.527 ( -3.141 -0.257 -1.422) 3.458 3.574 ( -12.423 -3.406 -2.747) 13.171 3.670 ( 0.645 -5.021 3.332) 6.061 3.825 ( -3.645 -3.874 -3.136) 6.175 3.945 ( -3.285 -0.015 1.405) 3.573 4.130 ( -4.574 -1.715 0.933) 4.974 4.317 ( 1.993 3.844 -2.124) 4.823 4.347 ( -1.424 -2.660 -2.066) 3.657 4.448 ( 3.676 -1.563 -0.910) 4.097 4.516 ( -1.105 1.331 3.774) 4.151 4.634 ( -2.096 0.235 -1.062) 2.361 4.807 ( 3.159 2.064 1.527) 4.071 5.234 ( -6.123 -2.074 0.234) 6.469 5.323 ( 1.858 -0.202 -0.335) 1.898 5.547 ( 4.281 -3.048 0.954) 5.341 5.659 ( -2.737 1.734 -0.910) 3.366 5.768 ( -0.384 -0.301 -0.230) 0.539 5.921 ( 1.187 -0.737 -0.336) 1.437 6.074 ( -0.550 4.577 -1.485) 4.843 6.312 ( 10.832 4.291 2.375) 11.891 6.792 ( -13.006 -9.344 0.666) 16.029 6.971 ( -7.238 -0.939 -1.608) 7.474 7.087 ( -9.439 -5.899 -1.288) 11.205 7.288 ( 2.199 0.210 -0.160) 2.215 7.502 ( 5.240 2.948 1.090) 6.110 7.795 ( -3.029 -3.196 0.715) 4.461 8.141 ( -6.298 -2.021 -4.341) 7.912 8.283 ( 3.358 1.847 2.213) 4.426 8.416 ( 4.093 4.053 -0.778) 5.813 8.547 ( 8.575 3.366 2.371) 9.513 8.828 ( 5.274 2.273 0.646) 5.779 9.104 ( 1.491 0.369 0.158) 1.544 9.384 ( 4.762 4.133 -0.600) 6.334 9.555 ( 0.711 2.446 0.774) 2.662 9.596 ( 6.883 1.437 -1.625) 7.216 9.953 ( -4.713 -1.428 -0.450) 4.944 10.147 ( 5.699 -0.968 -1.857) 6.071 10.242 ( -0.666 3.930 -0.098) 3.987 10.394 ( 5.937 2.105 5.128) 8.122 10.673 ( 4.038 -0.364 0.777) 4.128 10.721 ( -2.802 1.625 3.112) 4.492 10.949 ( 10.369 5.487 -4.853) 12.695 12.972 ( -23.104 -13.281 -0.414) 26.653 13.852 ( 3.181 1.799 -0.028) 3.655 14.363 ( -1.044 -0.604 -0.081) 1.209 ======================= Grid point 279 (77/88) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 11.664 1.265 -2.033) 11.907 1.541 ( 6.911 7.182 -0.310) 9.972 1.754 ( 10.299 8.032 -1.015) 13.100 2.462 ( -2.390 -3.975 3.528) 5.828 2.645 ( -3.008 1.050 2.224) 3.886 2.900 ( -4.919 -4.599 3.453) 7.568 2.957 ( -10.866 -6.468 -3.970) 13.254 3.189 ( -11.347 1.065 -2.412) 11.649 3.323 ( -3.739 -5.836 -1.220) 7.037 3.445 ( -3.489 -1.373 3.638) 5.224 3.465 ( 3.928 -1.316 -0.523) 4.175 3.685 ( 0.646 -1.675 -0.863) 1.992 3.812 ( 2.109 0.165 -2.658) 3.397 3.934 ( 0.860 2.661 0.294) 2.812 4.038 ( -4.388 0.025 3.276) 5.476 4.280 ( -1.943 -3.650 -3.870) 5.663 4.405 ( 3.898 1.445 -0.187) 4.161 4.482 ( 5.050 -3.276 -1.760) 6.272 4.546 ( 0.347 5.044 1.834) 5.379 4.648 ( -0.542 5.040 -0.972) 5.161 4.889 ( 3.048 2.574 2.327) 4.618 5.061 ( -8.691 -3.814 0.788) 9.523 5.348 ( 2.651 -1.130 0.122) 2.884 5.558 ( 4.968 -6.802 0.261) 8.427 5.673 ( -2.423 4.418 0.154) 5.041 5.770 ( 0.825 -0.716 -0.757) 1.329 5.958 ( 3.272 -1.077 -1.358) 3.703 6.080 ( -5.553 6.724 -1.197) 8.802 6.435 ( -6.270 -0.289 3.742) 7.307 6.490 ( -2.494 -7.375 -0.447) 7.798 6.797 ( -7.061 -5.387 0.409) 8.891 6.938 ( -3.779 -0.885 -2.278) 4.500 7.327 ( 1.897 0.024 -0.489) 1.959 7.617 ( 3.984 2.591 0.606) 4.791 7.771 ( 1.751 -0.671 0.315) 1.901 8.008 ( -6.111 -1.638 -1.865) 6.596 8.364 ( 3.072 1.920 0.681) 3.686 8.502 ( 2.076 2.563 -1.255) 3.529 8.712 ( 6.110 2.539 2.203) 6.974 8.929 ( 4.414 0.870 0.487) 4.525 9.141 ( 1.887 1.009 0.389) 2.175 9.444 ( 0.944 0.266 -0.125) 0.989 9.585 ( -0.792 2.628 0.544) 2.798 9.725 ( 3.393 0.356 -2.576) 4.275 9.881 ( -0.751 0.935 -1.267) 1.745 10.199 ( 1.842 -4.548 0.703) 4.957 10.301 ( 2.770 5.896 -3.268) 7.288 10.541 ( 6.471 4.522 7.680) 11.014 10.661 ( -3.502 -1.697 2.521) 4.637 10.728 ( 2.210 0.040 1.931) 2.935 11.198 ( 10.513 5.953 -5.959) 13.471 12.418 ( -23.090 -13.108 -0.219) 26.553 13.945 ( 4.643 2.591 -0.030) 5.317 14.321 ( -2.652 -1.525 -0.177) 3.064 ======================= Grid point 281 (78/88) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 6.385 0.503 -0.844) 6.460 1.749 ( 6.069 8.111 0.320) 10.135 1.893 ( 0.435 -1.813 -0.384) 1.903 2.412 ( 1.457 0.466 -0.896) 1.773 2.582 ( -4.809 -3.275 2.137) 6.198 2.758 ( -3.118 1.030 1.935) 3.811 2.831 ( 1.069 -3.581 0.856) 3.834 2.941 ( -11.833 -1.696 -3.161) 12.365 3.266 ( -0.479 -1.511 -0.940) 1.843 3.403 ( -0.485 -1.506 1.483) 2.169 3.516 ( 1.992 -0.058 0.205) 2.003 3.667 ( -0.705 -0.016 0.357) 0.791 3.848 ( 1.122 0.415 -2.886) 3.125 3.961 ( -1.626 0.701 0.654) 1.887 4.005 ( 1.069 0.384 2.206) 2.481 4.218 ( -1.193 -1.814 -1.656) 2.730 4.466 ( 2.900 -1.339 1.443) 3.505 4.567 ( 4.250 -0.389 -1.918) 4.679 4.613 ( 0.707 4.445 -0.820) 4.575 4.676 ( -1.664 4.065 -0.471) 4.418 4.899 ( -3.917 -3.525 1.073) 5.378 4.946 ( 0.733 1.220 1.263) 1.903 5.434 ( 7.115 1.659 -0.320) 7.313 5.572 ( -0.805 -3.093 1.155) 3.398 5.629 ( -2.608 -0.902 -0.289) 2.774 5.774 ( 0.441 -0.891 -0.987) 1.401 5.976 ( 2.033 -5.462 -1.478) 6.013 6.010 ( -7.739 6.875 0.827) 10.385 6.319 ( -1.734 4.537 0.404) 4.874 6.433 ( -1.449 -6.802 0.621) 6.982 6.690 ( -0.856 -2.064 0.588) 2.310 6.892 ( -1.349 0.178 -0.909) 1.637 7.351 ( 0.728 -0.020 -0.310) 0.792 7.683 ( 1.275 1.174 0.343) 1.767 7.820 ( 3.614 0.132 -0.550) 3.658 7.900 ( -4.652 -0.815 -0.100) 4.724 8.419 ( 1.238 0.795 0.205) 1.485 8.545 ( 0.696 0.968 -0.538) 1.308 8.803 ( 2.092 0.937 0.803) 2.429 8.997 ( 2.233 0.249 0.226) 2.259 9.179 ( 0.941 0.673 0.223) 1.178 9.446 ( -0.020 -0.670 0.041) 0.671 9.578 ( -1.152 0.609 0.143) 1.311 9.720 ( -1.067 -0.087 -0.769) 1.318 9.951 ( 3.287 2.365 -2.072) 4.549 10.153 ( -1.472 -2.774 1.676) 3.560 10.427 ( 5.888 2.636 -4.591) 7.918 10.558 ( -5.958 -1.059 4.256) 7.398 10.682 ( 2.247 4.649 4.532) 6.871 10.757 ( 2.545 -2.802 0.034) 3.785 11.443 ( 9.978 5.620 -4.420) 12.276 11.940 ( -15.937 -8.874 1.128) 18.276 14.053 ( 3.848 2.149 0.044) 4.408 14.246 ( -3.052 -1.739 -0.153) 3.516 ======================= Grid point 293 (79/88) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.771 12.349 -2.050) 13.396 1.289 ( 8.330 12.307 5.289) 15.774 1.418 ( 0.811 -0.238 -6.746) 6.799 2.453 ( 1.404 2.298 1.919) 3.307 2.727 ( 3.174 5.734 0.800) 6.602 2.994 ( -4.638 -5.731 2.495) 7.784 3.138 ( 0.879 -1.383 -2.710) 3.167 3.383 ( -1.157 -3.020 -3.130) 4.500 3.423 ( -3.715 -3.670 3.978) 6.564 3.535 ( 2.602 2.918 -0.161) 3.913 3.618 ( -4.738 -11.566 4.012) 13.127 3.772 ( -11.080 -5.819 -2.796) 12.823 3.783 ( -1.111 -8.581 -2.768) 9.085 3.962 ( -1.404 -3.912 0.601) 4.200 4.207 ( -0.438 1.231 -2.055) 2.435 4.258 ( 1.516 -4.554 -0.824) 4.870 4.364 ( -1.967 1.071 1.672) 2.795 4.409 ( 0.567 1.371 -0.551) 1.583 4.552 ( 0.390 0.267 2.014) 2.068 4.649 ( -0.283 -2.064 1.273) 2.442 4.793 ( 2.116 3.783 -0.829) 4.413 5.278 ( -0.335 -2.837 0.088) 2.858 5.300 ( -0.490 0.990 0.595) 1.254 5.516 ( -1.133 2.261 -1.253) 2.822 5.683 ( -0.411 -2.106 -1.228) 2.472 5.788 ( -0.011 -0.614 -0.902) 1.091 5.884 ( -2.070 -1.407 1.407) 2.871 6.066 ( 3.901 0.307 1.574) 4.218 6.249 ( 5.657 12.867 -0.865) 14.083 6.923 ( -10.004 -6.752 2.091) 12.249 6.978 ( 1.238 -11.169 -0.619) 11.255 7.121 ( -6.913 -10.622 0.245) 12.675 7.297 ( 0.822 2.671 -0.443) 2.829 7.453 ( 2.104 3.784 -0.359) 4.344 7.832 ( -3.814 -4.407 -0.073) 5.829 8.196 ( -1.334 -6.375 2.966) 7.157 8.250 ( 0.958 3.995 -2.090) 4.609 8.396 ( 6.129 5.331 -0.038) 8.123 8.468 ( 1.192 6.810 -0.739) 6.953 8.799 ( 3.012 6.072 -0.250) 6.782 9.109 ( 0.779 2.326 0.576) 2.520 9.344 ( 5.742 7.552 -2.349) 9.773 9.530 ( 0.963 0.839 -0.567) 1.397 9.573 ( 1.662 4.701 1.355) 5.167 10.028 ( 3.716 -4.209 -0.378) 5.628 10.060 ( -5.473 3.166 1.257) 6.446 10.252 ( 3.493 1.706 2.129) 4.432 10.357 ( 1.446 4.941 -3.386) 6.162 10.627 ( -0.056 0.859 -3.191) 3.306 10.812 ( 7.870 4.187 -0.150) 8.916 10.834 ( -0.742 7.033 3.788) 8.022 13.115 ( -12.562 -21.818 -0.048) 25.176 13.832 ( 1.457 2.567 0.276) 2.965 14.369 ( -0.462 -0.800 0.078) 0.927 ======================= Grid point 295 (80/88) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 2.604 10.297 -2.524) 10.917 1.499 ( 7.259 8.758 -1.037) 11.422 1.619 ( 12.515 6.584 -3.220) 14.503 2.476 ( -2.238 -1.006 4.488) 5.115 2.699 ( -2.606 -2.362 2.551) 4.345 2.904 ( -3.264 -3.743 2.369) 5.502 3.117 ( -6.032 -2.682 -4.807) 8.166 3.230 ( -4.176 -8.548 3.688) 10.203 3.353 ( 0.088 -7.469 1.138) 7.556 3.396 ( -7.229 -5.681 -1.816) 9.372 3.517 ( -3.702 -3.164 -0.867) 4.946 3.626 ( 0.176 -1.791 -2.089) 2.758 3.775 ( 2.135 2.247 -0.830) 3.209 3.945 ( 1.003 1.319 1.118) 1.999 4.162 ( -6.605 1.805 -0.072) 6.847 4.220 ( 2.550 -6.965 -3.585) 8.238 4.367 ( -0.035 -1.333 1.921) 2.338 4.431 ( 1.344 3.872 -0.825) 4.181 4.583 ( 1.440 3.286 4.070) 5.425 4.678 ( 2.731 3.584 -1.132) 4.646 4.896 ( 2.959 6.261 0.160) 6.927 5.211 ( -7.380 0.122 0.046) 7.381 5.299 ( 0.633 -1.708 0.256) 1.839 5.417 ( -0.794 -7.417 -0.461) 7.474 5.701 ( 0.446 -0.042 -1.395) 1.465 5.783 ( -1.546 1.694 -0.370) 2.323 5.880 ( 3.071 -2.894 0.120) 4.222 6.130 ( 3.705 -0.184 1.018) 3.847 6.419 ( 2.029 4.962 -0.410) 5.377 6.650 ( -13.426 -4.122 2.509) 14.267 6.848 ( -5.477 -14.183 0.634) 15.217 6.917 ( -1.245 -4.650 -0.899) 4.897 7.337 ( -0.263 3.853 -1.006) 3.991 7.542 ( 4.778 0.996 -0.171) 4.884 7.778 ( -1.048 1.595 0.119) 1.912 8.083 ( -4.102 -4.399 -0.041) 6.015 8.318 ( 2.318 2.000 0.403) 3.088 8.529 ( 0.188 6.020 -2.638) 6.575 8.579 ( 8.704 -0.079 2.612) 9.088 8.904 ( 2.580 5.449 0.187) 6.032 9.153 ( 0.632 3.910 0.787) 4.039 9.447 ( 0.204 1.586 -2.033) 2.586 9.603 ( 4.767 1.790 -1.182) 5.227 9.653 ( 2.077 3.979 -0.315) 4.499 9.975 ( -5.897 3.214 -1.065) 6.800 10.073 ( 4.905 -4.732 0.639) 6.845 10.334 ( 1.696 3.364 -2.052) 4.290 10.456 ( 5.514 4.188 2.558) 7.381 10.612 ( 0.334 -2.487 -2.074) 3.255 10.867 ( -4.930 9.325 6.831) 12.567 11.045 ( 11.908 3.670 -3.705) 13.000 12.618 ( -17.846 -20.219 -0.322) 26.971 13.901 ( 3.144 2.981 0.543) 4.366 14.339 ( -1.537 -1.926 0.118) 2.467 ======================= Grid point 297 (81/88) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 6.037 7.255 -1.710) 9.592 1.727 ( 6.371 9.055 -3.881) 11.733 1.854 ( 5.891 3.350 0.177) 6.780 2.382 ( -0.860 -2.178 2.289) 3.274 2.667 ( -4.588 -0.695 2.616) 5.327 2.783 ( -2.193 -5.868 2.986) 6.940 2.882 ( -10.199 -1.783 0.494) 10.366 3.076 ( -6.637 -12.165 -0.082) 13.858 3.193 ( -0.823 -4.519 -4.628) 6.520 3.382 ( 2.981 -4.927 2.898) 6.447 3.470 ( -0.746 1.440 -2.530) 3.005 3.632 ( 2.057 -2.131 -2.238) 3.712 3.821 ( 0.925 0.531 -2.557) 2.771 3.996 ( 1.928 1.468 5.233) 5.767 4.061 ( -5.070 1.213 -0.571) 5.244 4.206 ( 0.219 -1.854 -0.934) 2.088 4.349 ( 2.639 -4.045 4.014) 6.280 4.536 ( 2.811 6.652 -2.402) 7.611 4.676 ( 2.330 7.268 1.461) 7.771 4.778 ( 1.149 6.716 -2.131) 7.139 4.976 ( -3.124 4.991 1.096) 5.990 5.027 ( -10.379 0.945 -0.588) 10.439 5.302 ( 5.175 -3.307 1.023) 6.226 5.437 ( 7.987 -4.699 -0.866) 9.307 5.668 ( -2.449 -4.661 0.412) 5.282 5.754 ( -0.910 -0.804 -0.751) 1.427 5.883 ( 1.355 -5.568 -0.881) 5.798 6.193 ( -0.258 3.504 0.331) 3.529 6.382 ( -3.884 -3.500 0.208) 5.232 6.425 ( -7.861 -2.717 1.146) 8.395 6.686 ( -1.366 -2.851 1.065) 3.336 6.875 ( 0.633 -3.810 -0.183) 3.867 7.365 ( -0.662 3.140 -1.122) 3.399 7.623 ( 4.413 -1.907 -0.673) 4.855 7.804 ( 0.611 3.321 0.202) 3.382 7.978 ( -4.102 -1.639 0.409) 4.437 8.367 ( 2.323 -0.442 1.028) 2.578 8.567 ( -0.700 2.781 -1.667) 3.317 8.708 ( 6.859 -2.682 1.542) 7.524 9.005 ( 1.689 6.709 0.045) 6.918 9.207 ( 0.088 4.693 0.728) 4.750 9.439 ( -0.472 -0.827 -1.157) 1.499 9.624 ( -3.452 1.223 0.690) 3.726 9.740 ( 2.680 1.494 -2.277) 3.821 9.955 ( -0.826 5.549 -2.859) 6.296 10.083 ( 2.672 -6.745 -0.564) 7.277 10.386 ( 1.984 1.512 -4.383) 5.043 10.555 ( 1.583 -4.032 -2.851) 5.186 10.669 ( 5.850 7.494 7.531) 12.128 10.842 ( -7.571 7.371 6.565) 12.440 11.286 ( 11.872 2.568 -4.153) 12.837 12.121 ( -16.889 -15.071 0.099) 22.636 13.999 ( 4.392 2.672 0.675) 5.185 14.273 ( -2.761 -3.112 0.187) 4.164 ======================= Grid point 299 (82/88) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.057 5.239 0.304) 5.637 1.773 ( -4.247 -5.503 -2.775) 7.484 1.935 ( -0.018 5.845 -0.757) 5.894 2.450 ( -0.517 2.575 -0.824) 2.753 2.544 ( 0.050 0.579 2.943) 2.999 2.725 ( 1.263 -5.064 4.124) 6.651 2.787 ( 0.965 -1.567 -0.871) 2.036 2.893 ( -3.115 -0.595 -1.320) 3.434 3.188 ( 4.952 -5.408 -1.149) 7.422 3.402 ( 5.270 -4.628 0.021) 7.013 3.468 ( -1.907 1.837 -2.465) 3.618 3.635 ( 0.820 -2.433 -0.913) 2.725 3.832 ( 2.016 -2.169 -2.920) 4.159 3.995 ( -2.397 1.319 0.729) 2.831 4.055 ( -1.145 3.908 4.981) 6.433 4.192 ( 0.900 -0.859 -0.363) 1.296 4.380 ( 5.300 -4.842 4.608) 8.531 4.610 ( -1.999 4.221 -0.268) 4.678 4.742 ( -8.622 6.231 0.981) 10.683 4.777 ( -5.530 4.997 -2.612) 7.897 4.913 ( -0.851 5.742 -0.669) 5.843 4.968 ( -2.039 0.569 -0.923) 2.309 5.429 ( 9.876 -3.514 0.130) 10.484 5.484 ( -1.609 -5.420 -0.696) 5.697 5.613 ( 5.715 0.705 1.839) 6.045 5.741 ( 0.893 -3.050 -0.699) 3.254 5.837 ( 1.383 -5.953 -1.299) 6.248 6.141 ( -7.396 5.057 1.400) 9.068 6.260 ( -2.108 -7.394 0.015) 7.689 6.430 ( 5.114 3.692 -0.456) 6.324 6.686 ( 1.152 0.691 0.443) 1.415 6.854 ( 0.530 -2.185 0.597) 2.326 7.377 ( -0.946 2.120 -0.602) 2.398 7.648 ( 1.889 -4.130 -0.978) 4.646 7.857 ( 1.565 2.777 1.463) 3.507 7.905 ( -3.621 0.852 -0.148) 3.723 8.389 ( 1.217 -1.455 1.256) 2.275 8.562 ( -1.286 -0.166 -0.534) 1.402 8.760 ( 3.218 -4.550 0.023) 5.573 9.075 ( -2.272 5.994 -0.360) 6.421 9.233 ( -2.418 3.955 0.418) 4.655 9.440 ( 1.499 0.018 -1.480) 2.106 9.570 ( -2.066 -0.151 0.564) 2.147 9.755 ( -2.197 2.498 0.044) 3.327 9.986 ( -2.196 -0.897 1.039) 2.590 10.087 ( 5.274 -1.446 -5.811) 7.980 10.430 ( 3.012 -3.888 -4.452) 6.634 10.520 ( -1.249 -0.198 -1.840) 2.233 10.752 ( -8.337 2.826 3.182) 9.360 10.835 ( 1.797 8.378 4.821) 9.831 11.467 ( 3.037 -4.727 1.172) 5.740 11.818 ( 0.192 -1.449 -0.756) 1.645 14.074 ( 0.250 -0.223 0.646) 0.728 14.212 ( 0.694 -1.298 0.407) 1.527 ======================= Grid point 303 (83/88) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -8.906 1.624 -1.272) 9.142 1.610 ( -7.333 -2.670 1.146) 7.888 1.851 ( -10.546 -5.404 -2.405) 12.091 2.428 ( 3.681 1.424 0.635) 3.998 2.632 ( -1.259 1.118 -1.500) 2.255 2.763 ( 9.828 2.242 1.022) 10.133 2.926 ( 12.579 -1.503 2.377) 12.889 2.958 ( 4.713 8.302 1.490) 9.662 3.243 ( 6.460 -3.504 -0.381) 7.358 3.420 ( 1.710 -5.072 -5.580) 7.732 3.480 ( 1.552 1.122 1.522) 2.446 3.628 ( 1.976 -2.389 0.434) 3.131 3.850 ( -0.150 -0.084 -3.002) 3.006 3.971 ( -1.664 1.533 -0.261) 2.277 4.032 ( -3.446 2.214 4.001) 5.726 4.240 ( 4.422 -0.925 0.300) 4.527 4.410 ( 2.521 -4.331 2.745) 5.714 4.553 ( -5.240 -0.055 1.580) 5.473 4.600 ( -7.853 1.699 3.429) 8.736 4.709 ( -8.006 4.713 -2.867) 9.723 4.940 ( -2.287 1.447 -2.239) 3.513 5.020 ( 2.800 7.760 -1.623) 8.408 5.373 ( -1.027 -4.186 0.256) 4.318 5.535 ( 5.294 -7.940 -0.978) 9.593 5.677 ( -1.660 3.748 -0.458) 4.124 5.787 ( 0.550 0.186 0.551) 0.801 5.847 ( 10.152 -6.865 1.464) 12.342 6.051 ( -5.560 1.282 0.904) 5.777 6.298 ( 8.683 3.632 -0.796) 9.446 6.550 ( 2.245 4.306 -0.903) 4.939 6.725 ( 3.953 -1.186 1.056) 4.260 6.857 ( 2.248 -1.135 0.880) 2.668 7.374 ( -1.777 1.928 -0.200) 2.630 7.613 ( -0.411 -4.837 -0.634) 4.895 7.840 ( -3.758 1.060 0.040) 3.905 7.940 ( 3.794 2.593 1.429) 4.813 8.378 ( -1.178 -0.917 0.785) 1.687 8.524 ( -1.948 -1.267 0.487) 2.374 8.730 ( -0.892 -5.269 -1.642) 5.591 9.034 ( -6.241 1.906 -0.424) 6.540 9.208 ( -3.892 2.607 0.206) 4.689 9.472 ( -0.070 1.389 -2.303) 2.690 9.552 ( -0.354 -0.049 0.241) 0.431 9.752 ( -0.437 1.484 1.776) 2.356 9.912 ( -3.059 -0.906 1.274) 3.435 10.166 ( 3.702 -1.926 -4.473) 6.118 10.371 ( -4.453 -2.201 0.079) 4.968 10.546 ( 2.850 -1.206 -5.698) 6.485 10.619 ( -6.403 -1.027 -0.486) 6.503 10.890 ( -5.061 8.863 0.549) 10.221 11.286 ( -8.130 -9.325 6.301) 13.884 12.114 ( 21.731 7.077 -0.578) 22.862 14.001 ( -4.525 -2.444 0.642) 5.183 14.273 ( 4.104 0.840 0.481) 4.216 ======================= Grid point 305 (84/88) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -14.301 -0.286 -1.703) 14.405 1.447 ( -7.760 -0.615 3.277) 8.446 1.575 ( -11.238 -5.809 -4.390) 13.391 2.496 ( -0.823 -0.169 -1.052) 1.347 2.675 ( 6.332 2.842 1.240) 7.050 2.943 ( 5.260 -1.248 1.089) 5.515 3.076 ( 3.719 3.869 1.140) 5.487 3.201 ( 12.136 4.858 0.454) 13.080 3.342 ( 8.272 -3.161 2.490) 9.199 3.439 ( 5.303 -0.907 -0.696) 5.424 3.504 ( 1.427 1.659 -3.460) 4.094 3.672 ( 5.688 -2.907 0.971) 6.461 3.787 ( -4.683 -1.815 -0.767) 5.080 3.930 ( -2.426 1.478 0.053) 2.841 4.095 ( 4.736 5.128 -1.847) 7.221 4.287 ( 2.581 -4.528 -0.492) 5.235 4.361 ( -3.087 -0.153 2.254) 3.826 4.470 ( -2.125 -2.792 0.717) 3.582 4.554 ( -1.116 2.667 4.196) 5.095 4.638 ( -3.616 2.869 -1.656) 4.904 4.878 ( -5.572 1.175 -1.745) 5.956 5.169 ( 4.854 6.371 -1.094) 8.084 5.335 ( -0.477 -2.853 0.817) 3.006 5.522 ( 5.050 -8.903 -1.036) 10.287 5.680 ( -2.672 3.474 -1.229) 4.551 5.780 ( -0.790 1.381 -0.801) 1.782 5.887 ( 1.722 -5.474 2.509) 6.263 6.043 ( 0.848 3.105 1.595) 3.592 6.440 ( -3.720 -0.277 -2.669) 4.587 6.679 ( 10.660 10.195 1.050) 14.788 6.808 ( 8.434 -4.941 2.287) 10.039 6.937 ( 7.913 -0.213 0.385) 7.925 7.349 ( -3.100 1.337 -0.319) 3.391 7.540 ( -2.876 -3.555 -0.679) 4.623 7.799 ( -1.097 0.482 -0.692) 1.384 8.056 ( 6.156 2.744 2.671) 7.250 8.328 ( -3.435 -0.733 -0.453) 3.541 8.472 ( -3.664 0.664 1.063) 3.873 8.622 ( -5.062 -5.282 -2.515) 7.736 8.922 ( -6.564 -0.697 -0.328) 6.609 9.160 ( -3.593 1.268 0.406) 3.832 9.446 ( -3.847 0.767 -2.635) 4.725 9.544 ( -0.526 -0.175 -0.269) 0.616 9.699 ( -5.515 -2.284 1.787) 6.231 9.931 ( 2.080 5.298 0.776) 5.744 10.145 ( -0.087 -7.931 0.349) 7.939 10.290 ( -4.695 3.342 0.100) 5.763 10.469 ( -5.355 -2.596 -4.929) 7.727 10.613 ( 3.054 -1.819 -3.673) 5.111 10.863 ( -7.417 8.620 -1.130) 11.427 11.050 ( -8.572 -8.272 6.750) 13.692 12.616 ( 26.581 5.485 0.147) 27.141 13.902 ( -4.200 -1.296 0.584) 4.434 14.339 ( 2.442 0.370 0.277) 2.486 ======================= Grid point 315 (85/88) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.019 9.823 -1.957) 10.016 1.697 ( 6.171 2.777 -2.687) 7.281 1.773 ( 9.599 14.901 -1.246) 17.769 2.419 ( -4.651 -2.881 1.628) 5.708 2.669 ( 2.285 -0.978 2.423) 3.471 2.781 ( -5.509 -8.211 2.803) 10.277 2.956 ( -1.056 -12.665 -0.955) 12.745 3.057 ( -10.269 -6.142 2.833) 12.296 3.205 ( 1.849 -6.203 -1.091) 6.564 3.310 ( -6.423 -4.015 -4.045) 8.587 3.487 ( 0.022 0.651 0.888) 1.101 3.601 ( -0.323 -0.338 -2.263) 2.311 3.849 ( 0.264 2.664 -3.045) 4.054 3.976 ( -1.096 -1.573 0.839) 2.093 4.081 ( 2.207 -0.652 1.474) 2.733 4.202 ( -1.824 -0.477 2.554) 3.175 4.342 ( -3.346 -0.955 2.206) 4.120 4.559 ( 3.829 7.642 0.027) 8.547 4.655 ( 6.356 5.096 2.935) 8.659 4.776 ( 5.509 6.218 -1.894) 8.521 5.006 ( 5.637 2.775 -1.739) 6.519 5.195 ( 4.777 -3.885 -0.401) 6.171 5.277 ( -6.542 -2.106 1.106) 6.961 5.317 ( -8.932 1.956 -2.005) 9.361 5.678 ( -4.067 -2.383 -1.051) 4.829 5.780 ( -3.179 -2.461 1.519) 4.297 5.807 ( 1.441 -3.927 0.019) 4.182 6.117 ( 6.658 0.745 0.474) 6.717 6.385 ( -2.590 -9.843 -0.173) 10.179 6.577 ( -8.475 -4.655 -0.442) 9.680 6.663 ( -0.239 -0.730 2.883) 2.983 6.851 ( -1.134 -1.320 -0.563) 1.829 7.408 ( 1.035 2.387 -0.774) 2.714 7.545 ( 0.400 -0.292 -0.411) 0.643 7.837 ( 0.469 3.594 -0.452) 3.653 7.984 ( -0.760 -4.428 2.159) 4.985 8.371 ( 0.036 2.912 -0.276) 2.925 8.555 ( 5.828 -1.668 1.636) 6.278 8.628 ( -2.951 3.172 -1.809) 4.695 9.041 ( 3.030 7.373 0.000) 7.971 9.237 ( 2.020 3.852 0.475) 4.376 9.457 ( -2.114 -0.381 -1.371) 2.548 9.638 ( 7.954 1.298 -2.527) 8.446 9.719 ( -3.286 2.480 0.913) 4.217 9.958 ( 3.423 -4.382 1.052) 5.659 10.076 ( -4.834 4.112 -2.892) 6.974 10.360 ( 0.768 -0.854 -4.607) 4.748 10.524 ( -0.069 0.849 -5.294) 5.362 10.635 ( 5.826 6.456 5.200) 10.132 11.071 ( -6.595 8.776 6.914) 12.974 11.089 ( 11.320 1.924 -1.785) 11.620 12.194 ( -11.420 -20.339 -0.270) 23.327 13.972 ( 2.173 3.942 0.949) 4.600 14.281 ( -2.117 -3.693 0.456) 4.281 ======================= Grid point 317 (86/88) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.798 7.947 -1.001) 8.484 1.772 ( 0.425 -2.266 -3.017) 3.797 1.995 ( 1.657 7.224 -1.622) 7.587 2.421 ( 3.885 5.571 2.111) 7.112 2.602 ( -1.594 -4.529 2.553) 5.438 2.689 ( -4.615 -2.967 2.208) 5.914 2.799 ( -3.503 -7.489 2.394) 8.608 2.879 ( -0.388 -3.950 -1.651) 4.299 3.120 ( -5.102 -2.303 -4.623) 7.260 3.239 ( 5.346 -8.551 -0.772) 10.114 3.499 ( 0.453 0.160 5.473) 5.494 3.629 ( 0.675 3.163 -7.868) 8.507 3.824 ( -4.239 -0.851 -2.285) 4.891 3.923 ( 3.966 -6.284 -1.122) 7.515 4.129 ( -0.662 4.505 4.153) 6.162 4.209 ( 0.090 0.855 4.468) 4.550 4.283 ( 0.077 -2.689 3.947) 4.777 4.702 ( 1.095 9.142 -0.787) 9.241 4.833 ( 4.044 7.765 0.323) 8.761 4.921 ( 1.892 6.498 -0.712) 6.805 5.037 ( -10.134 -0.001 -0.270) 10.138 5.086 ( -5.715 4.132 -1.642) 7.241 5.227 ( 5.873 -2.577 0.529) 6.436 5.366 ( 8.381 -3.348 -2.272) 9.307 5.512 ( -3.469 -9.715 1.726) 10.459 5.740 ( -1.708 -0.732 -0.476) 1.918 5.772 ( 0.924 -4.012 -0.328) 4.130 6.211 ( -0.460 -5.985 -0.230) 6.007 6.268 ( 0.976 0.718 1.246) 1.738 6.407 ( -4.676 -0.809 -0.164) 4.749 6.666 ( 0.799 -0.973 1.411) 1.891 6.845 ( -0.071 0.924 -0.722) 1.175 7.427 ( -1.531 2.669 -0.525) 3.121 7.554 ( 2.840 -4.133 -0.501) 5.040 7.877 ( 0.058 3.196 0.481) 3.233 7.942 ( -0.773 -1.671 1.593) 2.434 8.397 ( -0.711 3.627 0.179) 3.700 8.584 ( -1.647 -1.940 -1.519) 2.964 8.632 ( 4.615 -3.280 1.584) 5.879 9.161 ( 0.933 7.239 -0.065) 7.300 9.304 ( 0.254 4.110 0.175) 4.122 9.411 ( -0.611 -1.914 -1.042) 2.264 9.661 ( -5.377 3.204 0.360) 6.269 9.775 ( 4.239 1.526 -1.765) 4.839 9.928 ( 1.200 -7.939 -0.156) 8.031 10.082 ( -1.139 6.361 -4.479) 7.863 10.336 ( 1.443 -5.526 -5.343) 7.821 10.526 ( 0.004 0.353 -4.861) 4.874 10.852 ( 6.487 9.841 6.442) 13.432 10.991 ( -11.024 6.845 6.024) 14.306 11.286 ( 10.406 -3.401 0.038) 10.948 11.848 ( -7.783 -10.368 -0.696) 12.983 14.054 ( 2.674 2.834 1.031) 4.031 14.198 ( -2.069 -4.029 0.649) 4.575 ======================= Grid point 319 (87/88) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -6.291 -4.525 -2.023) 8.009 1.702 ( -0.583 5.138 -0.368) 5.184 2.005 ( -6.431 1.174 -2.785) 7.106 2.457 ( -7.447 -1.964 0.115) 7.703 2.588 ( 8.633 -0.646 4.092) 9.575 2.653 ( 2.094 3.285 1.649) 4.230 2.768 ( 3.990 -0.042 0.254) 3.998 2.928 ( 6.906 0.270 1.081) 6.995 3.097 ( 3.442 0.372 -1.132) 3.642 3.254 ( 6.142 -7.917 -5.214) 11.296 3.505 ( 0.076 -0.580 5.439) 5.471 3.625 ( -3.622 1.494 -6.006) 7.171 3.811 ( 3.257 1.680 -2.207) 4.277 3.949 ( 4.246 -5.682 -3.045) 7.719 4.130 ( -3.997 2.765 5.917) 7.657 4.190 ( -0.847 0.607 3.423) 3.578 4.308 ( 4.026 -2.382 3.908) 6.096 4.702 ( -8.477 3.571 0.559) 9.215 4.811 ( -11.281 2.308 1.242) 11.581 4.907 ( -7.084 3.511 -1.086) 7.980 4.993 ( 0.118 4.444 -2.037) 4.890 5.090 ( -0.733 10.087 -1.553) 10.232 5.270 ( 3.648 -9.128 0.646) 9.851 5.376 ( 3.194 -7.098 -2.155) 8.076 5.566 ( 12.375 -5.913 1.443) 13.791 5.714 ( 0.550 2.442 0.254) 2.516 5.772 ( 1.146 -1.810 -0.613) 2.228 6.162 ( -1.250 -0.084 -0.387) 1.311 6.227 ( -1.267 2.653 1.365) 3.241 6.471 ( 7.246 -0.397 -0.661) 7.287 6.667 ( 0.762 -1.642 1.876) 2.607 6.850 ( -0.540 0.578 -0.975) 1.256 7.426 ( -1.460 2.590 -0.340) 2.993 7.550 ( 1.738 -4.290 -0.376) 4.644 7.901 ( -2.294 0.123 1.206) 2.594 7.917 ( 1.307 1.252 0.881) 2.013 8.412 ( -1.936 2.545 0.227) 3.206 8.540 ( -0.712 -0.701 0.153) 1.011 8.658 ( 2.619 -4.425 -0.264) 5.149 9.169 ( -5.967 2.329 -0.105) 6.407 9.298 ( -3.347 1.786 0.028) 3.794 9.432 ( 3.168 -1.314 -1.125) 3.609 9.635 ( -3.135 6.871 -1.112) 7.634 9.778 ( -2.478 -1.869 1.026) 3.269 9.904 ( 2.957 -3.298 -0.263) 4.438 10.121 ( -0.625 1.754 -5.126) 5.453 10.327 ( 3.619 -4.059 -5.213) 7.533 10.528 ( -0.147 0.188 -5.037) 5.043 10.814 ( -12.531 2.825 5.489) 13.969 11.033 ( 0.303 10.354 2.670) 10.697 11.280 ( -2.571 -11.562 4.621) 12.714 11.844 ( 12.564 1.840 -1.366) 12.771 14.055 ( -3.726 -0.960 0.982) 3.970 14.198 ( 4.517 -0.194 0.744) 4.582 ======================= Grid point 335 (88/88) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -1.177 -2.354 -1.625) 3.093 1.717 ( 1.177 2.354 -1.625) 3.093 2.069 ( -0.000 -0.000 -2.405) 2.405 2.458 ( -0.000 -0.000 4.008) 4.008 2.628 ( 0.000 0.000 -0.993) 0.993 2.665 ( -1.858 -3.716 2.537) 4.868 2.665 ( 1.858 3.716 2.537) 4.868 2.859 ( -0.000 0.000 -1.774) 1.774 3.107 ( -1.187 -2.374 -2.628) 3.735 3.107 ( 1.187 2.374 -2.628) 3.735 3.489 ( -0.000 -0.000 6.952) 6.952 3.719 ( 0.000 -0.000 -11.193) 11.193 3.808 ( -1.208 -2.417 -0.659) 2.781 3.808 ( 1.208 2.416 -0.659) 2.781 4.214 ( 0.000 0.000 3.978) 3.978 4.220 ( -1.645 -3.290 4.838) 6.078 4.220 ( 1.645 3.290 4.838) 6.078 4.896 ( -3.837 -7.673 -0.114) 8.579 4.896 ( 3.837 7.673 -0.114) 8.579 4.970 ( -2.081 -4.163 0.231) 4.660 4.970 ( 2.081 4.163 0.231) 4.660 5.249 ( -0.994 -1.989 -1.370) 2.612 5.249 ( 0.994 1.989 -1.370) 2.612 5.257 ( -0.000 -0.000 -3.304) 3.304 5.323 ( -0.000 -0.000 2.494) 2.494 5.734 ( -0.519 -1.038 -0.121) 1.167 5.734 ( 0.519 1.038 -0.121) 1.167 6.130 ( -0.000 -0.000 0.276) 0.276 6.345 ( -2.369 -4.737 0.131) 5.298 6.345 ( 2.369 4.737 0.131) 5.298 6.652 ( -0.000 -0.000 1.753) 1.753 6.862 ( -0.000 -0.000 -1.547) 1.547 7.480 ( -1.319 -2.638 -0.131) 2.952 7.480 ( 1.319 2.638 -0.131) 2.952 7.917 ( -0.273 -0.545 1.317) 1.451 7.917 ( 0.273 0.545 1.317) 1.451 8.495 ( -2.210 -4.419 -0.948) 5.031 8.495 ( 2.210 4.419 -0.948) 5.031 8.606 ( -0.000 -0.000 1.754) 1.754 9.249 ( -0.000 -0.000 0.146) 0.146 9.363 ( -1.229 -2.458 -0.559) 2.804 9.363 ( 1.229 2.458 -0.559) 2.804 9.768 ( -2.805 -5.610 -0.737) 6.316 9.768 ( 2.805 5.610 -0.737) 6.316 9.799 ( -0.000 0.000 -0.333) 0.333 10.209 ( -2.738 -5.476 -5.069) 7.948 10.209 ( 2.738 5.476 -5.069) 7.948 10.532 ( -0.000 -0.000 -5.506) 5.506 10.988 ( -0.000 -0.000 6.157) 6.157 11.142 ( -3.864 -7.728 3.914) 9.485 11.142 ( 3.864 7.728 3.914) 9.485 11.741 ( -0.000 -0.000 -1.845) 1.845 14.119 ( -1.600 -3.201 0.970) 3.708 14.119 ( 1.600 3.201 0.970) 3.708 =================== 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 3/26244 10.0 873.444 873.444 611.090 -0.000 0.000 -0.000 3/26244 20.0 155.084 155.084 80.453 -0.000 0.000 -0.000 3/26244 30.0 44.749 44.749 20.930 -0.000 0.000 -0.000 3/26244 40.0 20.211 20.211 9.236 -0.000 0.000 -0.000 3/26244 50.0 11.886 11.886 5.467 -0.000 0.000 -0.000 3/26244 60.0 8.142 8.142 3.790 -0.000 0.000 -0.000 3/26244 70.0 6.122 6.122 2.880 -0.000 0.000 -0.000 3/26244 80.0 4.890 4.890 2.319 -0.000 0.000 -0.000 3/26244 90.0 4.072 4.072 1.943 -0.000 0.000 -0.000 3/26244 100.0 3.494 3.494 1.675 -0.000 0.000 -0.000 3/26244 110.0 3.065 3.065 1.475 -0.000 0.000 -0.000 3/26244 120.0 2.735 2.735 1.319 -0.000 0.000 -0.000 3/26244 130.0 2.473 2.473 1.196 -0.000 0.000 -0.000 3/26244 140.0 2.261 2.261 1.094 -0.000 0.000 -0.000 3/26244 150.0 2.084 2.084 1.010 -0.000 0.000 -0.000 3/26244 160.0 1.935 1.935 0.939 -0.000 0.000 -0.000 3/26244 170.0 1.807 1.807 0.877 -0.000 0.000 -0.000 3/26244 180.0 1.696 1.696 0.824 -0.000 0.000 -0.000 3/26244 190.0 1.599 1.599 0.777 -0.000 0.000 -0.000 3/26244 200.0 1.513 1.513 0.735 -0.000 0.000 -0.000 3/26244 210.0 1.436 1.436 0.698 -0.000 0.000 -0.000 3/26244 220.0 1.367 1.367 0.664 -0.000 0.000 -0.000 3/26244 230.0 1.305 1.305 0.634 -0.000 0.000 -0.000 3/26244 240.0 1.248 1.248 0.607 -0.000 0.000 -0.000 3/26244 250.0 1.196 1.196 0.581 -0.000 0.000 -0.000 3/26244 260.0 1.149 1.149 0.558 -0.000 0.000 -0.000 3/26244 270.0 1.105 1.105 0.537 -0.000 0.000 -0.000 3/26244 280.0 1.065 1.065 0.517 -0.000 0.000 -0.000 3/26244 290.0 1.027 1.027 0.499 -0.000 0.000 -0.000 3/26244 300.0 0.992 0.992 0.482 -0.000 0.000 -0.000 3/26244 310.0 0.960 0.960 0.466 -0.000 0.000 -0.000 3/26244 320.0 0.929 0.929 0.451 -0.000 0.000 -0.000 3/26244 330.0 0.901 0.901 0.437 -0.000 0.000 -0.000 3/26244 340.0 0.874 0.874 0.424 -0.000 0.000 -0.000 3/26244 350.0 0.848 0.848 0.412 -0.000 0.000 -0.000 3/26244 360.0 0.825 0.825 0.400 -0.000 0.000 -0.000 3/26244 370.0 0.802 0.802 0.389 -0.000 0.000 -0.000 3/26244 380.0 0.781 0.781 0.379 -0.000 0.000 -0.000 3/26244 390.0 0.761 0.761 0.369 -0.000 0.000 -0.000 3/26244 400.0 0.741 0.741 0.360 -0.000 0.000 -0.000 3/26244 410.0 0.723 0.723 0.351 -0.000 0.000 -0.000 3/26244 420.0 0.706 0.706 0.343 -0.000 0.000 -0.000 3/26244 430.0 0.689 0.689 0.335 -0.000 0.000 -0.000 3/26244 440.0 0.674 0.674 0.327 -0.000 0.000 -0.000 3/26244 450.0 0.659 0.659 0.320 -0.000 0.000 -0.000 3/26244 460.0 0.644 0.644 0.313 -0.000 0.000 -0.000 3/26244 470.0 0.631 0.631 0.306 -0.000 0.000 -0.000 3/26244 480.0 0.617 0.617 0.300 -0.000 0.000 -0.000 3/26244 490.0 0.605 0.605 0.293 -0.000 0.000 -0.000 3/26244 500.0 0.593 0.593 0.287 -0.000 0.000 -0.000 3/26244 510.0 0.581 0.581 0.282 -0.000 0.000 -0.000 3/26244 520.0 0.570 0.570 0.276 -0.000 0.000 -0.000 3/26244 530.0 0.559 0.559 0.271 -0.000 0.000 -0.000 3/26244 540.0 0.549 0.549 0.266 -0.000 0.000 -0.000 3/26244 550.0 0.539 0.539 0.261 -0.000 0.000 -0.000 3/26244 560.0 0.529 0.529 0.257 -0.000 0.000 -0.000 3/26244 570.0 0.520 0.520 0.252 -0.000 0.000 -0.000 3/26244 580.0 0.511 0.511 0.248 -0.000 0.000 -0.000 3/26244 590.0 0.502 0.502 0.243 -0.000 0.000 -0.000 3/26244 600.0 0.494 0.494 0.239 -0.000 0.000 -0.000 3/26244 610.0 0.485 0.485 0.235 -0.000 0.000 -0.000 3/26244 620.0 0.478 0.478 0.232 -0.000 0.000 -0.000 3/26244 630.0 0.470 0.470 0.228 -0.000 0.000 -0.000 3/26244 640.0 0.463 0.463 0.224 -0.000 0.000 -0.000 3/26244 650.0 0.456 0.456 0.221 -0.000 0.000 -0.000 3/26244 660.0 0.449 0.449 0.218 -0.000 0.000 -0.000 3/26244 670.0 0.442 0.442 0.214 -0.000 0.000 -0.000 3/26244 680.0 0.435 0.435 0.211 -0.000 0.000 -0.000 3/26244 690.0 0.429 0.429 0.208 -0.000 0.000 -0.000 3/26244 700.0 0.423 0.423 0.205 -0.000 0.000 -0.000 3/26244 710.0 0.417 0.417 0.202 -0.000 0.000 -0.000 3/26244 720.0 0.411 0.411 0.199 -0.000 0.000 -0.000 3/26244 730.0 0.406 0.406 0.197 -0.000 0.000 -0.000 3/26244 740.0 0.400 0.400 0.194 -0.000 0.000 -0.000 3/26244 750.0 0.395 0.395 0.191 -0.000 0.000 -0.000 3/26244 760.0 0.390 0.390 0.189 -0.000 0.000 -0.000 3/26244 770.0 0.385 0.385 0.186 -0.000 0.000 -0.000 3/26244 780.0 0.380 0.380 0.184 -0.000 0.000 -0.000 3/26244 790.0 0.375 0.375 0.182 -0.000 0.000 -0.000 3/26244 800.0 0.370 0.370 0.179 -0.000 0.000 -0.000 3/26244 810.0 0.366 0.366 0.177 -0.000 0.000 -0.000 3/26244 820.0 0.361 0.361 0.175 -0.000 0.000 -0.000 3/26244 830.0 0.357 0.357 0.173 -0.000 0.000 -0.000 3/26244 840.0 0.352 0.352 0.171 -0.000 0.000 -0.000 3/26244 850.0 0.348 0.348 0.169 -0.000 0.000 -0.000 3/26244 860.0 0.344 0.344 0.167 -0.000 0.000 -0.000 3/26244 870.0 0.340 0.340 0.165 -0.000 0.000 -0.000 3/26244 880.0 0.336 0.336 0.163 -0.000 0.000 -0.000 3/26244 890.0 0.333 0.333 0.161 -0.000 0.000 -0.000 3/26244 900.0 0.329 0.329 0.159 -0.000 0.000 -0.000 3/26244 910.0 0.325 0.325 0.158 -0.000 0.000 -0.000 3/26244 920.0 0.322 0.322 0.156 -0.000 0.000 -0.000 3/26244 930.0 0.318 0.318 0.154 -0.000 0.000 -0.000 3/26244 940.0 0.315 0.315 0.153 -0.000 0.000 -0.000 3/26244 950.0 0.312 0.312 0.151 -0.000 0.000 -0.000 3/26244 960.0 0.308 0.308 0.149 -0.000 0.000 -0.000 3/26244 970.0 0.305 0.305 0.148 -0.000 0.000 -0.000 3/26244 980.0 0.302 0.302 0.146 -0.000 0.000 -0.000 3/26244 990.0 0.299 0.299 0.145 -0.000 0.000 -0.000 3/26244 1000.0 0.296 0.296 0.144 -0.000 0.000 -0.000 3/26244 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:57:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|