----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.639824410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660829610000000 Atomic positions (fractional): *1 P 0.58153722574971 0.87029399461098 0.21653395821219 30.974 2 P 0.41846277425029 0.87029399461098 0.28346604178781 30.974 3 P 0.08153722574972 0.62970600538902 0.78346604178781 30.974 4 P 0.91846277425029 0.37029399461098 0.21653395821219 30.974 5 P 0.08153722574972 0.37029399461098 0.28346604178781 30.974 6 P 0.58153722574971 0.12970600538902 0.71653395821219 30.974 7 P 0.41846277425029 0.12970600538902 0.78346604178781 30.974 8 P 0.91846277425029 0.62970600538902 0.71653395821219 30.974 *9 S 0.65368209490518 0.36460531783632 0.95389735965180 32.065 10 S 0.15368209490518 0.13539468216368 0.04610264034820 32.065 11 S 0.84631790509482 0.13539468216368 0.45389735965180 32.065 12 S 0.65368209490518 0.63539468216368 0.45389735965180 32.065 13 S 0.15368209490518 0.86460531783632 0.54610264034820 32.065 14 S 0.84631790509482 0.86460531783632 0.95389735965180 32.065 15 S 0.34631790509482 0.36460531783632 0.54610264034820 32.065 16 S 0.34631790509482 0.63539468216368 0.04610264034820 32.065 *17 Pd 0.38729605351827 0.75076842801468 0.66141085172473 106.420 18 Pd 0.61270394648173 0.75076842801468 0.83858914827527 106.420 19 Pd 0.11270394648173 0.74923157198532 0.16141085172473 106.420 20 Pd 0.88729605351827 0.74923157198532 0.33858914827527 106.420 21 Pd 0.61270394648173 0.24923157198532 0.33858914827527 106.420 22 Pd 0.38729605351827 0.24923157198532 0.16141085172473 106.420 23 Pd 0.88729605351827 0.25076842801468 0.83858914827527 106.420 24 Pd 0.11270394648173 0.25076842801468 0.66141085172473 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.639824410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660829610000000 Atomic positions (fractional): *1 P 0.58153722574971 0.87029399461098 0.21653395821219 30.974 > 1 2 P 0.41846277425029 0.87029399461098 0.28346604178781 30.974 > 2 3 P 0.08153722574972 0.62970600538902 0.78346604178781 30.974 > 3 4 P 0.91846277425029 0.37029399461098 0.21653395821219 30.974 > 4 5 P 0.08153722574972 0.37029399461098 0.28346604178781 30.974 > 5 6 P 0.58153722574971 0.12970600538902 0.71653395821219 30.974 > 6 7 P 0.41846277425029 0.12970600538902 0.78346604178781 30.974 > 7 8 P 0.91846277425029 0.62970600538902 0.71653395821219 30.974 > 8 *9 S 0.65368209490518 0.36460531783632 0.95389735965180 32.065 > 9 10 S 0.15368209490518 0.13539468216368 0.04610264034820 32.065 > 10 11 S 0.84631790509482 0.13539468216368 0.45389735965180 32.065 > 11 12 S 0.65368209490518 0.63539468216368 0.45389735965180 32.065 > 12 13 S 0.15368209490518 0.86460531783632 0.54610264034820 32.065 > 13 14 S 0.84631790509482 0.86460531783632 0.95389735965180 32.065 > 14 15 S 0.34631790509482 0.36460531783632 0.54610264034820 32.065 > 15 16 S 0.34631790509482 0.63539468216368 0.04610264034820 32.065 > 16 *17 Pd 0.38729605351827 0.75076842801468 0.66141085172473 106.420 > 17 18 Pd 0.61270394648173 0.75076842801468 0.83858914827527 106.420 > 18 19 Pd 0.11270394648173 0.74923157198532 0.16141085172473 106.420 > 19 20 Pd 0.88729605351827 0.74923157198532 0.33858914827527 106.420 > 20 21 Pd 0.61270394648173 0.24923157198532 0.33858914827527 106.420 > 21 22 Pd 0.38729605351827 0.24923157198532 0.16141085172473 106.420 > 22 23 Pd 0.88729605351827 0.25076842801468 0.83858914827527 106.420 > 23 24 Pd 0.11270394648173 0.25076842801468 0.66141085172473 106.420 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.919473230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.321659220000001 Atomic positions (fractional): *1 P 0.58153722574971 0.29009799820366 0.10826697910609 30.974 > 1 2 P 0.58153722574971 0.62343133153699 0.10826697910609 30.974 > 1 3 P 0.58153722574971 0.95676466487033 0.10826697910609 30.974 > 1 4 P 0.58153722574971 0.29009799820366 0.60826697910609 30.974 > 1 5 P 0.58153722574971 0.62343133153699 0.60826697910609 30.974 > 1 6 P 0.58153722574971 0.95676466487033 0.60826697910609 30.974 > 1 7 P 0.41846277425029 0.29009799820366 0.14173302089391 30.974 > 2 8 P 0.41846277425029 0.62343133153699 0.14173302089391 30.974 > 2 9 P 0.41846277425029 0.95676466487033 0.14173302089391 30.974 > 2 10 P 0.41846277425029 0.29009799820366 0.64173302089391 30.974 > 2 11 P 0.41846277425029 0.62343133153699 0.64173302089391 30.974 > 2 12 P 0.41846277425029 0.95676466487033 0.64173302089391 30.974 > 2 13 P 0.08153722574972 0.20990200179634 0.39173302089391 30.974 > 3 14 P 0.08153722574972 0.54323533512967 0.39173302089391 30.974 > 3 15 P 0.08153722574972 0.87656866846301 0.39173302089391 30.974 > 3 16 P 0.08153722574972 0.20990200179634 0.89173302089391 30.974 > 3 17 P 0.08153722574972 0.54323533512967 0.89173302089391 30.974 > 3 18 P 0.08153722574972 0.87656866846301 0.89173302089391 30.974 > 3 19 P 0.91846277425029 0.12343133153699 0.10826697910609 30.974 > 4 20 P 0.91846277425029 0.45676466487033 0.10826697910609 30.974 > 4 21 P 0.91846277425029 0.79009799820366 0.10826697910609 30.974 > 4 22 P 0.91846277425029 0.12343133153699 0.60826697910609 30.974 > 4 23 P 0.91846277425029 0.45676466487033 0.60826697910609 30.974 > 4 24 P 0.91846277425029 0.79009799820366 0.60826697910609 30.974 > 4 25 P 0.08153722574972 0.12343133153699 0.14173302089391 30.974 > 5 26 P 0.08153722574972 0.45676466487033 0.14173302089391 30.974 > 5 27 P 0.08153722574972 0.79009799820366 0.14173302089391 30.974 > 5 28 P 0.08153722574972 0.12343133153699 0.64173302089391 30.974 > 5 29 P 0.08153722574972 0.45676466487033 0.64173302089391 30.974 > 5 30 P 0.08153722574972 0.79009799820366 0.64173302089391 30.974 > 5 31 P 0.58153722574971 0.04323533512967 0.35826697910609 30.974 > 6 32 P 0.58153722574971 0.37656866846301 0.35826697910609 30.974 > 6 33 P 0.58153722574971 0.70990200179634 0.35826697910609 30.974 > 6 34 P 0.58153722574971 0.04323533512967 0.85826697910609 30.974 > 6 35 P 0.58153722574971 0.37656866846301 0.85826697910609 30.974 > 6 36 P 0.58153722574971 0.70990200179634 0.85826697910609 30.974 > 6 37 P 0.41846277425029 0.04323533512967 0.39173302089391 30.974 > 7 38 P 0.41846277425029 0.37656866846301 0.39173302089391 30.974 > 7 39 P 0.41846277425029 0.70990200179634 0.39173302089391 30.974 > 7 40 P 0.41846277425029 0.04323533512967 0.89173302089391 30.974 > 7 41 P 0.41846277425029 0.37656866846301 0.89173302089391 30.974 > 7 42 P 0.41846277425029 0.70990200179634 0.89173302089391 30.974 > 7 43 P 0.91846277425029 0.20990200179634 0.35826697910609 30.974 > 8 44 P 0.91846277425029 0.54323533512967 0.35826697910609 30.974 > 8 45 P 0.91846277425029 0.87656866846301 0.35826697910609 30.974 > 8 46 P 0.91846277425029 0.20990200179634 0.85826697910609 30.974 > 8 47 P 0.91846277425029 0.54323533512967 0.85826697910609 30.974 > 8 48 P 0.91846277425029 0.87656866846301 0.85826697910609 30.974 > 8 *49 S 0.65368209490518 0.12153510594544 0.47694867982590 32.065 > 9 50 S 0.65368209490518 0.45486843927877 0.47694867982590 32.065 > 9 51 S 0.65368209490518 0.78820177261211 0.47694867982590 32.065 > 9 52 S 0.65368209490518 0.12153510594544 0.97694867982590 32.065 > 9 53 S 0.65368209490518 0.45486843927877 0.97694867982590 32.065 > 9 54 S 0.65368209490518 0.78820177261211 0.97694867982590 32.065 > 9 55 S 0.15368209490518 0.04513156072123 0.02305132017410 32.065 > 10 56 S 0.15368209490518 0.37846489405456 0.02305132017410 32.065 > 10 57 S 0.15368209490518 0.71179822738789 0.02305132017410 32.065 > 10 58 S 0.15368209490518 0.04513156072123 0.52305132017410 32.065 > 10 59 S 0.15368209490518 0.37846489405456 0.52305132017410 32.065 > 10 60 S 0.15368209490518 0.71179822738789 0.52305132017410 32.065 > 10 61 S 0.84631790509482 0.04513156072123 0.22694867982590 32.065 > 11 62 S 0.84631790509482 0.37846489405456 0.22694867982590 32.065 > 11 63 S 0.84631790509482 0.71179822738789 0.22694867982590 32.065 > 11 64 S 0.84631790509482 0.04513156072123 0.72694867982590 32.065 > 11 65 S 0.84631790509482 0.37846489405456 0.72694867982590 32.065 > 11 66 S 0.84631790509482 0.71179822738789 0.72694867982590 32.065 > 11 67 S 0.65368209490518 0.21179822738789 0.22694867982590 32.065 > 12 68 S 0.65368209490518 0.54513156072123 0.22694867982590 32.065 > 12 69 S 0.65368209490518 0.87846489405456 0.22694867982590 32.065 > 12 70 S 0.65368209490518 0.21179822738789 0.72694867982590 32.065 > 12 71 S 0.65368209490518 0.54513156072123 0.72694867982590 32.065 > 12 72 S 0.65368209490518 0.87846489405456 0.72694867982590 32.065 > 12 73 S 0.15368209490518 0.28820177261211 0.27305132017410 32.065 > 13 74 S 0.15368209490518 0.62153510594544 0.27305132017410 32.065 > 13 75 S 0.15368209490518 0.95486843927877 0.27305132017410 32.065 > 13 76 S 0.15368209490518 0.28820177261211 0.77305132017410 32.065 > 13 77 S 0.15368209490518 0.62153510594544 0.77305132017410 32.065 > 13 78 S 0.15368209490518 0.95486843927877 0.77305132017410 32.065 > 13 79 S 0.84631790509482 0.28820177261211 0.47694867982590 32.065 > 14 80 S 0.84631790509482 0.62153510594544 0.47694867982590 32.065 > 14 81 S 0.84631790509482 0.95486843927877 0.47694867982590 32.065 > 14 82 S 0.84631790509482 0.28820177261211 0.97694867982590 32.065 > 14 83 S 0.84631790509482 0.62153510594544 0.97694867982590 32.065 > 14 84 S 0.84631790509482 0.95486843927877 0.97694867982590 32.065 > 14 85 S 0.34631790509482 0.12153510594544 0.27305132017410 32.065 > 15 86 S 0.34631790509482 0.45486843927877 0.27305132017410 32.065 > 15 87 S 0.34631790509482 0.78820177261211 0.27305132017410 32.065 > 15 88 S 0.34631790509482 0.12153510594544 0.77305132017410 32.065 > 15 89 S 0.34631790509482 0.45486843927877 0.77305132017410 32.065 > 15 90 S 0.34631790509482 0.78820177261211 0.77305132017410 32.065 > 15 91 S 0.34631790509482 0.21179822738789 0.02305132017410 32.065 > 16 92 S 0.34631790509482 0.54513156072123 0.02305132017410 32.065 > 16 93 S 0.34631790509482 0.87846489405456 0.02305132017410 32.065 > 16 94 S 0.34631790509482 0.21179822738789 0.52305132017410 32.065 > 16 95 S 0.34631790509482 0.54513156072123 0.52305132017410 32.065 > 16 96 S 0.34631790509482 0.87846489405456 0.52305132017410 32.065 > 16 *97 Pd 0.38729605351827 0.25025614267156 0.33070542586237 106.420 > 17 98 Pd 0.38729605351827 0.58358947600489 0.33070542586237 106.420 > 17 99 Pd 0.38729605351827 0.91692280933823 0.33070542586237 106.420 > 17 100 Pd 0.38729605351827 0.25025614267156 0.83070542586237 106.420 > 17 101 Pd 0.38729605351827 0.58358947600489 0.83070542586237 106.420 > 17 102 Pd 0.38729605351827 0.91692280933823 0.83070542586237 106.420 > 17 103 Pd 0.61270394648173 0.25025614267156 0.41929457413763 106.420 > 18 104 Pd 0.61270394648173 0.58358947600489 0.41929457413763 106.420 > 18 105 Pd 0.61270394648173 0.91692280933823 0.41929457413763 106.420 > 18 106 Pd 0.61270394648173 0.25025614267156 0.91929457413763 106.420 > 18 107 Pd 0.61270394648173 0.58358947600489 0.91929457413763 106.420 > 18 108 Pd 0.61270394648173 0.91692280933823 0.91929457413763 106.420 > 18 109 Pd 0.11270394648173 0.24974385732844 0.08070542586237 106.420 > 19 110 Pd 0.11270394648173 0.58307719066177 0.08070542586237 106.420 > 19 111 Pd 0.11270394648173 0.91641052399511 0.08070542586237 106.420 > 19 112 Pd 0.11270394648173 0.24974385732844 0.58070542586237 106.420 > 19 113 Pd 0.11270394648173 0.58307719066177 0.58070542586237 106.420 > 19 114 Pd 0.11270394648173 0.91641052399511 0.58070542586237 106.420 > 19 115 Pd 0.88729605351827 0.24974385732844 0.16929457413763 106.420 > 20 116 Pd 0.88729605351827 0.58307719066177 0.16929457413763 106.420 > 20 117 Pd 0.88729605351827 0.91641052399511 0.16929457413763 106.420 > 20 118 Pd 0.88729605351827 0.24974385732844 0.66929457413763 106.420 > 20 119 Pd 0.88729605351827 0.58307719066177 0.66929457413763 106.420 > 20 120 Pd 0.88729605351827 0.91641052399511 0.66929457413763 106.420 > 20 121 Pd 0.61270394648173 0.08307719066177 0.16929457413763 106.420 > 21 122 Pd 0.61270394648173 0.41641052399511 0.16929457413763 106.420 > 21 123 Pd 0.61270394648173 0.74974385732844 0.16929457413763 106.420 > 21 124 Pd 0.61270394648173 0.08307719066177 0.66929457413763 106.420 > 21 125 Pd 0.61270394648173 0.41641052399511 0.66929457413763 106.420 > 21 126 Pd 0.61270394648173 0.74974385732844 0.66929457413763 106.420 > 21 127 Pd 0.38729605351827 0.08307719066177 0.08070542586237 106.420 > 22 128 Pd 0.38729605351827 0.41641052399511 0.08070542586237 106.420 > 22 129 Pd 0.38729605351827 0.74974385732844 0.08070542586237 106.420 > 22 130 Pd 0.38729605351827 0.08307719066177 0.58070542586237 106.420 > 22 131 Pd 0.38729605351827 0.41641052399511 0.58070542586237 106.420 > 22 132 Pd 0.38729605351827 0.74974385732844 0.58070542586237 106.420 > 22 133 Pd 0.88729605351827 0.08358947600489 0.41929457413763 106.420 > 23 134 Pd 0.88729605351827 0.41692280933823 0.41929457413763 106.420 > 23 135 Pd 0.88729605351827 0.75025614267156 0.41929457413763 106.420 > 23 136 Pd 0.88729605351827 0.08358947600489 0.91929457413763 106.420 > 23 137 Pd 0.88729605351827 0.41692280933823 0.91929457413763 106.420 > 23 138 Pd 0.88729605351827 0.75025614267156 0.91929457413763 106.420 > 23 139 Pd 0.11270394648173 0.08358947600489 0.33070542586237 106.420 > 24 140 Pd 0.11270394648173 0.41692280933823 0.33070542586237 106.420 > 24 141 Pd 0.11270394648173 0.75025614267156 0.33070542586237 106.420 > 24 142 Pd 0.11270394648173 0.08358947600489 0.83070542586237 106.420 > 24 143 Pd 0.11270394648173 0.41692280933823 0.83070542586237 106.420 > 24 144 Pd 0.11270394648173 0.75025614267156 0.83070542586237 106.420 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.2561717 0.0000000 0.0000000 0.0000000 15.8653582 0.0000000 0.0000000 0.0000000 16.0914457 -------------------------- Born effective charges -------------------------- 1 P 0.6382683 -0.4688884 0.1389403 -0.6271406 2.2820705 -0.9476485 0.2339774 -0.5445428 2.3076841 2 P 0.6382683 0.4688884 0.1389403 0.6271406 2.2820705 0.9476485 0.2339774 0.5445428 2.3076841 3 P 0.6382683 0.4688884 -0.1389403 0.6271406 2.2820705 -0.9476485 -0.2339774 -0.5445428 2.3076841 4 P 0.6382683 0.4688884 -0.1389403 0.6271406 2.2820705 -0.9476485 -0.2339774 -0.5445428 2.3076841 5 P 0.6382683 -0.4688884 -0.1389403 -0.6271406 2.2820705 0.9476485 -0.2339774 0.5445428 2.3076841 6 P 0.6382683 0.4688884 0.1389403 0.6271406 2.2820705 0.9476485 0.2339774 0.5445428 2.3076841 7 P 0.6382683 -0.4688884 0.1389403 -0.6271406 2.2820705 -0.9476485 0.2339774 -0.5445428 2.3076841 8 P 0.6382683 -0.4688884 -0.1389403 -0.6271406 2.2820705 0.9476485 -0.2339774 0.5445428 2.3076841 9 S -0.6399959 -0.1677669 0.0324207 -0.1651737 -0.8277174 0.3183375 -0.4122790 0.5553033 -0.7161213 10 S -0.6399959 0.1677669 -0.0324207 0.1651737 -0.8277174 0.3183375 0.4122790 0.5553033 -0.7161213 11 S -0.6399959 -0.1677669 -0.0324207 -0.1651737 -0.8277174 -0.3183375 0.4122790 -0.5553033 -0.7161213 12 S -0.6399959 0.1677669 0.0324207 0.1651737 -0.8277174 -0.3183375 -0.4122790 -0.5553033 -0.7161213 13 S -0.6399959 -0.1677669 -0.0324207 -0.1651737 -0.8277174 -0.3183375 0.4122790 -0.5553033 -0.7161213 14 S -0.6399959 0.1677669 -0.0324207 0.1651737 -0.8277174 0.3183375 0.4122790 0.5553033 -0.7161213 15 S -0.6399959 0.1677669 0.0324207 0.1651737 -0.8277174 -0.3183375 -0.4122790 -0.5553033 -0.7161213 16 S -0.6399959 -0.1677669 0.0324207 -0.1651737 -0.8277174 0.3183375 -0.4122790 0.5553033 -0.7161213 17 Pd 0.0017276 -0.2212373 0.0292856 0.1407662 -1.4543531 0.2078323 0.2427036 -0.2098744 -1.5915627 18 Pd 0.0017276 0.2212373 0.0292856 -0.1407662 -1.4543531 -0.2078323 0.2427036 0.2098744 -1.5915627 19 Pd 0.0017276 -0.2212373 -0.0292856 0.1407662 -1.4543531 -0.2078323 -0.2427036 0.2098744 -1.5915627 20 Pd 0.0017276 0.2212373 -0.0292856 -0.1407662 -1.4543531 0.2078323 -0.2427036 -0.2098744 -1.5915627 21 Pd 0.0017276 -0.2212373 0.0292856 0.1407662 -1.4543531 0.2078323 0.2427036 -0.2098744 -1.5915627 22 Pd 0.0017276 0.2212373 0.0292856 -0.1407662 -1.4543531 -0.2078323 0.2427036 0.2098744 -1.5915627 23 Pd 0.0017276 -0.2212373 -0.0292856 0.1407662 -1.4543531 -0.2078323 -0.2427036 0.2098744 -1.5915627 24 Pd 0.0017276 0.2212373 -0.0292856 -0.1407662 -1.4543531 0.2078323 -0.2427036 -0.2098744 -1.5915627 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2007), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.444 Solver_block: 200 / 400 - Time: 4.510 Solver_block: 300 / 400 - Time: 4.529 Solver_block: 400 / 400 - Time: 4.507 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.046 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2007), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:19:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:19:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.639824410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660829610000000 Atomic positions (fractional): 1 P 0.58153722574971 0.87029399461098 0.21653395821219 30.974 2 P 0.41846277425029 0.87029399461098 0.28346604178781 30.974 3 P 0.08153722574972 0.62970600538902 0.78346604178781 30.974 4 P 0.91846277425029 0.37029399461098 0.21653395821219 30.974 5 P 0.08153722574972 0.37029399461098 0.28346604178781 30.974 6 P 0.58153722574971 0.12970600538902 0.71653395821219 30.974 7 P 0.41846277425029 0.12970600538902 0.78346604178781 30.974 8 P 0.91846277425029 0.62970600538902 0.71653395821219 30.974 9 S 0.65368209490518 0.36460531783632 0.95389735965180 32.065 10 S 0.15368209490518 0.13539468216368 0.04610264034820 32.065 11 S 0.84631790509482 0.13539468216368 0.45389735965180 32.065 12 S 0.65368209490518 0.63539468216368 0.45389735965180 32.065 13 S 0.15368209490518 0.86460531783632 0.54610264034820 32.065 14 S 0.84631790509482 0.86460531783632 0.95389735965180 32.065 15 S 0.34631790509482 0.36460531783632 0.54610264034820 32.065 16 S 0.34631790509482 0.63539468216368 0.04610264034820 32.065 17 Pd 0.38729605351827 0.75076842801468 0.66141085172473 106.420 18 Pd 0.61270394648173 0.75076842801468 0.83858914827527 106.420 19 Pd 0.11270394648173 0.74923157198532 0.16141085172473 106.420 20 Pd 0.88729605351827 0.74923157198532 0.33858914827527 106.420 21 Pd 0.61270394648173 0.24923157198532 0.33858914827527 106.420 22 Pd 0.38729605351827 0.24923157198532 0.16141085172473 106.420 23 Pd 0.88729605351827 0.25076842801468 0.83858914827527 106.420 24 Pd 0.11270394648173 0.25076842801468 0.66141085172473 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.919473230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.321659220000001 Atomic positions (fractional): 1 P 0.58153722574971 0.29009799820366 0.10826697910609 30.974 > 1 2 P 0.58153722574971 0.62343133153699 0.10826697910609 30.974 > 1 3 P 0.58153722574971 0.95676466487033 0.10826697910609 30.974 > 1 4 P 0.58153722574971 0.29009799820366 0.60826697910609 30.974 > 1 5 P 0.58153722574971 0.62343133153699 0.60826697910609 30.974 > 1 6 P 0.58153722574971 0.95676466487033 0.60826697910609 30.974 > 1 7 P 0.41846277425029 0.29009799820366 0.14173302089391 30.974 > 7 8 P 0.41846277425029 0.62343133153699 0.14173302089391 30.974 > 7 9 P 0.41846277425029 0.95676466487033 0.14173302089391 30.974 > 7 10 P 0.41846277425029 0.29009799820366 0.64173302089391 30.974 > 7 11 P 0.41846277425029 0.62343133153699 0.64173302089391 30.974 > 7 12 P 0.41846277425029 0.95676466487033 0.64173302089391 30.974 > 7 13 P 0.08153722574972 0.20990200179634 0.39173302089391 30.974 > 13 14 P 0.08153722574972 0.54323533512967 0.39173302089391 30.974 > 13 15 P 0.08153722574972 0.87656866846301 0.39173302089391 30.974 > 13 16 P 0.08153722574972 0.20990200179634 0.89173302089391 30.974 > 13 17 P 0.08153722574972 0.54323533512967 0.89173302089391 30.974 > 13 18 P 0.08153722574972 0.87656866846301 0.89173302089391 30.974 > 13 19 P 0.91846277425029 0.12343133153699 0.10826697910609 30.974 > 19 20 P 0.91846277425029 0.45676466487033 0.10826697910609 30.974 > 19 21 P 0.91846277425029 0.79009799820366 0.10826697910609 30.974 > 19 22 P 0.91846277425029 0.12343133153699 0.60826697910609 30.974 > 19 23 P 0.91846277425029 0.45676466487033 0.60826697910609 30.974 > 19 24 P 0.91846277425029 0.79009799820366 0.60826697910609 30.974 > 19 25 P 0.08153722574972 0.12343133153699 0.14173302089391 30.974 > 25 26 P 0.08153722574972 0.45676466487033 0.14173302089391 30.974 > 25 27 P 0.08153722574972 0.79009799820366 0.14173302089391 30.974 > 25 28 P 0.08153722574972 0.12343133153699 0.64173302089391 30.974 > 25 29 P 0.08153722574972 0.45676466487033 0.64173302089391 30.974 > 25 30 P 0.08153722574972 0.79009799820366 0.64173302089391 30.974 > 25 31 P 0.58153722574971 0.04323533512967 0.35826697910609 30.974 > 31 32 P 0.58153722574971 0.37656866846301 0.35826697910609 30.974 > 31 33 P 0.58153722574971 0.70990200179634 0.35826697910609 30.974 > 31 34 P 0.58153722574971 0.04323533512967 0.85826697910609 30.974 > 31 35 P 0.58153722574971 0.37656866846301 0.85826697910609 30.974 > 31 36 P 0.58153722574971 0.70990200179634 0.85826697910609 30.974 > 31 37 P 0.41846277425029 0.04323533512967 0.39173302089391 30.974 > 37 38 P 0.41846277425029 0.37656866846301 0.39173302089391 30.974 > 37 39 P 0.41846277425029 0.70990200179634 0.39173302089391 30.974 > 37 40 P 0.41846277425029 0.04323533512967 0.89173302089391 30.974 > 37 41 P 0.41846277425029 0.37656866846301 0.89173302089391 30.974 > 37 42 P 0.41846277425029 0.70990200179634 0.89173302089391 30.974 > 37 43 P 0.91846277425029 0.20990200179634 0.35826697910609 30.974 > 43 44 P 0.91846277425029 0.54323533512967 0.35826697910609 30.974 > 43 45 P 0.91846277425029 0.87656866846301 0.35826697910609 30.974 > 43 46 P 0.91846277425029 0.20990200179634 0.85826697910609 30.974 > 43 47 P 0.91846277425029 0.54323533512967 0.85826697910609 30.974 > 43 48 P 0.91846277425029 0.87656866846301 0.85826697910609 30.974 > 43 49 S 0.65368209490518 0.12153510594544 0.47694867982590 32.065 > 49 50 S 0.65368209490518 0.45486843927877 0.47694867982590 32.065 > 49 51 S 0.65368209490518 0.78820177261211 0.47694867982590 32.065 > 49 52 S 0.65368209490518 0.12153510594544 0.97694867982590 32.065 > 49 53 S 0.65368209490518 0.45486843927877 0.97694867982590 32.065 > 49 54 S 0.65368209490518 0.78820177261211 0.97694867982590 32.065 > 49 55 S 0.15368209490518 0.04513156072123 0.02305132017410 32.065 > 55 56 S 0.15368209490518 0.37846489405456 0.02305132017410 32.065 > 55 57 S 0.15368209490518 0.71179822738789 0.02305132017410 32.065 > 55 58 S 0.15368209490518 0.04513156072123 0.52305132017410 32.065 > 55 59 S 0.15368209490518 0.37846489405456 0.52305132017410 32.065 > 55 60 S 0.15368209490518 0.71179822738789 0.52305132017410 32.065 > 55 61 S 0.84631790509482 0.04513156072123 0.22694867982590 32.065 > 61 62 S 0.84631790509482 0.37846489405456 0.22694867982590 32.065 > 61 63 S 0.84631790509482 0.71179822738789 0.22694867982590 32.065 > 61 64 S 0.84631790509482 0.04513156072123 0.72694867982590 32.065 > 61 65 S 0.84631790509482 0.37846489405456 0.72694867982590 32.065 > 61 66 S 0.84631790509482 0.71179822738789 0.72694867982590 32.065 > 61 67 S 0.65368209490518 0.21179822738789 0.22694867982590 32.065 > 67 68 S 0.65368209490518 0.54513156072123 0.22694867982590 32.065 > 67 69 S 0.65368209490518 0.87846489405456 0.22694867982590 32.065 > 67 70 S 0.65368209490518 0.21179822738789 0.72694867982590 32.065 > 67 71 S 0.65368209490518 0.54513156072123 0.72694867982590 32.065 > 67 72 S 0.65368209490518 0.87846489405456 0.72694867982590 32.065 > 67 73 S 0.15368209490518 0.28820177261211 0.27305132017410 32.065 > 73 74 S 0.15368209490518 0.62153510594544 0.27305132017410 32.065 > 73 75 S 0.15368209490518 0.95486843927877 0.27305132017410 32.065 > 73 76 S 0.15368209490518 0.28820177261211 0.77305132017410 32.065 > 73 77 S 0.15368209490518 0.62153510594544 0.77305132017410 32.065 > 73 78 S 0.15368209490518 0.95486843927877 0.77305132017410 32.065 > 73 79 S 0.84631790509482 0.28820177261211 0.47694867982590 32.065 > 79 80 S 0.84631790509482 0.62153510594544 0.47694867982590 32.065 > 79 81 S 0.84631790509482 0.95486843927877 0.47694867982590 32.065 > 79 82 S 0.84631790509482 0.28820177261211 0.97694867982590 32.065 > 79 83 S 0.84631790509482 0.62153510594544 0.97694867982590 32.065 > 79 84 S 0.84631790509482 0.95486843927877 0.97694867982590 32.065 > 79 85 S 0.34631790509482 0.12153510594544 0.27305132017410 32.065 > 85 86 S 0.34631790509482 0.45486843927877 0.27305132017410 32.065 > 85 87 S 0.34631790509482 0.78820177261211 0.27305132017410 32.065 > 85 88 S 0.34631790509482 0.12153510594544 0.77305132017410 32.065 > 85 89 S 0.34631790509482 0.45486843927877 0.77305132017410 32.065 > 85 90 S 0.34631790509482 0.78820177261211 0.77305132017410 32.065 > 85 91 S 0.34631790509482 0.21179822738789 0.02305132017410 32.065 > 91 92 S 0.34631790509482 0.54513156072123 0.02305132017410 32.065 > 91 93 S 0.34631790509482 0.87846489405456 0.02305132017410 32.065 > 91 94 S 0.34631790509482 0.21179822738789 0.52305132017410 32.065 > 91 95 S 0.34631790509482 0.54513156072123 0.52305132017410 32.065 > 91 96 S 0.34631790509482 0.87846489405456 0.52305132017410 32.065 > 91 97 Pd 0.38729605351827 0.25025614267156 0.33070542586237 106.420 > 97 98 Pd 0.38729605351827 0.58358947600489 0.33070542586237 106.420 > 97 99 Pd 0.38729605351827 0.91692280933823 0.33070542586237 106.420 > 97 100 Pd 0.38729605351827 0.25025614267156 0.83070542586237 106.420 > 97 101 Pd 0.38729605351827 0.58358947600489 0.83070542586237 106.420 > 97 102 Pd 0.38729605351827 0.91692280933823 0.83070542586237 106.420 > 97 103 Pd 0.61270394648173 0.25025614267156 0.41929457413763 106.420 > 103 104 Pd 0.61270394648173 0.58358947600489 0.41929457413763 106.420 > 103 105 Pd 0.61270394648173 0.91692280933823 0.41929457413763 106.420 > 103 106 Pd 0.61270394648173 0.25025614267156 0.91929457413763 106.420 > 103 107 Pd 0.61270394648173 0.58358947600489 0.91929457413763 106.420 > 103 108 Pd 0.61270394648173 0.91692280933823 0.91929457413763 106.420 > 103 109 Pd 0.11270394648173 0.24974385732844 0.08070542586237 106.420 > 109 110 Pd 0.11270394648173 0.58307719066177 0.08070542586237 106.420 > 109 111 Pd 0.11270394648173 0.91641052399511 0.08070542586237 106.420 > 109 112 Pd 0.11270394648173 0.24974385732844 0.58070542586237 106.420 > 109 113 Pd 0.11270394648173 0.58307719066177 0.58070542586237 106.420 > 109 114 Pd 0.11270394648173 0.91641052399511 0.58070542586237 106.420 > 109 115 Pd 0.88729605351827 0.24974385732844 0.16929457413763 106.420 > 115 116 Pd 0.88729605351827 0.58307719066177 0.16929457413763 106.420 > 115 117 Pd 0.88729605351827 0.91641052399511 0.16929457413763 106.420 > 115 118 Pd 0.88729605351827 0.24974385732844 0.66929457413763 106.420 > 115 119 Pd 0.88729605351827 0.58307719066177 0.66929457413763 106.420 > 115 120 Pd 0.88729605351827 0.91641052399511 0.66929457413763 106.420 > 115 121 Pd 0.61270394648173 0.08307719066177 0.16929457413763 106.420 > 121 122 Pd 0.61270394648173 0.41641052399511 0.16929457413763 106.420 > 121 123 Pd 0.61270394648173 0.74974385732844 0.16929457413763 106.420 > 121 124 Pd 0.61270394648173 0.08307719066177 0.66929457413763 106.420 > 121 125 Pd 0.61270394648173 0.41641052399511 0.66929457413763 106.420 > 121 126 Pd 0.61270394648173 0.74974385732844 0.66929457413763 106.420 > 121 127 Pd 0.38729605351827 0.08307719066177 0.08070542586237 106.420 > 127 128 Pd 0.38729605351827 0.41641052399511 0.08070542586237 106.420 > 127 129 Pd 0.38729605351827 0.74974385732844 0.08070542586237 106.420 > 127 130 Pd 0.38729605351827 0.08307719066177 0.58070542586237 106.420 > 127 131 Pd 0.38729605351827 0.41641052399511 0.58070542586237 106.420 > 127 132 Pd 0.38729605351827 0.74974385732844 0.58070542586237 106.420 > 127 133 Pd 0.88729605351827 0.08358947600489 0.41929457413763 106.420 > 133 134 Pd 0.88729605351827 0.41692280933823 0.41929457413763 106.420 > 133 135 Pd 0.88729605351827 0.75025614267156 0.41929457413763 106.420 > 133 136 Pd 0.88729605351827 0.08358947600489 0.91929457413763 106.420 > 133 137 Pd 0.88729605351827 0.41692280933823 0.91929457413763 106.420 > 133 138 Pd 0.88729605351827 0.75025614267156 0.91929457413763 106.420 > 133 139 Pd 0.11270394648173 0.08358947600489 0.33070542586237 106.420 > 139 140 Pd 0.11270394648173 0.41692280933823 0.33070542586237 106.420 > 139 141 Pd 0.11270394648173 0.75025614267156 0.33070542586237 106.420 > 139 142 Pd 0.11270394648173 0.08358947600489 0.83070542586237 106.420 > 139 143 Pd 0.11270394648173 0.41692280933823 0.83070542586237 106.420 > 139 144 Pd 0.11270394648173 0.75025614267156 0.83070542586237 106.420 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.2561717 0.0000000 0.0000000 0.0000000 15.8653582 0.0000000 0.0000000 0.0000000 16.0914457 -------------------------- Born effective charges -------------------------- 1 P 0.6382683 -0.4688884 0.1389403 -0.6271406 2.2820705 -0.9476485 0.2339774 -0.5445428 2.3076841 2 P 0.6382683 0.4688884 0.1389403 0.6271406 2.2820705 0.9476485 0.2339774 0.5445428 2.3076841 3 P 0.6382683 0.4688884 -0.1389403 0.6271406 2.2820705 -0.9476485 -0.2339774 -0.5445428 2.3076841 4 P 0.6382683 0.4688884 -0.1389403 0.6271406 2.2820705 -0.9476485 -0.2339774 -0.5445428 2.3076841 5 P 0.6382683 -0.4688884 -0.1389403 -0.6271406 2.2820705 0.9476485 -0.2339774 0.5445428 2.3076841 6 P 0.6382683 0.4688884 0.1389403 0.6271406 2.2820705 0.9476485 0.2339774 0.5445428 2.3076841 7 P 0.6382683 -0.4688884 0.1389403 -0.6271406 2.2820705 -0.9476485 0.2339774 -0.5445428 2.3076841 8 P 0.6382683 -0.4688884 -0.1389403 -0.6271406 2.2820705 0.9476485 -0.2339774 0.5445428 2.3076841 9 S -0.6399959 -0.1677669 0.0324207 -0.1651737 -0.8277174 0.3183375 -0.4122790 0.5553033 -0.7161213 10 S -0.6399959 0.1677669 -0.0324207 0.1651737 -0.8277174 0.3183375 0.4122790 0.5553033 -0.7161213 11 S -0.6399959 -0.1677669 -0.0324207 -0.1651737 -0.8277174 -0.3183375 0.4122790 -0.5553033 -0.7161213 12 S -0.6399959 0.1677669 0.0324207 0.1651737 -0.8277174 -0.3183375 -0.4122790 -0.5553033 -0.7161213 13 S -0.6399959 -0.1677669 -0.0324207 -0.1651737 -0.8277174 -0.3183375 0.4122790 -0.5553033 -0.7161213 14 S -0.6399959 0.1677669 -0.0324207 0.1651737 -0.8277174 0.3183375 0.4122790 0.5553033 -0.7161213 15 S -0.6399959 0.1677669 0.0324207 0.1651737 -0.8277174 -0.3183375 -0.4122790 -0.5553033 -0.7161213 16 S -0.6399959 -0.1677669 0.0324207 -0.1651737 -0.8277174 0.3183375 -0.4122790 0.5553033 -0.7161213 17 Pd 0.0017276 -0.2212373 0.0292856 0.1407662 -1.4543531 0.2078323 0.2427036 -0.2098744 -1.5915627 18 Pd 0.0017276 0.2212373 0.0292856 -0.1407662 -1.4543531 -0.2078323 0.2427036 0.2098744 -1.5915627 19 Pd 0.0017276 -0.2212373 -0.0292856 0.1407662 -1.4543531 -0.2078323 -0.2427036 0.2098744 -1.5915627 20 Pd 0.0017276 0.2212373 -0.0292856 -0.1407662 -1.4543531 0.2078323 -0.2427036 -0.2098744 -1.5915627 21 Pd 0.0017276 -0.2212373 0.0292856 0.1407662 -1.4543531 0.2078323 0.2427036 -0.2098744 -1.5915627 22 Pd 0.0017276 0.2212373 0.0292856 -0.1407662 -1.4543531 -0.2078323 0.2427036 0.2098744 -1.5915627 23 Pd 0.0017276 -0.2212373 -0.0292856 0.1407662 -1.4543531 -0.2078323 -0.2427036 0.2098744 -1.5915627 24 Pd 0.0017276 0.2212373 -0.0292856 -0.1407662 -1.4543531 0.2078323 -0.2427036 -0.2098744 -1.5915627 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:20:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:20:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.639824410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.660829610000000 Atomic positions (fractional): 1 P 0.58153722574971 0.87029399461098 0.21653395821219 30.974 2 P 0.41846277425029 0.87029399461098 0.28346604178781 30.974 3 P 0.08153722574972 0.62970600538902 0.78346604178781 30.974 4 P 0.91846277425029 0.37029399461098 0.21653395821219 30.974 5 P 0.08153722574972 0.37029399461098 0.28346604178781 30.974 6 P 0.58153722574971 0.12970600538902 0.71653395821219 30.974 7 P 0.41846277425029 0.12970600538902 0.78346604178781 30.974 8 P 0.91846277425029 0.62970600538902 0.71653395821219 30.974 9 S 0.65368209490518 0.36460531783632 0.95389735965180 32.065 10 S 0.15368209490518 0.13539468216368 0.04610264034820 32.065 11 S 0.84631790509482 0.13539468216368 0.45389735965180 32.065 12 S 0.65368209490518 0.63539468216368 0.45389735965180 32.065 13 S 0.15368209490518 0.86460531783632 0.54610264034820 32.065 14 S 0.84631790509482 0.86460531783632 0.95389735965180 32.065 15 S 0.34631790509482 0.36460531783632 0.54610264034820 32.065 16 S 0.34631790509482 0.63539468216368 0.04610264034820 32.065 17 Pd 0.38729605351827 0.75076842801468 0.66141085172473 106.420 18 Pd 0.61270394648173 0.75076842801468 0.83858914827527 106.420 19 Pd 0.11270394648173 0.74923157198532 0.16141085172473 106.420 20 Pd 0.88729605351827 0.74923157198532 0.33858914827527 106.420 21 Pd 0.61270394648173 0.24923157198532 0.33858914827527 106.420 22 Pd 0.38729605351827 0.24923157198532 0.16141085172473 106.420 23 Pd 0.88729605351827 0.25076842801468 0.83858914827527 106.420 24 Pd 0.11270394648173 0.25076842801468 0.66141085172473 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.370177630000001 0.000000000000000 0.000000000000000 b 0.000000000000000 16.919473230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.321659220000001 Atomic positions (fractional): 1 P 0.58153722574971 0.29009799820366 0.10826697910609 30.974 > 1 2 P 0.58153722574971 0.62343133153699 0.10826697910609 30.974 > 1 3 P 0.58153722574971 0.95676466487033 0.10826697910609 30.974 > 1 4 P 0.58153722574971 0.29009799820366 0.60826697910609 30.974 > 1 5 P 0.58153722574971 0.62343133153699 0.60826697910609 30.974 > 1 6 P 0.58153722574971 0.95676466487033 0.60826697910609 30.974 > 1 7 P 0.41846277425029 0.29009799820366 0.14173302089391 30.974 > 7 8 P 0.41846277425029 0.62343133153699 0.14173302089391 30.974 > 7 9 P 0.41846277425029 0.95676466487033 0.14173302089391 30.974 > 7 10 P 0.41846277425029 0.29009799820366 0.64173302089391 30.974 > 7 11 P 0.41846277425029 0.62343133153699 0.64173302089391 30.974 > 7 12 P 0.41846277425029 0.95676466487033 0.64173302089391 30.974 > 7 13 P 0.08153722574972 0.20990200179634 0.39173302089391 30.974 > 13 14 P 0.08153722574972 0.54323533512967 0.39173302089391 30.974 > 13 15 P 0.08153722574972 0.87656866846301 0.39173302089391 30.974 > 13 16 P 0.08153722574972 0.20990200179634 0.89173302089391 30.974 > 13 17 P 0.08153722574972 0.54323533512967 0.89173302089391 30.974 > 13 18 P 0.08153722574972 0.87656866846301 0.89173302089391 30.974 > 13 19 P 0.91846277425029 0.12343133153699 0.10826697910609 30.974 > 19 20 P 0.91846277425029 0.45676466487033 0.10826697910609 30.974 > 19 21 P 0.91846277425029 0.79009799820366 0.10826697910609 30.974 > 19 22 P 0.91846277425029 0.12343133153699 0.60826697910609 30.974 > 19 23 P 0.91846277425029 0.45676466487033 0.60826697910609 30.974 > 19 24 P 0.91846277425029 0.79009799820366 0.60826697910609 30.974 > 19 25 P 0.08153722574972 0.12343133153699 0.14173302089391 30.974 > 25 26 P 0.08153722574972 0.45676466487033 0.14173302089391 30.974 > 25 27 P 0.08153722574972 0.79009799820366 0.14173302089391 30.974 > 25 28 P 0.08153722574972 0.12343133153699 0.64173302089391 30.974 > 25 29 P 0.08153722574972 0.45676466487033 0.64173302089391 30.974 > 25 30 P 0.08153722574972 0.79009799820366 0.64173302089391 30.974 > 25 31 P 0.58153722574971 0.04323533512967 0.35826697910609 30.974 > 31 32 P 0.58153722574971 0.37656866846301 0.35826697910609 30.974 > 31 33 P 0.58153722574971 0.70990200179634 0.35826697910609 30.974 > 31 34 P 0.58153722574971 0.04323533512967 0.85826697910609 30.974 > 31 35 P 0.58153722574971 0.37656866846301 0.85826697910609 30.974 > 31 36 P 0.58153722574971 0.70990200179634 0.85826697910609 30.974 > 31 37 P 0.41846277425029 0.04323533512967 0.39173302089391 30.974 > 37 38 P 0.41846277425029 0.37656866846301 0.39173302089391 30.974 > 37 39 P 0.41846277425029 0.70990200179634 0.39173302089391 30.974 > 37 40 P 0.41846277425029 0.04323533512967 0.89173302089391 30.974 > 37 41 P 0.41846277425029 0.37656866846301 0.89173302089391 30.974 > 37 42 P 0.41846277425029 0.70990200179634 0.89173302089391 30.974 > 37 43 P 0.91846277425029 0.20990200179634 0.35826697910609 30.974 > 43 44 P 0.91846277425029 0.54323533512967 0.35826697910609 30.974 > 43 45 P 0.91846277425029 0.87656866846301 0.35826697910609 30.974 > 43 46 P 0.91846277425029 0.20990200179634 0.85826697910609 30.974 > 43 47 P 0.91846277425029 0.54323533512967 0.85826697910609 30.974 > 43 48 P 0.91846277425029 0.87656866846301 0.85826697910609 30.974 > 43 49 S 0.65368209490518 0.12153510594544 0.47694867982590 32.065 > 49 50 S 0.65368209490518 0.45486843927877 0.47694867982590 32.065 > 49 51 S 0.65368209490518 0.78820177261211 0.47694867982590 32.065 > 49 52 S 0.65368209490518 0.12153510594544 0.97694867982590 32.065 > 49 53 S 0.65368209490518 0.45486843927877 0.97694867982590 32.065 > 49 54 S 0.65368209490518 0.78820177261211 0.97694867982590 32.065 > 49 55 S 0.15368209490518 0.04513156072123 0.02305132017410 32.065 > 55 56 S 0.15368209490518 0.37846489405456 0.02305132017410 32.065 > 55 57 S 0.15368209490518 0.71179822738789 0.02305132017410 32.065 > 55 58 S 0.15368209490518 0.04513156072123 0.52305132017410 32.065 > 55 59 S 0.15368209490518 0.37846489405456 0.52305132017410 32.065 > 55 60 S 0.15368209490518 0.71179822738789 0.52305132017410 32.065 > 55 61 S 0.84631790509482 0.04513156072123 0.22694867982590 32.065 > 61 62 S 0.84631790509482 0.37846489405456 0.22694867982590 32.065 > 61 63 S 0.84631790509482 0.71179822738789 0.22694867982590 32.065 > 61 64 S 0.84631790509482 0.04513156072123 0.72694867982590 32.065 > 61 65 S 0.84631790509482 0.37846489405456 0.72694867982590 32.065 > 61 66 S 0.84631790509482 0.71179822738789 0.72694867982590 32.065 > 61 67 S 0.65368209490518 0.21179822738789 0.22694867982590 32.065 > 67 68 S 0.65368209490518 0.54513156072123 0.22694867982590 32.065 > 67 69 S 0.65368209490518 0.87846489405456 0.22694867982590 32.065 > 67 70 S 0.65368209490518 0.21179822738789 0.72694867982590 32.065 > 67 71 S 0.65368209490518 0.54513156072123 0.72694867982590 32.065 > 67 72 S 0.65368209490518 0.87846489405456 0.72694867982590 32.065 > 67 73 S 0.15368209490518 0.28820177261211 0.27305132017410 32.065 > 73 74 S 0.15368209490518 0.62153510594544 0.27305132017410 32.065 > 73 75 S 0.15368209490518 0.95486843927877 0.27305132017410 32.065 > 73 76 S 0.15368209490518 0.28820177261211 0.77305132017410 32.065 > 73 77 S 0.15368209490518 0.62153510594544 0.77305132017410 32.065 > 73 78 S 0.15368209490518 0.95486843927877 0.77305132017410 32.065 > 73 79 S 0.84631790509482 0.28820177261211 0.47694867982590 32.065 > 79 80 S 0.84631790509482 0.62153510594544 0.47694867982590 32.065 > 79 81 S 0.84631790509482 0.95486843927877 0.47694867982590 32.065 > 79 82 S 0.84631790509482 0.28820177261211 0.97694867982590 32.065 > 79 83 S 0.84631790509482 0.62153510594544 0.97694867982590 32.065 > 79 84 S 0.84631790509482 0.95486843927877 0.97694867982590 32.065 > 79 85 S 0.34631790509482 0.12153510594544 0.27305132017410 32.065 > 85 86 S 0.34631790509482 0.45486843927877 0.27305132017410 32.065 > 85 87 S 0.34631790509482 0.78820177261211 0.27305132017410 32.065 > 85 88 S 0.34631790509482 0.12153510594544 0.77305132017410 32.065 > 85 89 S 0.34631790509482 0.45486843927877 0.77305132017410 32.065 > 85 90 S 0.34631790509482 0.78820177261211 0.77305132017410 32.065 > 85 91 S 0.34631790509482 0.21179822738789 0.02305132017410 32.065 > 91 92 S 0.34631790509482 0.54513156072123 0.02305132017410 32.065 > 91 93 S 0.34631790509482 0.87846489405456 0.02305132017410 32.065 > 91 94 S 0.34631790509482 0.21179822738789 0.52305132017410 32.065 > 91 95 S 0.34631790509482 0.54513156072123 0.52305132017410 32.065 > 91 96 S 0.34631790509482 0.87846489405456 0.52305132017410 32.065 > 91 97 Pd 0.38729605351827 0.25025614267156 0.33070542586237 106.420 > 97 98 Pd 0.38729605351827 0.58358947600489 0.33070542586237 106.420 > 97 99 Pd 0.38729605351827 0.91692280933823 0.33070542586237 106.420 > 97 100 Pd 0.38729605351827 0.25025614267156 0.83070542586237 106.420 > 97 101 Pd 0.38729605351827 0.58358947600489 0.83070542586237 106.420 > 97 102 Pd 0.38729605351827 0.91692280933823 0.83070542586237 106.420 > 97 103 Pd 0.61270394648173 0.25025614267156 0.41929457413763 106.420 > 103 104 Pd 0.61270394648173 0.58358947600489 0.41929457413763 106.420 > 103 105 Pd 0.61270394648173 0.91692280933823 0.41929457413763 106.420 > 103 106 Pd 0.61270394648173 0.25025614267156 0.91929457413763 106.420 > 103 107 Pd 0.61270394648173 0.58358947600489 0.91929457413763 106.420 > 103 108 Pd 0.61270394648173 0.91692280933823 0.91929457413763 106.420 > 103 109 Pd 0.11270394648173 0.24974385732844 0.08070542586237 106.420 > 109 110 Pd 0.11270394648173 0.58307719066177 0.08070542586237 106.420 > 109 111 Pd 0.11270394648173 0.91641052399511 0.08070542586237 106.420 > 109 112 Pd 0.11270394648173 0.24974385732844 0.58070542586237 106.420 > 109 113 Pd 0.11270394648173 0.58307719066177 0.58070542586237 106.420 > 109 114 Pd 0.11270394648173 0.91641052399511 0.58070542586237 106.420 > 109 115 Pd 0.88729605351827 0.24974385732844 0.16929457413763 106.420 > 115 116 Pd 0.88729605351827 0.58307719066177 0.16929457413763 106.420 > 115 117 Pd 0.88729605351827 0.91641052399511 0.16929457413763 106.420 > 115 118 Pd 0.88729605351827 0.24974385732844 0.66929457413763 106.420 > 115 119 Pd 0.88729605351827 0.58307719066177 0.66929457413763 106.420 > 115 120 Pd 0.88729605351827 0.91641052399511 0.66929457413763 106.420 > 115 121 Pd 0.61270394648173 0.08307719066177 0.16929457413763 106.420 > 121 122 Pd 0.61270394648173 0.41641052399511 0.16929457413763 106.420 > 121 123 Pd 0.61270394648173 0.74974385732844 0.16929457413763 106.420 > 121 124 Pd 0.61270394648173 0.08307719066177 0.66929457413763 106.420 > 121 125 Pd 0.61270394648173 0.41641052399511 0.66929457413763 106.420 > 121 126 Pd 0.61270394648173 0.74974385732844 0.66929457413763 106.420 > 121 127 Pd 0.38729605351827 0.08307719066177 0.08070542586237 106.420 > 127 128 Pd 0.38729605351827 0.41641052399511 0.08070542586237 106.420 > 127 129 Pd 0.38729605351827 0.74974385732844 0.08070542586237 106.420 > 127 130 Pd 0.38729605351827 0.08307719066177 0.58070542586237 106.420 > 127 131 Pd 0.38729605351827 0.41641052399511 0.58070542586237 106.420 > 127 132 Pd 0.38729605351827 0.74974385732844 0.58070542586237 106.420 > 127 133 Pd 0.88729605351827 0.08358947600489 0.41929457413763 106.420 > 133 134 Pd 0.88729605351827 0.41692280933823 0.41929457413763 106.420 > 133 135 Pd 0.88729605351827 0.75025614267156 0.41929457413763 106.420 > 133 136 Pd 0.88729605351827 0.08358947600489 0.91929457413763 106.420 > 133 137 Pd 0.88729605351827 0.41692280933823 0.91929457413763 106.420 > 133 138 Pd 0.88729605351827 0.75025614267156 0.91929457413763 106.420 > 133 139 Pd 0.11270394648173 0.08358947600489 0.33070542586237 106.420 > 139 140 Pd 0.11270394648173 0.41692280933823 0.33070542586237 106.420 > 139 141 Pd 0.11270394648173 0.75025614267156 0.33070542586237 106.420 > 139 142 Pd 0.11270394648173 0.08358947600489 0.83070542586237 106.420 > 139 143 Pd 0.11270394648173 0.41692280933823 0.83070542586237 106.420 > 139 144 Pd 0.11270394648173 0.75025614267156 0.83070542586237 106.420 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.2561717 0.0000000 0.0000000 0.0000000 15.8653582 0.0000000 0.0000000 0.0000000 16.0914457 -------------------------- Born effective charges -------------------------- 1 P 0.6382683 -0.4688884 0.1389403 -0.6271406 2.2820705 -0.9476485 0.2339774 -0.5445428 2.3076841 2 P 0.6382683 0.4688884 0.1389403 0.6271406 2.2820705 0.9476485 0.2339774 0.5445428 2.3076841 3 P 0.6382683 0.4688884 -0.1389403 0.6271406 2.2820705 -0.9476485 -0.2339774 -0.5445428 2.3076841 4 P 0.6382683 0.4688884 -0.1389403 0.6271406 2.2820705 -0.9476485 -0.2339774 -0.5445428 2.3076841 5 P 0.6382683 -0.4688884 -0.1389403 -0.6271406 2.2820705 0.9476485 -0.2339774 0.5445428 2.3076841 6 P 0.6382683 0.4688884 0.1389403 0.6271406 2.2820705 0.9476485 0.2339774 0.5445428 2.3076841 7 P 0.6382683 -0.4688884 0.1389403 -0.6271406 2.2820705 -0.9476485 0.2339774 -0.5445428 2.3076841 8 P 0.6382683 -0.4688884 -0.1389403 -0.6271406 2.2820705 0.9476485 -0.2339774 0.5445428 2.3076841 9 S -0.6399959 -0.1677669 0.0324207 -0.1651737 -0.8277174 0.3183375 -0.4122790 0.5553033 -0.7161213 10 S -0.6399959 0.1677669 -0.0324207 0.1651737 -0.8277174 0.3183375 0.4122790 0.5553033 -0.7161213 11 S -0.6399959 -0.1677669 -0.0324207 -0.1651737 -0.8277174 -0.3183375 0.4122790 -0.5553033 -0.7161213 12 S -0.6399959 0.1677669 0.0324207 0.1651737 -0.8277174 -0.3183375 -0.4122790 -0.5553033 -0.7161213 13 S -0.6399959 -0.1677669 -0.0324207 -0.1651737 -0.8277174 -0.3183375 0.4122790 -0.5553033 -0.7161213 14 S -0.6399959 0.1677669 -0.0324207 0.1651737 -0.8277174 0.3183375 0.4122790 0.5553033 -0.7161213 15 S -0.6399959 0.1677669 0.0324207 0.1651737 -0.8277174 -0.3183375 -0.4122790 -0.5553033 -0.7161213 16 S -0.6399959 -0.1677669 0.0324207 -0.1651737 -0.8277174 0.3183375 -0.4122790 0.5553033 -0.7161213 17 Pd 0.0017276 -0.2212373 0.0292856 0.1407662 -1.4543531 0.2078323 0.2427036 -0.2098744 -1.5915627 18 Pd 0.0017276 0.2212373 0.0292856 -0.1407662 -1.4543531 -0.2078323 0.2427036 0.2098744 -1.5915627 19 Pd 0.0017276 -0.2212373 -0.0292856 0.1407662 -1.4543531 -0.2078323 -0.2427036 0.2098744 -1.5915627 20 Pd 0.0017276 0.2212373 -0.0292856 -0.1407662 -1.4543531 0.2078323 -0.2427036 -0.2098744 -1.5915627 21 Pd 0.0017276 -0.2212373 0.0292856 0.1407662 -1.4543531 0.2078323 0.2427036 -0.2098744 -1.5915627 22 Pd 0.0017276 0.2212373 0.0292856 -0.1407662 -1.4543531 -0.2078323 0.2427036 0.2098744 -1.5915627 23 Pd 0.0017276 -0.2212373 -0.0292856 0.1407662 -1.4543531 -0.2078323 -0.2427036 0.2098744 -1.5915627 24 Pd 0.0017276 0.2212373 -0.0292856 -0.1407662 -1.4543531 0.2078323 -0.2427036 -0.2098744 -1.5915627 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 9 ] 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: 0.55, Number of G-points: 295, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 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 0.534 ( 0.000 0.000 0.000) 0.000 0.635 ( 0.000 0.000 0.000) 0.000 1.173 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 4.510 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 9.493 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 10.746 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 13.086 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 13.929 ( 0.000 0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 14.064 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 10.786 0.000 0.000) 10.786 0.227 ( 11.741 0.000 0.000) 11.741 0.492 ( 19.058 0.000 0.000) 19.058 0.515 ( 1.087 0.000 0.000) 1.087 0.579 ( -5.779 0.000 0.000) 5.779 1.106 ( -7.452 0.000 0.000) 7.452 1.576 ( 0.295 0.000 0.000) 0.295 1.577 ( 0.170 0.000 0.000) 0.170 1.967 ( 0.353 0.000 0.000) 0.353 1.982 ( -0.301 0.000 0.000) 0.301 2.861 ( 0.692 0.000 0.000) 0.692 2.926 ( -2.005 0.000 0.000) 2.005 2.950 ( 0.219 0.000 0.000) 0.219 2.963 ( -0.442 0.000 0.000) 0.442 3.000 ( 1.395 0.000 0.000) 1.395 3.061 ( -1.258 0.000 0.000) 1.258 4.558 ( 3.653 0.000 0.000) 3.653 4.752 ( 0.794 0.000 0.000) 0.794 4.780 ( -6.386 0.000 0.000) 6.386 4.788 ( -0.743 0.000 0.000) 0.743 4.994 ( 1.815 0.000 0.000) 1.815 5.029 ( -0.310 0.000 0.000) 0.310 5.159 ( 0.327 0.000 0.000) 0.327 5.175 ( -0.359 0.000 0.000) 0.359 5.373 ( 0.058 0.000 0.000) 0.058 5.376 ( -0.046 0.000 0.000) 0.046 6.046 ( -2.613 0.000 0.000) 2.613 6.056 ( -1.609 0.000 0.000) 1.609 6.264 ( -0.196 0.000 0.000) 0.196 6.277 ( -0.607 0.000 0.000) 0.607 6.408 ( 7.594 0.000 0.000) 7.594 6.552 ( -0.494 0.000 0.000) 0.494 6.601 ( 2.983 0.000 0.000) 2.983 6.719 ( -2.108 0.000 0.000) 2.108 6.959 ( 3.303 0.000 0.000) 3.303 7.187 ( -5.821 0.000 0.000) 5.821 8.479 ( 2.787 0.000 0.000) 2.787 8.597 ( -2.248 0.000 0.000) 2.248 8.694 ( 0.595 0.000 0.000) 0.595 8.722 ( -0.586 0.000 0.000) 0.586 8.903 ( -0.008 0.000 0.000) 0.008 8.904 ( -0.052 0.000 0.000) 0.052 9.507 ( 1.327 0.000 0.000) 1.327 9.566 ( -1.189 0.000 0.000) 1.189 10.360 ( 0.048 0.000 0.000) 0.048 10.364 ( -0.125 0.000 0.000) 0.125 10.457 ( 0.090 0.000 0.000) 0.090 10.460 ( -0.050 0.000 0.000) 0.050 10.669 ( 0.545 0.000 0.000) 0.545 10.694 ( -0.542 0.000 0.000) 0.542 10.729 ( 0.295 0.000 0.000) 0.295 10.743 ( -0.292 0.000 0.000) 0.292 11.430 ( 0.295 0.000 0.000) 0.295 11.444 ( -0.304 0.000 0.000) 0.304 11.751 ( 0.175 0.000 0.000) 0.175 11.759 ( -0.155 0.000 0.000) 0.155 12.652 ( 0.389 0.000 0.000) 0.389 12.671 ( -0.402 0.000 0.000) 0.402 13.092 ( 0.645 0.000 0.000) 0.645 13.094 ( 0.142 0.000 0.000) 0.142 13.106 ( -0.429 0.000 0.000) 0.429 13.123 ( -0.675 0.000 0.000) 0.675 13.180 ( 1.436 0.000 0.000) 1.436 13.240 ( -1.185 0.000 0.000) 1.185 13.827 ( 1.558 0.000 0.000) 1.558 13.904 ( -1.955 0.000 0.000) 1.955 13.987 ( 1.915 0.000 0.000) 1.915 14.053 ( -1.175 0.000 0.000) 1.175 14.093 ( 0.111 0.000 0.000) 0.111 14.097 ( -0.085 0.000 0.000) 0.085 14.191 ( 0.020 0.000 0.000) 0.020 14.200 ( -0.298 0.000 0.000) 0.298 ======================= Grid point 2 (3/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -8.107 0.000 0.000) 8.107 0.393 ( 8.107 0.000 0.000) 8.107 0.430 ( -9.736 0.000 0.000) 9.736 0.430 ( 9.736 0.000 0.000) 9.736 0.884 ( -16.440 0.000 0.000) 16.440 0.884 ( 16.440 0.000 0.000) 16.440 1.579 ( -0.039 0.000 0.000) 0.039 1.579 ( 0.039 0.000 0.000) 0.039 1.975 ( -0.428 0.000 0.000) 0.428 1.975 ( 0.428 0.000 0.000) 0.428 2.886 ( -1.906 0.000 0.000) 1.906 2.886 ( 1.906 0.000 0.000) 1.906 2.956 ( -0.372 0.000 0.000) 0.372 2.956 ( 0.372 0.000 0.000) 0.372 3.031 ( -1.787 0.000 0.000) 1.787 3.031 ( 1.787 0.000 0.000) 1.787 4.655 ( -6.371 0.000 0.000) 6.371 4.655 ( 6.371 0.000 0.000) 6.371 4.770 ( -1.093 0.000 0.000) 1.093 4.770 ( 1.093 0.000 0.000) 1.093 5.019 ( -0.875 0.000 0.000) 0.875 5.019 ( 0.875 0.000 0.000) 0.875 5.167 ( -0.477 0.000 0.000) 0.477 5.167 ( 0.477 0.000 0.000) 0.477 5.375 ( -0.063 0.000 0.000) 0.063 5.375 ( 0.063 0.000 0.000) 0.063 6.029 ( -0.717 0.000 0.000) 0.717 6.029 ( 0.717 0.000 0.000) 0.717 6.266 ( -0.445 0.000 0.000) 0.445 6.266 ( 0.445 0.000 0.000) 0.445 6.519 ( -3.643 0.000 0.000) 3.643 6.519 ( 3.643 0.000 0.000) 3.643 6.665 ( -3.455 0.000 0.000) 3.455 6.665 ( 3.455 0.000 0.000) 3.455 7.058 ( -6.959 0.000 0.000) 6.959 7.058 ( 6.959 0.000 0.000) 6.959 8.541 ( -3.476 0.000 0.000) 3.476 8.541 ( 3.476 0.000 0.000) 3.476 8.708 ( -0.839 0.000 0.000) 0.839 8.708 ( 0.839 0.000 0.000) 0.839 8.904 ( -0.027 0.000 0.000) 0.027 8.904 ( 0.027 0.000 0.000) 0.027 9.537 ( -1.772 0.000 0.000) 1.772 9.537 ( 1.772 0.000 0.000) 1.772 10.362 ( -0.122 0.000 0.000) 0.122 10.362 ( 0.122 0.000 0.000) 0.122 10.459 ( -0.099 0.000 0.000) 0.099 10.459 ( 0.099 0.000 0.000) 0.099 10.682 ( -0.768 0.000 0.000) 0.768 10.682 ( 0.768 0.000 0.000) 0.768 10.736 ( -0.416 0.000 0.000) 0.416 10.736 ( 0.416 0.000 0.000) 0.416 11.437 ( -0.423 0.000 0.000) 0.423 11.437 ( 0.423 0.000 0.000) 0.423 11.755 ( -0.233 0.000 0.000) 0.233 11.755 ( 0.233 0.000 0.000) 0.233 12.661 ( -0.558 0.000 0.000) 0.558 12.661 ( 0.558 0.000 0.000) 0.558 13.098 ( -0.312 0.000 0.000) 0.312 13.098 ( 0.312 0.000 0.000) 0.312 13.108 ( -0.933 0.000 0.000) 0.933 13.108 ( 0.933 0.000 0.000) 0.933 13.211 ( -1.761 0.000 0.000) 1.761 13.211 ( 1.761 0.000 0.000) 1.761 13.864 ( -2.203 0.000 0.000) 2.203 13.864 ( 2.203 0.000 0.000) 2.203 14.023 ( -1.875 0.000 0.000) 1.875 14.023 ( 1.875 0.000 0.000) 1.875 14.095 ( -0.138 0.000 0.000) 0.138 14.095 ( 0.138 0.000 0.000) 0.138 14.194 ( -0.254 0.000 0.000) 0.254 14.194 ( 0.254 0.000 0.000) 0.254 ======================= Grid point 5 (4/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 0.000 16.300 0.000) 16.300 0.740 ( 0.000 37.630 0.000) 37.630 0.905 ( 0.000 30.099 0.000) 30.099 1.136 ( 0.000 -1.006 0.000) 1.006 1.307 ( 0.000 63.175 0.000) 63.175 1.363 ( 0.000 51.271 0.000) 51.271 1.971 ( 0.000 33.840 0.000) 33.840 2.056 ( 0.000 39.351 0.000) 39.351 2.070 ( 0.000 10.132 0.000) 10.132 2.094 ( 0.000 10.482 0.000) 10.482 2.780 ( 0.000 -4.376 0.000) 4.376 2.819 ( 0.000 -5.646 0.000) 5.646 2.974 ( 0.000 1.038 0.000) 1.038 3.027 ( 0.000 3.467 0.000) 3.467 3.074 ( 0.000 0.606 0.000) 0.606 3.098 ( 0.000 5.456 0.000) 5.456 4.530 ( 0.000 1.195 0.000) 1.195 4.607 ( 0.000 -12.557 0.000) 12.557 4.714 ( 0.000 -7.382 0.000) 7.382 4.899 ( 0.000 3.443 0.000) 3.443 4.943 ( 0.000 -2.663 0.000) 2.663 4.999 ( 0.000 -3.471 0.000) 3.471 5.176 ( 0.000 1.969 0.000) 1.969 5.216 ( 0.000 2.340 0.000) 2.340 5.269 ( 0.000 -10.140 0.000) 10.140 5.274 ( 0.000 -9.910 0.000) 9.910 5.899 ( 0.000 -12.158 0.000) 12.158 5.972 ( 0.000 -10.392 0.000) 10.392 6.182 ( 0.000 -3.836 0.000) 3.836 6.305 ( 0.000 -1.747 0.000) 1.747 6.476 ( 0.000 10.619 0.000) 10.619 6.606 ( 0.000 4.853 0.000) 4.853 6.709 ( 0.000 10.716 0.000) 10.716 6.847 ( 0.000 8.996 0.000) 8.996 6.983 ( 0.000 4.861 0.000) 4.861 7.228 ( 0.000 4.598 0.000) 4.598 8.413 ( 0.000 -3.758 0.000) 3.758 8.561 ( 0.000 -4.956 0.000) 4.956 8.681 ( 0.000 -1.817 0.000) 1.817 8.809 ( 0.000 -4.972 0.000) 4.972 8.851 ( 0.000 -5.093 0.000) 5.093 8.857 ( 0.000 -4.655 0.000) 4.655 9.449 ( 0.000 -4.369 0.000) 4.369 9.521 ( 0.000 -5.267 0.000) 5.267 10.373 ( 0.000 0.741 0.000) 0.741 10.381 ( 0.000 2.032 0.000) 2.032 10.462 ( 0.000 0.533 0.000) 0.533 10.473 ( 0.000 1.750 0.000) 1.750 10.648 ( 0.000 -1.432 0.000) 1.432 10.683 ( 0.000 -1.619 0.000) 1.619 10.722 ( 0.000 -0.413 0.000) 0.413 10.737 ( 0.000 -0.806 0.000) 0.806 11.449 ( 0.000 2.159 0.000) 2.159 11.466 ( 0.000 1.841 0.000) 1.841 11.769 ( 0.000 1.934 0.000) 1.934 11.774 ( 0.000 1.718 0.000) 1.718 12.681 ( 0.000 0.499 0.000) 0.499 12.782 ( 0.000 -1.236 0.000) 1.236 13.077 ( 0.000 -0.032 0.000) 0.032 13.125 ( 0.000 -0.171 0.000) 0.171 13.126 ( 0.000 3.152 0.000) 3.152 13.142 ( 0.000 2.992 0.000) 2.992 13.253 ( 0.000 7.613 0.000) 7.613 13.284 ( 0.000 7.160 0.000) 7.160 13.817 ( 0.000 0.288 0.000) 0.288 13.947 ( 0.000 1.696 0.000) 1.696 13.989 ( 0.000 -1.856 0.000) 1.856 14.081 ( 0.000 1.582 0.000) 1.582 14.114 ( 0.000 2.155 0.000) 2.155 14.120 ( 0.000 2.170 0.000) 2.170 14.217 ( 0.000 1.450 0.000) 1.450 14.353 ( 0.000 -1.194 0.000) 1.194 ======================= Grid point 6 (5/75) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 17.725 8.215 0.000) 19.537 0.769 ( 2.876 36.093 0.000) 36.207 0.887 ( -2.011 30.606 0.000) 30.672 1.055 ( -8.075 2.604 0.000) 8.484 1.325 ( 1.815 60.553 0.000) 60.580 1.372 ( 0.350 49.844 0.000) 49.845 1.984 ( 1.261 34.549 0.000) 34.572 2.043 ( -1.284 38.183 0.000) 38.205 2.074 ( 0.354 10.524 0.000) 10.530 2.090 ( -0.395 10.439 0.000) 10.446 2.780 ( 0.126 -4.336 0.000) 4.338 2.809 ( -0.982 -5.333 0.000) 5.423 2.986 ( 1.167 1.202 0.000) 1.675 3.021 ( -0.424 3.428 0.000) 3.454 3.071 ( -0.388 1.467 0.000) 1.518 3.086 ( -1.069 5.134 0.000) 5.244 4.569 ( 3.957 0.705 0.000) 4.019 4.621 ( 1.389 -11.840 0.000) 11.921 4.703 ( -1.117 -7.559 0.000) 7.641 4.820 ( -6.399 2.966 0.000) 7.053 4.968 ( 1.214 -2.879 0.000) 3.125 4.995 ( -0.411 -3.532 0.000) 3.556 5.184 ( 0.670 2.230 0.000) 2.329 5.208 ( -0.609 2.552 0.000) 2.624 5.270 ( 0.094 -10.097 0.000) 10.097 5.273 ( -0.078 -9.931 0.000) 9.932 5.900 ( -0.073 -11.983 0.000) 11.983 5.930 ( -2.703 -9.742 0.000) 10.110 6.230 ( 3.153 -3.593 0.000) 4.781 6.285 ( -1.239 -0.223 0.000) 1.259 6.499 ( 2.247 8.707 0.000) 8.992 6.583 ( -1.805 5.011 0.000) 5.326 6.748 ( 3.281 10.272 0.000) 10.784 6.844 ( -0.764 9.921 0.000) 9.951 7.006 ( 2.876 4.325 0.000) 5.194 7.198 ( -3.780 3.279 0.000) 5.004 8.436 ( 2.427 -3.860 0.000) 4.559 8.543 ( -1.925 -4.745 0.000) 5.121 8.686 ( 0.696 -1.807 0.000) 1.936 8.761 ( -3.433 -1.912 0.000) 3.930 8.852 ( 0.114 -4.977 0.000) 4.978 8.857 ( -0.084 -4.653 0.000) 4.654 9.460 ( 1.144 -4.539 0.000) 4.681 9.512 ( -0.977 -5.230 0.000) 5.321 10.373 ( 0.043 0.905 0.000) 0.906 10.379 ( -0.184 1.787 0.000) 1.797 10.464 ( 0.271 0.737 0.000) 0.785 10.473 ( -0.049 1.461 0.000) 1.461 10.653 ( 0.510 -1.426 0.000) 1.515 10.678 ( -0.502 -1.573 0.000) 1.651 10.724 ( 0.228 -0.479 0.000) 0.531 10.735 ( -0.227 -0.756 0.000) 0.789 11.452 ( 0.241 2.111 0.000) 2.125 11.464 ( -0.255 1.885 0.000) 1.902 11.770 ( 0.117 1.885 0.000) 1.888 11.774 ( -0.032 1.677 0.000) 1.677 12.682 ( 0.140 0.818 0.000) 0.830 12.731 ( -3.323 2.106 0.000) 3.934 13.083 ( 0.646 0.002 0.000) 0.646 13.115 ( -0.725 0.543 0.000) 0.906 13.132 ( 0.222 2.566 0.000) 2.575 13.140 ( -0.204 3.071 0.000) 3.078 13.263 ( 0.992 7.326 0.000) 7.393 13.293 ( 0.261 6.122 0.000) 6.127 13.832 ( 1.584 0.268 0.000) 1.606 13.918 ( -2.415 0.604 0.000) 2.489 14.007 ( 1.477 0.271 0.000) 1.502 14.068 ( -1.281 1.440 0.000) 1.927 14.114 ( 0.043 2.102 0.000) 2.102 14.119 ( -0.068 2.159 0.000) 2.160 14.219 ( 0.201 1.788 0.000) 1.800 14.283 ( -4.418 3.441 0.000) 5.600 ======================= Grid point 7 (6/75) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -3.440 32.725 0.000) 32.905 0.833 ( 3.440 32.725 0.000) 32.905 0.846 ( -14.134 4.999 0.000) 14.992 0.846 ( 14.134 4.999 0.000) 14.992 1.361 ( -1.525 54.108 0.000) 54.129 1.361 ( 1.525 54.108 0.000) 54.129 2.013 ( -1.754 36.523 0.000) 36.565 2.013 ( 1.754 36.523 0.000) 36.565 2.081 ( -0.448 10.298 0.000) 10.308 2.081 ( 0.448 10.298 0.000) 10.308 2.789 ( -0.905 -4.720 0.000) 4.806 2.789 ( 0.905 -4.720 0.000) 4.806 3.009 ( -1.036 2.039 0.000) 2.287 3.009 ( 1.036 2.039 0.000) 2.287 3.069 ( -0.456 3.749 0.000) 3.777 3.069 ( 0.456 3.749 0.000) 3.777 4.642 ( -0.842 -7.356 0.000) 7.404 4.642 ( 0.842 -7.356 0.000) 7.404 4.703 ( -3.966 -0.393 0.000) 3.986 4.703 ( 3.966 -0.393 0.000) 3.986 4.985 ( -0.712 -3.503 0.000) 3.575 4.985 ( 0.712 -3.503 0.000) 3.575 5.196 ( -0.624 2.465 0.000) 2.542 5.196 ( 0.624 2.465 0.000) 2.542 5.272 ( -0.109 -10.003 0.000) 10.004 5.272 ( 0.109 -10.003 0.000) 10.004 5.900 ( -0.505 -10.552 0.000) 10.564 5.900 ( 0.505 -10.552 0.000) 10.564 6.267 ( -1.018 -1.148 0.000) 1.534 6.267 ( 1.018 -1.148 0.000) 1.534 6.545 ( -2.330 5.581 0.000) 6.048 6.545 ( 2.330 5.581 0.000) 6.048 6.809 ( -2.848 10.313 0.000) 10.700 6.809 ( 2.848 10.313 0.000) 10.700 7.096 ( -6.164 3.806 0.000) 7.244 7.096 ( 6.164 3.806 0.000) 7.244 8.493 ( -3.189 -4.303 0.000) 5.356 8.493 ( 3.189 -4.303 0.000) 5.356 8.710 ( -1.919 -1.537 0.000) 2.459 8.710 ( 1.919 -1.537 0.000) 2.459 8.854 ( -0.149 -4.766 0.000) 4.769 8.854 ( 0.149 -4.766 0.000) 4.769 9.487 ( -1.531 -4.914 0.000) 5.147 9.487 ( 1.531 -4.914 0.000) 5.147 10.375 ( -0.166 1.300 0.000) 1.310 10.375 ( 0.166 1.300 0.000) 1.310 10.470 ( -0.283 1.123 0.000) 1.158 10.470 ( 0.283 1.123 0.000) 1.158 10.666 ( -0.722 -1.482 0.000) 1.649 10.666 ( 0.722 -1.482 0.000) 1.649 10.730 ( -0.319 -0.623 0.000) 0.700 10.730 ( 0.319 -0.623 0.000) 0.700 11.458 ( -0.348 1.996 0.000) 2.026 11.458 ( 0.348 1.996 0.000) 2.026 11.772 ( -0.134 1.767 0.000) 1.772 11.772 ( 0.134 1.767 0.000) 1.772 12.691 ( -1.071 1.791 0.000) 2.087 12.691 ( 1.071 1.791 0.000) 2.087 13.099 ( -0.932 0.137 0.000) 0.942 13.099 ( 0.932 0.137 0.000) 0.942 13.136 ( -0.226 3.049 0.000) 3.057 13.136 ( 0.226 3.049 0.000) 3.057 13.284 ( -1.037 6.645 0.000) 6.725 13.284 ( 1.037 6.645 0.000) 6.725 13.871 ( -2.422 0.317 0.000) 2.443 13.871 ( 2.422 0.317 0.000) 2.443 14.038 ( -1.785 1.152 0.000) 2.124 14.038 ( 1.785 1.152 0.000) 2.124 14.117 ( -0.182 2.065 0.000) 2.073 14.117 ( 0.182 2.065 0.000) 2.073 14.231 ( -1.378 2.881 0.000) 3.193 14.231 ( 1.378 2.881 0.000) 3.193 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 18.100 0.000) 18.100 1.151 ( 0.000 2.830 0.000) 2.830 1.482 ( 0.000 37.410 0.000) 37.410 1.559 ( 0.000 34.773 0.000) 34.773 2.173 ( 0.000 16.055 0.000) 16.055 2.260 ( 0.000 15.132 0.000) 15.132 2.362 ( 0.000 24.373 0.000) 24.373 2.389 ( 0.000 25.033 0.000) 25.033 2.567 ( 0.000 15.797 0.000) 15.797 2.683 ( 0.000 10.488 0.000) 10.488 2.880 ( 0.000 17.469 0.000) 17.469 2.881 ( 0.000 23.592 0.000) 23.592 3.106 ( 0.000 7.158 0.000) 7.158 3.190 ( 0.000 30.139 0.000) 30.139 3.203 ( 0.000 7.188 0.000) 7.188 3.214 ( 0.000 20.424 0.000) 20.424 4.311 ( 0.000 -15.882 0.000) 15.882 4.484 ( 0.000 -7.794 0.000) 7.794 4.575 ( 0.000 -5.475 0.000) 5.475 4.840 ( 0.000 -8.440 0.000) 8.440 4.873 ( 0.000 -10.017 0.000) 10.017 4.940 ( 0.000 -1.481 0.000) 1.481 5.012 ( 0.000 -14.054 0.000) 14.054 5.018 ( 0.000 -14.212 0.000) 14.212 5.221 ( 0.000 2.243 0.000) 2.243 5.261 ( 0.000 1.906 0.000) 1.906 5.673 ( 0.000 -9.532 0.000) 9.532 5.760 ( 0.000 -9.734 0.000) 9.734 6.147 ( 0.000 0.416 0.000) 0.416 6.280 ( 0.000 -0.459 0.000) 0.459 6.700 ( 0.000 11.614 0.000) 11.614 6.733 ( 0.000 7.745 0.000) 7.745 6.918 ( 0.000 9.945 0.000) 9.945 7.030 ( 0.000 8.553 0.000) 8.553 7.101 ( 0.000 6.754 0.000) 6.754 7.331 ( 0.000 5.188 0.000) 5.188 8.311 ( 0.000 -6.222 0.000) 6.222 8.442 ( 0.000 -6.840 0.000) 6.840 8.599 ( 0.000 -6.487 0.000) 6.487 8.672 ( 0.000 -8.568 0.000) 8.568 8.722 ( 0.000 -7.430 0.000) 7.430 8.737 ( 0.000 -7.012 0.000) 7.012 9.332 ( 0.000 -7.135 0.000) 7.135 9.382 ( 0.000 -8.370 0.000) 8.370 10.394 ( 0.000 1.335 0.000) 1.335 10.434 ( 0.000 3.142 0.000) 3.142 10.474 ( 0.000 0.600 0.000) 0.600 10.516 ( 0.000 2.339 0.000) 2.339 10.616 ( 0.000 -1.677 0.000) 1.677 10.644 ( 0.000 -2.031 0.000) 2.031 10.708 ( 0.000 -0.943 0.000) 0.943 10.716 ( 0.000 -1.284 0.000) 1.284 11.504 ( 0.000 3.163 0.000) 3.163 11.514 ( 0.000 2.818 0.000) 2.818 11.821 ( 0.000 3.178 0.000) 3.178 11.821 ( 0.000 2.906 0.000) 2.906 12.687 ( 0.000 -0.028 0.000) 0.028 12.748 ( 0.000 -2.074 0.000) 2.074 13.082 ( 0.000 0.260 0.000) 0.260 13.122 ( 0.000 -0.335 0.000) 0.335 13.204 ( 0.000 4.424 0.000) 4.424 13.217 ( 0.000 4.228 0.000) 4.228 13.435 ( 0.000 10.284 0.000) 10.284 13.464 ( 0.000 10.471 0.000) 10.471 13.812 ( 0.000 -0.983 0.000) 0.983 13.935 ( 0.000 -3.649 0.000) 3.649 13.988 ( 0.000 2.270 0.000) 2.270 14.115 ( 0.000 1.576 0.000) 1.576 14.170 ( 0.000 3.292 0.000) 3.292 14.180 ( 0.000 3.756 0.000) 3.756 14.256 ( 0.000 2.328 0.000) 2.328 14.333 ( 0.000 -0.578 0.000) 0.578 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 9.976 13.715 0.000) 16.959 1.102 ( -5.312 3.989 0.000) 6.643 1.495 ( 1.265 37.007 0.000) 37.029 1.549 ( -0.994 35.103 0.000) 35.117 2.184 ( 1.158 15.812 0.000) 15.854 2.246 ( -1.363 15.185 0.000) 15.246 2.363 ( 0.195 24.134 0.000) 24.135 2.382 ( -0.643 24.564 0.000) 24.572 2.585 ( 1.783 15.080 0.000) 15.185 2.666 ( -1.699 11.387 0.000) 11.513 2.880 ( 0.007 18.305 0.000) 18.305 2.880 ( -0.042 22.650 0.000) 22.650 3.117 ( 1.234 7.902 0.000) 7.998 3.187 ( -1.598 8.815 0.000) 8.959 3.196 ( 0.605 27.404 0.000) 27.411 3.214 ( -0.084 21.554 0.000) 21.554 4.341 ( 3.028 -15.089 0.000) 15.390 4.471 ( -2.015 -10.344 0.000) 10.539 4.604 ( 3.799 -3.464 0.000) 5.141 4.829 ( -2.486 -5.903 0.000) 6.405 4.871 ( -0.233 -9.730 0.000) 9.733 4.885 ( -3.760 -4.123 0.000) 5.580 5.013 ( 0.083 -14.166 0.000) 14.167 5.017 ( -0.109 -14.351 0.000) 14.351 5.230 ( 0.737 2.008 0.000) 2.139 5.255 ( -0.520 1.917 0.000) 1.986 5.678 ( 0.576 -9.304 0.000) 9.322 5.732 ( -2.230 -9.003 0.000) 9.275 6.188 ( 3.384 -0.320 0.000) 3.399 6.272 ( -0.908 -0.372 0.000) 0.981 6.701 ( 0.145 10.994 0.000) 10.995 6.722 ( -0.897 8.405 0.000) 8.453 6.949 ( 2.856 9.615 0.000) 10.030 7.043 ( -0.045 9.579 0.000) 9.580 7.109 ( 2.190 5.681 0.000) 6.088 7.291 ( -4.094 5.155 0.000) 6.583 8.334 ( 2.258 -6.253 0.000) 6.648 8.427 ( -1.613 -6.726 0.000) 6.917 8.603 ( 0.593 -6.582 0.000) 6.608 8.655 ( -1.594 -7.853 0.000) 8.013 8.725 ( 0.324 -7.338 0.000) 7.345 8.736 ( -0.142 -7.086 0.000) 7.088 9.339 ( 0.750 -7.353 0.000) 7.391 9.375 ( -0.726 -8.231 0.000) 8.263 10.397 ( 0.373 1.469 0.000) 1.516 10.423 ( -0.858 2.468 0.000) 2.613 10.484 ( 0.847 1.209 0.000) 1.476 10.511 ( -0.452 2.121 0.000) 2.168 10.621 ( 0.518 -1.617 0.000) 1.698 10.641 ( -0.345 -1.899 0.000) 1.930 10.709 ( 0.079 -1.027 0.000) 1.030 10.714 ( -0.144 -1.268 0.000) 1.276 11.506 ( 0.136 3.114 0.000) 3.117 11.512 ( -0.152 2.870 0.000) 2.874 11.821 ( 0.014 3.130 0.000) 3.130 11.821 ( 0.008 2.934 0.000) 2.934 12.691 ( 0.467 -0.020 0.000) 0.467 12.732 ( -1.431 -1.218 0.000) 1.879 13.088 ( 0.615 0.200 0.000) 0.647 13.117 ( -0.551 -0.221 0.000) 0.594 13.207 ( 0.259 4.376 0.000) 4.383 13.216 ( -0.124 4.268 0.000) 4.269 13.441 ( 0.577 10.151 0.000) 10.167 13.462 ( -0.242 10.184 0.000) 10.187 13.826 ( 1.413 -1.150 0.000) 1.822 13.905 ( -2.332 -2.264 0.000) 3.250 14.018 ( 2.315 1.224 0.000) 2.619 14.100 ( -1.557 1.495 0.000) 2.158 14.170 ( 0.043 3.354 0.000) 3.354 14.178 ( -0.228 3.632 0.000) 3.639 14.262 ( 0.642 2.404 0.000) 2.488 14.313 ( -1.749 0.713 0.000) 1.889 ======================= Grid point 12 (9/75) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -9.999 7.623 0.000) 12.574 0.955 ( 9.999 7.623 0.000) 12.574 1.524 ( -1.620 36.016 0.000) 36.052 1.524 ( 1.620 36.016 0.000) 36.052 2.214 ( -1.867 15.403 0.000) 15.515 2.214 ( 1.867 15.403 0.000) 15.515 2.370 ( -0.534 24.002 0.000) 24.008 2.370 ( 0.534 24.002 0.000) 24.008 2.626 ( -2.400 13.304 0.000) 13.519 2.626 ( 2.400 13.304 0.000) 13.519 2.880 ( -0.012 20.421 0.000) 20.421 2.880 ( 0.012 20.421 0.000) 20.421 3.150 ( -2.090 8.626 0.000) 8.876 3.150 ( 2.090 8.626 0.000) 8.876 3.209 ( -0.557 24.611 0.000) 24.617 3.209 ( 0.557 24.611 0.000) 24.617 4.411 ( -3.975 -13.104 0.000) 13.694 4.411 ( 3.975 -13.104 0.000) 13.694 4.715 ( -7.333 -2.017 0.000) 7.606 4.715 ( 7.333 -2.017 0.000) 7.606 4.866 ( -0.196 -9.073 0.000) 9.075 4.866 ( 0.196 -9.073 0.000) 9.075 5.015 ( -0.133 -14.332 0.000) 14.333 5.015 ( 0.133 -14.332 0.000) 14.333 5.243 ( -0.708 1.876 0.000) 2.005 5.243 ( 0.708 1.876 0.000) 2.005 5.696 ( -1.420 -8.821 0.000) 8.935 5.696 ( 1.420 -8.821 0.000) 8.935 6.244 ( -2.247 -0.519 0.000) 2.306 6.244 ( 2.247 -0.519 0.000) 2.306 6.707 ( -0.554 9.668 0.000) 9.684 6.707 ( 0.554 9.668 0.000) 9.684 7.008 ( -3.010 9.409 0.000) 9.879 7.008 ( 3.010 9.409 0.000) 9.879 7.193 ( -5.734 5.466 0.000) 7.922 7.193 ( 5.734 5.466 0.000) 7.922 8.384 ( -2.794 -6.457 0.000) 7.036 8.384 ( 2.794 -6.457 0.000) 7.036 8.623 ( -1.535 -6.960 0.000) 7.127 8.623 ( 1.535 -6.960 0.000) 7.127 8.732 ( -0.324 -7.187 0.000) 7.195 8.732 ( 0.324 -7.187 0.000) 7.195 9.357 ( -1.053 -7.830 0.000) 7.900 9.357 ( 1.053 -7.830 0.000) 7.900 10.408 ( -0.731 1.841 0.000) 1.981 10.408 ( 0.731 1.841 0.000) 1.981 10.500 ( -0.762 1.727 0.000) 1.887 10.500 ( 0.762 1.727 0.000) 1.887 10.632 ( -0.589 -1.669 0.000) 1.770 10.632 ( 0.589 -1.669 0.000) 1.770 10.711 ( -0.155 -1.183 0.000) 1.193 10.711 ( 0.155 -1.183 0.000) 1.193 11.509 ( -0.201 2.993 0.000) 3.000 11.509 ( 0.201 2.993 0.000) 3.000 11.821 ( -0.006 3.023 0.000) 3.023 11.821 ( 0.006 3.023 0.000) 3.023 12.706 ( -1.168 -0.248 0.000) 1.194 12.706 ( 1.168 -0.248 0.000) 1.194 13.103 ( -0.844 0.020 0.000) 0.844 13.103 ( 0.844 0.020 0.000) 0.844 13.212 ( -0.253 4.326 0.000) 4.333 13.212 ( 0.253 4.326 0.000) 4.333 13.454 ( -0.649 9.979 0.000) 10.000 13.454 ( 0.649 9.979 0.000) 10.000 13.861 ( -2.254 -1.573 0.000) 2.749 13.861 ( 2.254 -1.573 0.000) 2.749 14.062 ( -2.308 1.259 0.000) 2.629 14.062 ( 2.308 1.259 0.000) 2.629 14.173 ( -0.265 3.475 0.000) 3.485 14.173 ( 0.265 3.475 0.000) 3.485 14.281 ( -1.440 2.134 0.000) 2.574 14.281 ( 1.440 2.134 0.000) 2.574 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 17.869 0.000) 17.869 1.245 ( 0.000 6.440 0.000) 6.440 2.198 ( 0.000 33.393 0.000) 33.393 2.228 ( 0.000 -1.875 0.000) 1.875 2.234 ( 0.000 31.536 0.000) 31.536 2.285 ( 0.000 -3.450 0.000) 3.450 2.582 ( 0.000 -5.290 0.000) 5.290 2.652 ( 0.000 -5.719 0.000) 5.719 2.759 ( 0.000 13.359 0.000) 13.359 2.761 ( 0.000 12.260 0.000) 12.260 3.196 ( 0.000 13.443 0.000) 13.443 3.236 ( 0.000 14.051 0.000) 14.051 3.621 ( 0.000 31.872 0.000) 31.872 3.701 ( 0.000 37.365 0.000) 37.365 3.779 ( 0.000 26.288 0.000) 26.288 3.819 ( 0.000 22.399 0.000) 22.399 4.020 ( 0.000 -13.989 0.000) 13.989 4.249 ( 0.000 -15.615 0.000) 15.615 4.418 ( 0.000 -10.236 0.000) 10.236 4.600 ( 0.000 -15.291 0.000) 15.291 4.600 ( 0.000 -16.942 0.000) 16.942 4.769 ( 0.000 -4.743 0.000) 4.743 4.848 ( 0.000 0.812 0.000) 0.812 4.859 ( 0.000 -7.414 0.000) 7.414 5.257 ( 0.000 1.244 0.000) 1.244 5.279 ( 0.000 -0.222 0.000) 0.222 5.531 ( 0.000 -5.649 0.000) 5.649 5.606 ( 0.000 -6.671 0.000) 6.671 6.189 ( 0.000 3.223 0.000) 3.223 6.283 ( 0.000 0.386 0.000) 0.386 6.895 ( 0.000 8.189 0.000) 8.189 6.912 ( 0.000 9.269 0.000) 9.269 7.091 ( 0.000 7.448 0.000) 7.448 7.164 ( 0.000 5.030 0.000) 5.030 7.239 ( 0.000 6.780 0.000) 6.780 7.409 ( 0.000 2.344 0.000) 2.344 8.190 ( 0.000 -5.306 0.000) 5.306 8.304 ( 0.000 -6.749 0.000) 6.749 8.441 ( 0.000 -8.798 0.000) 8.798 8.488 ( 0.000 -9.503 0.000) 9.503 8.581 ( 0.000 -6.297 0.000) 6.297 8.600 ( 0.000 -6.382 0.000) 6.382 9.188 ( 0.000 -6.897 0.000) 6.897 9.213 ( 0.000 -8.042 0.000) 8.042 10.422 ( 0.000 1.468 0.000) 1.468 10.480 ( 0.000 -0.107 0.000) 0.107 10.496 ( 0.000 2.927 0.000) 2.927 10.555 ( 0.000 1.377 0.000) 1.377 10.589 ( 0.000 -0.871 0.000) 0.871 10.610 ( 0.000 -1.361 0.000) 1.361 10.689 ( 0.000 -0.895 0.000) 0.895 10.692 ( 0.000 -1.054 0.000) 1.054 11.565 ( 0.000 2.747 0.000) 2.747 11.569 ( 0.000 2.538 0.000) 2.538 11.882 ( 0.000 3.039 0.000) 3.039 11.886 ( 0.000 3.129 0.000) 3.129 12.680 ( 0.000 -0.563 0.000) 0.563 12.706 ( 0.000 -1.988 0.000) 1.988 13.082 ( 0.000 -0.279 0.000) 0.279 13.109 ( 0.000 -0.979 0.000) 0.979 13.288 ( 0.000 3.833 0.000) 3.833 13.296 ( 0.000 3.588 0.000) 3.588 13.634 ( 0.000 9.300 0.000) 9.300 13.667 ( 0.000 9.351 0.000) 9.351 13.780 ( 0.000 -2.041 0.000) 2.041 13.851 ( 0.000 -4.593 0.000) 4.593 14.028 ( 0.000 1.697 0.000) 1.697 14.132 ( 0.000 -0.158 0.000) 0.158 14.235 ( 0.000 3.100 0.000) 3.100 14.255 ( 0.000 3.355 0.000) 3.355 14.302 ( 0.000 2.238 0.000) 2.238 14.336 ( 0.000 0.773 0.000) 0.773 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 4.225 15.461 0.000) 16.028 1.219 ( -2.815 7.525 0.000) 8.035 2.204 ( 0.690 32.813 0.000) 32.820 2.231 ( -0.392 31.831 0.000) 31.833 2.233 ( 0.589 -1.752 0.000) 1.848 2.274 ( -1.086 -3.183 0.000) 3.363 2.592 ( 0.993 -5.290 0.000) 5.383 2.641 ( -1.107 -5.471 0.000) 5.582 2.759 ( -0.029 13.113 0.000) 13.113 2.760 ( -0.077 12.455 0.000) 12.456 3.200 ( 0.434 13.394 0.000) 13.401 3.229 ( -0.737 13.793 0.000) 13.813 3.625 ( 0.541 32.439 0.000) 32.443 3.675 ( -1.938 35.312 0.000) 35.365 3.804 ( 1.805 27.224 0.000) 27.284 3.828 ( 0.576 24.367 0.000) 24.374 4.053 ( 3.481 -15.334 0.000) 15.724 4.223 ( -3.125 -15.213 0.000) 15.530 4.453 ( 4.085 -11.185 0.000) 11.907 4.596 ( -0.592 -15.563 0.000) 15.574 4.609 ( 0.920 -15.738 0.000) 15.765 4.734 ( -4.383 -7.202 0.000) 8.431 4.834 ( -1.270 -4.232 0.000) 4.419 4.841 ( -0.660 0.188 0.000) 0.687 5.260 ( 0.267 0.997 0.000) 1.033 5.275 ( -0.393 0.013 0.000) 0.393 5.540 ( 0.881 -5.645 0.000) 5.713 5.591 ( -1.409 -6.226 0.000) 6.383 6.212 ( 2.128 2.318 0.000) 3.147 6.276 ( -0.786 0.518 0.000) 0.942 6.893 ( -0.125 8.361 0.000) 8.362 6.905 ( -0.606 9.058 0.000) 9.078 7.117 ( 2.528 7.340 0.000) 7.763 7.199 ( 3.073 5.350 0.000) 6.170 7.223 ( -1.236 6.285 0.000) 6.405 7.374 ( -3.591 2.777 0.000) 4.540 8.211 ( 2.030 -5.521 0.000) 5.882 8.292 ( -1.331 -6.503 0.000) 6.638 8.444 ( 0.410 -8.899 0.000) 8.909 8.479 ( -0.949 -9.359 0.000) 9.407 8.585 ( 0.394 -6.316 0.000) 6.328 8.598 ( -0.203 -6.374 0.000) 6.377 9.191 ( 0.341 -7.089 0.000) 7.097 9.209 ( -0.422 -7.900 0.000) 7.911 10.427 ( 0.504 1.454 0.000) 1.538 10.462 ( -1.218 1.111 0.000) 1.648 10.511 ( 1.014 1.543 0.000) 1.847 10.545 ( -0.808 1.026 0.000) 1.306 10.598 ( 0.696 -0.521 0.000) 0.870 10.611 ( 0.039 -1.062 0.000) 1.063 10.688 ( -0.077 -0.981 0.000) 0.984 10.690 ( -0.157 -1.091 0.000) 1.103 11.565 ( 0.057 2.719 0.000) 2.719 11.568 ( -0.066 2.571 0.000) 2.572 11.882 ( 0.062 3.054 0.000) 3.055 11.885 ( -0.049 3.118 0.000) 3.119 12.683 ( 0.280 -0.676 0.000) 0.732 12.701 ( -0.502 -1.661 0.000) 1.735 13.086 ( 0.435 -0.391 0.000) 0.585 13.105 ( -0.367 -0.894 0.000) 0.966 13.290 ( 0.188 3.798 0.000) 3.802 13.296 ( -0.053 3.628 0.000) 3.628 13.638 ( 0.416 9.153 0.000) 9.163 13.662 ( -0.546 9.194 0.000) 9.211 13.789 ( 1.002 -2.189 0.000) 2.408 13.839 ( -1.144 -3.889 0.000) 4.054 14.045 ( 1.611 1.192 0.000) 2.004 14.117 ( -1.490 0.011 0.000) 1.490 14.237 ( 0.200 3.173 0.000) 3.180 14.251 ( -0.369 3.330 0.000) 3.351 14.307 ( 0.489 2.122 0.000) 2.178 14.331 ( -0.520 1.112 0.000) 1.228 ======================= Grid point 17 (12/75) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -4.927 10.857 0.000) 11.923 1.144 ( 4.927 10.857 0.000) 11.923 2.219 ( -0.783 32.638 0.000) 32.647 2.219 ( 0.783 32.638 0.000) 32.647 2.250 ( -1.249 -2.730 0.000) 3.002 2.250 ( 1.249 -2.730 0.000) 3.002 2.616 ( -1.454 -5.288 0.000) 5.484 2.616 ( 1.454 -5.288 0.000) 5.484 2.759 ( -0.024 12.789 0.000) 12.789 2.759 ( 0.024 12.789 0.000) 12.789 3.212 ( -0.882 13.450 0.000) 13.479 3.212 ( 0.882 13.450 0.000) 13.479 3.643 ( -1.400 33.709 0.000) 33.739 3.643 ( 1.400 33.709 0.000) 33.739 3.829 ( -0.650 26.359 0.000) 26.367 3.829 ( 0.650 26.359 0.000) 26.367 4.139 ( -5.203 -15.655 0.000) 16.497 4.139 ( 5.203 -15.655 0.000) 16.497 4.554 ( -4.974 -13.738 0.000) 14.610 4.554 ( 4.974 -13.738 0.000) 14.610 4.641 ( -3.274 -11.579 0.000) 12.034 4.641 ( 3.274 -11.579 0.000) 12.034 4.830 ( -0.426 -1.309 0.000) 1.377 4.830 ( 0.426 -1.309 0.000) 1.377 5.267 ( -0.452 0.507 0.000) 0.679 5.267 ( 0.452 0.507 0.000) 0.679 5.562 ( -1.453 -5.753 0.000) 5.934 5.562 ( 1.453 -5.753 0.000) 5.934 6.252 ( -1.803 1.081 0.000) 2.103 6.252 ( 1.803 1.081 0.000) 2.103 6.895 ( -0.373 8.698 0.000) 8.706 6.895 ( 0.373 8.698 0.000) 8.706 7.172 ( -2.971 7.194 0.000) 7.783 7.172 ( 2.971 7.194 0.000) 7.783 7.288 ( -5.043 3.747 0.000) 6.282 7.288 ( 5.043 3.747 0.000) 6.282 8.255 ( -2.428 -6.003 0.000) 6.475 8.255 ( 2.428 -6.003 0.000) 6.475 8.458 ( -1.081 -9.105 0.000) 9.169 8.458 ( 1.081 -9.105 0.000) 9.169 8.593 ( -0.389 -6.347 0.000) 6.359 8.593 ( 0.389 -6.347 0.000) 6.359 9.200 ( -0.545 -7.519 0.000) 7.539 9.200 ( 0.545 -7.519 0.000) 7.539 10.441 ( -0.959 1.385 0.000) 1.685 10.441 ( 0.959 1.385 0.000) 1.685 10.529 ( -0.890 1.026 0.000) 1.358 10.529 ( 0.890 1.026 0.000) 1.358 10.609 ( -0.324 -0.568 0.000) 0.654 10.609 ( 0.324 -0.568 0.000) 0.654 10.688 ( -0.056 -1.108 0.000) 1.109 10.688 ( 0.056 -1.108 0.000) 1.109 11.567 ( -0.086 2.648 0.000) 2.649 11.567 ( 0.086 2.648 0.000) 2.649 11.884 ( -0.079 3.088 0.000) 3.089 11.884 ( 0.079 3.088 0.000) 3.089 12.691 ( -0.537 -1.064 0.000) 1.192 12.691 ( 0.537 -1.064 0.000) 1.192 13.096 ( -0.573 -0.655 0.000) 0.871 13.096 ( 0.573 -0.655 0.000) 0.871 13.294 ( -0.176 3.715 0.000) 3.719 13.294 ( 0.176 3.715 0.000) 3.719 13.649 ( -0.699 9.025 0.000) 9.052 13.649 ( 0.699 9.025 0.000) 9.052 13.813 ( -1.453 -2.802 0.000) 3.156 13.813 ( 1.453 -2.802 0.000) 3.156 14.081 ( -2.108 0.466 0.000) 2.159 14.081 ( 2.108 0.466 0.000) 2.159 14.243 ( -0.412 3.284 0.000) 3.310 14.243 ( 0.412 3.284 0.000) 3.310 14.319 ( -0.674 1.723 0.000) 1.850 14.319 ( 0.674 1.723 0.000) 1.850 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 10.457 0.000) 10.457 1.365 ( 0.000 3.772 0.000) 3.772 2.199 ( 0.000 -0.346 0.000) 0.346 2.221 ( 0.000 -2.438 0.000) 2.438 2.367 ( 0.000 -4.701 0.000) 4.701 2.394 ( 0.000 -6.492 0.000) 6.492 2.885 ( 0.000 2.282 0.000) 2.282 2.891 ( 0.000 1.843 0.000) 1.843 2.924 ( 0.000 27.335 0.000) 27.335 2.936 ( 0.000 27.448 0.000) 27.448 3.566 ( 0.000 20.663 0.000) 20.663 3.592 ( 0.000 19.733 0.000) 19.733 3.652 ( 0.000 -20.430 0.000) 20.430 3.703 ( 0.000 -23.773 0.000) 23.773 4.001 ( 0.000 -3.017 0.000) 3.017 4.048 ( 0.000 5.915 0.000) 5.915 4.069 ( 0.000 -9.999 0.000) 9.999 4.192 ( 0.000 -7.185 0.000) 7.185 4.330 ( 0.000 12.973 0.000) 12.973 4.381 ( 0.000 1.061 0.000) 1.061 4.384 ( 0.000 3.832 0.000) 3.832 4.600 ( 0.000 -12.972 0.000) 12.972 4.985 ( 0.000 14.094 0.000) 14.094 5.018 ( 0.000 11.359 0.000) 11.359 5.259 ( 0.000 -1.088 0.000) 1.088 5.261 ( 0.000 -0.752 0.000) 0.752 5.413 ( 0.000 -6.025 0.000) 6.025 5.452 ( 0.000 -8.855 0.000) 8.855 6.251 ( 0.000 2.601 0.000) 2.601 6.283 ( 0.000 -0.661 0.000) 0.661 7.026 ( 0.000 4.246 0.000) 4.246 7.039 ( 0.000 3.092 0.000) 3.092 7.203 ( 0.000 3.661 0.000) 3.661 7.227 ( 0.000 1.213 0.000) 1.213 7.353 ( 0.000 4.663 0.000) 4.663 7.416 ( 0.000 -1.576 0.000) 1.576 8.134 ( 0.000 0.240 0.000) 0.240 8.192 ( 0.000 -4.648 0.000) 4.648 8.300 ( 0.000 -3.741 0.000) 3.741 8.328 ( 0.000 -5.842 0.000) 5.842 8.494 ( 0.000 -2.120 0.000) 2.120 8.504 ( 0.000 -3.010 0.000) 3.010 9.086 ( 0.000 -2.823 0.000) 2.823 9.093 ( 0.000 -3.582 0.000) 3.582 10.449 ( 0.000 1.218 0.000) 1.218 10.470 ( 0.000 -0.840 0.000) 0.840 10.543 ( 0.000 1.818 0.000) 1.818 10.565 ( 0.000 -0.343 0.000) 0.343 10.582 ( 0.000 0.091 0.000) 0.091 10.590 ( 0.000 -0.688 0.000) 0.688 10.677 ( 0.000 -0.289 0.000) 0.289 10.678 ( 0.000 -0.356 0.000) 0.356 11.604 ( 0.000 1.115 0.000) 1.115 11.605 ( 0.000 0.998 0.000) 0.998 11.929 ( 0.000 1.463 0.000) 1.463 11.932 ( 0.000 1.252 0.000) 1.252 12.671 ( 0.000 -0.223 0.000) 0.223 12.677 ( 0.000 -0.906 0.000) 0.906 13.078 ( 0.000 0.072 0.000) 0.072 13.088 ( 0.000 -0.933 0.000) 0.933 13.346 ( 0.000 1.742 0.000) 1.742 13.349 ( 0.000 1.450 0.000) 1.450 13.749 ( 0.000 -0.563 0.000) 0.563 13.772 ( 0.000 -2.926 0.000) 2.926 13.779 ( 0.000 4.782 0.000) 4.782 13.799 ( 0.000 3.163 0.000) 3.163 14.061 ( 0.000 1.943 0.000) 1.943 14.107 ( 0.000 -2.226 0.000) 2.226 14.284 ( 0.000 1.670 0.000) 1.670 14.295 ( 0.000 0.639 0.000) 0.639 14.340 ( 0.000 1.427 0.000) 1.427 14.351 ( 0.000 0.366 0.000) 0.366 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.827 9.216 0.000) 9.253 1.356 ( -0.915 4.475 0.000) 4.567 2.199 ( 0.026 -0.644 0.000) 0.645 2.214 ( -0.580 -2.163 0.000) 2.240 2.375 ( 0.741 -4.861 0.000) 4.917 2.394 ( -0.054 -6.133 0.000) 6.133 2.884 ( -0.040 3.146 0.000) 3.147 2.889 ( -0.205 2.340 0.000) 2.349 2.929 ( 0.371 26.531 0.000) 26.533 2.936 ( -0.028 27.109 0.000) 27.109 3.568 ( 0.220 20.462 0.000) 20.463 3.588 ( -0.486 20.099 0.000) 20.105 3.669 ( 1.550 -21.516 0.000) 21.572 3.704 ( -0.069 -23.311 0.000) 23.311 3.996 ( 0.317 -3.389 0.000) 3.404 4.054 ( -1.462 -8.729 0.000) 8.850 4.088 ( 3.449 6.453 0.000) 7.317 4.220 ( 1.412 -7.475 0.000) 7.607 4.281 ( -2.397 12.385 0.000) 12.614 4.369 ( -1.437 0.228 0.000) 1.455 4.421 ( 2.626 2.213 0.000) 3.434 4.559 ( -3.951 -10.717 0.000) 11.422 4.988 ( 0.326 13.811 0.000) 13.815 5.011 ( -0.684 11.891 0.000) 11.911 5.261 ( 0.164 -0.887 0.000) 0.902 5.262 ( 0.069 -0.668 0.000) 0.671 5.416 ( 0.366 -6.595 0.000) 6.605 5.444 ( -0.813 -8.531 0.000) 8.569 6.259 ( 0.717 1.941 0.000) 2.070 6.281 ( -0.255 -0.297 0.000) 0.391 7.022 ( -0.212 4.038 0.000) 4.043 7.032 ( -0.626 3.230 0.000) 3.290 7.230 ( 2.565 3.815 0.000) 4.597 7.259 ( 3.077 0.907 0.000) 3.208 7.335 ( -1.925 4.501 0.000) 4.896 7.391 ( -2.591 -1.066 0.000) 2.801 8.148 ( 1.354 -0.235 0.000) 1.374 8.191 ( -0.240 -3.686 0.000) 3.694 8.297 ( -0.152 -4.312 0.000) 4.315 8.319 ( -0.858 -5.827 0.000) 5.890 8.496 ( 0.240 -2.262 0.000) 2.275 8.503 ( -0.060 -2.876 0.000) 2.876 9.086 ( 0.033 -2.942 0.000) 2.942 9.091 ( -0.170 -3.481 0.000) 3.486 10.452 ( 0.288 1.032 0.000) 1.072 10.467 ( -0.313 -0.403 0.000) 0.511 10.539 ( -0.240 1.076 0.000) 1.102 10.551 ( -0.861 -0.203 0.000) 0.885 10.597 ( 0.895 0.078 0.000) 0.899 10.599 ( 0.669 -0.242 0.000) 0.712 10.675 ( -0.220 -0.340 0.000) 0.405 10.675 ( -0.233 -0.388 0.000) 0.453 11.604 ( 0.015 1.099 0.000) 1.099 11.605 ( -0.017 1.016 0.000) 1.017 11.930 ( 0.048 1.435 0.000) 1.436 11.931 ( -0.024 1.286 0.000) 1.286 12.671 ( 0.067 -0.304 0.000) 0.312 12.676 ( -0.109 -0.785 0.000) 0.793 13.080 ( 0.168 -0.082 0.000) 0.186 13.087 ( -0.139 -0.793 0.000) 0.805 13.347 ( 0.119 1.706 0.000) 1.710 13.349 ( 0.032 1.496 0.000) 1.497 13.743 ( -0.312 -0.069 0.000) 0.320 13.758 ( -1.004 -1.470 0.000) 1.780 13.792 ( 1.015 3.835 0.000) 3.967 13.807 ( 0.439 2.413 0.000) 2.453 14.065 ( 0.493 1.194 0.000) 1.292 14.098 ( -0.854 -1.747 0.000) 1.944 14.285 ( 0.169 1.569 0.000) 1.578 14.294 ( -0.174 0.840 0.000) 0.858 14.342 ( 0.157 1.233 0.000) 1.243 14.349 ( -0.150 0.494 0.000) 0.516 ======================= Grid point 22 (15/75) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.256 6.578 0.000) 6.697 1.335 ( 1.256 6.578 0.000) 6.697 2.203 ( -0.480 -1.395 0.000) 1.475 2.203 ( 0.480 -1.395 0.000) 1.475 2.389 ( -0.571 -5.423 0.000) 5.453 2.389 ( 0.571 -5.423 0.000) 5.453 2.885 ( -0.173 3.239 0.000) 3.243 2.885 ( 0.173 3.239 0.000) 3.243 2.934 ( -0.178 26.428 0.000) 26.428 2.934 ( 0.178 26.428 0.000) 26.428 3.576 ( -0.649 20.406 0.000) 20.416 3.576 ( 0.649 20.406 0.000) 20.416 3.695 ( -0.955 -22.753 0.000) 22.773 3.695 ( 0.955 -22.753 0.000) 22.773 4.020 ( -1.941 -6.209 0.000) 6.505 4.020 ( 1.941 -6.209 0.000) 6.505 4.165 ( -4.584 7.553 0.000) 8.835 4.165 ( 4.584 7.553 0.000) 8.835 4.321 ( -3.630 -1.793 0.000) 4.049 4.321 ( 3.630 -1.793 0.000) 4.049 4.479 ( -3.870 -3.892 0.000) 5.489 4.479 ( 3.870 -3.892 0.000) 5.489 4.997 ( -0.663 12.972 0.000) 12.989 4.997 ( 0.663 12.972 0.000) 12.989 5.263 ( -0.013 -0.633 0.000) 0.633 5.263 ( 0.013 -0.633 0.000) 0.633 5.427 ( -0.817 -7.694 0.000) 7.737 5.427 ( 0.817 -7.694 0.000) 7.737 6.272 ( -0.639 0.682 0.000) 0.935 6.272 ( 0.639 0.682 0.000) 0.935 7.022 ( -0.278 3.608 0.000) 3.619 7.022 ( 0.278 3.608 0.000) 3.619 7.286 ( -3.067 4.150 0.000) 5.160 7.286 ( 3.067 4.150 0.000) 5.160 7.328 ( -3.873 0.014 0.000) 3.873 7.328 ( 3.873 0.014 0.000) 3.873 8.176 ( -1.352 -1.610 0.000) 2.102 8.176 ( 1.352 -1.610 0.000) 2.102 8.302 ( -0.752 -5.453 0.000) 5.505 8.302 ( 0.752 -5.453 0.000) 5.505 8.501 ( -0.198 -2.571 0.000) 2.579 8.501 ( 0.198 -2.571 0.000) 2.579 9.088 ( -0.146 -3.221 0.000) 3.224 9.088 ( 0.146 -3.221 0.000) 3.224 10.459 ( -0.445 0.448 0.000) 0.632 10.459 ( 0.445 0.448 0.000) 0.632 10.540 ( -0.336 0.184 0.000) 0.383 10.540 ( 0.336 0.184 0.000) 0.383 10.606 ( -0.034 0.093 0.000) 0.099 10.606 ( 0.034 0.093 0.000) 0.099 10.672 ( -0.013 -0.422 0.000) 0.422 10.672 ( 0.013 -0.422 0.000) 0.422 11.605 ( -0.022 1.059 0.000) 1.059 11.605 ( 0.022 1.059 0.000) 1.059 11.931 ( -0.051 1.364 0.000) 1.365 11.931 ( 0.051 1.364 0.000) 1.365 12.673 ( -0.124 -0.525 0.000) 0.539 12.673 ( 0.124 -0.525 0.000) 0.539 13.083 ( -0.217 -0.445 0.000) 0.495 13.083 ( 0.217 -0.445 0.000) 0.495 13.349 ( -0.066 1.607 0.000) 1.608 13.349 ( 0.066 1.607 0.000) 1.608 13.743 ( -0.442 -0.513 0.000) 0.677 13.743 ( 0.442 -0.513 0.000) 0.677 13.807 ( -0.493 3.004 0.000) 3.044 13.807 ( 0.493 3.004 0.000) 3.044 14.079 ( -0.981 -0.421 0.000) 1.067 14.079 ( 0.981 -0.421 0.000) 1.067 14.290 ( -0.251 1.255 0.000) 1.280 14.290 ( 0.251 1.255 0.000) 1.280 14.346 ( -0.217 0.830 0.000) 0.858 14.346 ( 0.217 0.830 0.000) 0.858 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.000 0.000 19.898) 19.898 0.742 ( 0.000 0.000 37.668) 37.668 0.975 ( 0.000 0.000 28.439) 28.439 1.158 ( 0.000 0.000 1.468) 1.468 1.435 ( 0.000 0.000 70.484) 70.484 1.471 ( 0.000 0.000 62.583) 62.583 1.705 ( 0.000 0.000 12.619) 12.619 1.715 ( 0.000 0.000 13.856) 13.856 2.340 ( 0.000 0.000 32.035) 32.035 2.405 ( 0.000 0.000 34.205) 34.205 2.873 ( 0.000 0.000 3.792) 3.792 2.887 ( 0.000 0.000 -4.482) 4.482 2.935 ( 0.000 0.000 -4.047) 4.047 2.961 ( 0.000 0.000 -2.562) 2.562 2.966 ( 0.000 0.000 3.485) 3.485 3.076 ( 0.000 0.000 -0.834) 0.834 4.452 ( 0.000 0.000 -5.747) 5.747 4.748 ( 0.000 0.000 0.125) 0.125 4.776 ( 0.000 0.000 -2.472) 2.472 4.793 ( 0.000 0.000 -7.980) 7.980 4.884 ( 0.000 0.000 -8.087) 8.087 4.942 ( 0.000 0.000 -9.101) 9.101 5.129 ( 0.000 0.000 -0.248) 0.248 5.150 ( 0.000 0.000 -1.129) 1.129 5.465 ( 0.000 0.000 6.498) 6.498 5.478 ( 0.000 0.000 7.486) 7.486 5.971 ( 0.000 0.000 -8.210) 8.210 6.053 ( 0.000 0.000 -8.956) 8.956 6.129 ( 0.000 0.000 -8.769) 8.769 6.195 ( 0.000 0.000 -4.384) 4.384 6.260 ( 0.000 0.000 -4.275) 4.275 6.504 ( 0.000 0.000 -4.861) 4.861 6.778 ( 0.000 0.000 14.976) 14.976 6.874 ( 0.000 0.000 11.134) 11.134 6.997 ( 0.000 0.000 6.027) 6.027 7.233 ( 0.000 0.000 5.157) 5.157 8.402 ( 0.000 0.000 -4.885) 4.885 8.555 ( 0.000 0.000 -6.134) 6.134 8.639 ( 0.000 0.000 -4.825) 4.825 8.670 ( 0.000 0.000 -5.676) 5.676 8.869 ( 0.000 0.000 -3.602) 3.602 8.871 ( 0.000 0.000 -3.273) 3.273 9.509 ( 0.000 0.000 -6.652) 6.652 9.555 ( 0.000 0.000 -8.333) 8.333 10.378 ( 0.000 0.000 1.718) 1.718 10.401 ( 0.000 0.000 2.983) 2.983 10.472 ( 0.000 0.000 1.910) 1.910 10.491 ( 0.000 0.000 2.967) 2.967 10.664 ( 0.000 0.000 0.067) 0.067 10.702 ( 0.000 0.000 0.154) 0.154 10.727 ( 0.000 0.000 0.137) 0.137 10.745 ( 0.000 0.000 -0.057) 0.057 11.474 ( 0.000 0.000 4.661) 4.661 11.498 ( 0.000 0.000 4.968) 4.968 11.792 ( 0.000 0.000 3.633) 3.633 11.920 ( 0.000 0.000 2.369) 2.369 12.615 ( 0.000 0.000 -3.343) 3.343 12.638 ( 0.000 0.000 -3.668) 3.668 13.071 ( 0.000 0.000 -1.798) 1.798 13.110 ( 0.000 0.000 -2.377) 2.377 13.149 ( 0.000 0.000 5.323) 5.323 13.150 ( 0.000 0.000 3.697) 3.697 13.247 ( 0.000 0.000 3.961) 3.961 13.368 ( 0.000 0.000 1.672) 1.672 13.772 ( 0.000 0.000 -3.715) 3.715 13.907 ( 0.000 0.000 -2.278) 2.278 13.927 ( 0.000 0.000 -3.674) 3.674 14.030 ( 0.000 0.000 -2.872) 2.872 14.133 ( 0.000 0.000 4.065) 4.065 14.139 ( 0.000 0.000 3.981) 3.981 14.220 ( 0.000 0.000 2.727) 2.727 14.235 ( 0.000 0.000 3.129) 3.129 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 18.643 0.000 9.996) 21.154 0.776 ( 3.427 0.000 36.007) 36.170 0.940 ( -3.520 0.000 29.560) 29.769 1.088 ( -7.515 0.000 2.818) 8.026 1.444 ( 0.956 0.000 68.891) 68.898 1.473 ( 0.006 0.000 62.423) 62.423 1.709 ( 0.314 0.000 12.748) 12.752 1.716 ( 0.058 0.000 13.614) 13.614 2.354 ( 1.198 0.000 32.307) 32.329 2.398 ( -0.772 0.000 33.925) 33.934 2.881 ( 0.892 0.000 3.983) 4.082 2.893 ( 0.521 0.000 -4.390) 4.420 2.922 ( -0.922 0.000 -3.989) 4.094 2.948 ( -1.837 0.000 3.861) 4.276 2.983 ( 1.887 0.000 -2.425) 3.072 3.061 ( -1.569 0.000 -1.111) 1.923 4.489 ( 3.735 0.000 -6.234) 7.267 4.711 ( -6.572 0.000 -7.165) 9.722 4.753 ( 0.559 0.000 -0.137) 0.575 4.774 ( -0.285 0.000 -1.981) 2.001 4.914 ( 1.589 0.000 -8.428) 8.576 4.940 ( -0.192 0.000 -9.000) 9.002 5.131 ( 0.168 0.000 -0.500) 0.528 5.145 ( -0.443 0.000 -1.132) 1.216 5.466 ( 0.167 0.000 6.611) 6.613 5.475 ( -0.215 0.000 7.298) 7.301 5.965 ( -0.721 0.000 -8.064) 8.096 5.996 ( -3.505 0.000 -7.431) 8.216 6.139 ( 0.984 0.000 -7.917) 7.978 6.186 ( -0.962 0.000 -4.891) 4.985 6.350 ( 6.849 0.000 -5.302) 8.661 6.495 ( -1.002 0.000 -5.063) 5.161 6.793 ( 1.489 0.000 14.296) 14.373 6.861 ( -1.339 0.000 11.592) 11.669 7.024 ( 3.012 0.000 5.933) 6.654 7.204 ( -3.594 0.000 3.986) 5.367 8.424 ( 2.412 0.000 -5.061) 5.607 8.535 ( -2.111 0.000 -6.003) 6.363 8.644 ( 0.483 0.000 -4.926) 4.949 8.666 ( -0.419 0.000 -5.525) 5.541 8.868 ( -0.020 0.000 -3.564) 3.564 8.870 ( -0.084 0.000 -3.349) 3.350 9.503 ( -0.554 0.000 -6.068) 6.093 9.519 ( -2.216 0.000 -5.318) 5.761 10.380 ( 0.211 0.000 1.887) 1.899 10.395 ( -0.499 0.000 2.782) 2.826 10.477 ( 0.443 0.000 2.086) 2.132 10.490 ( -0.121 0.000 2.793) 2.795 10.670 ( 0.546 0.000 0.068) 0.550 10.696 ( -0.563 0.000 0.127) 0.577 10.730 ( 0.279 0.000 0.119) 0.303 10.743 ( -0.256 0.000 -0.015) 0.257 11.478 ( 0.412 0.000 4.696) 4.714 11.495 ( -0.323 0.000 4.941) 4.952 11.797 ( 0.531 0.000 4.016) 4.051 11.866 ( -3.759 0.000 5.649) 6.786 12.618 ( 0.341 0.000 -3.389) 3.406 12.635 ( -0.350 0.000 -3.619) 3.635 13.076 ( 0.571 0.000 -1.876) 1.961 13.104 ( -0.588 0.000 -2.282) 2.357 13.150 ( 0.119 0.000 5.218) 5.220 13.153 ( 0.189 0.000 3.988) 3.993 13.246 ( 0.221 0.000 4.542) 4.547 13.316 ( -3.530 0.000 4.743) 5.912 13.788 ( 1.655 0.000 -3.682) 4.037 13.874 ( -2.326 0.000 -3.116) 3.889 13.957 ( 1.972 0.000 -2.997) 3.587 14.020 ( -1.039 0.000 -2.864) 3.047 14.134 ( 0.099 0.000 4.050) 4.051 14.138 ( -0.071 0.000 3.993) 3.994 14.221 ( 0.110 0.000 2.840) 2.842 14.232 ( -0.324 0.000 3.114) 3.131 ======================= Grid point 47 (18/75) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -4.858 0.000 32.521) 32.882 0.858 ( 4.858 0.000 32.521) 32.882 0.879 ( -14.732 0.000 5.014) 15.562 0.879 ( 14.732 0.000 5.014) 15.562 1.465 ( -0.937 0.000 64.980) 64.987 1.465 ( 0.937 0.000 64.980) 64.987 1.715 ( -0.230 0.000 13.125) 13.127 1.715 ( 0.230 0.000 13.125) 13.127 2.378 ( -1.288 0.000 33.185) 33.210 2.378 ( 1.288 0.000 33.185) 33.210 2.905 ( -0.819 0.000 -4.181) 4.260 2.905 ( 0.819 0.000 -4.181) 4.260 2.909 ( -2.035 0.000 4.216) 4.681 2.909 ( 2.035 0.000 4.216) 4.681 3.023 ( -2.258 0.000 -1.772) 2.870 3.023 ( 2.258 0.000 -1.772) 2.870 4.585 ( -6.314 0.000 -6.705) 9.210 4.585 ( 6.314 0.000 -6.705) 9.210 4.765 ( -0.606 0.000 -0.942) 1.120 4.765 ( 0.606 0.000 -0.942) 1.120 4.933 ( -0.605 0.000 -8.735) 8.755 4.933 ( 0.605 0.000 -8.735) 8.755 5.136 ( -0.425 0.000 -0.946) 1.038 5.136 ( 0.425 0.000 -0.946) 1.038 5.471 ( -0.278 0.000 6.918) 6.923 5.471 ( 0.278 0.000 6.918) 6.923 5.959 ( -0.579 0.000 -7.444) 7.466 5.959 ( 0.579 0.000 -7.444) 7.466 6.163 ( -1.418 0.000 -6.233) 6.392 6.163 ( 1.418 0.000 -6.233) 6.392 6.455 ( -3.757 0.000 -5.633) 6.771 6.455 ( 3.757 0.000 -5.633) 6.771 6.828 ( -2.000 0.000 12.833) 12.987 6.828 ( 2.000 0.000 12.833) 12.987 7.109 ( -5.657 0.000 5.008) 7.555 7.109 ( 5.657 0.000 5.008) 7.555 8.482 ( -3.313 0.000 -5.606) 6.511 8.482 ( 3.313 0.000 -5.606) 6.511 8.655 ( -0.646 0.000 -5.200) 5.240 8.655 ( 0.646 0.000 -5.200) 5.240 8.869 ( -0.071 0.000 -3.476) 3.476 8.869 ( 0.071 0.000 -3.476) 3.476 9.497 ( -0.287 0.000 -5.245) 5.253 9.497 ( 0.287 0.000 -5.245) 5.253 10.386 ( -0.425 0.000 2.278) 2.318 10.386 ( 0.425 0.000 2.278) 2.318 10.485 ( -0.362 0.000 2.504) 2.530 10.485 ( 0.362 0.000 2.504) 2.530 10.683 ( -0.781 0.000 0.086) 0.786 10.683 ( 0.781 0.000 0.086) 0.786 10.736 ( -0.381 0.000 0.064) 0.386 10.736 ( 0.381 0.000 0.064) 0.386 11.487 ( -0.469 0.000 4.843) 4.866 11.487 ( 0.469 0.000 4.843) 4.866 11.816 ( -1.654 0.000 5.152) 5.411 11.816 ( 1.654 0.000 5.152) 5.411 12.626 ( -0.488 0.000 -3.502) 3.536 12.626 ( 0.488 0.000 -3.502) 3.536 13.090 ( -0.821 0.000 -2.070) 2.227 13.090 ( 0.821 0.000 -2.070) 2.227 13.153 ( -0.158 0.000 4.821) 4.824 13.153 ( 0.158 0.000 4.821) 4.824 13.266 ( -1.860 0.000 4.708) 5.062 13.266 ( 1.860 0.000 4.708) 5.062 13.828 ( -2.451 0.000 -3.513) 4.283 13.828 ( 2.451 0.000 -3.513) 4.283 13.993 ( -1.765 0.000 -2.876) 3.374 13.993 ( 1.765 0.000 -2.876) 3.374 14.136 ( -0.128 0.000 4.022) 4.024 14.136 ( 0.128 0.000 4.022) 4.024 14.225 ( -0.334 0.000 3.026) 3.044 14.225 ( 0.334 0.000 3.026) 3.044 ======================= Grid point 50 (19/75) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 12.857 14.757) 19.572 1.153 ( 0.000 0.477 2.890) 2.929 1.213 ( 0.000 30.496 29.749) 42.602 1.322 ( 0.000 25.178 27.174) 37.046 1.778 ( 0.000 30.893 38.451) 49.324 1.783 ( 0.000 35.620 42.659) 55.574 2.049 ( 0.000 27.303 12.917) 30.204 2.120 ( 0.000 30.587 14.278) 33.756 2.432 ( 0.000 9.478 27.613) 29.195 2.501 ( 0.000 10.289 26.920) 28.819 2.794 ( 0.000 -2.014 3.921) 4.408 2.829 ( 0.000 -3.720 2.115) 4.279 2.953 ( 0.000 4.294 0.097) 4.295 3.009 ( 0.000 4.137 -1.089) 4.278 3.054 ( 0.000 4.448 0.676) 4.499 3.116 ( 0.000 4.119 0.664) 4.173 4.472 ( 0.000 1.295 -5.693) 5.838 4.607 ( 0.000 -12.832 -0.304) 12.835 4.676 ( 0.000 -8.961 -4.119) 9.863 4.813 ( 0.000 0.852 -8.056) 8.101 4.906 ( 0.000 1.449 -5.218) 5.415 4.956 ( 0.000 1.480 -6.145) 6.321 5.089 ( 0.000 -4.471 -2.174) 4.972 5.119 ( 0.000 -3.836 -3.446) 5.157 5.408 ( 0.000 -4.974 7.817) 9.265 5.411 ( 0.000 -6.100 8.508) 10.469 5.834 ( 0.000 -11.124 -6.602) 12.936 5.915 ( 0.000 -11.007 -6.597) 12.833 6.104 ( 0.000 -0.871 -5.505) 5.574 6.229 ( 0.000 1.714 -4.328) 4.655 6.381 ( 0.000 9.603 -6.361) 11.519 6.540 ( 0.000 3.964 -5.514) 6.791 6.880 ( 0.000 8.692 13.037) 15.669 6.960 ( 0.000 6.984 9.356) 11.676 7.058 ( 0.000 5.582 6.485) 8.556 7.281 ( 0.000 4.478 5.008) 6.718 8.361 ( 0.000 -3.963 -5.119) 6.474 8.505 ( 0.000 -4.648 -5.574) 7.258 8.616 ( 0.000 -2.852 -6.109) 6.742 8.666 ( 0.000 -2.599 -9.329) 9.685 8.822 ( 0.000 -4.513 -3.501) 5.712 8.824 ( 0.000 -4.626 -3.221) 5.637 9.448 ( 0.000 -7.791 -4.396) 8.946 9.454 ( 0.000 -5.340 -6.712) 8.577 10.393 ( 0.000 1.312 1.879) 2.292 10.410 ( 0.000 1.112 2.766) 2.981 10.483 ( 0.000 0.874 1.991) 2.174 10.501 ( 0.000 1.129 2.661) 2.891 10.654 ( 0.000 -0.973 0.533) 1.109 10.689 ( 0.000 -1.187 0.600) 1.330 10.726 ( 0.000 -0.145 0.369) 0.397 10.740 ( 0.000 -0.511 0.217) 0.555 11.493 ( 0.000 1.868 4.367) 4.750 11.512 ( 0.000 1.446 4.579) 4.802 11.806 ( 0.000 1.414 3.323) 3.611 11.853 ( 0.000 -2.184 5.685) 6.090 12.644 ( 0.000 0.439 -3.744) 3.770 12.669 ( 0.000 2.227 -7.003) 7.348 13.065 ( 0.000 -0.580 -2.064) 2.144 13.100 ( 0.000 -0.580 -2.417) 2.486 13.186 ( 0.000 3.049 3.515) 4.653 13.189 ( 0.000 3.372 5.137) 6.145 13.315 ( 0.000 6.548 3.266) 7.317 13.345 ( 0.000 2.496 5.871) 6.380 13.779 ( 0.000 0.573 -3.443) 3.490 13.925 ( 0.000 1.703 -2.253) 2.825 13.936 ( 0.000 -0.533 -4.484) 4.516 14.053 ( 0.000 1.409 -2.919) 3.242 14.157 ( 0.000 2.469 4.015) 4.713 14.163 ( 0.000 2.395 4.163) 4.802 14.252 ( 0.000 1.691 3.362) 3.763 14.306 ( 0.000 4.093 -0.818) 4.174 ======================= Grid point 51 (20/75) ======================= q-point: ( 0.25 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 14.538 8.129 10.069) 19.463 1.088 ( -6.885 1.611 3.840) 8.046 1.230 ( 1.730 29.677 29.370) 41.789 1.308 ( -1.479 25.660 27.377) 37.552 1.782 ( 0.409 31.401 38.615) 49.773 1.786 ( 0.256 34.447 41.335) 53.807 2.059 ( 1.032 27.739 13.055) 30.675 2.109 ( -1.067 30.106 14.030) 33.232 2.444 ( 1.140 9.412 27.546) 29.132 2.492 ( -0.938 9.997 27.016) 28.821 2.797 ( 0.318 -2.129 3.934) 4.485 2.822 ( -0.712 -3.343 2.522) 4.248 2.967 ( 1.315 4.505 0.520) 4.722 3.009 ( -0.149 4.248 -0.212) 4.256 3.052 ( 0.026 4.509 0.170) 4.512 3.100 ( -1.520 4.071 0.364) 4.361 4.508 ( 3.752 1.207 -5.954) 7.140 4.616 ( 0.799 -11.972 -0.918) 12.033 4.670 ( -0.680 -9.144 -3.623) 9.859 4.746 ( -5.715 1.468 -7.036) 9.183 4.924 ( 1.108 0.492 -5.612) 5.741 4.951 ( -0.466 0.986 -5.973) 6.071 5.093 ( 0.392 -4.199 -2.631) 4.970 5.113 ( -0.550 -3.788 -3.349) 5.086 5.409 ( 0.025 -5.231 7.920) 9.491 5.411 ( -0.036 -5.868 8.352) 10.207 5.833 ( -0.037 -10.756 -6.629) 12.635 5.874 ( -2.828 -10.060 -6.287) 12.195 6.144 ( 2.812 -0.174 -5.909) 6.546 6.215 ( -1.232 1.858 -4.306) 4.849 6.420 ( 3.679 7.280 -5.804) 10.011 6.528 ( -1.287 3.916 -5.298) 6.712 6.897 ( 1.653 8.703 12.176) 15.058 6.958 ( -0.551 8.051 9.706) 12.623 7.076 ( 2.424 4.819 6.225) 8.237 7.246 ( -3.777 4.089 4.728) 7.303 8.384 ( 2.320 -3.950 -5.167) 6.905 8.487 ( -1.907 -4.495 -5.561) 7.400 8.620 ( 0.500 -2.892 -6.201) 6.860 8.655 ( -1.019 -2.586 -8.207) 8.665 8.821 ( -0.045 -4.584 -3.386) 5.699 8.823 ( -0.075 -4.566 -3.339) 5.657 9.440 ( -0.473 -6.416 -4.574) 7.894 9.449 ( -0.504 -5.461 -6.354) 8.394 10.394 ( 0.161 1.284 1.986) 2.371 10.406 ( -0.364 1.183 2.592) 2.872 10.487 ( 0.382 0.865 2.132) 2.332 10.500 ( -0.138 1.054 2.546) 2.759 10.659 ( 0.528 -0.985 0.535) 1.239 10.684 ( -0.517 -1.137 0.579) 1.377 10.728 ( 0.212 -0.207 0.353) 0.461 10.738 ( -0.202 -0.467 0.250) 0.567 11.497 ( 0.317 1.775 4.413) 4.767 11.510 ( -0.256 1.499 4.563) 4.809 11.809 ( 0.335 1.295 3.588) 3.829 11.840 ( -1.155 -0.775 5.337) 5.516 12.643 ( -0.012 0.659 -3.825) 3.881 12.658 ( -0.895 2.066 -5.627) 6.060 13.069 ( 0.395 -0.563 -2.000) 2.115 13.094 ( -0.608 -0.576 -2.302) 2.450 13.188 ( 0.147 3.146 4.278) 5.313 13.190 ( 0.097 3.205 4.533) 5.553 13.313 ( 0.103 6.389 3.845) 7.457 13.340 ( -0.627 4.054 4.547) 6.124 13.795 ( 1.631 0.524 -3.430) 3.834 13.884 ( -2.584 0.543 -3.300) 4.226 13.971 ( 2.066 0.856 -3.169) 3.878 14.040 ( -1.274 1.410 -2.871) 3.442 14.157 ( 0.004 2.383 4.057) 4.705 14.162 ( -0.128 2.354 4.134) 4.759 14.253 ( 0.111 1.989 3.304) 3.858 14.284 ( -1.696 3.943 1.248) 4.470 ======================= Grid point 52 (21/75) ======================= q-point: (-0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -12.937 3.882 5.991) 14.776 0.900 ( 12.937 3.882 5.991) 14.776 1.270 ( -2.349 27.590 28.318) 39.606 1.270 ( 2.349 27.590 28.318) 39.606 1.788 ( -0.132 32.597 39.401) 51.137 1.788 ( 0.132 32.597 39.401) 51.137 2.084 ( -1.487 28.903 13.503) 31.936 2.084 ( 1.487 28.903 13.503) 31.936 2.469 ( -1.401 9.559 27.303) 28.961 2.469 ( 1.401 9.559 27.303) 28.961 2.807 ( -0.777 -2.622 3.450) 4.402 2.807 ( 0.777 -2.622 3.450) 4.402 2.994 ( -1.392 4.731 0.911) 5.015 2.994 ( 1.392 4.731 0.911) 5.015 3.068 ( -1.623 4.119 -0.268) 4.435 3.068 ( 1.623 4.119 -0.268) 4.435 4.598 ( -4.594 -1.812 -5.443) 7.350 4.598 ( 4.594 -1.812 -5.443) 7.350 4.662 ( -1.225 -7.123 -3.159) 7.888 4.662 ( 1.225 -7.123 -3.159) 7.888 4.940 ( -0.696 0.337 -5.765) 5.817 4.940 ( 0.696 0.337 -5.765) 5.817 5.102 ( -0.576 -3.864 -3.169) 5.030 5.102 ( 0.576 -3.864 -3.169) 5.030 5.410 ( -0.081 -5.556 8.110) 9.831 5.410 ( 0.081 -5.556 8.110) 9.831 5.839 ( -0.923 -10.039 -6.414) 11.949 5.839 ( 0.923 -10.039 -6.414) 11.949 6.187 ( -1.797 1.412 -5.177) 5.658 6.187 ( 1.797 1.412 -5.177) 5.658 6.489 ( -3.036 4.484 -5.253) 7.545 6.489 ( 3.036 4.484 -5.253) 7.545 6.933 ( -1.931 8.707 10.669) 13.906 6.933 ( 1.931 8.707 10.669) 13.906 7.154 ( -5.369 4.222 5.352) 8.677 7.154 ( 5.369 4.222 5.352) 8.677 8.438 ( -3.063 -4.175 -5.393) 7.477 8.438 ( 3.063 -4.175 -5.393) 7.477 8.635 ( -1.025 -2.782 -6.793) 7.411 8.635 ( 1.025 -2.782 -6.793) 7.411 8.822 ( -0.080 -4.578 -3.377) 5.689 8.822 ( 0.080 -4.578 -3.377) 5.689 9.439 ( -0.390 -5.508 -5.489) 7.786 9.439 ( 0.390 -5.508 -5.489) 7.786 10.399 ( -0.334 1.240 2.257) 2.597 10.399 ( 0.334 1.240 2.257) 2.597 10.495 ( -0.366 0.941 2.360) 2.567 10.495 ( 0.366 0.941 2.360) 2.567 10.672 ( -0.735 -1.043 0.548) 1.389 10.672 ( 0.735 -1.043 0.548) 1.389 10.733 ( -0.294 -0.346 0.309) 0.549 10.733 ( 0.294 -0.346 0.309) 0.549 11.503 ( -0.386 1.624 4.506) 4.805 11.503 ( 0.386 1.624 4.506) 4.805 11.820 ( -0.829 0.740 4.367) 4.506 11.820 ( 0.829 0.740 4.367) 4.506 12.646 ( -0.355 1.309 -4.258) 4.469 12.646 ( 0.355 1.309 -4.258) 4.469 13.080 ( -0.755 -0.569 -2.096) 2.299 13.080 ( 0.755 -0.569 -2.096) 2.299 13.190 ( -0.091 3.174 4.519) 5.523 13.190 ( 0.091 3.174 4.519) 5.523 13.324 ( -0.920 5.727 3.822) 6.946 13.324 ( 0.920 5.727 3.822) 6.946 13.835 ( -2.502 0.460 -3.381) 4.231 13.835 ( 2.502 0.460 -3.381) 4.231 14.009 ( -1.932 1.242 -2.882) 3.685 14.009 ( 1.932 1.242 -2.882) 3.685 14.158 ( -0.176 2.287 4.098) 4.696 14.158 ( 0.176 2.287 4.098) 4.696 14.260 ( -0.775 2.888 2.895) 4.162 14.260 ( 0.775 2.888 2.895) 4.162 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 17.011 11.067) 20.294 1.194 ( 0.000 3.904 4.587) 6.024 1.789 ( 0.000 29.243 25.585) 38.855 1.840 ( 0.000 27.468 23.511) 36.156 2.321 ( 0.000 5.423 12.377) 13.513 2.389 ( 0.000 2.613 9.702) 10.048 2.454 ( 0.000 21.799 6.279) 22.685 2.516 ( 0.000 22.516 8.898) 24.211 2.711 ( 0.000 9.297 14.460) 17.191 2.761 ( 0.000 3.604 7.901) 8.685 2.928 ( 0.000 17.073 4.170) 17.575 2.940 ( 0.000 18.511 3.786) 18.894 3.167 ( 0.000 20.089 11.323) 23.061 3.243 ( 0.000 12.970 7.301) 14.883 3.304 ( 0.000 24.725 9.691) 26.556 3.305 ( 0.000 33.949 13.325) 36.471 4.302 ( 0.000 -16.187 -1.207) 16.231 4.445 ( 0.000 -6.540 -4.740) 8.077 4.493 ( 0.000 -7.082 -6.946) 9.919 4.752 ( 0.000 -8.512 -7.884) 11.602 4.883 ( 0.000 -7.606 4.611) 8.895 4.957 ( 0.000 -6.067 -6.125) 8.621 4.975 ( 0.000 -8.080 -0.753) 8.115 4.996 ( 0.000 -1.192 -2.803) 3.046 5.282 ( 0.000 -5.573 5.410) 7.767 5.310 ( 0.000 -4.389 5.485) 7.025 5.624 ( 0.000 -8.600 -5.135) 10.016 5.699 ( 0.000 -9.430 -6.339) 11.363 6.124 ( 0.000 2.905 -1.099) 3.106 6.259 ( 0.000 1.696 -0.961) 1.950 6.589 ( 0.000 10.914 -7.486) 13.235 6.652 ( 0.000 7.026 -6.489) 9.565 7.065 ( 0.000 9.241 11.040) 14.397 7.106 ( 0.000 7.203 6.881) 9.961 7.190 ( 0.000 7.279 7.310) 10.315 7.382 ( 0.000 5.091 4.668) 6.907 8.255 ( 0.000 -6.440 -5.608) 8.539 8.387 ( 0.000 -6.956 -5.494) 8.864 8.517 ( 0.000 -7.074 -7.639) 10.411 8.554 ( 0.000 -8.066 -9.630) 12.562 8.703 ( 0.000 -7.198 -2.861) 7.745 8.705 ( 0.000 -7.019 -3.350) 7.778 9.290 ( 0.000 -8.221 -4.880) 9.560 9.314 ( 0.000 -8.351 -6.708) 10.712 10.418 ( 0.000 1.341 2.372) 2.725 10.452 ( 0.000 2.866 1.827) 3.399 10.498 ( 0.000 0.581 2.269) 2.342 10.533 ( 0.000 1.923 1.773) 2.616 10.631 ( 0.000 -1.206 1.442) 1.880 10.661 ( 0.000 -1.492 1.538) 2.142 10.720 ( 0.000 -0.482 1.044) 1.150 10.726 ( 0.000 -0.814 0.940) 1.244 11.541 ( 0.000 2.789 3.709) 4.641 11.551 ( 0.000 2.388 3.776) 4.468 11.846 ( 0.000 2.469 2.579) 3.571 11.857 ( 0.000 1.813 3.426) 3.876 12.649 ( 0.000 -0.008 -3.790) 3.790 12.681 ( 0.000 -0.666 -5.887) 5.924 13.053 ( 0.000 -0.595 -3.025) 3.083 13.088 ( 0.000 -0.755 -3.367) 3.451 13.256 ( 0.000 3.723 3.236) 4.933 13.262 ( 0.000 3.724 4.741) 6.029 13.470 ( 0.000 8.741 3.298) 9.342 13.483 ( 0.000 9.824 2.100) 10.046 13.783 ( 0.000 -0.360 -2.591) 2.616 13.902 ( 0.000 -2.832 -3.078) 4.183 13.967 ( 0.000 2.408 -2.038) 3.155 14.082 ( 0.000 1.501 -2.804) 3.180 14.222 ( 0.000 3.803 4.522) 5.909 14.229 ( 0.000 4.056 4.599) 6.133 14.298 ( 0.000 2.763 4.005) 4.866 14.353 ( 0.000 1.529 2.358) 2.810 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 8.335 13.688 9.385) 18.572 1.150 ( -4.705 5.027 5.129) 8.586 1.797 ( 0.821 28.978 25.232) 38.432 1.833 ( -0.689 27.716 23.751) 36.507 2.328 ( 0.751 5.098 11.940) 13.004 2.377 ( -1.248 3.174 10.032) 10.596 2.462 ( 0.830 21.575 6.640) 22.589 2.505 ( -1.024 22.144 8.517) 23.747 2.719 ( 0.787 8.485 13.560) 16.016 2.754 ( -0.722 4.496 8.964) 10.054 2.929 ( 0.135 17.319 4.095) 17.797 2.937 ( -0.237 18.244 3.808) 18.639 3.179 ( 1.137 18.781 10.725) 21.657 3.232 ( -1.123 13.443 7.721) 15.544 3.305 ( 0.197 28.972 11.197) 31.061 3.310 ( 0.223 30.787 12.171) 33.106 4.327 ( 2.494 -15.352 -1.822) 15.660 4.434 ( -1.735 -10.082 -4.585) 11.210 4.521 ( 3.599 -4.509 -6.746) 8.877 4.716 ( -3.844 -6.729 -8.005) 11.142 4.887 ( 0.412 -7.480 3.859) 8.427 4.934 ( -2.052 -5.216 -0.948) 5.685 4.978 ( 0.236 -7.526 -3.280) 8.213 4.990 ( -0.427 -4.448 -3.979) 5.983 5.286 ( 0.336 -5.397 5.232) 7.524 5.304 ( -0.507 -4.643 5.304) 7.067 5.629 ( 0.496 -8.382 -5.198) 9.876 5.675 ( -1.914 -8.562 -5.915) 10.582 6.160 ( 3.180 2.254 -1.422) 4.149 6.249 ( -1.105 1.817 -1.109) 2.398 6.601 ( 1.131 10.091 -7.061) 12.368 6.645 ( -0.744 7.425 -6.387) 9.822 7.080 ( 1.512 9.102 10.346) 13.863 7.124 ( 1.036 8.011 7.107) 10.760 7.192 ( 1.056 6.524 7.025) 9.645 7.344 ( -3.868 5.143 4.792) 8.024 8.278 ( 2.270 -6.453 -5.580) 8.828 8.372 ( -1.655 -6.841 -5.552) 8.965 8.520 ( 0.388 -7.165 -7.732) 10.549 8.548 ( -0.657 -7.795 -9.120) 12.015 8.702 ( -0.047 -7.127 -3.008) 7.736 8.704 ( -0.070 -7.078 -3.258) 7.792 9.292 ( 0.264 -8.142 -5.194) 9.661 9.310 ( -0.436 -8.282 -6.487) 10.529 10.421 ( 0.322 1.465 2.329) 2.770 10.444 ( -0.707 2.368 1.995) 3.176 10.506 ( 0.712 1.013 2.117) 2.452 10.530 ( -0.390 1.761 1.822) 2.564 10.636 ( 0.513 -1.175 1.428) 1.919 10.657 ( -0.381 -1.391 1.501) 2.082 10.721 ( 0.073 -0.560 1.039) 1.183 10.725 ( -0.120 -0.788 0.971) 1.256 11.543 ( 0.163 2.720 3.730) 4.619 11.550 ( -0.148 2.439 3.778) 4.499 11.847 ( 0.131 2.422 2.674) 3.610 11.855 ( -0.204 1.972 3.268) 3.823 12.651 ( 0.249 0.019 -3.941) 3.949 12.673 ( -0.719 -0.374 -5.354) 5.415 13.058 ( 0.481 -0.563 -3.085) 3.172 13.083 ( -0.532 -0.690 -3.338) 3.450 13.258 ( 0.193 3.695 3.479) 5.079 13.262 ( 0.008 3.715 4.536) 5.863 13.471 ( 0.197 9.018 2.980) 9.500 13.482 ( -0.158 9.486 2.174) 9.733 13.797 ( 1.408 -0.546 -2.607) 3.013 13.875 ( -2.203 -1.746 -2.815) 3.978 13.994 ( 2.162 1.577 -2.306) 3.533 14.069 ( -1.346 1.472 -2.710) 3.364 14.221 ( -0.050 3.840 4.562) 5.964 14.227 ( -0.224 3.989 4.579) 6.077 14.302 ( 0.523 2.853 3.920) 4.877 14.340 ( -1.175 2.122 2.863) 3.752 ======================= Grid point 57 (24/75) ======================= q-point: (-0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -8.744 8.434 6.786) 13.915 1.022 ( 8.744 8.434 6.786) 13.915 1.816 ( -1.071 28.340 24.436) 37.436 1.816 ( 1.071 28.340 24.436) 37.436 2.349 ( -1.470 4.222 10.932) 11.811 2.349 ( 1.470 4.222 10.932) 11.811 2.482 ( -1.277 21.592 7.561) 22.913 2.482 ( 1.277 21.592 7.561) 22.913 2.737 ( -1.064 6.539 11.350) 13.142 2.737 ( 1.064 6.539 11.350) 13.142 2.932 ( -0.228 17.769 3.923) 18.198 2.932 ( 0.228 17.769 3.923) 18.198 3.205 ( -1.568 15.673 9.138) 18.210 3.205 ( 1.568 15.673 9.138) 18.210 3.310 ( -0.204 30.438 11.854) 32.665 3.310 ( 0.204 30.438 11.854) 32.665 4.384 ( -3.255 -13.183 -3.284) 13.970 4.384 ( 3.255 -13.183 -3.284) 13.970 4.618 ( -5.994 -4.254 -7.386) 10.420 4.618 ( 5.994 -4.254 -7.386) 10.420 4.901 ( -1.241 -6.626 2.291) 7.120 4.901 ( 1.241 -6.626 2.291) 7.120 4.983 ( -0.341 -6.642 -4.232) 7.884 4.983 ( 0.341 -6.642 -4.232) 7.884 5.294 ( -0.530 -5.060 5.110) 7.211 5.294 ( 0.530 -5.060 5.110) 7.211 5.644 ( -1.238 -8.060 -5.425) 9.794 5.644 ( 1.238 -8.060 -5.425) 9.794 6.216 ( -2.432 1.908 -1.443) 3.411 6.216 ( 2.432 1.908 -1.443) 3.411 6.625 ( -1.289 8.531 -6.460) 10.778 6.625 ( 1.289 8.531 -6.460) 10.778 7.113 ( -1.739 8.865 8.825) 12.629 7.113 ( 1.739 8.865 8.825) 12.629 7.255 ( -4.959 5.521 5.501) 9.238 7.255 ( 4.959 5.521 5.501) 9.238 8.329 ( -2.789 -6.608 -5.580) 9.087 8.329 ( 2.789 -6.608 -5.580) 9.087 8.533 ( -0.877 -7.391 -8.220) 11.089 8.533 ( 0.877 -7.391 -8.220) 11.089 8.702 ( -0.107 -7.099 -3.170) 7.776 8.702 ( 0.107 -7.099 -3.170) 7.776 9.300 ( -0.529 -8.145 -5.888) 10.065 9.300 ( 0.529 -8.145 -5.888) 10.065 10.430 ( -0.628 1.811 2.201) 2.918 10.430 ( 0.628 1.811 2.201) 2.918 10.520 ( -0.669 1.446 1.941) 2.512 10.520 ( 0.669 1.446 1.941) 2.512 10.648 ( -0.618 -1.221 1.440) 1.987 10.648 ( 0.618 -1.221 1.440) 1.987 10.723 ( -0.138 -0.700 1.018) 1.243 10.723 ( 0.138 -0.700 1.018) 1.243 11.546 ( -0.217 2.571 3.766) 4.565 11.546 ( 0.217 2.571 3.766) 4.565 11.850 ( -0.232 2.251 2.940) 3.710 11.850 ( 0.232 2.251 2.940) 3.710 12.659 ( -0.624 -0.032 -4.468) 4.511 12.659 ( 0.624 -0.032 -4.468) 4.511 13.070 ( -0.738 -0.582 -3.226) 3.360 13.070 ( 0.738 -0.582 -3.226) 3.360 13.261 ( -0.113 3.691 4.030) 5.466 13.261 ( 0.113 3.691 4.030) 5.466 13.477 ( -0.369 9.224 2.457) 9.553 13.477 ( 0.369 9.224 2.457) 9.553 13.832 ( -2.219 -1.017 -2.665) 3.614 13.832 ( 2.219 -1.017 -2.665) 3.614 14.035 ( -2.145 1.414 -2.520) 3.599 14.035 ( 2.145 1.414 -2.520) 3.599 14.222 ( -0.184 3.903 4.585) 6.024 14.222 ( 0.184 3.903 4.585) 6.024 14.318 ( -1.090 2.789 3.579) 4.667 14.318 ( 1.090 2.789 3.579) 4.667 ======================= Grid point 60 (25/75) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 17.242 9.438) 19.656 1.307 ( 0.000 7.293 6.184) 9.562 2.223 ( 0.000 0.800 2.068) 2.217 2.242 ( 0.000 3.628 1.642) 3.982 2.442 ( 0.000 16.296 16.253) 23.015 2.446 ( 0.000 17.017 15.628) 23.105 2.627 ( 0.000 2.135 5.304) 5.717 2.687 ( 0.000 -0.024 3.366) 3.366 2.836 ( 0.000 5.696 4.594) 7.318 2.843 ( 0.000 6.999 5.989) 9.212 3.239 ( 0.000 17.511 6.133) 18.554 3.252 ( 0.000 16.365 3.122) 16.660 3.717 ( 0.000 26.599 10.012) 28.421 3.802 ( 0.000 28.171 10.579) 30.092 3.872 ( 0.000 24.847 8.396) 26.228 3.902 ( 0.000 12.244 6.461) 13.844 4.076 ( 0.000 1.487 5.466) 5.664 4.282 ( 0.000 -8.947 -0.075) 8.947 4.319 ( 0.000 -10.899 -4.375) 11.745 4.505 ( 0.000 -13.276 -3.831) 13.818 4.666 ( 0.000 -11.368 3.244) 11.822 4.802 ( 0.000 -5.045 -4.075) 6.485 4.857 ( 0.000 -1.524 1.448) 2.102 4.907 ( 0.000 -8.141 7.207) 10.873 5.229 ( 0.000 -0.364 -2.095) 2.126 5.250 ( 0.000 -1.826 -2.103) 2.785 5.507 ( 0.000 -4.355 -2.460) 5.001 5.566 ( 0.000 -5.224 -3.882) 6.508 6.205 ( 0.000 4.791 2.332) 5.328 6.295 ( 0.000 1.758 1.759) 2.487 6.789 ( 0.000 8.864 -8.018) 11.953 6.800 ( 0.000 7.464 -7.124) 10.318 7.225 ( 0.000 6.618 9.418) 11.510 7.229 ( 0.000 5.084 5.479) 7.475 7.329 ( 0.000 6.547 7.190) 9.724 7.462 ( 0.000 2.687 4.538) 5.274 8.130 ( 0.000 -5.459 -5.968) 8.088 8.245 ( 0.000 -7.027 -5.807) 9.116 8.354 ( 0.000 -8.739 -8.326) 12.071 8.379 ( 0.000 -8.974 -9.666) 13.190 8.559 ( 0.000 -6.816 -2.707) 7.334 8.563 ( 0.000 -6.779 -3.556) 7.655 9.133 ( 0.000 -7.271 -5.495) 9.114 9.147 ( 0.000 -7.931 -6.479) 10.241 10.447 ( 0.000 1.505 2.431) 2.859 10.504 ( 0.000 -0.049 2.323) 2.324 10.511 ( 0.000 2.960 1.559) 3.346 10.566 ( 0.000 1.225 1.273) 1.767 10.611 ( 0.000 -0.737 2.058) 2.186 10.635 ( 0.000 -1.103 2.278) 2.531 10.709 ( 0.000 -0.528 1.811) 1.886 10.711 ( 0.000 -0.677 1.731) 1.859 11.595 ( 0.000 2.454 3.048) 3.913 11.599 ( 0.000 2.228 3.056) 3.782 11.898 ( 0.000 2.665 1.764) 3.196 11.904 ( 0.000 2.549 1.907) 3.183 12.643 ( 0.000 -0.567 -3.778) 3.820 12.657 ( 0.000 -1.399 -4.698) 4.902 13.040 ( 0.000 -0.695 -4.156) 4.214 13.067 ( 0.000 -1.306 -4.230) 4.427 13.324 ( 0.000 3.012 2.439) 3.876 13.328 ( 0.000 2.883 3.496) 4.531 13.647 ( 0.000 8.343 1.357) 8.452 13.671 ( 0.000 8.164 0.501) 8.180 13.767 ( 0.000 -0.838 -1.062) 1.353 13.833 ( 0.000 -3.712 -1.593) 4.040 14.013 ( 0.000 2.121 -1.361) 2.520 14.103 ( 0.000 0.396 -2.215) 2.250 14.294 ( 0.000 3.182 5.095) 6.007 14.307 ( 0.000 3.384 4.872) 5.932 14.355 ( 0.000 2.876 5.003) 5.771 14.385 ( 0.000 1.742 4.727) 5.038 ======================= Grid point 61 (26/75) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 3.597 15.237 8.845) 17.982 1.285 ( -2.367 8.292 6.575) 10.844 2.223 ( 0.089 0.957 1.890) 2.120 2.238 ( -0.429 2.776 1.499) 3.183 2.443 ( 0.088 17.191 16.366) 23.736 2.447 ( 0.023 17.257 15.884) 23.455 2.635 ( 0.774 1.678 4.916) 5.252 2.677 ( -1.005 0.208 3.576) 3.721 2.838 ( 0.141 5.875 4.883) 7.640 2.842 ( -0.067 6.788 5.865) 8.971 3.238 ( -0.053 17.285 5.594) 18.167 3.248 ( -0.419 16.460 3.512) 16.836 3.723 ( 0.629 26.795 10.070) 28.632 3.775 ( -1.989 27.634 10.164) 29.511 3.903 ( 2.197 25.132 9.295) 26.886 3.921 ( 1.451 17.355 7.893) 19.121 4.093 ( 2.084 -3.523 3.338) 5.282 4.245 ( -3.787 -9.117 -1.188) 9.944 4.354 ( 3.666 -11.360 -3.470) 12.431 4.491 ( -1.681 -12.640 -4.101) 13.395 4.680 ( 1.552 -10.824 2.763) 11.278 4.786 ( -2.051 -6.291 -3.887) 7.674 4.854 ( -0.254 -2.117 2.178) 3.048 4.876 ( -2.294 -6.544 7.521) 10.230 5.232 ( 0.237 -0.562 -2.120) 2.206 5.246 ( -0.379 -1.528 -2.142) 2.658 5.514 ( 0.778 -4.349 -2.541) 5.096 5.555 ( -1.023 -4.858 -3.476) 6.061 6.226 ( 1.936 3.942 2.084) 4.861 6.288 ( -0.821 1.955 1.755) 2.753 6.790 ( 0.136 8.430 -7.590) 11.344 6.800 ( -0.111 7.772 -7.301) 10.664 7.238 ( 1.333 6.565 8.850) 11.099 7.254 ( 2.239 5.071 5.002) 7.467 7.322 ( -0.387 6.354 7.589) 9.905 7.429 ( -3.309 3.157 4.752) 6.596 8.151 ( 2.045 -5.692 -5.933) 8.472 8.233 ( -1.354 -6.749 -5.858) 9.039 8.355 ( 0.245 -8.845 -8.432) 12.223 8.376 ( -0.389 -8.943 -9.301) 12.909 8.559 ( -0.003 -6.806 -2.966) 7.425 8.563 ( -0.092 -6.770 -3.430) 7.590 9.134 ( 0.159 -7.367 -5.643) 9.281 9.144 ( -0.259 -7.837 -6.338) 10.082 10.451 ( 0.466 1.503 2.392) 2.863 10.484 ( -1.180 1.339 2.157) 2.799 10.529 ( 0.997 1.429 1.755) 2.473 10.559 ( -0.630 1.054 1.456) 1.904 10.618 ( 0.624 -0.562 1.942) 2.116 10.635 ( -0.107 -0.870 2.169) 2.339 10.708 ( -0.073 -0.647 1.791) 1.905 10.710 ( -0.100 -0.659 1.806) 1.925 11.595 ( 0.063 2.420 3.054) 3.897 11.598 ( -0.062 2.261 3.059) 3.804 11.899 ( 0.083 2.657 1.780) 3.199 11.903 ( -0.083 2.574 1.881) 3.189 12.644 ( 0.156 -0.635 -3.875) 3.930 12.654 ( -0.286 -1.215 -4.519) 4.688 13.044 ( 0.410 -0.777 -4.179) 4.271 13.063 ( -0.385 -1.214 -4.233) 4.421 13.325 ( 0.143 2.984 2.602) 3.962 13.328 ( 0.013 2.895 3.341) 4.421 13.649 ( 0.271 8.186 1.208) 8.279 13.666 ( -0.434 8.121 0.626) 8.157 13.776 ( 0.947 -1.082 -1.128) 1.828 13.823 ( -1.047 -2.996 -1.478) 3.501 14.028 ( 1.451 1.642 -1.497) 2.654 14.091 ( -1.257 0.524 -2.082) 2.488 14.294 ( 0.087 3.267 5.080) 6.040 14.304 ( -0.302 3.393 4.913) 5.978 14.359 ( 0.438 2.768 4.952) 5.690 14.380 ( -0.472 1.981 4.773) 5.190 ======================= Grid point 62 (27/75) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -4.202 11.275 7.616) 14.240 1.222 ( 4.202 11.275 7.616) 14.240 2.229 ( -0.477 1.527 1.536) 2.218 2.229 ( 0.477 1.527 1.536) 2.218 2.445 ( -0.157 17.783 16.305) 24.127 2.445 ( 0.157 17.783 16.305) 24.127 2.654 ( -1.253 0.828 4.156) 4.419 2.654 ( 1.253 0.828 4.156) 4.419 2.840 ( -0.130 6.319 5.460) 8.353 2.840 ( 0.130 6.319 5.460) 8.353 3.240 ( -0.316 16.812 4.479) 17.401 3.240 ( 0.316 16.812 4.479) 17.401 3.742 ( -1.427 27.248 10.120) 29.102 3.742 ( 1.427 27.248 10.120) 29.102 3.932 ( -0.583 23.869 9.704) 25.773 3.932 ( 0.583 23.869 9.704) 25.773 4.159 ( -4.676 -9.313 -0.082) 10.421 4.159 ( 4.676 -9.313 -0.082) 10.421 4.435 ( -4.212 -11.634 -4.155) 13.052 4.435 ( 4.212 -11.634 -4.155) 13.052 4.727 ( -3.402 -9.186 0.590) 9.814 4.727 ( 3.402 -9.186 0.590) 9.814 4.853 ( -0.366 -3.567 4.166) 5.497 4.853 ( 0.366 -3.567 4.166) 5.497 5.238 ( -0.414 -0.995 -2.157) 2.411 5.238 ( 0.414 -0.995 -2.157) 2.411 5.533 ( -1.177 -4.447 -2.865) 5.419 5.533 ( 1.177 -4.447 -2.865) 5.419 6.264 ( -1.767 2.657 1.811) 3.669 6.264 ( 1.767 2.657 1.811) 3.669 6.795 ( -0.374 8.039 -7.318) 10.877 6.795 ( 0.374 8.039 -7.318) 10.877 7.266 ( -1.263 6.294 7.054) 9.537 7.266 ( 1.263 6.294 7.054) 9.537 7.355 ( -3.915 4.381 5.828) 8.275 7.355 ( 3.915 4.381 5.828) 8.275 8.196 ( -2.425 -6.210 -5.909) 8.909 8.196 ( 2.425 -6.210 -5.909) 8.909 8.365 ( -0.674 -8.918 -8.732) 12.499 8.365 ( 0.674 -8.918 -8.732) 12.499 8.560 ( -0.134 -6.780 -3.268) 7.527 8.560 ( 0.134 -6.780 -3.268) 7.527 9.139 ( -0.302 -7.603 -5.994) 9.686 9.139 ( 0.302 -7.603 -5.994) 9.686 10.464 ( -0.897 1.480 2.285) 2.866 10.464 ( 0.897 1.480 2.285) 2.866 10.546 ( -0.801 1.064 1.654) 2.124 10.546 ( 0.801 1.064 1.654) 2.124 10.629 ( -0.466 -0.550 1.965) 2.093 10.629 ( 0.466 -0.550 1.965) 2.093 10.708 ( -0.085 -0.706 1.830) 1.964 10.708 ( 0.085 -0.706 1.830) 1.964 11.597 ( -0.088 2.339 3.061) 3.853 11.597 ( 0.088 2.339 3.061) 3.853 11.901 ( -0.117 2.624 1.825) 3.198 11.901 ( 0.117 2.624 1.825) 3.198 12.648 ( -0.306 -0.867 -4.157) 4.257 12.648 ( 0.306 -0.867 -4.157) 4.257 13.054 ( -0.567 -0.990 -4.220) 4.371 13.054 ( 0.567 -0.990 -4.220) 4.371 13.328 ( -0.093 2.931 2.977) 4.179 13.328 ( 0.093 2.931 2.977) 4.179 13.657 ( -0.528 8.049 0.902) 8.117 13.657 ( 0.528 8.049 0.902) 8.117 13.799 ( -1.364 -1.827 -1.281) 2.615 13.799 ( 1.364 -1.827 -1.281) 2.615 14.060 ( -1.864 0.936 -1.788) 2.748 14.060 ( 1.864 0.936 -1.788) 2.748 14.298 ( -0.290 3.379 5.008) 6.048 14.298 ( 0.290 3.379 5.008) 6.048 14.369 ( -0.623 2.437 4.862) 5.474 14.369 ( 0.623 2.437 4.862) 5.474 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 10.095 8.616) 13.272 1.443 ( 0.000 4.522 7.637) 8.876 2.184 ( 0.000 -1.815 -1.213) 2.183 2.195 ( 0.000 -2.891 -2.105) 3.576 2.423 ( 0.000 -4.000 5.536) 6.830 2.455 ( 0.000 -6.364 5.856) 8.648 2.888 ( 0.000 1.822 -0.343) 1.854 2.898 ( 0.000 0.922 0.058) 0.923 3.074 ( 0.000 25.681 13.639) 29.078 3.085 ( 0.000 25.881 13.401) 29.145 3.601 ( 0.000 12.800 3.576) 13.290 3.607 ( 0.000 14.864 1.929) 14.988 3.712 ( 0.000 -13.838 5.543) 14.907 3.750 ( 0.000 -17.885 4.591) 18.465 4.018 ( 0.000 -7.081 -1.194) 7.181 4.038 ( 0.000 0.945 -0.487) 1.063 4.115 ( 0.000 -8.234 2.873) 8.721 4.227 ( 0.000 -4.878 6.333) 7.994 4.341 ( 0.000 12.404 0.086) 12.404 4.485 ( 0.000 8.659 11.683) 14.542 4.494 ( 0.000 1.681 10.237) 10.374 4.608 ( 0.000 -14.008 -0.804) 14.031 5.026 ( 0.000 14.710 4.538) 15.394 5.029 ( 0.000 14.014 1.448) 14.088 5.210 ( 0.000 -2.541 -3.561) 4.374 5.216 ( 0.000 -2.121 -2.813) 3.524 5.407 ( 0.000 -5.628 -0.960) 5.709 5.435 ( 0.000 -7.966 -1.800) 8.167 6.288 ( 0.000 3.078 4.085) 5.115 6.317 ( 0.000 0.085 3.700) 3.701 6.915 ( 0.000 3.398 -7.594) 8.319 6.916 ( 0.000 3.437 -8.020) 8.725 7.304 ( 0.000 2.365 5.278) 5.784 7.311 ( 0.000 1.909 7.018) 7.273 7.437 ( 0.000 4.129 6.514) 7.712 7.484 ( 0.000 -0.560 5.378) 5.407 8.070 ( 0.000 -0.109 -6.292) 6.293 8.125 ( 0.000 -4.989 -6.469) 8.169 8.217 ( 0.000 -3.688 -8.014) 8.822 8.234 ( 0.000 -4.888 -8.887) 10.143 8.458 ( 0.000 -2.860 -3.408) 4.449 8.461 ( 0.000 -3.064 -3.951) 5.000 9.026 ( 0.000 -3.037 -5.821) 6.565 9.029 ( 0.000 -3.431 -6.141) 7.035 10.475 ( 0.000 1.279 2.527) 2.832 10.495 ( 0.000 -0.757 2.495) 2.607 10.562 ( 0.000 1.996 1.789) 2.680 10.580 ( 0.000 0.124 1.566) 1.571 10.603 ( 0.000 -0.059 2.025) 2.026 10.614 ( 0.000 -1.065 2.185) 2.431 10.702 ( 0.000 -0.200 2.211) 2.220 10.702 ( 0.000 -0.231 2.180) 2.193 11.630 ( 0.000 1.002 2.643) 2.827 11.631 ( 0.000 0.887 2.640) 2.786 11.940 ( 0.000 1.312 1.231) 1.799 11.943 ( 0.000 1.084 1.230) 1.639 12.632 ( 0.000 -0.315 -3.873) 3.886 12.635 ( 0.000 -0.682 -4.120) 4.176 13.031 ( 0.000 -0.050 -4.721) 4.721 13.042 ( 0.000 -1.068 -4.726) 4.845 13.368 ( 0.000 1.293 1.832) 2.242 13.369 ( 0.000 1.139 2.218) 2.494 13.732 ( 0.000 0.021 -1.505) 1.505 13.746 ( 0.000 -0.400 -1.691) 1.737 13.799 ( 0.000 2.161 1.348) 2.547 13.807 ( 0.000 2.642 0.946) 2.806 14.052 ( 0.000 2.041 -0.688) 2.154 14.091 ( 0.000 -1.575 -1.184) 1.970 14.341 ( 0.000 1.498 5.245) 5.455 14.349 ( 0.000 0.790 5.030) 5.092 14.403 ( 0.000 1.660 5.800) 6.033 14.412 ( 0.000 0.665 5.755) 5.793 ======================= Grid point 66 (29/75) ======================= q-point: ( 0.25 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.732 9.052 8.535) 12.463 1.437 ( -0.683 5.126 7.857) 9.406 2.182 ( -0.124 -2.017 -1.368) 2.440 2.191 ( -0.391 -2.620 -1.921) 3.272 2.431 ( 0.676 -4.340 5.438) 6.991 2.453 ( -0.255 -5.942 5.664) 8.213 2.889 ( 0.147 1.723 -0.229) 1.744 2.896 ( -0.169 1.082 0.042) 1.096 3.077 ( 0.247 25.765 13.554) 29.114 3.085 ( -0.094 25.875 13.425) 29.151 3.602 ( 0.207 14.381 3.285) 14.753 3.611 ( 0.120 16.944 2.836) 17.180 3.721 ( 0.892 -17.326 4.894) 18.026 3.748 ( -0.255 -18.742 4.456) 19.266 4.019 ( 0.620 -5.321 0.439) 5.375 4.056 ( 0.583 -7.162 -0.954) 7.249 4.123 ( 1.744 -0.539 2.243) 2.892 4.264 ( 3.168 -4.175 7.057) 8.790 4.294 ( -3.876 10.474 -0.567) 11.182 4.445 ( -3.449 3.549 8.792) 10.089 4.523 ( 1.758 2.742 9.797) 10.325 4.588 ( -1.748 -9.638 2.168) 10.032 5.024 ( -0.119 14.856 4.000) 15.385 5.027 ( -0.220 14.290 1.955) 14.425 5.212 ( 0.159 -2.443 -3.495) 4.267 5.216 ( -0.036 -2.141 -2.953) 3.648 5.410 ( 0.359 -6.044 -0.950) 6.129 5.430 ( -0.485 -7.614 -1.533) 7.782 6.295 ( 0.619 2.494 3.975) 4.733 6.315 ( -0.249 0.424 3.721) 3.754 6.910 ( -0.066 3.358 -7.588) 8.298 6.919 ( -0.077 3.414 -7.834) 8.546 7.324 ( 1.833 2.077 5.595) 6.243 7.326 ( 1.515 2.043 5.419) 5.986 7.426 ( -0.975 3.808 7.009) 8.036 7.462 ( -2.075 0.126 5.820) 6.180 8.083 ( 1.282 -0.680 -6.359) 6.523 8.125 ( -0.222 -4.031 -6.434) 7.596 8.213 ( -0.216 -4.226 -8.181) 9.210 8.230 ( -0.486 -4.867 -8.482) 9.791 8.457 ( -0.016 -2.933 -3.700) 4.722 8.461 ( -0.050 -2.978 -3.856) 4.872 9.025 ( -0.010 -3.112 -5.870) 6.644 9.028 ( -0.100 -3.361 -6.061) 6.931 10.478 ( 0.273 1.098 2.510) 2.753 10.492 ( -0.327 -0.308 2.480) 2.520 10.559 ( -0.170 1.251 1.899) 2.280 10.570 ( -0.704 0.095 1.825) 1.959 10.613 ( 0.777 -0.055 1.802) 1.963 10.621 ( 0.488 -0.494 1.994) 2.112 10.699 ( -0.184 -0.259 2.204) 2.227 10.701 ( -0.166 -0.245 2.266) 2.285 11.630 ( 0.016 0.986 2.644) 2.822 11.631 ( -0.015 0.905 2.642) 2.793 11.941 ( 0.047 1.282 1.229) 1.776 11.942 ( -0.027 1.121 1.228) 1.663 12.633 ( 0.031 -0.357 -3.902) 3.918 12.635 ( -0.058 -0.616 -4.076) 4.123 13.033 ( 0.168 -0.200 -4.724) 4.731 13.040 ( -0.144 -0.922 -4.728) 4.819 13.369 ( 0.094 1.268 1.890) 2.278 13.370 ( 0.051 1.164 2.152) 2.447 13.729 ( -0.174 0.049 -1.300) 1.313 13.740 ( -0.564 -0.618 -1.496) 1.714 13.803 ( 0.539 2.878 1.117) 3.134 13.813 ( 0.340 2.334 0.782) 2.485 14.056 ( 0.426 1.388 -0.737) 1.629 14.084 ( -0.723 -1.167 -1.089) 1.753 14.342 ( 0.101 1.436 5.210) 5.405 14.347 ( -0.132 0.930 5.054) 5.141 14.404 ( 0.132 1.496 5.781) 5.973 14.411 ( -0.152 0.797 5.751) 5.808 ======================= Grid point 67 (30/75) ======================= q-point: (-0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -1.042 6.871 8.267) 10.800 1.420 ( 1.042 6.871 8.267) 10.800 2.183 ( -0.289 -2.281 -1.641) 2.825 2.183 ( 0.289 -2.281 -1.641) 2.825 2.444 ( -0.684 -5.105 5.417) 7.475 2.444 ( 0.684 -5.105 5.417) 7.475 2.893 ( -0.222 1.434 -0.045) 1.451 2.893 ( 0.222 1.434 -0.045) 1.451 3.082 ( -0.231 25.853 13.462) 29.149 3.082 ( 0.231 25.853 13.462) 29.149 3.608 ( -0.340 17.182 3.326) 17.504 3.608 ( 0.340 17.182 3.326) 17.504 3.739 ( -0.790 -19.875 4.329) 20.356 3.739 ( 0.790 -19.875 4.329) 20.356 4.042 ( -1.490 -8.358 0.691) 8.518 4.042 ( 1.490 -8.358 0.691) 8.518 4.193 ( -5.121 6.916 1.149) 8.682 4.193 ( 5.121 6.916 1.148) 8.682 4.359 ( -5.330 -1.811 5.573) 7.921 4.359 ( 5.330 -1.811 5.573) 7.921 4.555 ( -1.699 -1.556 7.193) 7.553 4.555 ( 1.699 -1.556 7.193) 7.553 5.024 ( -0.076 14.763 2.963) 15.058 5.024 ( 0.076 14.763 2.963) 15.058 5.214 ( -0.111 -2.255 -3.256) 3.962 5.214 ( 0.111 -2.255 -3.256) 3.962 5.420 ( -0.611 -6.861 -1.111) 6.978 5.420 ( 0.611 -6.862 -1.111) 6.978 6.307 ( -0.585 1.341 3.807) 4.078 6.307 ( 0.585 1.341 3.807) 4.078 6.914 ( -0.357 3.355 -7.613) 8.327 6.914 ( 0.357 3.355 -7.613) 8.327 7.349 ( -0.290 2.027 4.344) 4.803 7.349 ( 0.290 2.027 4.344) 4.803 7.422 ( -1.402 2.102 7.404) 7.823 7.422 ( 1.402 2.102 7.404) 7.823 8.110 ( -1.322 -2.085 -6.451) 6.907 8.110 ( 1.322 -2.085 -6.451) 6.907 8.217 ( -0.664 -4.878 -8.175) 9.543 8.217 ( 0.664 -4.878 -8.175) 9.543 8.459 ( -0.143 -2.949 -3.877) 4.873 8.459 ( 0.143 -2.949 -3.877) 4.873 9.026 ( -0.083 -3.239 -5.950) 6.775 9.026 ( 0.083 -3.239 -5.950) 6.775 10.485 ( -0.437 0.533 2.479) 2.573 10.485 ( 0.437 0.533 2.479) 2.573 10.560 ( -0.312 0.383 1.958) 2.020 10.560 ( 0.312 0.383 1.958) 2.020 10.624 ( -0.257 -0.079 1.767) 1.787 10.624 ( 0.257 -0.079 1.767) 1.787 10.698 ( -0.116 -0.296 2.286) 2.309 10.698 ( 0.116 -0.296 2.286) 2.309 11.631 ( -0.022 0.946 2.645) 2.809 11.631 ( 0.022 0.946 2.645) 2.809 11.942 ( -0.052 1.205 1.226) 1.720 11.942 ( 0.052 1.205 1.226) 1.720 12.633 ( -0.063 -0.475 -3.981) 4.010 12.633 ( 0.063 -0.475 -3.981) 4.010 13.037 ( -0.221 -0.563 -4.728) 4.766 13.037 ( 0.221 -0.563 -4.728) 4.766 13.370 ( -0.034 1.216 2.017) 2.356 13.370 ( 0.034 1.216 2.017) 2.356 13.730 ( -0.363 -0.290 -1.234) 1.319 13.730 ( 0.363 -0.290 -1.234) 1.319 13.813 ( -0.381 2.728 0.788) 2.865 13.813 ( 0.381 2.728 0.788) 2.865 14.068 ( -0.845 -0.020 -0.891) 1.228 14.068 ( 0.845 -0.020 -0.891) 1.228 14.344 ( -0.172 1.223 5.127) 5.274 14.344 ( 0.172 1.223 5.127) 5.274 14.407 ( -0.204 1.129 5.754) 5.867 14.407 ( 0.204 1.129 5.754) 5.867 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 0.000 23.933) 23.933 1.254 ( 0.000 0.000 8.425) 8.425 1.475 ( 0.000 0.000 36.814) 36.814 1.595 ( 0.000 0.000 32.986) 32.986 2.033 ( 0.000 0.000 19.593) 19.593 2.074 ( 0.000 0.000 21.377) 21.377 2.563 ( 0.000 0.000 34.383) 34.383 2.639 ( 0.000 0.000 27.498) 27.498 2.796 ( 0.000 0.000 -4.419) 4.419 2.840 ( 0.000 0.000 33.451) 33.451 2.850 ( 0.000 0.000 -4.346) 4.346 2.854 ( 0.000 0.000 -8.083) 8.083 2.862 ( 0.000 0.000 26.099) 26.099 3.011 ( 0.000 0.000 -6.078) 6.078 3.311 ( 0.000 0.000 33.594) 33.594 3.358 ( 0.000 0.000 40.909) 40.909 4.303 ( 0.000 0.000 -8.302) 8.302 4.577 ( 0.000 0.000 -13.317) 13.317 4.663 ( 0.000 0.000 -13.634) 13.634 4.686 ( 0.000 0.000 -16.161) 16.161 4.708 ( 0.000 0.000 -3.431) 3.431 4.743 ( 0.000 0.000 -0.409) 0.409 5.168 ( 0.000 0.000 2.859) 2.859 5.169 ( 0.000 0.000 3.251) 3.251 5.546 ( 0.000 0.000 0.484) 0.484 5.548 ( 0.000 0.000 -1.991) 1.991 5.754 ( 0.000 0.000 -13.190) 13.190 5.836 ( 0.000 0.000 -12.320) 12.320 6.076 ( 0.000 0.000 4.337) 4.337 6.164 ( 0.000 0.000 -4.670) 4.670 6.185 ( 0.000 0.000 3.989) 3.989 6.384 ( 0.000 0.000 -6.675) 6.675 7.074 ( 0.000 0.000 14.528) 14.528 7.106 ( 0.000 0.000 11.600) 11.600 7.143 ( 0.000 0.000 8.343) 8.343 7.357 ( 0.000 0.000 6.990) 6.990 8.270 ( 0.000 0.000 -8.126) 8.126 8.400 ( 0.000 0.000 -9.099) 9.099 8.509 ( 0.000 0.000 -8.154) 8.154 8.519 ( 0.000 0.000 -9.373) 9.373 8.773 ( 0.000 0.000 -5.737) 5.737 8.782 ( 0.000 0.000 -5.357) 5.357 9.324 ( 0.000 0.000 -11.763) 11.763 9.344 ( 0.000 0.000 -12.542) 12.542 10.425 ( 0.000 0.000 2.848) 2.848 10.473 ( 0.000 0.000 4.119) 4.119 10.521 ( 0.000 0.000 2.863) 2.863 10.560 ( 0.000 0.000 3.831) 3.831 10.663 ( 0.000 0.000 -0.325) 0.325 10.704 ( 0.000 0.000 -0.008) 0.008 10.730 ( 0.000 0.000 0.164) 0.164 10.742 ( 0.000 0.000 -0.378) 0.378 11.602 ( 0.000 0.000 8.194) 8.194 11.631 ( 0.000 0.000 8.254) 8.254 11.899 ( 0.000 0.000 7.133) 7.133 11.995 ( 0.000 0.000 5.305) 5.305 12.520 ( 0.000 0.000 -6.203) 6.203 12.535 ( 0.000 0.000 -6.684) 6.684 12.999 ( 0.000 0.000 -5.990) 5.990 13.019 ( 0.000 0.000 -7.239) 7.239 13.241 ( 0.000 0.000 5.179) 5.179 13.278 ( 0.000 0.000 7.196) 7.196 13.348 ( 0.000 0.000 5.864) 5.864 13.418 ( 0.000 0.000 3.417) 3.417 13.690 ( 0.000 0.000 -4.033) 4.033 13.832 ( 0.000 0.000 -5.307) 5.307 13.840 ( 0.000 0.000 -4.451) 4.451 13.953 ( 0.000 0.000 -5.187) 5.187 14.238 ( 0.000 0.000 6.159) 6.159 14.241 ( 0.000 0.000 6.033) 6.033 14.295 ( 0.000 0.000 4.630) 4.630 14.315 ( 0.000 0.000 4.637) 4.637 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 9.905 0.000 19.538) 21.905 1.205 ( -5.360 0.000 9.555) 10.955 1.491 ( 1.685 0.000 36.301) 36.340 1.576 ( -1.899 0.000 33.609) 33.663 2.039 ( 0.634 0.000 19.720) 19.731 2.068 ( -0.568 0.000 20.964) 20.972 2.570 ( 0.811 0.000 33.515) 33.525 2.624 ( -1.462 0.000 28.891) 28.928 2.802 ( 0.572 0.000 -4.488) 4.525 2.831 ( -0.917 0.000 -5.320) 5.399 2.842 ( 0.306 0.000 31.270) 31.271 2.859 ( -0.288 0.000 26.642) 26.643 2.888 ( 2.448 0.000 -6.761) 7.190 2.990 ( -2.084 0.000 -6.204) 6.545 3.323 ( 1.130 0.000 35.538) 35.556 3.356 ( -0.267 0.000 40.247) 40.248 4.331 ( 2.977 0.000 -8.839) 9.327 4.516 ( -5.270 0.000 -11.843) 12.962 4.679 ( 0.873 0.000 -14.639) 14.665 4.687 ( 0.074 0.000 -15.988) 15.988 4.715 ( 0.719 0.000 -3.065) 3.148 4.741 ( -0.299 0.000 -0.895) 0.944 5.162 ( -0.268 0.000 2.817) 2.830 5.168 ( -0.264 0.000 3.287) 3.297 5.546 ( 0.036 0.000 -0.045) 0.058 5.548 ( -0.022 0.000 -1.230) 1.230 5.751 ( -0.239 0.000 -12.968) 12.970 5.795 ( -3.003 0.000 -11.906) 12.279 6.094 ( 1.765 0.000 4.263) 4.614 6.171 ( -1.473 0.000 4.024) 4.285 6.234 ( 5.748 0.000 -5.729) 8.115 6.374 ( -1.214 0.000 -6.611) 6.722 7.079 ( 0.441 0.000 14.049) 14.056 7.101 ( -0.504 0.000 11.983) 11.993 7.167 ( 2.582 0.000 8.139) 8.539 7.320 ( -3.684 0.000 6.964) 7.878 8.291 ( 2.131 0.000 -8.128) 8.403 8.383 ( -1.730 0.000 -8.899) 9.066 8.511 ( 0.214 0.000 -8.315) 8.318 8.518 ( -0.075 0.000 -9.174) 9.175 8.773 ( 0.065 0.000 -5.682) 5.682 8.780 ( -0.209 0.000 -5.418) 5.422 9.323 ( -0.000 0.000 -11.629) 11.629 9.336 ( -0.647 0.000 -12.004) 12.022 10.429 ( 0.488 0.000 2.961) 3.001 10.461 ( -1.008 0.000 3.727) 3.861 10.531 ( 0.879 0.000 3.205) 3.323 10.557 ( -0.347 0.000 3.748) 3.764 10.668 ( 0.570 0.000 -0.305) 0.646 10.697 ( -0.656 0.000 -0.099) 0.663 10.733 ( 0.206 0.000 0.108) 0.233 10.741 ( -0.117 0.000 -0.252) 0.278 11.607 ( 0.450 0.000 8.174) 8.187 11.627 ( -0.399 0.000 8.230) 8.240 11.908 ( 0.992 0.000 7.193) 7.261 11.974 ( -1.933 0.000 6.141) 6.438 12.522 ( 0.221 0.000 -6.272) 6.276 12.533 ( -0.225 0.000 -6.612) 6.616 13.002 ( 0.321 0.000 -6.160) 6.168 13.017 ( -0.290 0.000 -7.033) 7.039 13.248 ( 0.703 0.000 5.316) 5.363 13.274 ( -0.417 0.000 6.790) 6.803 13.352 ( 0.529 0.000 5.994) 6.018 13.401 ( -1.612 0.000 4.404) 4.689 13.705 ( 1.571 0.000 -4.163) 4.449 13.791 ( -2.491 0.000 -4.739) 5.354 13.877 ( 2.086 0.000 -4.984) 5.403 13.942 ( -1.105 0.000 -5.188) 5.305 14.239 ( 0.060 0.000 6.138) 6.138 14.241 ( -0.042 0.000 6.044) 6.044 14.297 ( 0.263 0.000 4.662) 4.670 14.311 ( -0.332 0.000 4.660) 4.672 ======================= Grid point 92 (33/75) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -10.082 0.000 13.237) 16.640 1.057 ( 10.082 0.000 13.237) 16.640 1.532 ( -2.520 0.000 35.008) 35.098 1.532 ( 2.520 0.000 35.008) 35.098 2.054 ( -0.880 0.000 20.203) 20.222 2.054 ( 0.880 0.000 20.203) 20.222 2.593 ( -1.589 0.000 31.392) 31.432 2.593 ( 1.589 0.000 31.392) 31.432 2.815 ( -0.797 0.000 -4.792) 4.858 2.815 ( 0.797 0.000 -4.792) 4.858 2.851 ( -0.543 0.000 28.242) 28.247 2.851 ( 0.543 0.000 28.242) 28.247 2.941 ( -2.982 0.000 -6.518) 7.168 2.941 ( 2.982 0.000 -6.518) 7.168 3.345 ( -0.984 0.000 38.518) 38.531 3.345 ( 0.984 0.000 38.518) 38.531 4.411 ( -5.361 0.000 -10.128) 11.459 4.411 ( 5.361 0.000 -10.128) 11.459 4.687 ( -0.136 0.000 -15.491) 15.491 4.687 ( 0.136 0.000 -15.491) 15.491 4.730 ( -0.777 0.000 -2.047) 2.189 4.730 ( 0.777 0.000 -2.047) 2.189 5.162 ( -0.258 0.000 3.057) 3.067 5.162 ( 0.258 0.000 3.057) 3.067 5.547 ( -0.102 0.000 -0.524) 0.534 5.547 ( 0.102 0.000 -0.524) 0.534 5.756 ( -1.053 0.000 -12.309) 12.354 5.756 ( 1.053 0.000 -12.309) 12.354 6.134 ( -2.285 0.000 4.125) 4.716 6.134 ( 2.285 0.000 4.125) 4.716 6.329 ( -3.804 0.000 -6.484) 7.518 6.329 ( 3.804 0.000 -6.484) 7.518 7.089 ( -0.675 0.000 12.968) 12.986 7.089 ( 0.675 0.000 12.968) 12.986 7.237 ( -4.616 0.000 7.472) 8.783 7.237 ( 4.616 0.000 7.472) 8.783 8.339 ( -2.736 0.000 -8.433) 8.865 8.339 ( 2.736 0.000 -8.433) 8.865 8.515 ( -0.215 0.000 -8.726) 8.729 8.515 ( 0.215 0.000 -8.726) 8.729 8.776 ( -0.206 0.000 -5.553) 5.557 8.776 ( 0.206 0.000 -5.553) 5.557 9.326 ( -0.351 0.000 -11.520) 11.525 9.326 ( 0.351 0.000 -11.520) 11.525 10.442 ( -0.902 0.000 3.273) 3.394 10.442 ( 0.902 0.000 3.273) 3.394 10.547 ( -0.717 0.000 3.540) 3.612 10.547 ( 0.717 0.000 3.540) 3.612 10.682 ( -0.850 0.000 -0.232) 0.881 10.682 ( 0.850 0.000 -0.232) 0.881 10.737 ( -0.247 0.000 -0.042) 0.250 10.737 ( 0.247 0.000 -0.042) 0.250 11.617 ( -0.585 0.000 8.181) 8.202 11.617 ( 0.585 0.000 8.181) 8.202 11.935 ( -1.919 0.000 7.061) 7.317 11.935 ( 1.919 0.000 7.061) 7.317 12.528 ( -0.315 0.000 -6.441) 6.449 12.528 ( 0.315 0.000 -6.441) 6.449 13.009 ( -0.444 0.000 -6.579) 6.594 13.009 ( 0.444 0.000 -6.579) 6.594 13.263 ( -0.777 0.000 5.919) 5.969 13.263 ( 0.777 0.000 5.919) 5.969 13.370 ( -1.410 0.000 5.689) 5.861 13.370 ( 1.410 0.000 5.689) 5.861 13.744 ( -2.441 0.000 -4.453) 5.078 13.744 ( 2.441 0.000 -4.453) 5.078 13.914 ( -1.824 0.000 -5.132) 5.447 13.914 ( 1.824 0.000 -5.132) 5.447 14.240 ( -0.080 0.000 6.086) 6.087 14.240 ( 0.080 0.000 6.086) 6.087 14.304 ( -0.428 0.000 4.688) 4.708 14.304 ( 0.428 0.000 4.688) 4.708 ======================= Grid point 95 (34/75) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 8.049 21.792) 23.231 1.268 ( 0.000 1.738 8.914) 9.082 1.800 ( 0.000 26.928 30.698) 40.835 1.866 ( 0.000 23.171 28.797) 36.962 2.234 ( 0.000 17.314 15.410) 23.178 2.303 ( 0.000 18.894 16.311) 24.961 2.588 ( 0.000 -1.545 13.365) 13.454 2.618 ( 0.000 -4.576 4.878) 6.689 2.818 ( 0.000 2.910 -0.653) 2.983 2.832 ( 0.000 3.840 7.147) 8.114 2.859 ( 0.000 4.114 5.691) 7.022 2.926 ( 0.000 4.053 17.488) 17.952 3.037 ( 0.000 19.656 33.238) 38.615 3.117 ( 0.000 12.596 6.944) 14.383 3.401 ( 0.000 9.215 32.949) 34.213 3.455 ( 0.000 10.135 39.417) 40.699 4.327 ( 0.000 1.728 -7.923) 8.109 4.573 ( 0.000 -10.668 -5.578) 12.039 4.573 ( 0.000 -5.418 -6.881) 8.758 4.626 ( 0.000 -6.598 -6.534) 9.286 4.718 ( 0.000 3.191 -11.884) 12.305 4.738 ( 0.000 4.444 -14.205) 14.884 5.129 ( 0.000 -3.670 3.336) 4.960 5.131 ( 0.000 -3.962 4.357) 5.889 5.504 ( 0.000 -4.604 -0.407) 4.622 5.510 ( 0.000 -3.226 1.603) 3.602 5.643 ( 0.000 -9.625 -12.330) 15.642 5.725 ( 0.000 -10.212 -11.853) 15.646 6.071 ( 0.000 1.684 2.950) 3.397 6.215 ( 0.000 2.652 3.164) 4.128 6.278 ( 0.000 8.962 -3.045) 9.465 6.422 ( 0.000 4.031 -5.605) 6.903 7.146 ( 0.000 6.444 13.319) 14.795 7.160 ( 0.000 4.664 10.212) 11.226 7.207 ( 0.000 5.883 8.223) 10.111 7.401 ( 0.000 3.991 6.642) 7.748 8.223 ( 0.000 -4.615 -8.564) 9.728 8.354 ( 0.000 -4.481 -9.223) 10.254 8.464 ( 0.000 -4.588 -8.943) 10.051 8.475 ( 0.000 -4.572 -10.357) 11.321 8.727 ( 0.000 -4.391 -5.735) 7.223 8.735 ( 0.000 -4.515 -5.342) 6.994 9.269 ( 0.000 -5.296 -11.685) 12.829 9.280 ( 0.000 -5.931 -11.474) 12.916 10.441 ( 0.000 1.595 2.949) 3.353 10.479 ( 0.000 0.696 4.087) 4.146 10.533 ( 0.000 1.069 2.906) 3.096 10.566 ( 0.000 0.584 3.710) 3.756 10.663 ( 0.000 0.022 0.255) 0.256 10.702 ( 0.000 -0.234 0.552) 0.600 10.734 ( 0.000 0.365 0.391) 0.535 10.743 ( 0.000 0.106 -0.052) 0.118 11.615 ( 0.000 1.208 7.815) 7.908 11.637 ( 0.000 0.677 7.868) 7.898 11.905 ( 0.000 0.668 6.691) 6.724 11.966 ( 0.000 -1.903 6.259) 6.542 12.535 ( 0.000 0.996 -7.162) 7.231 12.539 ( 0.000 0.326 -6.756) 6.764 12.984 ( 0.000 -1.322 -6.473) 6.606 13.007 ( 0.000 -1.116 -7.401) 7.485 13.269 ( 0.000 2.560 4.687) 5.341 13.308 ( 0.000 2.617 6.521) 7.026 13.405 ( 0.000 5.512 5.427) 7.735 13.446 ( 0.000 3.307 4.783) 5.815 13.704 ( 0.000 1.205 -3.753) 3.942 13.839 ( 0.000 0.362 -4.949) 4.963 13.860 ( 0.000 2.005 -4.177) 4.634 13.971 ( 0.000 1.594 -5.295) 5.530 14.261 ( 0.000 2.549 6.189) 6.693 14.269 ( 0.000 2.721 6.186) 6.758 14.337 ( 0.000 2.225 4.911) 5.392 14.345 ( 0.000 4.049 3.875) 5.605 ======================= Grid point 96 (35/75) ======================= q-point: ( 0.25 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 8.363 6.476 18.529) 21.335 1.223 ( -4.821 2.287 10.004) 11.338 1.810 ( 1.005 26.406 30.392) 40.274 1.856 ( -0.963 23.734 29.034) 37.513 2.243 ( 0.920 17.494 15.461) 23.365 2.292 ( -1.112 18.606 16.092) 24.625 2.590 ( 0.241 -2.004 12.141) 12.308 2.612 ( -0.627 -4.169 6.127) 7.437 2.819 ( 0.053 3.175 0.384) 3.198 2.827 ( -0.374 3.745 4.574) 5.923 2.874 ( 1.312 4.209 10.109) 11.029 2.919 ( -0.756 4.405 18.043) 18.588 3.045 ( 0.838 18.101 26.914) 32.446 3.102 ( -1.488 13.288 8.883) 16.053 3.415 ( 1.339 9.525 34.749) 36.056 3.453 ( -0.297 10.106 38.895) 40.187 4.356 ( 3.131 1.859 -8.431) 9.184 4.532 ( -4.085 -0.655 -9.926) 10.753 4.582 ( 0.597 -10.903 -4.824) 11.937 4.611 ( -0.929 -10.543 -3.293) 11.084 4.726 ( 0.571 3.074 -12.666) 13.046 4.738 ( -0.053 4.077 -13.858) 14.445 5.126 ( -0.234 -3.667 3.467) 5.052 5.128 ( -0.265 -4.002 4.235) 5.833 5.505 ( 0.117 -4.386 0.030) 4.388 5.510 ( -0.041 -3.412 1.419) 3.695 5.643 ( 0.096 -9.406 -12.232) 15.431 5.691 ( -2.637 -9.560 -11.604) 15.265 6.107 ( 3.006 1.964 2.948) 4.646 6.201 ( -1.489 2.723 3.253) 4.496 6.314 ( 3.329 7.303 -3.963) 8.952 6.413 ( -1.084 4.138 -5.488) 6.958 7.151 ( 0.481 6.455 12.805) 14.348 7.167 ( 0.280 5.646 10.694) 12.096 7.219 ( 1.810 4.941 7.873) 9.470 7.364 ( -3.677 3.982 6.685) 8.606 8.245 ( 2.210 -4.525 -8.549) 9.922 8.338 ( -1.719 -4.471 -9.079) 10.265 8.466 ( 0.224 -4.597 -9.086) 10.185 8.474 ( -0.095 -4.553 -10.093) 11.073 8.727 ( 0.040 -4.415 -5.677) 7.192 8.733 ( -0.188 -4.498 -5.408) 7.037 9.268 ( -0.029 -5.305 -11.525) 12.687 9.275 ( -0.382 -5.711 -11.309) 12.675 10.445 ( 0.394 1.511 3.057) 3.433 10.471 ( -0.779 0.943 3.774) 3.968 10.541 ( 0.710 0.876 3.163) 3.358 10.563 ( -0.324 0.598 3.637) 3.700 10.669 ( 0.542 0.001 0.271) 0.606 10.696 ( -0.602 -0.178 0.463) 0.779 10.736 ( 0.159 0.318 0.354) 0.502 10.742 ( -0.085 0.132 0.059) 0.167 11.618 ( 0.358 1.126 7.807) 7.896 11.634 ( -0.306 0.755 7.851) 7.893 11.912 ( 0.692 0.447 6.752) 6.802 11.954 ( -1.154 -1.311 6.515) 6.745 12.535 ( 0.007 0.869 -7.009) 7.063 12.538 ( -0.116 0.407 -6.761) 6.774 12.988 ( 0.333 -1.303 -6.568) 6.705 13.004 ( -0.344 -1.159 -7.227) 7.327 13.276 ( 0.694 2.543 4.846) 5.516 13.303 ( -0.466 2.587 6.173) 6.709 13.408 ( 0.352 5.373 5.538) 7.724 13.437 ( -0.881 3.868 5.056) 6.427 13.719 ( 1.537 1.157 -3.862) 4.315 13.803 ( -2.447 0.913 -4.422) 5.136 13.893 ( 2.091 1.524 -4.686) 5.353 13.959 ( -1.154 1.585 -5.200) 5.557 14.262 ( 0.084 2.522 6.227) 6.719 14.268 ( -0.127 2.659 6.203) 6.751 14.337 ( -0.031 2.451 4.876) 5.458 14.342 ( -0.262 3.743 4.206) 5.637 ======================= Grid point 97 (36/75) ======================= q-point: (-0.50 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -8.871 3.942 13.343) 16.500 1.091 ( 8.871 3.942 13.343) 16.500 1.833 ( -1.390 25.092 29.678) 38.889 1.833 ( 1.390 25.092 29.678) 38.889 2.266 ( -1.439 17.996 15.697) 23.923 2.266 ( 1.439 17.996 15.697) 23.923 2.598 ( -0.663 -3.107 9.153) 9.688 2.598 ( 0.663 -3.107 9.153) 9.688 2.821 ( -0.224 3.557 2.309) 4.247 2.821 ( 0.224 3.557 2.309) 4.247 2.900 ( -1.247 4.463 15.924) 16.585 2.900 ( 1.247 4.463 15.924) 16.585 3.069 ( -1.731 15.325 15.786) 22.069 3.069 ( 1.731 15.325 15.786) 22.069 3.440 ( -1.109 9.944 37.418) 38.733 3.440 ( 1.109 9.944 37.418) 38.733 4.438 ( -5.251 1.791 -9.603) 11.091 4.438 ( 5.251 1.791 -9.603) 11.091 4.596 ( -0.773 -11.641 -3.601) 12.210 4.596 ( 0.773 -11.641 -3.601) 12.210 4.735 ( -0.340 3.414 -13.298) 13.733 4.735 ( 0.340 3.414 -13.298) 13.733 5.124 ( -0.108 -3.853 3.854) 5.451 5.124 ( 0.108 -3.853 3.854) 5.451 5.508 ( -0.144 -3.882 0.863) 3.979 5.508 ( 0.144 -3.882 0.863) 3.979 5.653 ( -1.219 -9.195 -11.896) 15.085 5.653 ( 1.219 -9.195 -11.896) 15.085 6.162 ( -2.626 2.631 3.220) 4.918 6.162 ( 2.626 2.631 3.220) 4.918 6.377 ( -2.838 4.980 -5.061) 7.647 6.377 ( 2.838 4.980 -5.061) 7.647 7.162 ( -0.611 6.410 11.671) 13.329 7.162 ( 0.611 6.410 11.671) 13.329 7.282 ( -4.459 4.136 7.204) 9.428 7.282 ( 4.459 4.136 7.204) 9.428 8.294 ( -2.740 -4.454 -8.745) 10.189 8.294 ( 2.740 -4.454 -8.745) 10.189 8.471 ( -0.263 -4.571 -9.531) 10.574 8.471 ( 0.263 -4.571 -9.531) 10.574 8.729 ( -0.176 -4.459 -5.548) 7.120 8.729 ( 0.176 -4.459 -5.548) 7.120 9.269 ( -0.199 -5.409 -11.268) 12.501 9.269 ( 0.199 -5.409 -11.268) 12.501 10.456 ( -0.729 1.279 3.353) 3.662 10.456 ( 0.729 1.279 3.353) 3.662 10.554 ( -0.635 0.678 3.454) 3.576 10.554 ( 0.635 0.678 3.454) 3.576 10.682 ( -0.793 -0.072 0.334) 0.863 10.682 ( 0.793 -0.072 0.334) 0.863 10.739 ( -0.187 0.215 0.238) 0.371 10.739 ( 0.187 0.215 0.238) 0.371 11.626 ( -0.461 0.939 7.816) 7.886 11.626 ( 0.461 0.939 7.816) 7.886 11.930 ( -1.256 -0.257 6.781) 6.901 11.930 ( 1.256 -0.257 6.781) 6.901 12.536 ( -0.109 0.614 -6.816) 6.845 12.536 ( 0.109 0.614 -6.816) 6.845 12.996 ( -0.489 -1.242 -6.860) 6.989 12.996 ( 0.489 -1.242 -6.860) 6.989 13.291 ( -0.813 2.540 5.414) 6.035 13.291 ( 0.813 2.540 5.414) 6.035 13.419 ( -0.861 4.821 5.479) 7.348 13.419 ( 0.861 4.821 5.479) 7.348 13.757 ( -2.390 1.043 -4.115) 4.872 13.757 ( 2.390 1.043 -4.115) 4.872 13.930 ( -1.868 1.552 -4.970) 5.531 13.930 ( 1.868 1.552 -4.970) 5.531 14.264 ( -0.189 2.543 6.241) 6.741 14.264 ( 0.189 2.543 6.241) 6.741 14.338 ( -0.143 3.060 4.675) 5.589 14.338 ( 0.143 3.060 4.675) 5.589 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 13.935 17.895) 22.681 1.335 ( 0.000 5.293 9.701) 11.051 2.274 ( 0.000 13.543 19.515) 23.754 2.295 ( 0.000 12.390 19.348) 22.976 2.518 ( 0.000 6.427 7.652) 9.993 2.543 ( 0.000 4.626 8.144) 9.366 2.584 ( 0.000 10.737 7.572) 13.139 2.625 ( 0.000 9.147 2.126) 9.391 2.837 ( 0.000 -0.404 -4.043) 4.063 2.878 ( 0.000 -0.345 -3.429) 3.447 3.071 ( 0.000 18.234 13.291) 22.564 3.103 ( 0.000 14.059 16.259) 21.494 3.546 ( 0.000 27.418 20.689) 34.348 3.610 ( 0.000 33.186 29.082) 44.125 3.682 ( 0.000 19.117 27.359) 33.376 3.771 ( 0.000 21.842 31.017) 37.936 4.272 ( 0.000 -18.010 -0.614) 18.020 4.298 ( 0.000 -10.183 -8.617) 13.340 4.364 ( 0.000 -2.996 -4.549) 5.447 4.578 ( 0.000 -3.734 -9.911) 10.591 4.784 ( 0.000 1.590 -10.407) 10.528 4.821 ( 0.000 1.146 -10.672) 10.733 5.009 ( 0.000 -7.837 6.897) 10.439 5.037 ( 0.000 -4.429 4.734) 6.482 5.338 ( 0.000 -11.206 -3.249) 11.667 5.411 ( 0.000 -9.491 1.603) 9.626 5.499 ( 0.000 -3.316 -4.898) 5.915 5.526 ( 0.000 -5.195 -9.071) 10.453 6.155 ( 0.000 6.395 4.590) 7.871 6.281 ( 0.000 3.851 3.054) 4.915 6.474 ( 0.000 10.364 -3.211) 10.850 6.534 ( 0.000 7.037 -4.235) 8.213 7.263 ( 0.000 5.223 8.385) 9.879 7.289 ( 0.000 7.262 11.158) 13.313 7.339 ( 0.000 6.797 7.193) 9.897 7.488 ( 0.000 4.229 5.584) 7.005 8.100 ( 0.000 -7.352 -9.768) 12.225 8.233 ( 0.000 -7.429 -9.919) 12.392 8.331 ( 0.000 -8.612 -10.520) 13.596 8.340 ( 0.000 -8.790 -11.635) 14.582 8.614 ( 0.000 -6.694 -5.382) 8.589 8.620 ( 0.000 -6.701 -4.957) 8.335 9.133 ( 0.000 -7.949 -11.243) 13.769 9.137 ( 0.000 -8.010 -10.219) 12.984 10.479 ( 0.000 1.917 3.535) 4.022 10.504 ( 0.000 1.958 3.444) 3.962 10.554 ( 0.000 0.917 3.284) 3.409 10.583 ( 0.000 1.059 3.085) 3.262 10.662 ( 0.000 -0.137 1.456) 1.463 10.695 ( 0.000 -0.389 1.703) 1.747 10.742 ( 0.000 0.365 1.037) 1.099 10.745 ( 0.000 0.119 0.754) 0.763 11.646 ( 0.000 1.871 6.889) 7.139 11.658 ( 0.000 1.385 6.903) 7.040 11.925 ( 0.000 1.365 5.587) 5.751 11.947 ( 0.000 0.080 5.722) 5.723 12.543 ( 0.000 -0.048 -6.870) 6.870 12.545 ( 0.000 -0.055 -7.705) 7.705 12.952 ( 0.000 -1.845 -7.514) 7.737 12.979 ( 0.000 -1.755 -8.040) 8.229 13.327 ( 0.000 3.026 3.877) 4.918 13.363 ( 0.000 2.675 5.328) 5.961 13.546 ( 0.000 8.144 3.998) 9.072 13.552 ( 0.000 6.917 4.704) 8.365 13.726 ( 0.000 0.905 -2.902) 3.040 13.831 ( 0.000 -1.285 -3.757) 3.971 13.915 ( 0.000 3.344 -3.117) 4.572 14.011 ( 0.000 2.418 -4.287) 4.922 14.333 ( 0.000 4.324 6.413) 7.734 14.342 ( 0.000 4.424 6.485) 7.851 14.398 ( 0.000 3.755 5.712) 6.836 14.427 ( 0.000 4.057 4.784) 6.273 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 5.185 12.159 16.177) 20.890 1.305 ( -3.225 6.184 10.515) 12.618 2.276 ( 0.214 13.212 19.312) 23.400 2.291 ( -0.416 12.400 19.177) 22.840 2.521 ( 0.343 5.925 7.931) 9.906 2.538 ( -0.422 4.753 8.247) 9.528 2.588 ( 0.470 10.962 6.935) 12.980 2.618 ( -0.711 9.720 3.075) 10.219 2.842 ( 0.553 -0.269 -3.993) 4.040 2.871 ( -0.663 -0.162 -3.536) 3.601 3.076 ( 0.483 17.183 13.562) 21.896 3.099 ( -0.471 14.357 15.643) 21.238 3.547 ( 0.213 27.908 21.627) 35.308 3.584 ( -1.804 30.433 26.701) 40.526 3.716 ( 2.547 21.730 29.316) 36.580 3.770 ( -0.231 22.132 31.022) 38.109 4.277 ( 0.535 -17.370 -2.084) 17.502 4.299 ( -0.132 -12.805 -7.538) 14.860 4.389 ( 2.804 -1.567 -5.435) 6.314 4.545 ( -3.368 -2.821 -9.260) 10.250 4.789 ( 0.540 1.495 -10.282) 10.404 4.816 ( -0.567 1.224 -10.516) 10.602 5.008 ( -0.025 -7.596 6.586) 10.054 5.027 ( -0.915 -5.252 5.155) 7.415 5.344 ( 0.680 -11.132 -2.898) 11.524 5.394 ( -1.546 -10.312 0.265) 10.431 5.502 ( 0.224 -3.126 -5.003) 5.903 5.517 ( -0.652 -3.889 -7.580) 8.545 6.185 ( 2.668 5.695 4.140) 7.529 6.270 ( -1.184 4.111 3.217) 5.353 6.487 ( 1.242 9.615 -3.433) 10.285 6.529 ( -0.575 7.298 -4.143) 8.411 7.282 ( 1.730 5.444 8.344) 10.112 7.293 ( 0.457 7.188 10.652) 12.859 7.339 ( 0.307 6.543 7.220) 9.748 7.452 ( -3.507 4.395 5.707) 8.011 8.124 ( 2.322 -7.308 -9.691) 12.358 8.217 ( -1.682 -7.404 -9.881) 12.461 8.333 ( 0.210 -8.629 -10.583) 13.657 8.341 ( -0.013 -8.707 -11.413) 14.355 8.614 ( 0.004 -6.704 -5.314) 8.555 8.619 ( -0.171 -6.706 -5.034) 8.387 9.132 ( -0.021 -7.916 -11.064) 13.604 9.135 ( -0.140 -7.953 -10.335) 13.041 10.481 ( 0.250 1.908 3.530) 4.021 10.498 ( -0.526 1.911 3.475) 4.001 10.560 ( 0.549 0.964 3.239) 3.424 10.580 ( -0.316 1.027 3.108) 3.288 10.667 ( 0.502 -0.139 1.453) 1.543 10.690 ( -0.482 -0.314 1.618) 1.717 10.743 ( 0.054 0.289 1.013) 1.054 10.745 ( -0.023 0.158 0.852) 0.867 11.648 ( 0.187 1.790 6.890) 7.122 11.656 ( -0.155 1.449 6.900) 7.053 11.928 ( 0.277 1.224 5.616) 5.755 11.943 ( -0.375 0.321 5.716) 5.737 12.543 ( -0.017 -0.028 -6.962) 6.962 12.544 ( -0.075 -0.032 -7.505) 7.506 12.956 ( 0.390 -1.822 -7.567) 7.793 12.975 ( -0.400 -1.761 -7.943) 8.146 13.333 ( 0.623 2.959 4.042) 5.048 13.359 ( -0.459 2.714 5.078) 5.776 13.546 ( -0.001 7.981 4.155) 8.997 13.550 ( -0.151 7.145 4.555) 8.475 13.739 ( 1.313 0.720 -2.973) 3.329 13.810 ( -1.879 -0.523 -3.476) 3.986 13.935 ( 1.795 2.781 -3.436) 4.771 14.000 ( -1.153 2.431 -4.163) 4.957 14.333 ( 0.056 4.331 6.467) 7.784 14.340 ( -0.222 4.381 6.506) 7.847 14.401 ( 0.338 3.869 5.645) 6.852 14.421 ( -0.521 4.087 5.009) 6.486 ======================= Grid point 102 (39/75) ======================= q-point: (-0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -5.850 8.753 12.920) 16.667 1.218 ( 5.850 8.753 12.920) 16.667 2.282 ( -0.422 12.644 19.055) 22.872 2.282 ( 0.422 12.644 19.055) 22.872 2.529 ( -0.488 5.157 8.307) 9.790 2.529 ( 0.488 5.157 8.307) 9.790 2.602 ( -0.909 10.737 5.135) 11.936 2.602 ( 0.909 10.737 5.135) 11.936 2.856 ( -0.846 -0.073 -3.796) 3.890 2.856 ( 0.846 -0.073 -3.796) 3.890 3.087 ( -0.695 15.409 14.432) 21.124 3.087 ( 0.695 15.409 14.432) 21.124 3.557 ( -0.944 28.998 23.905) 37.593 3.557 ( 0.944 28.998 23.905) 37.593 3.756 ( -1.462 22.414 30.689) 38.031 3.756 ( 1.462 22.414 30.689) 38.031 4.290 ( -0.736 -15.658 -4.951) 16.439 4.290 ( 0.736 -15.658 -4.951) 16.439 4.464 ( -4.766 -1.430 -7.501) 9.002 4.464 ( 4.766 -1.430 -7.501) 9.002 4.802 ( -0.816 1.346 -10.252) 10.372 4.802 ( 0.816 1.346 -10.252) 10.372 5.012 ( -0.533 -6.723 5.901) 8.961 5.012 ( 0.533 -6.723 5.901) 8.961 5.364 ( -1.437 -10.946 -1.761) 11.179 5.364 ( 1.437 -10.946 -1.761) 11.179 5.507 ( -0.403 -2.960 -5.694) 6.430 5.507 ( 0.403 -2.960 -5.694) 6.430 6.236 ( -2.435 4.751 3.578) 6.427 6.236 ( 2.435 4.751 3.578) 6.427 6.512 ( -1.228 8.201 -3.851) 9.143 6.512 ( 1.228 8.201 -3.851) 9.143 7.300 ( -0.254 6.769 9.428) 11.609 7.300 ( 0.254 6.769 9.428) 11.609 7.377 ( -3.830 5.055 6.345) 8.971 7.377 ( 3.830 5.055 6.345) 8.971 8.174 ( -2.725 -7.329 -9.732) 12.484 8.174 ( 2.725 -7.329 -9.732) 12.484 8.338 ( -0.252 -8.636 -10.928) 13.931 8.338 ( 0.252 -8.636 -10.928) 13.931 8.615 ( -0.146 -6.713 -5.179) 8.480 8.615 ( 0.146 -6.713 -5.179) 8.480 9.133 ( -0.073 -7.890 -10.668) 13.269 9.133 ( 0.073 -7.890 -10.668) 13.269 10.488 ( -0.489 1.892 3.512) 4.020 10.488 ( 0.489 1.892 3.512) 4.020 10.571 ( -0.546 0.993 3.166) 3.362 10.571 ( 0.546 0.993 3.166) 3.362 10.679 ( -0.682 -0.194 1.493) 1.653 10.679 ( 0.682 -0.194 1.493) 1.653 10.744 ( -0.079 0.208 0.967) 0.993 10.744 ( 0.079 0.208 0.967) 0.993 11.652 ( -0.240 1.612 6.895) 7.085 11.652 ( 0.240 1.612 6.895) 7.085 11.935 ( -0.458 0.822 5.677) 5.755 11.935 ( 0.458 0.822 5.677) 5.755 12.543 ( -0.045 -0.010 -7.181) 7.181 12.543 ( 0.045 -0.010 -7.181) 7.181 12.965 ( -0.565 -1.783 -7.734) 7.957 12.965 ( 0.565 -1.783 -7.734) 7.957 13.347 ( -0.765 2.822 4.517) 5.381 13.347 ( 0.765 2.822 4.517) 5.381 13.547 ( -0.135 7.596 4.360) 8.759 13.547 ( 0.135 7.596 4.360) 8.759 13.771 ( -2.036 0.226 -3.170) 3.775 13.771 ( 2.036 0.226 -3.170) 3.775 13.971 ( -1.859 2.493 -3.847) 4.946 13.971 ( 1.859 2.493 -3.847) 4.946 14.335 ( -0.223 4.340 6.526) 7.840 14.335 ( 0.223 4.340 6.526) 7.840 14.410 ( -0.602 4.046 5.401) 6.776 14.410 ( 0.602 4.046 5.401) 6.776 ======================= Grid point 105 (40/75) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 15.580 14.954) 21.595 1.477 ( 0.000 8.804 10.752) 13.897 2.265 ( 0.000 -5.684 1.174) 5.804 2.274 ( 0.000 -5.481 2.938) 6.219 2.643 ( 0.000 -2.519 4.139) 4.845 2.673 ( 0.000 -1.547 1.880) 2.435 2.805 ( 0.000 3.069 -2.565) 4.000 2.838 ( 0.000 4.837 0.104) 4.838 2.935 ( 0.000 18.466 16.938) 25.058 2.936 ( 0.000 20.542 19.439) 28.281 3.423 ( 0.000 16.282 13.513) 21.159 3.463 ( 0.000 18.368 14.911) 23.659 3.937 ( 0.000 -9.641 -3.102) 10.128 3.949 ( 0.000 5.273 2.707) 5.928 4.028 ( 0.000 10.582 12.661) 16.501 4.078 ( 0.000 7.534 12.344) 14.461 4.133 ( 0.000 -2.274 -10.561) 10.803 4.232 ( 0.000 9.788 9.382) 13.558 4.427 ( 0.000 10.005 13.416) 16.736 4.556 ( 0.000 9.505 7.945) 12.388 4.722 ( 0.000 -4.502 2.195) 5.009 4.738 ( 0.000 -4.658 1.696) 4.957 4.883 ( 0.000 -3.089 1.062) 3.266 4.979 ( 0.000 -3.140 0.324) 3.157 5.192 ( 0.000 -1.904 -1.842) 2.649 5.221 ( 0.000 -5.320 -1.870) 5.639 5.471 ( 0.000 -0.850 0.158) 0.865 5.501 ( 0.000 -0.724 -0.701) 1.008 6.297 ( 0.000 7.266 6.843) 9.981 6.360 ( 0.000 4.004 4.428) 5.970 6.668 ( 0.000 8.749 -3.462) 9.409 6.685 ( 0.000 7.631 -3.466) 8.381 7.349 ( 0.000 3.292 6.215) 7.033 7.406 ( 0.000 3.953 8.485) 9.361 7.459 ( 0.000 5.148 5.218) 7.330 7.550 ( 0.000 1.844 3.701) 4.135 7.962 ( 0.000 -5.784 -10.948) 12.383 8.083 ( 0.000 -7.186 -10.575) 12.785 8.144 ( 0.000 -9.600 -12.172) 15.502 8.153 ( 0.000 -9.368 -12.589) 15.692 8.480 ( 0.000 -6.466 -4.245) 7.735 8.488 ( 0.000 -6.364 -3.824) 7.424 8.978 ( 0.000 -7.164 -10.163) 12.434 8.983 ( 0.000 -7.060 -9.234) 11.624 10.513 ( 0.000 1.599 4.078) 4.380 10.554 ( 0.000 2.858 2.722) 3.947 10.565 ( 0.000 0.147 3.718) 3.721 10.605 ( 0.000 1.135 2.583) 2.821 10.659 ( 0.000 -0.245 2.422) 2.435 10.686 ( 0.000 -0.685 2.540) 2.630 10.747 ( 0.000 0.061 1.616) 1.617 10.747 ( 0.000 0.143 1.768) 1.774 11.683 ( 0.000 1.688 5.858) 6.096 11.687 ( 0.000 1.439 5.849) 6.024 11.956 ( 0.000 1.678 4.301) 4.616 11.963 ( 0.000 1.301 4.266) 4.460 12.535 ( 0.000 -0.806 -7.521) 7.564 12.536 ( 0.000 -0.644 -6.975) 7.005 12.916 ( 0.000 -1.636 -8.516) 8.672 12.940 ( 0.000 -2.068 -8.756) 8.997 13.380 ( 0.000 2.276 3.154) 3.890 13.406 ( 0.000 1.555 4.130) 4.413 13.678 ( 0.000 3.194 -0.568) 3.244 13.684 ( 0.000 5.074 1.834) 5.395 13.759 ( 0.000 3.902 1.077) 4.048 13.802 ( 0.000 -0.610 -0.938) 1.119 13.983 ( 0.000 3.320 -1.591) 3.681 14.055 ( 0.000 1.707 -2.609) 3.118 14.415 ( 0.000 3.699 6.926) 7.852 14.426 ( 0.000 3.602 6.766) 7.665 14.477 ( 0.000 3.977 6.787) 7.866 14.501 ( 0.000 3.361 6.500) 7.317 ======================= Grid point 106 (41/75) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.267 14.326 14.204) 20.301 1.464 ( -1.421 9.560 11.245) 14.828 2.263 ( -0.095 -5.682 1.446) 5.864 2.269 ( -0.378 -5.557 2.698) 6.188 2.647 ( 0.400 -2.321 3.746) 4.425 2.668 ( -0.483 -1.638 2.150) 2.746 2.810 ( 0.495 3.295 -2.125) 3.952 2.833 ( -0.486 4.546 -0.191) 4.575 2.936 ( 0.076 18.767 17.328) 25.543 2.937 ( 0.056 20.275 19.022) 27.801 3.425 ( 0.325 16.540 13.699) 21.479 3.453 ( -0.879 17.937 14.657) 23.181 3.957 ( 1.631 2.303 2.120) 3.530 3.971 ( 2.419 -4.407 -0.343) 5.039 4.015 ( -1.019 10.795 11.572) 15.858 4.099 ( -0.702 -2.780 -5.150) 5.894 4.114 ( 0.704 6.086 6.226) 8.735 4.215 ( -1.823 8.995 9.013) 12.863 4.444 ( 1.801 9.804 12.130) 15.700 4.537 ( -1.944 9.176 8.052) 12.362 4.726 ( 0.391 -4.270 2.438) 4.933 4.737 ( -0.120 -4.392 2.165) 4.898 4.890 ( 0.740 -2.820 1.233) 3.165 4.956 ( -2.153 -2.837 0.945) 3.685 5.195 ( 0.298 -2.235 -1.847) 2.915 5.215 ( -0.610 -4.511 -1.842) 4.911 5.477 ( 0.512 -0.835 0.044) 0.981 5.497 ( -0.364 -0.739 -0.551) 0.991 6.311 ( 1.338 6.543 6.390) 9.243 6.355 ( -0.563 4.308 4.732) 6.424 6.671 ( 0.335 8.467 -3.460) 9.153 6.683 ( -0.169 7.728 -3.497) 8.485 7.367 ( 1.773 3.009 5.856) 6.818 7.408 ( 0.167 3.870 7.944) 8.838 7.457 ( -0.056 5.093 5.403) 7.426 7.522 ( -2.641 2.550 3.977) 5.412 7.984 ( 2.148 -6.042 -10.816) 12.574 8.068 ( -1.536 -7.000 -10.727) 12.901 8.145 ( 0.247 -9.657 -12.026) 15.426 8.155 ( 0.041 -9.327 -12.461) 15.565 8.480 ( 0.006 -6.471 -4.180) 7.704 8.485 ( -0.212 -6.393 -3.907) 7.496 8.978 ( 0.044 -7.140 -10.004) 12.291 8.982 ( -0.118 -7.055 -9.355) 11.717 10.516 ( 0.333 1.627 3.988) 4.319 10.540 ( -0.907 1.907 3.367) 3.974 10.578 ( 0.811 1.001 3.138) 3.392 10.601 ( -0.406 1.062 2.691) 2.922 10.664 ( 0.519 -0.198 2.359) 2.424 10.683 ( -0.284 -0.504 2.455) 2.522 10.745 ( -0.035 0.023 1.708) 1.709 10.748 ( -0.033 0.089 1.742) 1.744 11.684 ( 0.069 1.648 5.858) 6.086 11.687 ( -0.058 1.472 5.852) 6.034 11.957 ( 0.099 1.635 4.294) 4.596 11.962 ( -0.111 1.369 4.270) 4.485 12.535 ( -0.004 -0.762 -7.411) 7.451 12.535 ( -0.027 -0.660 -7.049) 7.080 12.920 ( 0.359 -1.694 -8.547) 8.721 12.937 ( -0.344 -2.001 -8.718) 8.951 13.385 ( 0.445 2.165 3.279) 3.954 13.403 ( -0.312 1.655 3.971) 4.313 13.677 ( 0.005 3.588 0.128) 3.591 13.683 ( -0.123 4.674 1.196) 4.826 13.765 ( 0.605 3.280 0.770) 3.423 13.796 ( -0.674 0.270 -0.617) 0.953 13.994 ( 1.149 2.914 -1.774) 3.600 14.045 ( -1.013 1.839 -2.479) 3.248 14.416 ( 0.089 3.717 6.928) 7.862 14.423 ( -0.226 3.646 6.811) 7.729 14.480 ( 0.346 3.895 6.743) 7.795 14.498 ( -0.381 3.464 6.545) 7.415 ======================= Grid point 107 (42/75) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -2.632 11.697 12.599) 17.392 1.425 ( 2.632 11.697 12.599) 17.392 2.263 ( -0.175 -5.656 2.085) 6.031 2.263 ( 0.175 -5.656 2.085) 6.031 2.657 ( -0.619 -1.927 2.889) 3.528 2.657 ( 0.619 -1.927 2.889) 3.528 2.821 ( -0.684 3.884 -1.095) 4.093 2.821 ( 0.684 3.884 -1.095) 4.093 2.937 ( -0.031 19.541 18.169) 26.683 2.937 ( 0.031 19.541 18.169) 26.683 3.436 ( -0.834 17.170 14.150) 22.265 3.436 ( 0.834 17.170 14.150) 22.265 3.986 ( -1.343 8.353 9.375) 12.628 3.986 ( 1.343 8.353 9.375) 12.628 4.039 ( -3.746 -5.703 -6.909) 9.711 4.039 ( 3.746 -5.703 -6.909) 9.711 4.167 ( -3.126 7.710 9.231) 12.427 4.167 ( 3.126 7.710 9.231) 12.427 4.490 ( -2.794 9.201 9.517) 13.530 4.490 ( 2.794 9.201 9.517) 13.530 4.733 ( -0.299 -4.085 2.656) 4.882 4.733 ( 0.299 -4.085 2.656) 4.882 4.914 ( -1.942 -2.509 1.492) 3.506 4.914 ( 1.942 -2.509 1.492) 3.506 5.203 ( -0.576 -3.164 -1.841) 3.706 5.203 ( 0.576 -3.164 -1.841) 3.706 5.488 ( -0.607 -0.787 -0.236) 1.022 5.488 ( 0.607 -0.787 -0.236) 1.022 6.338 ( -1.276 5.228 5.497) 7.692 6.338 ( 1.276 5.228 5.497) 7.692 6.678 ( -0.370 8.006 -3.493) 8.742 6.678 ( 0.370 8.006 -3.493) 8.742 7.401 ( -1.299 3.035 6.229) 7.050 7.401 ( 1.299 3.035 6.229) 7.050 7.472 ( -2.013 4.366 5.163) 7.055 7.472 ( 2.013 4.366 5.163) 7.055 8.030 ( -2.459 -6.574 -10.763) 12.849 8.030 ( 2.459 -6.574 -10.763) 12.849 8.152 ( -0.326 -9.482 -12.147) 15.413 8.152 ( 0.326 -9.482 -12.147) 15.413 8.481 ( -0.181 -6.449 -4.053) 7.620 8.481 ( 0.181 -6.449 -4.053) 7.620 8.980 ( -0.119 -7.082 -9.661) 11.980 8.980 ( 0.119 -7.082 -9.661) 11.980 10.525 ( -0.667 1.713 3.738) 4.165 10.525 ( 0.667 1.713 3.738) 4.165 10.591 ( -0.618 1.023 2.890) 3.127 10.591 ( 0.618 1.023 2.890) 3.127 10.675 ( -0.566 -0.247 2.337) 2.417 10.675 ( 0.566 -0.247 2.337) 2.417 10.746 ( -0.106 0.012 1.760) 1.763 10.746 ( 0.106 0.012 1.760) 1.763 11.685 ( -0.090 1.556 5.856) 6.060 11.685 ( 0.090 1.556 5.856) 6.060 11.960 ( -0.149 1.514 4.280) 4.543 11.960 ( 0.149 1.514 4.280) 4.543 12.535 ( -0.019 -0.698 -7.213) 7.247 12.535 ( 0.019 -0.698 -7.213) 7.247 12.928 ( -0.499 -1.844 -8.628) 8.837 12.928 ( 0.499 -1.844 -8.628) 8.837 13.394 ( -0.538 1.905 3.607) 4.115 13.394 ( 0.538 1.905 3.607) 4.115 13.679 ( -0.222 4.113 0.695) 4.177 13.679 ( 0.222 4.113 0.695) 4.177 13.780 ( -0.929 1.903 0.077) 2.119 13.780 ( 0.929 1.903 0.077) 2.119 14.021 ( -1.506 2.254 -2.150) 3.460 14.021 ( 1.506 2.254 -2.150) 3.460 14.419 ( -0.227 3.712 6.893) 7.832 14.419 ( 0.227 3.712 6.893) 7.832 14.489 ( -0.512 3.690 6.645) 7.618 14.489 ( 0.512 3.690 6.645) 7.618 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 9.491 13.509) 16.509 1.645 ( 0.000 6.280 12.390) 13.891 2.162 ( 0.000 -3.667 -0.701) 3.733 2.171 ( 0.000 -4.278 0.314) 4.289 2.560 ( 0.000 -2.735 7.334) 7.828 2.589 ( 0.000 -4.822 6.399) 8.013 2.836 ( 0.000 1.082 -5.127) 5.240 2.851 ( 0.000 -0.423 -5.214) 5.231 3.388 ( 0.000 21.924 15.538) 26.872 3.393 ( 0.000 23.335 17.322) 29.062 3.655 ( 0.000 2.449 1.634) 2.944 3.679 ( 0.000 4.275 3.063) 5.259 3.843 ( 0.000 -12.457 6.911) 14.245 3.872 ( 0.000 -7.136 5.592) 9.066 3.976 ( 0.000 -5.730 -0.144) 5.732 4.040 ( 0.000 6.565 1.502) 6.734 4.145 ( 0.000 -9.835 -0.689) 9.859 4.211 ( 0.000 3.997 -7.812) 8.775 4.449 ( 0.000 -6.697 8.524) 10.841 4.570 ( 0.000 -12.333 -1.382) 12.410 4.769 ( 0.000 9.197 16.405) 18.807 4.824 ( 0.000 6.875 20.562) 21.681 5.045 ( 0.000 10.664 0.242) 10.667 5.071 ( 0.000 6.261 -1.444) 6.425 5.221 ( 0.000 7.160 4.898) 8.675 5.225 ( 0.000 5.894 3.635) 6.924 5.411 ( 0.000 -6.362 2.991) 7.030 5.423 ( 0.000 -7.956 2.558) 8.357 6.413 ( 0.000 3.778 8.399) 9.209 6.427 ( 0.000 2.142 7.120) 7.436 6.795 ( 0.000 3.625 -3.458) 5.010 6.800 ( 0.000 3.163 -3.178) 4.484 7.399 ( 0.000 2.201 3.928) 4.502 7.434 ( 0.000 -0.767 5.050) 5.108 7.534 ( 0.000 2.427 2.353) 3.381 7.562 ( 0.000 -0.518 1.530) 1.615 7.900 ( 0.000 -0.273 -10.759) 10.762 7.954 ( 0.000 -5.638 -10.604) 12.010 8.008 ( 0.000 -3.199 -12.670) 13.068 8.012 ( 0.000 -3.898 -12.922) 13.497 8.383 ( 0.000 -2.712 -2.840) 3.927 8.388 ( 0.000 -3.145 -2.621) 4.094 8.875 ( 0.000 -2.801 -8.896) 9.327 8.878 ( 0.000 -3.113 -8.537) 9.087 10.542 ( 0.000 1.293 4.088) 4.287 10.561 ( 0.000 -0.576 3.952) 3.993 10.607 ( 0.000 2.258 2.700) 3.519 10.624 ( 0.000 0.556 2.710) 2.766 10.653 ( 0.000 -0.203 2.774) 2.781 10.665 ( 0.000 -1.305 2.740) 3.035 10.748 ( 0.000 0.035 2.137) 2.137 10.748 ( 0.000 -0.009 2.185) 2.185 11.707 ( 0.000 0.701 5.178) 5.225 11.708 ( 0.000 0.590 5.172) 5.206 11.984 ( 0.000 0.888 3.392) 3.507 11.986 ( 0.000 0.680 3.340) 3.409 12.521 ( 0.000 -0.388 -7.296) 7.306 12.523 ( 0.000 -0.495 -7.129) 7.147 12.895 ( 0.000 -0.386 -9.076) 9.084 12.904 ( 0.000 -1.324 -9.141) 9.236 13.414 ( 0.000 1.151 2.768) 2.998 13.423 ( 0.000 0.237 3.116) 3.125 13.695 ( 0.000 0.279 -2.165) 2.183 13.709 ( 0.000 -0.933 -2.085) 2.284 13.838 ( 0.000 2.443 2.756) 3.683 13.841 ( 0.000 2.521 2.538) 3.577 14.039 ( 0.000 2.298 -0.645) 2.387 14.068 ( 0.000 -0.491 -1.147) 1.248 14.469 ( 0.000 1.588 7.331) 7.501 14.474 ( 0.000 1.131 7.194) 7.283 14.539 ( 0.000 2.009 7.407) 7.675 14.548 ( 0.000 1.122 7.368) 7.453 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.25 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.516 8.902 13.398) 16.094 1.643 ( -0.246 6.674 12.600) 14.260 2.160 ( -0.144 -3.845 -0.501) 3.880 2.167 ( -0.374 -4.072 0.111) 4.091 2.564 ( 0.411 -3.082 7.106) 7.756 2.584 ( -0.445 -4.514 6.438) 7.876 2.838 ( 0.230 0.862 -5.179) 5.255 2.849 ( -0.217 -0.192 -5.236) 5.244 3.389 ( 0.162 22.215 16.012) 27.384 3.395 ( 0.033 23.111 17.004) 28.692 3.665 ( 0.965 3.797 2.287) 4.536 3.687 ( 0.472 6.514 3.134) 7.244 3.841 ( 0.195 -14.461 6.199) 15.735 3.870 ( -0.396 -10.799 6.358) 12.538 3.997 ( 2.054 -4.679 -0.943) 5.196 4.044 ( 0.287 5.109 0.970) 5.209 4.138 ( -0.434 -6.330 -1.348) 6.487 4.193 ( -2.007 4.755 -7.936) 9.467 4.448 ( 0.478 -9.130 8.392) 12.410 4.539 ( -2.950 -11.487 0.976) 11.900 4.786 ( 1.461 8.707 16.557) 18.764 4.823 ( -0.218 7.494 19.399) 20.798 5.048 ( 0.361 9.895 0.108) 9.902 5.067 ( -0.397 6.961 -0.830) 7.022 5.221 ( -0.009 6.933 4.670) 8.359 5.223 ( -0.118 6.034 3.714) 7.086 5.413 ( 0.223 -6.594 2.887) 7.202 5.422 ( -0.145 -7.718 2.569) 8.136 6.417 ( 0.344 3.442 8.202) 8.901 6.426 ( -0.049 2.325 7.331) 7.691 6.794 ( 0.027 3.435 -3.331) 4.785 6.800 ( -0.066 3.292 -3.321) 4.677 7.407 ( 0.930 1.403 3.419) 3.811 7.440 ( 0.274 -0.100 4.662) 4.672 7.527 ( -0.415 1.790 2.336) 2.972 7.553 ( -0.936 0.587 2.185) 2.448 7.911 ( 1.147 -1.162 -10.830) 10.952 7.954 ( -0.291 -4.462 -10.595) 11.500 7.999 ( -0.169 -3.894 -12.834) 13.413 8.016 ( -0.108 -3.710 -12.622) 13.157 8.382 ( -0.070 -2.827 -2.808) 3.985 8.386 ( -0.209 -3.072 -2.706) 4.099 8.875 ( 0.026 -2.871 -8.805) 9.261 8.878 ( -0.067 -3.033 -8.576) 9.097 10.544 ( 0.218 1.143 4.046) 4.210 10.557 ( -0.343 -0.093 3.934) 3.950 10.607 ( 0.022 1.567 2.847) 3.250 10.618 ( -0.474 0.470 2.861) 2.938 10.660 ( 0.560 -0.179 2.621) 2.686 10.669 ( 0.232 -0.823 2.598) 2.735 10.745 ( -0.118 -0.017 2.183) 2.187 10.748 ( -0.107 -0.021 2.196) 2.199 11.708 ( 0.017 0.684 5.178) 5.223 11.708 ( -0.012 0.606 5.174) 5.209 11.984 ( 0.037 0.861 3.383) 3.491 11.986 ( -0.024 0.715 3.346) 3.422 12.522 ( 0.019 -0.400 -7.267) 7.278 12.523 ( -0.024 -0.476 -7.149) 7.165 12.896 ( 0.155 -0.524 -9.086) 9.102 12.903 ( -0.135 -1.187 -9.132) 9.210 13.416 ( 0.197 1.015 2.809) 2.993 13.423 ( -0.075 0.369 3.055) 3.078 13.695 ( 0.038 0.083 -2.052) 2.054 13.705 ( -0.348 -0.735 -2.032) 2.188 13.840 ( 0.246 2.627 2.673) 3.756 13.845 ( 0.209 2.481 2.453) 3.495 14.042 ( 0.314 1.813 -0.695) 1.967 14.063 ( -0.546 -0.165 -1.056) 1.200 14.469 ( 0.052 1.539 7.309) 7.469 14.473 ( -0.091 1.215 7.212) 7.314 14.540 ( 0.108 1.874 7.399) 7.633 14.547 ( -0.154 1.248 7.371) 7.477 ======================= Grid point 112 (45/75) ======================= q-point: (-0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.588 7.690 13.051) 15.159 1.635 ( 0.588 7.690 13.051) 15.159 2.160 ( -0.221 -3.944 -0.201) 3.955 2.160 ( 0.221 -3.944 -0.201) 3.955 2.574 ( -0.612 -3.817 6.680) 7.718 2.574 ( 0.612 -3.817 6.680) 7.718 2.843 ( -0.315 0.339 -5.242) 5.263 2.843 ( 0.315 0.339 -5.242) 5.263 3.393 ( -0.210 22.686 16.574) 28.097 3.393 ( 0.210 22.686 16.574) 28.097 3.684 ( -0.809 6.865 3.117) 7.583 3.684 ( 0.809 6.865 3.117) 7.583 3.855 ( -1.075 -15.243 6.208) 16.494 3.855 ( 1.075 -15.243 6.208) 16.494 4.036 ( -1.505 -1.386 -0.480) 2.102 4.036 ( 1.505 -1.386 -0.480) 2.102 4.148 ( -1.921 2.353 -4.877) 5.745 4.148 ( 1.921 2.353 -4.877) 5.745 4.480 ( -2.796 -10.950 5.388) 12.520 4.480 ( 2.796 -10.950 5.388) 12.520 4.812 ( -1.079 8.276 17.619) 19.496 4.812 ( 1.079 8.276 17.619) 19.496 5.058 ( -0.565 8.392 -0.128) 8.412 5.058 ( 0.565 8.392 -0.128) 8.412 5.221 ( -0.068 6.442 4.116) 7.645 5.221 ( 0.068 6.442 4.116) 7.645 5.418 ( -0.257 -7.154 2.686) 7.645 5.418 ( 0.257 -7.154 2.686) 7.645 6.423 ( -0.285 2.807 7.775) 8.271 6.423 ( 0.285 2.807 7.775) 8.271 6.797 ( -0.212 3.334 -3.334) 4.720 6.797 ( 0.212 3.334 -3.334) 4.720 7.430 ( -1.222 0.505 3.324) 3.577 7.430 ( 1.222 0.505 3.324) 3.577 7.533 ( -0.981 1.492 2.857) 3.369 7.533 ( 0.981 1.492 2.857) 3.369 7.937 ( -1.384 -2.678 -10.907) 11.316 7.937 ( 1.384 -2.678 -10.907) 11.316 8.007 ( -0.723 -4.033 -12.505) 13.159 8.007 ( 0.723 -4.033 -12.505) 13.159 8.382 ( -0.157 -2.970 -2.784) 4.074 8.382 ( 0.157 -2.970 -2.784) 4.074 8.876 ( -0.109 -2.946 -8.664) 9.152 8.876 ( 0.109 -2.946 -8.664) 9.152 10.550 ( -0.391 0.674 3.964) 4.040 10.550 ( 0.391 0.674 3.964) 4.040 10.610 ( -0.296 0.714 2.967) 3.066 10.610 ( 0.296 0.714 2.967) 3.066 10.669 ( -0.290 -0.310 2.492) 2.528 10.669 ( 0.290 -0.310 2.492) 2.528 10.745 ( -0.135 -0.056 2.223) 2.228 10.745 ( 0.135 -0.056 2.223) 2.228 11.708 ( -0.021 0.645 5.176) 5.216 11.708 ( 0.021 0.645 5.176) 5.216 11.985 ( -0.044 0.792 3.362) 3.455 11.985 ( 0.044 0.792 3.362) 3.455 12.522 ( -0.031 -0.434 -7.203) 7.216 12.522 ( 0.031 -0.434 -7.203) 7.216 12.900 ( -0.205 -0.856 -9.109) 9.152 12.900 ( 0.205 -0.856 -9.109) 9.152 13.420 ( -0.194 0.690 2.922) 3.008 13.420 ( 0.194 0.690 2.922) 3.008 13.698 ( -0.307 -0.323 -1.960) 2.010 13.698 ( 0.307 -0.323 -1.960) 2.010 13.845 ( -0.205 2.630 2.480) 3.621 13.845 ( 0.205 2.630 2.480) 3.621 14.051 ( -0.633 0.739 -0.856) 1.296 14.051 ( 0.633 0.739 -0.856) 1.296 14.471 ( -0.105 1.395 7.258) 7.392 14.471 ( 0.105 1.395 7.258) 7.392 14.543 ( -0.188 1.555 7.382) 7.546 14.543 ( 0.188 1.555 7.382) 7.546 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 0.000 25.749) 25.749 1.480 ( 0.000 0.000 14.315) 14.315 2.165 ( 0.000 0.000 30.567) 30.567 2.210 ( 0.000 0.000 25.719) 25.719 2.414 ( 0.000 0.000 17.077) 17.077 2.434 ( 0.000 0.000 7.695) 7.695 2.697 ( 0.000 0.000 -1.486) 1.486 2.710 ( 0.000 0.000 -2.430) 2.430 2.721 ( 0.000 0.000 -0.334) 0.334 2.768 ( 0.000 0.000 -3.269) 3.269 2.769 ( 0.000 0.000 7.701) 7.701 2.887 ( 0.000 0.000 -2.077) 2.077 3.514 ( 0.000 0.000 16.648) 16.648 3.653 ( 0.000 0.000 20.781) 20.781 3.808 ( 0.000 0.000 4.818) 4.818 3.990 ( 0.000 0.000 7.227) 7.227 4.301 ( 0.000 0.000 15.683) 15.683 4.388 ( 0.000 0.000 5.803) 5.803 4.438 ( 0.000 0.000 1.506) 1.506 4.466 ( 0.000 0.000 1.507) 1.507 4.678 ( 0.000 0.000 0.816) 0.816 4.744 ( 0.000 0.000 0.706) 0.706 5.215 ( 0.000 0.000 0.801) 0.801 5.240 ( 0.000 0.000 3.876) 3.876 5.437 ( 0.000 0.000 -8.183) 8.183 5.483 ( 0.000 0.000 -13.658) 13.658 5.486 ( 0.000 0.000 -5.991) 5.991 5.601 ( 0.000 0.000 -10.915) 10.915 6.110 ( 0.000 0.000 -0.073) 0.073 6.213 ( 0.000 0.000 6.645) 6.645 6.276 ( 0.000 0.000 -3.300) 3.300 6.302 ( 0.000 0.000 5.808) 5.808 7.304 ( 0.000 0.000 8.136) 8.136 7.307 ( 0.000 0.000 7.895) 7.895 7.331 ( 0.000 0.000 11.263) 11.263 7.488 ( 0.000 0.000 5.864) 5.864 8.108 ( 0.000 0.000 -7.421) 7.421 8.224 ( 0.000 0.000 -8.071) 8.071 8.316 ( 0.000 0.000 -10.827) 10.827 8.335 ( 0.000 0.000 -9.070) 9.070 8.671 ( 0.000 0.000 -3.634) 3.634 8.690 ( 0.000 0.000 -3.061) 3.061 9.069 ( 0.000 0.000 -13.487) 13.487 9.086 ( 0.000 0.000 -13.171) 13.171 10.486 ( 0.000 0.000 3.301) 3.301 10.556 ( 0.000 0.000 4.207) 4.207 10.579 ( 0.000 0.000 2.935) 2.935 10.632 ( 0.000 0.000 3.345) 3.345 10.647 ( 0.000 0.000 -1.335) 1.335 10.698 ( 0.000 0.000 -0.695) 0.695 10.727 ( 0.000 0.000 -1.176) 1.176 10.731 ( 0.000 0.000 -0.163) 0.163 11.785 ( 0.000 0.000 10.184) 10.184 11.811 ( 0.000 0.000 9.815) 9.815 12.069 ( 0.000 0.000 10.133) 10.133 12.131 ( 0.000 0.000 8.647) 8.647 12.376 ( 0.000 0.000 -8.318) 8.318 12.382 ( 0.000 0.000 -8.793) 8.793 12.824 ( 0.000 0.000 -12.283) 12.283 12.829 ( 0.000 0.000 -11.082) 11.082 13.345 ( 0.000 0.000 5.385) 5.385 13.416 ( 0.000 0.000 6.671) 6.671 13.463 ( 0.000 0.000 5.597) 5.597 13.500 ( 0.000 0.000 4.755) 4.755 13.621 ( 0.000 0.000 -3.188) 3.188 13.738 ( 0.000 0.000 -4.158) 4.158 13.741 ( 0.000 0.000 -5.297) 5.297 13.831 ( 0.000 0.000 -6.912) 6.912 14.356 ( 0.000 0.000 5.387) 5.387 14.358 ( 0.000 0.000 5.360) 5.360 14.386 ( 0.000 0.000 4.185) 4.185 14.402 ( 0.000 0.000 3.833) 3.833 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 4.331 0.000 23.494) 23.889 1.454 ( -2.808 0.000 15.515) 15.767 2.172 ( 0.714 0.000 29.958) 29.967 2.204 ( -0.623 0.000 26.523) 26.530 2.415 ( 0.185 0.000 15.721) 15.722 2.431 ( -0.337 0.000 9.743) 9.749 2.698 ( 0.160 0.000 -1.241) 1.251 2.712 ( 0.286 0.000 -2.676) 2.691 2.716 ( -0.543 0.000 -0.438) 0.697 2.739 ( -1.240 0.000 -0.843) 1.499 2.807 ( 2.149 0.000 3.440) 4.057 2.876 ( -1.180 0.000 -0.777) 1.413 3.528 ( 1.422 0.000 17.161) 17.220 3.618 ( -2.859 0.000 19.538) 19.746 3.852 ( 3.798 0.000 5.184) 6.427 3.974 ( -1.763 0.000 6.351) 6.591 4.308 ( 0.830 0.000 14.817) 14.840 4.369 ( -1.793 0.000 7.737) 7.942 4.442 ( 0.497 0.000 1.771) 1.839 4.463 ( -0.319 0.000 1.498) 1.531 4.687 ( 0.918 0.000 0.583) 1.087 4.735 ( -1.011 0.000 0.492) 1.124 5.214 ( 0.125 0.000 1.461) 1.467 5.236 ( -0.516 0.000 3.257) 3.298 5.447 ( 0.965 0.000 -7.670) 7.731 5.481 ( -0.530 0.000 -6.190) 6.213 5.488 ( 0.638 0.000 -12.955) 12.971 5.565 ( -3.058 0.000 -10.679) 11.109 6.157 ( 4.149 0.000 -1.294) 4.346 6.228 ( 1.456 0.000 6.553) 6.713 6.268 ( -1.022 0.000 -3.201) 3.360 6.291 ( -1.195 0.000 5.962) 6.080 7.307 ( 0.272 0.000 8.517) 8.521 7.326 ( -0.530 0.000 10.719) 10.732 7.326 ( 2.033 0.000 7.588) 7.855 7.454 ( -3.355 0.000 6.065) 6.931 8.130 ( 2.099 0.000 -7.391) 7.684 8.211 ( -1.371 0.000 -7.903) 8.021 8.320 ( 0.384 0.000 -10.534) 10.541 8.334 ( -0.175 0.000 -9.298) 9.299 8.673 ( 0.215 0.000 -3.536) 3.542 8.687 ( -0.338 0.000 -3.133) 3.151 9.071 ( 0.172 0.000 -13.395) 13.396 9.083 ( -0.328 0.000 -13.160) 13.164 10.492 ( 0.668 0.000 3.363) 3.428 10.535 ( -1.459 0.000 3.746) 4.020 10.597 ( 1.204 0.000 3.322) 3.534 10.628 ( -0.417 0.000 3.355) 3.380 10.653 ( 0.634 0.000 -1.300) 1.446 10.688 ( -0.891 0.000 -0.936) 1.292 10.730 ( 0.194 0.000 -0.827) 0.849 10.732 ( 0.066 0.000 -0.308) 0.315 11.789 ( 0.380 0.000 10.124) 10.131 11.807 ( -0.373 0.000 9.865) 9.872 12.077 ( 0.837 0.000 10.010) 10.045 12.121 ( -1.021 0.000 8.976) 9.034 12.377 ( 0.081 0.000 -8.388) 8.388 12.381 ( -0.082 0.000 -8.722) 8.723 12.825 ( 0.097 0.000 -12.052) 12.052 12.829 ( -0.029 0.000 -11.310) 11.310 13.354 ( 0.935 0.000 5.453) 5.532 13.403 ( -1.187 0.000 6.231) 6.343 13.470 ( 0.626 0.000 5.786) 5.819 13.495 ( -0.520 0.000 5.090) 5.117 13.634 ( 1.280 0.000 -3.308) 3.547 13.704 ( -2.023 0.000 -4.103) 4.574 13.771 ( 1.609 0.000 -5.453) 5.685 13.822 ( -0.897 0.000 -6.713) 6.773 14.356 ( 0.028 0.000 5.380) 5.381 14.357 ( -0.024 0.000 5.359) 5.359 14.388 ( 0.228 0.000 4.140) 4.146 14.399 ( -0.250 0.000 3.889) 3.898 ======================= Grid point 137 (48/75) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -4.981 0.000 18.994) 19.636 1.379 ( 4.981 0.000 18.994) 19.636 2.188 ( -0.960 0.000 28.341) 28.357 2.188 ( 0.960 0.000 28.341) 28.357 2.422 ( -0.505 0.000 13.072) 13.082 2.422 ( 0.505 0.000 13.072) 13.082 2.705 ( -0.535 0.000 -0.768) 0.936 2.705 ( 0.535 0.000 -0.768) 0.936 2.721 ( -0.698 0.000 -2.699) 2.788 2.721 ( 0.698 0.000 -2.699) 2.788 2.846 ( -1.934 0.000 1.885) 2.701 2.846 ( 1.934 0.000 1.885) 2.701 3.566 ( -2.550 0.000 18.321) 18.498 3.566 ( 2.550 0.000 18.321) 18.498 3.924 ( -3.497 0.000 5.138) 6.215 3.924 ( 3.497 0.000 5.138) 6.215 4.333 ( -1.803 0.000 11.888) 12.024 4.333 ( 1.803 0.000 11.888) 12.024 4.454 ( -0.614 0.000 1.727) 1.833 4.454 ( 0.614 0.000 1.727) 1.833 4.710 ( -1.439 0.000 0.316) 1.473 4.710 ( 1.439 0.000 0.316) 1.473 5.223 ( -0.746 0.000 2.391) 2.505 5.223 ( 0.746 0.000 2.391) 2.505 5.467 ( -1.004 0.000 -6.786) 6.860 5.467 ( 1.004 0.000 -6.786) 6.860 5.513 ( -2.172 0.000 -11.474) 11.677 5.513 ( 2.172 0.000 -11.474) 11.677 6.231 ( -3.133 0.000 -2.687) 4.128 6.231 ( 3.133 0.000 -2.687) 4.128 6.261 ( -1.879 0.000 6.288) 6.563 6.261 ( 1.879 0.000 6.288) 6.563 7.315 ( -0.569 0.000 9.536) 9.553 7.315 ( 0.569 0.000 9.536) 9.553 7.382 ( -3.769 0.000 6.787) 7.763 7.382 ( 3.769 0.000 6.787) 7.763 8.175 ( -2.355 0.000 -7.561) 7.920 8.175 ( 2.355 0.000 -7.561) 7.920 8.328 ( -0.387 0.000 -9.884) 9.891 8.328 ( 0.387 0.000 -9.884) 9.891 8.679 ( -0.396 0.000 -3.321) 3.344 8.679 ( 0.396 0.000 -3.321) 3.344 9.076 ( -0.350 0.000 -13.227) 13.232 9.076 ( 0.350 0.000 -13.227) 13.232 10.510 ( -1.212 0.000 3.521) 3.724 10.510 ( 1.212 0.000 3.521) 3.724 10.616 ( -0.856 0.000 3.371) 3.478 10.616 ( 0.856 0.000 3.371) 3.478 10.669 ( -1.002 0.000 -1.178) 1.547 10.669 ( 1.002 0.000 -1.178) 1.547 10.732 ( -0.058 0.000 -0.507) 0.510 10.732 ( 0.058 0.000 -0.507) 0.510 11.798 ( -0.527 0.000 9.990) 10.004 11.798 ( 0.527 0.000 9.990) 10.004 12.098 ( -1.308 0.000 9.594) 9.683 12.098 ( 1.308 0.000 9.594) 9.683 12.379 ( -0.116 0.000 -8.554) 8.555 12.379 ( 0.116 0.000 -8.554) 8.555 12.827 ( -0.127 0.000 -11.679) 11.680 12.827 ( 0.127 0.000 -11.679) 11.680 13.377 ( -1.419 0.000 5.713) 5.886 13.377 ( 1.419 0.000 5.713) 5.886 13.483 ( -0.706 0.000 5.641) 5.685 13.483 ( 0.706 0.000 5.641) 5.685 13.666 ( -1.996 0.000 -3.633) 4.145 13.666 ( 1.996 0.000 -3.633) 4.145 13.800 ( -1.418 0.000 -6.166) 6.327 13.800 ( 1.418 0.000 -6.166) 6.327 14.357 ( -0.039 0.000 5.366) 5.366 14.357 ( 0.039 0.000 5.366) 5.366 14.393 ( -0.339 0.000 4.020) 4.035 14.393 ( 0.339 0.000 4.020) 4.035 ======================= Grid point 140 (49/75) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 5.157 24.626) 25.160 1.498 ( 0.000 2.020 14.332) 14.474 2.357 ( 0.000 13.710 14.168) 19.716 2.374 ( 0.000 12.721 13.203) 18.334 2.523 ( 0.000 9.373 12.296) 15.461 2.537 ( 0.000 11.988 19.890) 23.223 2.617 ( 0.000 -4.276 -0.816) 4.353 2.644 ( 0.000 -5.635 -0.329) 5.645 2.731 ( 0.000 -0.163 -4.257) 4.260 2.775 ( 0.000 -0.360 -4.114) 4.130 2.944 ( 0.000 17.404 13.972) 22.319 3.020 ( 0.000 13.524 3.566) 13.987 3.616 ( 0.000 9.863 14.125) 17.227 3.767 ( 0.000 11.408 18.402) 21.651 3.882 ( 0.000 7.191 4.890) 8.696 4.065 ( 0.000 7.118 7.163) 10.098 4.332 ( 0.000 3.101 15.518) 15.825 4.405 ( 0.000 1.235 4.580) 4.744 4.470 ( 0.000 -4.067 0.612) 4.113 4.511 ( 0.000 6.301 2.582) 6.810 4.593 ( 0.000 -3.481 1.718) 3.882 4.637 ( 0.000 -9.895 2.454) 10.195 5.197 ( 0.000 -2.280 1.327) 2.638 5.210 ( 0.000 -2.390 4.114) 4.758 5.364 ( 0.000 -9.558 -13.013) 16.146 5.438 ( 0.000 -0.758 -7.158) 7.198 5.469 ( 0.000 -3.168 -6.125) 6.896 5.495 ( 0.000 -8.170 -9.766) 12.733 6.144 ( 0.000 4.130 3.525) 5.430 6.277 ( 0.000 1.695 1.037) 1.987 6.302 ( 0.000 7.832 4.379) 8.973 6.382 ( 0.000 6.172 2.571) 6.686 7.341 ( 0.000 3.271 7.833) 8.488 7.357 ( 0.000 4.519 6.538) 7.948 7.382 ( 0.000 4.599 10.293) 11.273 7.524 ( 0.000 3.130 5.385) 6.229 8.052 ( 0.000 -5.540 -7.826) 9.589 8.171 ( 0.000 -5.237 -8.540) 10.018 8.263 ( 0.000 -5.374 -10.982) 12.226 8.281 ( 0.000 -5.460 -9.282) 10.769 8.625 ( 0.000 -4.360 -3.707) 5.723 8.643 ( 0.000 -4.401 -3.052) 5.356 9.017 ( 0.000 -4.971 -13.304) 14.202 9.035 ( 0.000 -4.880 -12.805) 13.704 10.504 ( 0.000 1.796 3.391) 3.837 10.563 ( 0.000 0.671 4.260) 4.313 10.592 ( 0.000 1.236 3.029) 3.271 10.637 ( 0.000 0.445 3.352) 3.382 10.658 ( 0.000 0.968 -0.906) 1.326 10.705 ( 0.000 0.682 -0.287) 0.740 10.734 ( 0.000 0.609 -0.984) 1.157 10.738 ( 0.000 0.661 -0.087) 0.666 11.791 ( 0.000 0.547 9.894) 9.909 11.811 ( 0.000 0.069 9.595) 9.596 12.067 ( 0.000 -0.147 9.729) 9.730 12.112 ( 0.000 -1.608 8.731) 8.878 12.380 ( 0.000 0.264 -8.570) 8.574 12.384 ( 0.000 0.212 -8.839) 8.842 12.808 ( 0.000 -1.942 -11.238) 11.404 12.810 ( 0.000 -1.330 -12.275) 12.347 13.364 ( 0.000 1.786 4.980) 5.291 13.433 ( 0.000 1.555 6.149) 6.342 13.512 ( 0.000 4.615 5.108) 6.884 13.542 ( 0.000 4.009 4.919) 6.346 13.638 ( 0.000 1.510 -3.145) 3.489 13.752 ( 0.000 0.947 -3.994) 4.104 13.771 ( 0.000 2.998 -4.613) 5.502 13.853 ( 0.000 2.371 -6.359) 6.786 14.381 ( 0.000 2.730 5.603) 6.233 14.387 ( 0.000 2.925 5.437) 6.174 14.428 ( 0.000 3.814 3.930) 5.477 14.429 ( 0.000 2.689 4.015) 4.832 ======================= Grid point 141 (50/75) ======================= q-point: ( 0.25 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 3.744 4.564 22.659) 23.415 1.475 ( -2.441 2.374 15.450) 15.821 2.360 ( 0.256 13.464 13.990) 19.418 2.372 ( -0.245 12.774 13.286) 18.433 2.525 ( 0.273 10.025 14.167) 17.357 2.537 ( -0.094 11.531 18.362) 21.683 2.619 ( 0.270 -4.369 -0.670) 4.428 2.639 ( -0.560 -5.349 -0.378) 5.391 2.734 ( 0.363 -0.014 -4.095) 4.111 2.764 ( -0.977 0.094 -3.744) 3.871 2.957 ( 1.271 16.286 11.969) 20.251 3.010 ( -1.023 13.789 4.919) 14.676 3.630 ( 1.499 9.980 14.686) 17.819 3.726 ( -3.150 10.682 16.965) 20.294 3.931 ( 3.954 7.724 5.397) 10.218 4.051 ( -1.622 7.308 6.272) 9.766 4.339 ( 0.765 3.005 14.439) 14.768 4.390 ( -1.400 1.602 6.685) 7.015 4.476 ( 0.580 -2.863 0.634) 2.989 4.505 ( -0.584 4.559 2.527) 5.246 4.598 ( 0.564 -4.349 1.773) 4.730 4.630 ( -0.704 -8.651 2.324) 8.985 5.195 ( -0.009 -2.090 2.054) 2.931 5.207 ( -0.340 -2.603 3.420) 4.311 5.375 ( 1.137 -9.492 -12.430) 15.681 5.443 ( 0.344 -1.225 -6.899) 7.016 5.457 ( -1.792 -8.069 -9.748) 12.781 5.473 ( -1.183 -2.292 -5.970) 6.504 6.178 ( 3.105 3.303 2.876) 5.368 6.269 ( -1.008 1.813 1.409) 2.508 6.317 ( 1.465 7.580 3.875) 8.638 6.373 ( -0.909 6.349 2.556) 6.904 7.356 ( 0.809 4.139 8.123) 9.153 7.364 ( 1.436 3.623 6.338) 7.441 7.377 ( -0.496 4.589 9.710) 10.751 7.489 ( -3.355 3.114 5.545) 7.191 8.075 ( 2.201 -5.419 -7.791) 9.742 8.158 ( -1.388 -5.249 -8.354) 9.963 8.267 ( 0.386 -5.365 -10.700) 11.976 8.279 ( -0.150 -5.434 -9.503) 10.948 8.627 ( 0.203 -4.370 -3.594) 5.661 8.640 ( -0.333 -4.399 -3.134) 5.411 9.019 ( 0.197 -4.942 -13.197) 14.093 9.031 ( -0.324 -4.877 -12.837) 13.736 10.510 ( 0.574 1.708 3.457) 3.898 10.547 ( -1.213 1.094 3.887) 4.216 10.606 ( 1.002 0.854 3.315) 3.567 10.633 ( -0.388 0.471 3.341) 3.396 10.664 ( 0.602 0.943 -0.851) 1.406 10.696 ( -0.835 0.739 -0.529) 1.234 10.736 ( 0.203 0.613 -0.676) 0.935 10.739 ( 0.054 0.646 -0.178) 0.672 11.794 ( 0.306 0.481 9.844) 9.860 11.808 ( -0.286 0.144 9.635) 9.640 12.073 ( 0.608 -0.335 9.638) 9.663 12.104 ( -0.728 -1.365 8.939) 9.072 12.381 ( 0.056 0.254 -8.601) 8.605 12.384 ( -0.068 0.218 -8.792) 8.795 12.808 ( 0.048 -1.785 -11.492) 11.630 12.810 ( 0.004 -1.501 -12.012) 12.106 13.374 ( 0.954 1.792 5.064) 5.456 13.422 ( -1.097 1.672 5.835) 6.168 13.517 ( 0.473 4.454 5.233) 6.888 13.537 ( -0.436 4.081 5.065) 6.519 13.651 ( 1.320 1.521 -3.224) 3.801 13.723 ( -2.049 1.514 -3.781) 4.560 13.795 ( 1.592 2.446 -4.952) 5.748 13.845 ( -0.843 2.403 -6.140) 6.647 14.382 ( 0.086 2.737 5.588) 6.223 14.386 ( -0.077 2.885 5.461) 6.177 14.427 ( -0.024 3.642 3.964) 5.383 14.428 ( -0.065 2.841 4.025) 4.927 ======================= Grid point 142 (51/75) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.336 3.353 18.640) 19.429 1.410 ( 4.336 3.353 18.640) 19.429 2.366 ( -0.363 13.021 13.599) 18.831 2.366 ( 0.363 13.021 13.599) 18.831 2.532 ( -0.384 10.881 16.450) 19.727 2.532 ( 0.384 10.881 16.450) 19.727 2.627 ( -0.556 -4.761 -0.476) 4.817 2.627 ( 0.556 -4.761 -0.476) 4.817 2.746 ( -0.879 0.257 -3.765) 3.875 2.746 ( 0.879 0.257 -3.765) 3.875 2.985 ( -1.553 14.689 8.209) 16.899 2.985 ( 1.553 14.689 8.209) 16.899 3.670 ( -2.684 10.257 15.881) 19.095 3.670 ( 2.684 10.257 15.881) 19.095 4.003 ( -3.398 7.644 5.101) 9.798 4.003 ( 3.398 7.644 5.101) 9.798 4.361 ( -1.501 2.477 11.107) 11.478 4.361 ( 1.501 2.477 11.107) 11.478 4.491 ( -0.887 0.475 1.550) 1.848 4.491 ( 0.887 0.475 1.550) 1.848 4.613 ( -0.998 -6.239 2.046) 6.641 4.613 ( 0.998 -6.239 2.046) 6.641 5.199 ( -0.376 -2.346 2.799) 3.671 5.199 ( 0.376 -2.346 2.799) 3.671 5.407 ( -2.357 -9.464 -11.410) 15.010 5.407 ( 2.357 -9.464 -11.410) 15.010 5.458 ( -0.737 -0.858 -5.721) 5.832 5.458 ( 0.737 -0.858 -5.721) 5.832 6.235 ( -2.562 2.278 2.116) 4.029 6.235 ( 2.562 2.278 2.116) 4.029 6.348 ( -1.685 6.905 2.909) 7.680 6.348 ( 1.685 6.905 2.909) 7.680 7.365 ( -0.558 4.537 8.533) 9.680 7.365 ( 0.558 4.537 8.533) 9.680 7.418 ( -3.725 3.181 6.177) 7.884 7.418 ( 3.725 3.181 6.177) 7.884 8.121 ( -2.405 -5.289 -7.979) 9.870 8.121 ( 2.405 -5.289 -7.979) 9.870 8.274 ( -0.364 -5.384 -10.071) 11.426 8.274 ( 0.364 -5.384 -10.071) 11.426 8.633 ( -0.385 -4.387 -3.348) 5.532 8.633 ( 0.385 -4.387 -3.348) 5.532 9.025 ( -0.365 -4.894 -12.980) 13.876 9.025 ( 0.365 -4.894 -12.980) 13.876 10.525 ( -1.043 1.465 3.630) 4.051 10.525 ( 1.043 1.465 3.630) 4.051 10.623 ( -0.759 0.590 3.366) 3.501 10.623 ( 0.759 0.590 3.366) 3.501 10.679 ( -0.934 0.853 -0.750) 1.471 10.679 ( 0.934 0.853 -0.750) 1.471 10.739 ( -0.060 0.626 -0.364) 0.726 10.739 ( 0.060 0.626 -0.364) 0.726 11.801 ( -0.415 0.317 9.734) 9.748 11.801 ( 0.415 0.317 9.734) 9.748 12.088 ( -0.945 -0.823 9.346) 9.430 12.088 ( 0.945 -0.823 9.346) 9.430 12.382 ( -0.091 0.234 -8.688) 8.692 12.382 ( 0.091 0.234 -8.688) 8.692 12.810 ( -0.078 -1.650 -11.748) 11.864 12.810 ( 0.078 -1.650 -11.748) 11.864 13.397 ( -1.413 1.776 5.352) 5.814 13.397 ( 1.413 1.776 5.352) 5.814 13.527 ( -0.597 4.239 5.268) 6.788 13.527 ( 0.597 4.239 5.268) 6.788 13.683 ( -2.047 1.531 -3.455) 4.298 13.683 ( 2.047 1.531 -3.455) 4.298 13.824 ( -1.378 2.439 -5.588) 6.251 13.824 ( 1.378 2.439 -5.588) 6.251 14.384 ( -0.130 2.793 5.529) 6.196 14.384 ( 0.130 2.793 5.529) 6.196 14.427 ( -0.023 3.233 4.016) 5.156 14.427 ( 0.023 3.233 4.016) 5.156 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 10.254 21.526) 23.843 1.570 ( 0.000 5.559 14.133) 15.188 2.438 ( 0.000 -6.079 -0.181) 6.082 2.482 ( 0.000 -7.142 2.189) 7.470 2.534 ( 0.000 3.379 -6.843) 7.631 2.568 ( 0.000 6.015 -3.728) 7.077 2.706 ( 0.000 -1.890 -5.424) 5.744 2.750 ( 0.000 -1.915 -5.391) 5.721 2.925 ( 0.000 22.566 23.151) 32.330 2.941 ( 0.000 23.948 23.944) 33.865 3.360 ( 0.000 22.272 15.300) 27.021 3.370 ( 0.000 19.855 10.656) 22.534 3.837 ( 0.000 8.718 1.996) 8.944 4.056 ( 0.000 13.983 6.809) 15.553 4.060 ( 0.000 8.109 3.683) 8.906 4.195 ( 0.000 -2.938 5.211) 5.982 4.213 ( 0.000 -14.214 0.140) 14.215 4.314 ( 0.000 -7.653 -5.834) 9.623 4.442 ( 0.000 8.821 14.267) 16.774 4.483 ( 0.000 4.929 13.629) 14.493 4.678 ( 0.000 8.059 6.533) 10.375 4.727 ( 0.000 12.092 8.393) 14.719 5.049 ( 0.000 -12.485 -6.428) 14.042 5.133 ( 0.000 -7.863 2.517) 8.256 5.217 ( 0.000 -3.416 -2.312) 4.125 5.268 ( 0.000 -8.053 -7.271) 10.850 5.445 ( 0.000 1.729 -3.031) 3.489 5.476 ( 0.000 1.665 -1.577) 2.293 6.275 ( 0.000 8.686 7.079) 11.205 6.345 ( 0.000 4.901 3.499) 6.022 6.483 ( 0.000 9.917 3.397) 10.483 6.524 ( 0.000 8.012 2.698) 8.454 7.409 ( 0.000 3.091 5.451) 6.266 7.455 ( 0.000 4.680 4.628) 6.582 7.481 ( 0.000 4.690 7.831) 9.128 7.584 ( 0.000 2.305 3.801) 4.445 7.902 ( 0.000 -9.235 -9.233) 13.058 8.026 ( 0.000 -9.046 -9.996) 13.482 8.112 ( 0.000 -9.566 -11.231) 14.753 8.126 ( 0.000 -9.898 -9.876) 13.982 8.521 ( 0.000 -5.559 -3.177) 6.403 8.539 ( 0.000 -5.602 -2.450) 6.115 8.895 ( 0.000 -6.848 -12.455) 14.213 8.915 ( 0.000 -6.680 -11.724) 13.494 10.550 ( 0.000 2.635 3.591) 4.454 10.581 ( 0.000 1.194 4.214) 4.380 10.621 ( 0.000 1.476 3.321) 3.634 10.647 ( 0.000 0.532 3.288) 3.331 10.679 ( 0.000 1.032 0.108) 1.037 10.719 ( 0.000 0.618 0.607) 0.866 10.749 ( 0.000 0.859 -0.526) 1.007 10.755 ( 0.000 0.900 0.102) 0.906 11.805 ( 0.000 0.826 9.102) 9.140 11.815 ( 0.000 0.376 8.923) 8.931 12.066 ( 0.000 0.083 8.703) 8.703 12.083 ( 0.000 -1.019 8.247) 8.310 12.381 ( 0.000 -0.276 -8.957) 8.962 12.386 ( 0.000 -0.180 -8.962) 8.964 12.761 ( 0.000 -2.603 -11.593) 11.882 12.775 ( 0.000 -2.112 -12.266) 12.446 13.406 ( 0.000 2.208 4.160) 4.710 13.465 ( 0.000 1.494 5.061) 5.277 13.611 ( 0.000 3.722 0.900) 3.829 13.640 ( 0.000 5.017 3.670) 6.216 13.687 ( 0.000 4.524 0.201) 4.528 13.765 ( 0.000 0.819 -2.623) 2.747 13.853 ( 0.000 5.003 -3.030) 5.849 13.922 ( 0.000 4.295 -4.515) 6.231 14.458 ( 0.000 4.703 5.946) 7.581 14.465 ( 0.000 4.666 5.612) 7.299 14.503 ( 0.000 4.597 4.524) 6.450 14.520 ( 0.000 5.170 4.133) 6.619 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.292 9.410 20.186) 22.390 1.557 ( -1.448 6.112 14.977) 16.240 2.442 ( 0.443 -6.180 0.212) 6.199 2.472 ( -0.858 -6.802 1.809) 7.091 2.539 ( 0.558 3.552 -6.348) 7.295 2.563 ( -0.476 5.469 -4.181) 6.901 2.712 ( 0.637 -1.761 -5.364) 5.682 2.743 ( -0.667 -1.807 -5.375) 5.710 2.927 ( 0.274 22.715 23.207) 32.475 2.939 ( -0.205 23.691 23.768) 33.559 3.359 ( -0.032 21.832 14.662) 26.298 3.366 ( -0.315 20.128 11.433) 23.151 3.859 ( 2.215 9.409 2.853) 10.078 3.985 ( -3.926 11.827 6.000) 13.831 4.126 ( 3.270 7.921 2.985) 9.074 4.192 ( -0.403 -2.497 3.377) 4.219 4.226 ( 1.276 -13.011 0.417) 13.080 4.295 ( -1.780 -7.600 -4.562) 9.041 4.445 ( 0.319 8.411 14.443) 16.717 4.474 ( -0.889 5.742 13.749) 14.926 4.688 ( 0.898 8.501 6.825) 10.939 4.721 ( -0.587 11.443 8.156) 14.064 5.058 ( 0.890 -12.029 -5.210) 13.139 5.115 ( -1.623 -8.919 0.821) 9.103 5.224 ( 0.609 -3.644 -2.138) 4.269 5.257 ( -1.012 -6.726 -5.856) 8.975 5.450 ( 0.494 1.717 -2.866) 3.377 5.472 ( -0.456 1.683 -1.821) 2.521 6.293 ( 1.653 7.849 6.380) 10.249 6.341 ( -0.468 5.254 3.920) 6.572 6.491 ( 0.763 9.565 3.218) 10.121 6.520 ( -0.463 8.224 2.743) 8.681 7.427 ( 1.889 2.991 5.312) 6.382 7.456 ( 0.172 4.593 4.827) 6.665 7.475 ( -0.541 4.654 7.215) 8.603 7.549 ( -3.259 2.356 3.772) 5.514 7.928 ( 2.422 -9.036 -9.075) 13.034 8.013 ( -1.378 -9.020 -9.744) 13.349 8.116 ( 0.374 -9.582 -11.014) 14.603 8.126 ( -0.067 -9.830 -10.051) 14.059 8.523 ( 0.186 -5.570 -3.047) 6.352 8.535 ( -0.328 -5.601 -2.538) 6.158 8.897 ( 0.272 -6.803 -12.324) 14.080 8.912 ( -0.336 -6.684 -11.806) 13.571 10.553 ( 0.327 2.489 3.658) 4.436 10.574 ( -0.643 1.565 4.054) 4.393 10.627 ( 0.546 1.178 3.382) 3.623 10.644 ( -0.275 0.602 3.305) 3.371 10.684 ( 0.526 0.991 0.133) 1.130 10.712 ( -0.698 0.727 0.388) 1.080 10.751 ( 0.198 0.813 -0.275) 0.880 10.755 ( 0.018 0.882 0.061) 0.885 11.807 ( 0.161 0.756 9.073) 9.105 11.814 ( -0.137 0.439 8.946) 8.958 12.068 ( 0.240 -0.063 8.649) 8.652 12.080 ( -0.288 -0.843 8.328) 8.375 12.382 ( 0.069 -0.258 -8.947) 8.951 12.385 ( -0.077 -0.192 -8.952) 8.954 12.763 ( 0.227 -2.532 -11.689) 11.962 12.773 ( -0.194 -2.189 -12.163) 12.360 13.415 ( 0.883 2.129 4.247) 4.832 13.457 ( -0.886 1.633 4.875) 5.217 13.615 ( 0.436 3.951 1.409) 4.217 13.635 ( -0.435 4.842 3.340) 5.898 13.697 ( 0.978 4.051 -0.204) 4.172 13.750 ( -1.386 1.617 -2.167) 3.038 13.867 ( 1.283 4.604 -3.349) 5.836 13.914 ( -0.838 4.298 -4.336) 6.163 14.459 ( 0.067 4.683 5.917) 7.546 14.464 ( -0.139 4.646 5.676) 7.336 14.505 ( 0.222 4.701 4.481) 6.499 14.517 ( -0.282 5.100 4.203) 6.615 ======================= Grid point 147 (54/75) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -2.652 7.617 17.336) 19.120 1.518 ( 2.652 7.617 17.336) 19.120 2.455 ( -0.882 -6.419 1.052) 6.565 2.455 ( 0.882 -6.419 1.052) 6.565 2.552 ( -0.708 4.374 -5.277) 6.890 2.552 ( 0.708 4.374 -5.277) 6.890 2.727 ( -0.951 -1.667 -5.333) 5.667 2.727 ( 0.951 -1.667 -5.333) 5.667 2.934 ( -0.348 23.148 23.425) 32.934 2.934 ( 0.348 23.148 23.425) 32.934 3.361 ( -0.207 20.899 13.119) 24.677 3.361 ( 0.207 20.899 13.119) 24.677 3.914 ( -3.536 10.867 4.749) 12.375 3.914 ( 3.536 10.867 4.749) 12.375 4.174 ( -1.722 1.960 1.770) 3.153 4.174 ( 1.722 1.960 1.770) 3.153 4.258 ( -2.008 -9.866 -1.493) 10.179 4.258 ( 2.008 -9.866 -1.493) 10.179 4.456 ( -0.836 7.348 14.279) 16.080 4.456 ( 0.836 7.348 14.279) 16.080 4.706 ( -0.984 9.880 7.525) 12.458 4.706 ( 0.984 9.880 7.525) 12.458 5.082 ( -1.670 -10.763 -2.299) 11.132 5.082 ( 1.670 -10.763 -2.299) 11.132 5.238 ( -0.906 -4.654 -3.351) 5.806 5.238 ( 0.906 -4.654 -3.351) 5.806 5.461 ( -0.650 1.695 -2.383) 2.996 5.461 ( 0.650 1.695 -2.383) 2.996 6.324 ( -1.401 6.329 5.032) 8.206 6.324 ( 1.401 6.329 5.032) 8.206 6.507 ( -0.841 8.819 2.909) 9.324 6.507 ( 0.841 8.819 2.909) 9.324 7.460 ( -0.338 4.211 6.105) 7.424 7.460 ( 0.338 4.211 6.105) 7.424 7.484 ( -3.089 3.047 4.224) 6.056 7.484 ( 3.089 3.047 4.224) 6.056 7.976 ( -2.445 -8.959 -9.266) 13.119 7.976 ( 2.445 -8.959 -9.266) 13.119 8.123 ( -0.278 -9.683 -10.510) 14.293 8.123 ( 0.278 -9.683 -10.510) 14.293 8.528 ( -0.369 -5.591 -2.771) 6.250 8.528 ( 0.369 -5.591 -2.771) 6.250 8.904 ( -0.427 -6.723 -12.041) 13.797 8.904 ( 0.427 -6.723 -12.041) 13.797 10.562 ( -0.609 2.098 3.831) 4.410 10.562 ( 0.609 2.098 3.831) 4.410 10.637 ( -0.494 0.816 3.367) 3.500 10.637 ( 0.494 0.816 3.367) 3.500 10.697 ( -0.796 0.881 0.196) 1.204 10.697 ( 0.796 0.881 0.196) 1.204 10.754 ( -0.098 0.828 -0.041) 0.835 10.754 ( 0.098 0.828 -0.041) 0.835 11.810 ( -0.209 0.595 9.006) 9.028 11.810 ( 0.209 0.595 9.006) 9.028 12.074 ( -0.375 -0.438 8.502) 8.521 12.074 ( 0.375 -0.438 8.502) 8.521 12.383 ( -0.104 -0.223 -8.940) 8.943 12.383 ( 0.104 -0.223 -8.940) 8.943 12.769 ( -0.302 -2.364 -11.922) 12.158 12.769 ( 0.302 -2.364 -11.922) 12.158 13.436 ( -1.249 1.910 4.512) 5.056 13.436 ( 1.249 1.910 4.512) 5.056 13.625 ( -0.588 4.431 2.479) 5.111 13.625 ( 0.588 4.431 2.479) 5.111 13.721 ( -1.538 2.900 -1.203) 3.496 13.721 ( 1.538 2.900 -1.203) 3.496 13.893 ( -1.366 4.344 -3.886) 5.986 13.893 ( 1.366 4.344 -3.886) 5.986 14.461 ( -0.156 4.646 5.814) 7.444 14.461 ( 0.156 4.646 5.814) 7.444 14.510 ( -0.360 4.917 4.355) 6.578 14.510 ( 0.360 4.917 4.355) 6.578 ======================= Grid point 150 (55/75) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 12.538 17.642) 21.643 1.719 ( 0.000 9.321 13.732) 16.597 2.297 ( 0.000 -7.017 1.954) 7.284 2.338 ( 0.000 -6.912 3.241) 7.634 2.627 ( 0.000 4.936 -7.205) 8.734 2.666 ( 0.000 2.984 -3.836) 4.860 2.669 ( 0.000 -1.322 -7.022) 7.146 2.712 ( 0.000 -1.333 -6.301) 6.440 3.358 ( 0.000 20.875 21.874) 30.237 3.381 ( 0.000 20.345 22.604) 30.411 3.716 ( 0.000 8.600 14.306) 16.692 3.766 ( 0.000 17.399 14.051) 22.365 3.859 ( 0.000 -0.744 -6.409) 6.452 3.868 ( 0.000 -16.900 -0.384) 16.905 3.896 ( 0.000 -8.235 -10.200) 13.109 4.108 ( 0.000 -7.023 -5.905) 9.175 4.250 ( 0.000 1.340 2.061) 2.458 4.341 ( 0.000 -2.350 -3.351) 4.093 4.638 ( 0.000 2.689 0.053) 2.690 4.656 ( 0.000 3.519 0.871) 3.625 4.820 ( 0.000 3.977 5.812) 7.043 4.939 ( 0.000 11.114 13.400) 17.409 4.976 ( 0.000 0.513 3.118) 3.160 5.003 ( 0.000 14.961 18.507) 23.798 5.194 ( 0.000 1.514 1.626) 2.221 5.206 ( 0.000 -0.030 2.516) 2.516 5.500 ( 0.000 2.988 1.452) 3.322 5.533 ( 0.000 2.785 1.931) 3.389 6.458 ( 0.000 9.162 9.323) 13.072 6.459 ( 0.000 6.509 6.309) 9.065 6.671 ( 0.000 8.591 3.325) 9.212 6.687 ( 0.000 8.062 2.992) 8.599 7.451 ( 0.000 0.977 2.931) 3.089 7.519 ( 0.000 1.283 1.622) 2.068 7.540 ( 0.000 0.611 4.493) 4.534 7.594 ( 0.000 -1.522 1.036) 1.841 7.726 ( 0.000 -6.885 -11.961) 13.801 7.846 ( 0.000 -7.993 -12.395) 14.749 7.908 ( 0.000 -10.427 -11.753) 15.711 7.910 ( 0.000 -11.350 -11.090) 15.869 8.426 ( 0.000 -3.836 -0.736) 3.906 8.441 ( 0.000 -4.035 -0.318) 4.047 8.771 ( 0.000 -5.197 -10.415) 11.639 8.792 ( 0.000 -5.436 -9.824) 11.228 10.599 ( 0.000 1.927 4.446) 4.846 10.613 ( 0.000 2.285 3.169) 3.906 10.642 ( 0.000 0.522 3.951) 3.985 10.660 ( 0.000 0.939 2.867) 3.017 10.695 ( 0.000 0.556 1.128) 1.258 10.725 ( 0.000 -0.126 1.349) 1.355 10.765 ( 0.000 0.712 0.036) 0.713 10.770 ( 0.000 0.619 0.419) 0.747 11.821 ( 0.000 0.703 8.076) 8.107 11.824 ( 0.000 0.482 7.983) 7.998 12.071 ( 0.000 0.423 7.415) 7.428 12.075 ( 0.000 0.051 7.124) 7.124 12.370 ( 0.000 -0.754 -9.125) 9.156 12.376 ( 0.000 -0.775 -9.085) 9.118 12.713 ( 0.000 -2.095 -11.808) 11.993 12.731 ( 0.000 -2.260 -12.146) 12.355 13.445 ( 0.000 1.725 3.478) 3.883 13.486 ( 0.000 0.546 4.033) 4.070 13.642 ( 0.000 0.472 -2.629) 2.671 13.685 ( 0.000 -0.409 -1.791) 1.837 13.808 ( 0.000 6.272 3.260) 7.068 13.824 ( 0.000 4.771 2.904) 5.586 13.952 ( 0.000 4.667 -1.582) 4.928 14.003 ( 0.000 3.434 -2.680) 4.356 14.550 ( 0.000 4.200 6.384) 7.642 14.555 ( 0.000 4.042 5.969) 7.209 14.598 ( 0.000 4.646 5.052) 6.863 14.617 ( 0.000 4.333 4.783) 6.454 ======================= Grid point 151 (56/75) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.851 11.969 16.945) 20.763 1.716 ( -0.418 9.705 14.191) 17.197 2.301 ( 0.404 -7.029 2.164) 7.365 2.329 ( -0.788 -6.943 3.084) 7.638 2.631 ( 0.453 4.545 -6.648) 8.066 2.655 ( -0.653 2.469 -4.967) 5.585 2.680 ( 0.764 -0.499 -6.226) 6.292 2.708 ( -0.488 -1.242 -6.443) 6.580 3.361 ( 0.340 20.816 21.908) 30.222 3.378 ( -0.351 20.433 22.426) 30.341 3.718 ( 0.312 9.520 14.196) 17.095 3.752 ( -1.232 14.767 13.865) 20.293 3.863 ( 0.625 -9.753 -4.625) 10.812 3.886 ( 0.102 -6.617 -7.309) 9.860 3.912 ( 2.965 -7.813 -4.974) 9.724 4.069 ( -3.700 -5.630 -5.377) 8.619 4.272 ( 1.869 -0.310 0.750) 2.038 4.332 ( -0.962 -2.245 -2.663) 3.613 4.639 ( 0.112 2.602 0.193) 2.611 4.652 ( -0.444 3.149 0.631) 3.242 4.833 ( 1.400 4.293 6.286) 7.740 4.912 ( -2.224 6.598 9.509) 11.786 4.988 ( 0.772 6.626 8.380) 10.711 5.003 ( -0.037 14.128 17.023) 22.122 5.197 ( 0.242 1.179 2.051) 2.378 5.205 ( -0.131 0.194 2.547) 2.558 5.505 ( 0.490 2.925 1.475) 3.313 5.528 ( -0.496 2.788 1.821) 3.367 6.462 ( 0.307 8.275 8.438) 11.822 6.463 ( 0.275 7.136 7.048) 10.034 6.674 ( 0.297 8.459 3.290) 9.081 6.685 ( -0.176 8.105 3.061) 8.665 7.464 ( 1.380 0.542 2.945) 3.298 7.519 ( -0.080 1.244 1.616) 2.041 7.534 ( -0.632 0.605 4.032) 4.126 7.564 ( -2.442 -0.842 0.136) 2.586 7.755 ( 2.446 -7.073 -11.205) 13.474 7.834 ( -1.265 -7.958 -11.986) 14.442 7.910 ( 0.227 -10.641 -11.643) 15.775 7.912 ( 0.165 -11.056 -11.241) 15.768 8.427 ( 0.142 -3.882 -0.640) 3.937 8.438 ( -0.316 -4.021 -0.352) 4.049 8.774 ( 0.310 -5.215 -10.301) 11.550 8.789 ( -0.306 -5.379 -9.887) 11.259 10.600 ( 0.099 1.932 4.318) 4.732 10.609 ( -0.343 2.091 3.515) 4.105 10.646 ( 0.375 0.702 3.658) 3.744 10.658 ( -0.205 0.897 2.988) 3.127 10.700 ( 0.451 0.531 1.094) 1.297 10.721 ( -0.450 0.088 1.216) 1.300 10.766 ( 0.103 0.593 0.194) 0.632 10.770 ( -0.031 0.599 0.385) 0.713 11.821 ( 0.056 0.668 8.061) 8.089 11.824 ( -0.046 0.512 7.995) 8.012 12.071 ( 0.049 0.376 7.373) 7.383 12.074 ( -0.060 0.114 7.169) 7.171 12.371 ( 0.091 -0.755 -9.115) 9.146 12.375 ( -0.091 -0.770 -9.086) 9.119 12.716 ( 0.279 -2.121 -11.856) 12.048 12.728 ( -0.252 -2.238 -12.096) 12.303 13.452 ( 0.633 1.564 3.537) 3.919 13.480 ( -0.570 0.730 3.928) 4.036 13.648 ( 0.554 0.328 -2.502) 2.583 13.677 ( -0.718 -0.281 -1.910) 2.060 13.811 ( 0.276 6.113 3.254) 6.930 13.822 ( -0.182 5.099 2.966) 5.901 13.960 ( 0.797 4.382 -1.756) 4.788 13.996 ( -0.724 3.542 -2.527) 4.411 14.550 ( 0.033 4.187 6.334) 7.593 14.554 ( -0.114 4.075 6.040) 7.287 14.600 ( 0.267 4.597 5.011) 6.806 14.614 ( -0.303 4.377 4.821) 6.519 ======================= Grid point 152 (57/75) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.933 10.745 15.448) 18.840 1.703 ( 0.933 10.745 15.448) 18.840 2.313 ( -0.849 -7.008 2.652) 7.541 2.313 ( 0.849 -7.008 2.652) 7.541 2.642 ( -0.676 3.607 -5.581) 6.680 2.642 ( 0.676 3.607 -5.581) 6.680 2.695 ( -0.794 -0.967 -6.521) 6.640 2.695 ( 0.794 -0.967 -6.521) 6.640 3.370 ( -0.488 20.639 22.095) 30.239 3.370 ( 0.488 20.639 22.095) 30.239 3.730 ( -0.952 11.664 13.946) 18.206 3.730 ( 0.952 11.664 13.946) 18.206 3.877 ( -0.778 -8.952 -6.088) 10.854 3.877 ( 0.778 -8.952 -6.088) 10.854 3.988 ( -4.556 -5.111 -5.016) 8.488 3.988 ( 4.556 -5.111 -5.016) 8.488 4.307 ( -1.695 -1.728 -1.064) 2.644 4.307 ( 1.695 -1.728 -1.064) 2.644 4.643 ( -0.383 2.663 0.368) 2.716 4.643 ( 0.383 2.663 0.368) 2.716 4.868 ( -2.237 4.888 7.451) 9.188 4.868 ( 2.237 4.888 7.451) 9.188 4.999 ( -0.405 11.441 13.322) 17.565 4.999 ( 0.405 11.441 13.322) 17.565 5.202 ( -0.222 0.654 2.527) 2.620 5.202 ( 0.222 0.654 2.527) 2.620 5.516 ( -0.685 2.826 1.603) 3.320 5.516 ( 0.685 2.826 1.603) 3.320 6.466 ( -0.024 7.577 7.670) 10.782 6.466 ( 0.024 7.577 7.670) 10.782 6.680 ( -0.335 8.238 3.195) 8.842 6.680 ( 0.335 8.238 3.195) 8.842 7.499 ( -2.103 -0.295 3.169) 3.815 7.499 ( 2.103 -0.295 3.169) 3.815 7.531 ( -0.762 1.214 0.816) 1.649 7.531 ( 0.762 1.214 0.816) 1.649 7.801 ( -2.215 -7.625 -11.325) 13.832 7.801 ( 2.215 -7.625 -11.325) 13.832 7.913 ( -0.037 -10.821 -11.446) 15.751 7.913 ( 0.037 -10.821 -11.446) 15.751 8.431 ( -0.329 -3.968 -0.465) 4.008 8.431 ( 0.329 -3.968 -0.465) 4.008 8.781 ( -0.435 -5.278 -10.069) 11.376 8.781 ( 0.435 -5.278 -10.069) 11.376 10.603 ( -0.256 1.957 3.985) 4.446 10.603 ( 0.256 1.957 3.985) 4.446 10.653 ( -0.332 0.832 3.280) 3.400 10.653 ( 0.332 0.832 3.280) 3.400 10.710 ( -0.620 0.389 1.080) 1.305 10.710 ( 0.620 0.389 1.080) 1.305 10.768 ( -0.150 0.539 0.342) 0.656 10.768 ( 0.150 0.539 0.342) 0.656 11.823 ( -0.071 0.587 8.027) 8.048 11.823 ( 0.071 0.587 8.027) 8.048 12.073 ( -0.079 0.254 7.273) 7.278 12.073 ( 0.079 0.254 7.273) 7.278 12.373 ( -0.128 -0.761 -9.096) 9.129 12.373 ( 0.128 -0.761 -9.096) 9.129 12.722 ( -0.376 -2.181 -11.975) 12.178 12.722 ( 0.376 -2.181 -11.975) 12.178 13.466 ( -0.854 1.158 3.709) 3.979 13.466 ( 0.854 1.158 3.709) 3.979 13.662 ( -0.875 0.013 -2.202) 2.369 13.662 ( 0.875 0.013 -2.202) 2.369 13.817 ( -0.324 5.687 3.136) 6.503 13.817 ( 0.324 5.687 3.136) 6.503 13.978 ( -1.069 3.879 -2.152) 4.563 13.978 ( 1.069 3.879 -2.152) 4.563 14.551 ( -0.105 4.141 6.198) 7.455 14.551 ( 0.105 4.141 6.198) 7.455 14.607 ( -0.403 4.485 4.915) 6.666 14.607 ( 0.403 4.485 4.915) 6.666 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 8.609 14.372) 16.753 1.908 ( 0.000 7.991 13.826) 15.969 2.178 ( 0.000 -4.379 2.268) 4.932 2.207 ( 0.000 -6.236 3.273) 7.043 2.648 ( 0.000 0.163 -1.979) 1.986 2.667 ( 0.000 -1.339 2.183) 2.561 2.711 ( 0.000 1.983 -5.988) 6.308 2.715 ( 0.000 0.613 -7.146) 7.172 3.587 ( 0.000 -4.113 1.996) 4.572 3.624 ( 0.000 -6.022 -3.041) 6.746 3.713 ( 0.000 9.405 9.259) 13.198 3.783 ( 0.000 15.830 10.828) 19.179 3.828 ( 0.000 10.277 -3.140) 10.746 3.888 ( 0.000 -9.214 -4.191) 10.122 4.065 ( 0.000 -0.570 3.489) 3.535 4.091 ( 0.000 4.858 3.544) 6.014 4.145 ( 0.000 -1.339 4.254) 4.460 4.160 ( 0.000 -9.541 4.319) 10.473 4.524 ( 0.000 -7.104 -1.603) 7.282 4.543 ( 0.000 -8.505 -3.119) 9.059 4.988 ( 0.000 8.440 5.197) 9.912 5.067 ( 0.000 1.861 2.246) 2.917 5.167 ( 0.000 4.731 11.126) 12.090 5.183 ( 0.000 1.389 12.294) 12.372 5.324 ( 0.000 12.046 6.659) 13.765 5.344 ( 0.000 12.166 9.467) 15.416 5.515 ( 0.000 -2.475 6.178) 6.656 5.527 ( 0.000 -4.314 6.002) 7.391 6.586 ( 0.000 5.284 9.198) 10.607 6.603 ( 0.000 4.281 10.563) 11.398 6.796 ( 0.000 3.561 3.279) 4.840 6.806 ( 0.000 2.936 3.371) 4.470 7.447 ( 0.000 -0.024 0.998) 0.998 7.497 ( 0.000 -3.878 1.217) 4.064 7.520 ( 0.000 0.132 -3.666) 3.669 7.542 ( 0.000 -2.717 -2.635) 3.785 7.672 ( 0.000 -0.040 -11.163) 11.163 7.722 ( 0.000 -6.351 -12.407) 13.938 7.746 ( 0.000 -2.563 -13.289) 13.533 7.747 ( 0.000 -4.182 -13.495) 14.128 8.377 ( 0.000 -1.002 2.198) 2.415 8.385 ( 0.000 -1.662 2.226) 2.778 8.703 ( 0.000 -1.522 -8.161) 8.302 8.712 ( 0.000 -2.397 -7.984) 8.336 10.628 ( 0.000 1.136 4.429) 4.573 10.643 ( 0.000 -0.379 4.207) 4.224 10.662 ( 0.000 2.182 2.679) 3.455 10.678 ( 0.000 0.544 2.646) 2.701 10.701 ( 0.000 0.071 1.848) 1.849 10.712 ( 0.000 -1.088 1.880) 2.172 10.775 ( 0.000 0.336 0.500) 0.602 10.778 ( 0.000 0.127 0.632) 0.644 11.831 ( 0.000 0.280 7.305) 7.310 11.832 ( 0.000 0.199 7.275) 7.277 12.079 ( 0.000 0.282 6.405) 6.411 12.079 ( 0.000 0.234 6.282) 6.286 12.357 ( 0.000 -0.326 -9.165) 9.171 12.361 ( 0.000 -0.605 -9.157) 9.177 12.686 ( 0.000 -0.551 -11.829) 11.842 12.694 ( 0.000 -1.314 -11.930) 12.002 13.473 ( 0.000 1.085 3.162) 3.343 13.488 ( 0.000 -0.355 3.347) 3.366 13.649 ( 0.000 0.445 -2.531) 2.570 13.664 ( 0.000 -1.110 -2.436) 2.677 13.900 ( 0.000 2.542 3.191) 4.080 13.901 ( 0.000 2.311 3.407) 4.117 14.025 ( 0.000 2.503 -0.897) 2.659 14.044 ( 0.000 0.584 -1.352) 1.473 14.610 ( 0.000 1.699 6.652) 6.865 14.612 ( 0.000 1.530 6.459) 6.638 14.669 ( 0.000 2.201 5.280) 5.720 14.677 ( 0.000 1.442 5.206) 5.402 ======================= Grid point 156 (59/75) ======================= q-point: ( 0.25 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.282 8.560 14.249) 16.625 1.909 ( 0.030 8.109 13.872) 16.068 2.179 ( 0.181 -4.725 2.440) 5.321 2.200 ( -0.659 -5.981 3.175) 6.804 2.652 ( 0.402 0.119 -1.190) 1.262 2.667 ( -0.078 -0.934 2.379) 2.557 2.708 ( -0.239 1.273 -7.330) 7.443 2.713 ( -0.249 0.684 -6.636) 6.676 3.599 ( 1.235 -3.199 1.766) 3.857 3.635 ( 0.511 -3.508 -0.951) 3.670 3.724 ( 1.590 6.557 7.030) 9.744 3.785 ( 0.109 16.424 11.051) 19.797 3.820 ( -0.721 8.413 -2.726) 8.873 3.865 ( -2.362 -7.896 -6.467) 10.476 4.066 ( 0.201 -0.271 4.071) 4.085 4.086 ( -0.509 3.483 3.690) 5.100 4.147 ( 0.221 -2.781 4.786) 5.540 4.158 ( -0.181 -7.398 4.501) 8.662 4.523 ( -0.040 -7.424 -1.495) 7.573 4.537 ( -0.600 -8.165 -2.646) 8.604 5.001 ( 1.262 7.747 4.852) 9.228 5.057 ( -1.114 3.820 2.760) 4.843 5.167 ( 0.575 2.364 11.985) 12.229 5.192 ( 0.327 2.458 11.120) 11.393 5.325 ( 0.162 12.105 7.130) 14.049 5.340 ( -0.378 12.162 9.027) 15.151 5.517 ( 0.136 -2.730 6.145) 6.725 5.525 ( -0.227 -4.029 6.027) 7.253 6.590 ( 0.424 5.116 9.409) 10.719 6.603 ( -0.065 4.438 10.364) 11.274 6.797 ( 0.115 3.380 3.317) 4.737 6.805 ( -0.184 2.987 3.364) 4.503 7.449 ( 0.416 -0.857 0.900) 1.311 7.497 ( -1.013 -2.321 0.964) 2.710 7.517 ( 0.339 -1.524 -2.599) 3.032 7.536 ( -0.329 -0.929 -3.649) 3.780 7.681 ( 0.862 -1.750 -11.475) 11.640 7.723 ( -0.797 -4.517 -12.242) 13.073 7.736 ( 0.433 -4.149 -13.302) 13.940 7.755 ( 0.097 -3.480 -13.352) 13.798 8.377 ( -0.016 -1.130 2.259) 2.526 8.382 ( -0.221 -1.565 2.264) 2.761 8.705 ( 0.159 -1.664 -8.103) 8.274 8.712 ( -0.106 -2.238 -7.989) 8.297 10.628 ( 0.108 1.052 4.353) 4.480 10.638 ( -0.367 0.274 4.104) 4.130 10.665 ( 0.244 1.375 2.889) 3.209 10.675 ( -0.274 0.512 2.788) 2.847 10.705 ( 0.370 0.040 1.743) 1.782 10.713 ( 0.045 -0.715 1.758) 1.898 10.774 ( -0.053 0.231 0.572) 0.619 10.777 ( -0.073 0.158 0.621) 0.645 11.831 ( 0.013 0.267 7.300) 7.305 11.831 ( -0.007 0.211 7.279) 7.282 12.079 ( 0.007 0.275 6.373) 6.379 12.079 ( 0.001 0.247 6.311) 6.316 12.358 ( 0.049 -0.366 -9.162) 9.170 12.360 ( -0.043 -0.562 -9.156) 9.173 12.687 ( 0.130 -0.665 -11.844) 11.863 12.693 ( -0.111 -1.204 -11.916) 11.977 13.476 ( 0.254 0.876 3.176) 3.304 13.486 ( -0.173 -0.143 3.306) 3.313 13.651 ( 0.164 0.217 -2.477) 2.491 13.661 ( -0.290 -0.859 -2.417) 2.581 13.901 ( 0.132 2.487 3.265) 4.107 13.903 ( 0.118 2.420 3.234) 4.041 14.027 ( 0.216 2.183 -0.930) 2.383 14.041 ( -0.366 0.819 -1.259) 1.545 14.610 ( -0.001 1.677 6.619) 6.828 14.612 ( -0.047 1.564 6.488) 6.674 14.670 ( 0.092 2.087 5.270) 5.669 14.675 ( -0.140 1.551 5.216) 5.444 ======================= Grid point 157 (60/75) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -0.208 8.372 14.021) 16.331 1.907 ( 0.208 8.372 14.021) 16.331 2.186 ( -0.642 -5.402 2.846) 6.140 2.186 ( 0.642 -5.402 2.846) 6.140 2.661 ( -0.506 -0.151 0.945) 1.083 2.661 ( 0.506 -0.151 0.945) 1.083 2.707 ( -0.232 0.583 -7.259) 7.286 2.707 ( 0.232 0.583 -7.259) 7.286 3.625 ( -1.300 -1.470 1.521) 2.482 3.625 ( 1.300 -1.470 1.521) 2.482 3.771 ( -2.318 10.314 9.555) 14.250 3.771 ( 2.318 10.314 9.555) 14.250 3.819 ( -1.410 -0.186 -7.156) 7.296 3.819 ( 1.410 -0.186 -7.156) 7.296 4.075 ( -0.646 1.066 4.278) 4.455 4.075 ( 0.646 1.066 4.278) 4.455 4.153 ( -0.370 -4.687 4.903) 6.793 4.153 ( 0.370 -4.687 4.903) 6.793 4.526 ( -0.440 -7.789 -1.795) 8.005 4.526 ( 0.440 -7.789 -1.795) 8.005 5.029 ( -1.656 6.163 4.018) 7.541 5.029 ( 1.656 6.163 4.018) 7.541 5.185 ( -0.986 2.027 11.277) 11.500 5.185 ( 0.986 2.027 11.277) 11.500 5.332 ( -0.492 12.153 8.092) 14.609 5.332 ( 0.492 12.153 8.092) 14.609 5.520 ( -0.248 -3.364 6.082) 6.954 5.520 ( 0.248 -3.364 6.082) 6.954 6.599 ( -0.388 4.772 9.892) 10.990 6.599 ( 0.388 4.772 9.892) 10.990 6.800 ( -0.254 3.119 3.357) 4.589 6.800 ( 0.254 3.119 3.357) 4.589 7.467 ( -1.542 -1.670 0.570) 2.343 7.467 ( 1.542 -1.670 0.570) 2.343 7.528 ( -0.553 -0.815 -2.857) 3.022 7.528 ( 0.553 -0.815 -2.857) 3.022 7.701 ( -1.203 -3.451 -12.123) 12.662 7.701 ( 1.203 -3.451 -12.123) 12.662 7.750 ( -0.634 -3.781 -13.125) 13.674 7.750 ( 0.634 -3.781 -13.125) 13.674 8.378 ( -0.167 -1.364 2.312) 2.689 8.378 ( 0.167 -1.364 2.312) 2.689 8.708 ( -0.214 -1.943 -8.020) 8.255 8.708 ( 0.214 -1.943 -8.020) 8.255 10.632 ( -0.277 0.808 4.185) 4.271 10.632 ( 0.277 0.808 4.185) 4.271 10.670 ( -0.277 0.692 2.956) 3.048 10.670 ( 0.277 0.692 2.956) 3.048 10.711 ( -0.276 -0.189 1.645) 1.678 10.711 ( 0.276 -0.189 1.645) 1.678 10.775 ( -0.146 0.153 0.631) 0.665 10.775 ( 0.146 0.153 0.631) 0.665 11.831 ( -0.014 0.239 7.289) 7.293 11.831 ( 0.014 0.239 7.289) 7.293 12.079 ( -0.010 0.264 6.341) 6.346 12.079 ( 0.010 0.264 6.341) 6.346 12.359 ( -0.065 -0.463 -9.157) 9.169 12.359 ( 0.065 -0.463 -9.157) 9.169 12.690 ( -0.171 -0.936 -11.880) 11.918 12.690 ( 0.171 -0.936 -11.880) 11.918 13.481 ( -0.304 0.368 3.227) 3.262 13.481 ( 0.304 0.368 3.227) 3.262 13.655 ( -0.328 -0.311 -2.410) 2.452 13.655 ( 0.328 -0.311 -2.410) 2.452 13.903 ( -0.091 2.485 3.200) 4.053 13.903 ( 0.091 2.485 3.200) 4.053 14.033 ( -0.425 1.455 -1.064) 1.852 14.033 ( 0.425 1.455 -1.064) 1.852 14.611 ( -0.039 1.627 6.551) 6.750 14.611 ( 0.039 1.627 6.551) 6.750 14.672 ( -0.165 1.816 5.243) 5.551 14.672 ( 0.165 1.816 5.243) 5.551 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 0.000 25.459) 25.459 1.802 ( 0.000 0.000 17.958) 17.958 2.157 ( 0.000 0.000 -16.941) 16.941 2.204 ( 0.000 0.000 -18.985) 18.985 2.652 ( 0.000 0.000 1.194) 1.194 2.668 ( 0.000 0.000 -1.190) 1.190 2.675 ( 0.000 0.000 3.293) 3.293 2.703 ( 0.000 0.000 -1.054) 1.054 2.917 ( 0.000 0.000 30.350) 30.350 2.962 ( 0.000 0.000 24.357) 24.357 3.099 ( 0.000 0.000 21.009) 21.009 3.176 ( 0.000 0.000 25.754) 25.754 3.403 ( 0.000 0.000 -18.070) 18.070 3.489 ( 0.000 0.000 -25.005) 25.005 3.559 ( 0.000 0.000 -22.788) 22.788 3.676 ( 0.000 0.000 -24.216) 24.216 4.654 ( 0.000 0.000 12.059) 12.059 4.657 ( 0.000 0.000 11.708) 11.708 4.723 ( 0.000 0.000 2.213) 2.213 4.757 ( 0.000 0.000 -0.446) 0.446 4.820 ( 0.000 0.000 24.260) 24.260 4.880 ( 0.000 0.000 25.698) 25.698 5.193 ( 0.000 0.000 -6.556) 6.556 5.230 ( 0.000 0.000 -9.253) 9.253 5.252 ( 0.000 0.000 -9.621) 9.621 5.261 ( 0.000 0.000 -7.461) 7.461 5.359 ( 0.000 0.000 -0.694) 0.694 5.431 ( 0.000 0.000 -6.124) 6.124 6.173 ( 0.000 0.000 5.740) 5.740 6.266 ( 0.000 0.000 -1.825) 1.825 6.280 ( 0.000 0.000 3.487) 3.487 6.350 ( 0.000 0.000 -1.488) 1.488 7.417 ( 0.000 0.000 3.312) 3.312 7.424 ( 0.000 0.000 3.057) 3.057 7.504 ( 0.000 0.000 6.117) 6.117 7.560 ( 0.000 0.000 0.679) 0.679 8.024 ( 0.000 0.000 -0.003) 0.003 8.117 ( 0.000 0.000 -8.588) 8.588 8.121 ( 0.000 0.000 -1.412) 1.412 8.176 ( 0.000 0.000 -6.349) 6.349 8.668 ( 0.000 0.000 3.906) 3.906 8.696 ( 0.000 0.000 4.169) 4.169 8.821 ( 0.000 0.000 -11.035) 11.035 8.847 ( 0.000 0.000 -10.588) 10.588 10.551 ( 0.000 0.000 3.258) 3.258 10.609 ( 0.000 0.000 -2.538) 2.538 10.633 ( 0.000 0.000 2.509) 2.509 10.633 ( 0.000 0.000 3.567) 3.567 10.674 ( 0.000 0.000 -1.681) 1.681 10.688 ( 0.000 0.000 2.271) 2.271 10.693 ( 0.000 0.000 -2.397) 2.397 10.720 ( 0.000 0.000 -1.052) 1.052 11.992 ( 0.000 0.000 10.615) 10.615 12.007 ( 0.000 0.000 10.016) 10.016 12.196 ( 0.000 0.000 -10.041) 10.041 12.200 ( 0.000 0.000 -9.526) 9.526 12.294 ( 0.000 0.000 12.727) 12.727 12.334 ( 0.000 0.000 11.839) 11.839 12.560 ( 0.000 0.000 -14.008) 14.008 12.584 ( 0.000 0.000 -13.210) 13.210 13.450 ( 0.000 0.000 5.311) 5.311 13.543 ( 0.000 0.000 6.401) 6.401 13.549 ( 0.000 0.000 -4.463) 4.463 13.562 ( 0.000 0.000 4.477) 4.477 13.595 ( 0.000 0.000 4.750) 4.750 13.645 ( 0.000 0.000 -4.332) 4.332 13.657 ( 0.000 0.000 -4.670) 4.670 13.696 ( 0.000 0.000 -6.234) 6.234 14.434 ( 0.000 0.000 2.352) 2.352 14.438 ( 0.000 0.000 2.533) 2.533 14.443 ( 0.000 0.000 1.408) 1.408 14.452 ( 0.000 0.000 1.049) 1.049 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.012 0.000 24.152) 24.173 1.797 ( -0.572 0.000 18.860) 18.869 2.163 ( 0.696 0.000 -17.188) 17.202 2.197 ( -0.707 0.000 -18.625) 18.639 2.656 ( 0.348 0.000 1.488) 1.528 2.672 ( 0.442 0.000 -1.099) 1.185 2.672 ( -0.336 0.000 2.977) 2.996 2.697 ( -0.580 0.000 -1.017) 1.171 2.923 ( 0.612 0.000 29.634) 29.640 2.955 ( -0.736 0.000 25.502) 25.513 3.112 ( 1.265 0.000 21.468) 21.505 3.167 ( -1.004 0.000 24.862) 24.882 3.416 ( 1.286 0.000 -18.737) 18.781 3.475 ( -1.294 0.000 -23.291) 23.327 3.577 ( 1.737 0.000 -23.703) 23.767 3.658 ( -1.767 0.000 -24.222) 24.286 4.652 ( -0.067 0.000 11.646) 11.646 4.656 ( -0.110 0.000 11.633) 11.634 4.723 ( 0.141 0.000 1.786) 1.792 4.747 ( -0.879 0.000 -0.189) 0.899 4.825 ( 0.561 0.000 24.243) 24.250 4.866 ( -1.284 0.000 24.966) 24.999 5.195 ( 0.151 0.000 -7.354) 7.355 5.213 ( -0.923 0.000 -10.442) 10.483 5.282 ( 2.184 0.000 -6.855) 7.194 5.286 ( 2.469 0.000 -6.208) 6.682 5.350 ( -1.036 0.000 -1.588) 1.896 5.404 ( -2.663 0.000 -5.435) 6.052 6.198 ( 2.393 0.000 4.902) 5.455 6.273 ( -0.863 0.000 3.456) 3.562 6.282 ( 1.535 0.000 -1.594) 2.213 6.341 ( -0.967 0.000 -1.374) 1.680 7.426 ( 0.956 0.000 3.556) 3.682 7.437 ( 1.416 0.000 2.813) 3.150 7.487 ( -1.640 0.000 5.501) 5.740 7.532 ( -2.687 0.000 1.156) 2.925 8.044 ( 1.887 0.000 -0.293) 1.910 8.111 ( -1.057 0.000 -1.256) 1.642 8.129 ( 1.106 0.000 -8.118) 8.193 8.170 ( -0.668 0.000 -6.577) 6.610 8.672 ( 0.383 0.000 3.954) 3.972 8.692 ( -0.462 0.000 4.139) 4.165 8.825 ( 0.346 0.000 -10.962) 10.967 8.843 ( -0.426 0.000 -10.645) 10.653 10.558 ( 0.736 0.000 3.268) 3.350 10.605 ( -1.547 0.000 3.199) 3.553 10.616 ( 0.708 0.000 -2.511) 2.609 10.658 ( -1.264 0.000 -2.157) 2.500 10.658 ( 1.137 0.000 2.797) 3.019 10.685 ( -0.328 0.000 2.343) 2.366 10.704 ( 0.704 0.000 -1.847) 1.977 10.719 ( -0.145 0.000 -1.153) 1.162 11.994 ( 0.228 0.000 10.527) 10.529 12.005 ( -0.224 0.000 10.105) 10.107 12.196 ( 0.060 0.000 -9.964) 9.964 12.199 ( -0.058 0.000 -9.601) 9.602 12.300 ( 0.582 0.000 12.621) 12.635 12.328 ( -0.591 0.000 11.995) 12.009 12.564 ( 0.380 0.000 -13.901) 13.906 12.581 ( -0.332 0.000 -13.340) 13.345 13.461 ( 1.068 0.000 5.370) 5.475 13.521 ( -1.693 0.000 5.774) 6.017 13.560 ( 1.155 0.000 -4.493) 4.639 13.575 ( 0.797 0.000 4.992) 5.055 13.593 ( -0.214 0.000 4.818) 4.823 13.622 ( -1.692 0.000 -4.475) 4.784 13.672 ( 0.819 0.000 -4.787) 4.856 13.693 ( -0.321 0.000 -5.940) 5.949 14.435 ( 0.045 0.000 2.377) 2.377 14.437 ( -0.051 0.000 2.504) 2.504 14.445 ( 0.123 0.000 1.357) 1.363 14.451 ( -0.135 0.000 1.103) 1.111 ======================= Grid point 182 (63/75) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -1.118 0.000 21.304) 21.333 1.781 ( 1.118 0.000 21.304) 21.333 2.180 ( -0.992 0.000 -17.851) 17.878 2.180 ( 0.992 0.000 -17.851) 17.878 2.664 ( -0.484 0.000 2.222) 2.274 2.664 ( 0.484 0.000 2.222) 2.274 2.684 ( -0.743 0.000 -0.993) 1.241 2.684 ( 0.743 0.000 -0.993) 1.241 2.938 ( -0.949 0.000 27.763) 27.779 2.938 ( 0.949 0.000 27.763) 27.779 3.141 ( -1.642 0.000 22.967) 23.026 3.141 ( 1.642 0.000 22.967) 23.026 3.446 ( -1.720 0.000 -20.682) 20.753 3.446 ( 1.720 0.000 -20.682) 20.753 3.617 ( -2.409 0.000 -24.230) 24.349 3.617 ( 2.409 0.000 -24.230) 24.349 4.653 ( -0.157 0.000 11.390) 11.391 4.653 ( 0.157 0.000 11.390) 11.391 4.731 ( -0.710 0.000 0.721) 1.012 4.731 ( 0.710 0.000 0.721) 1.012 4.841 ( -1.185 0.000 24.313) 24.341 4.841 ( 1.185 0.000 24.313) 24.341 5.200 ( -0.486 0.000 -9.312) 9.325 5.200 ( 0.486 0.000 -9.312) 9.325 5.322 ( -1.890 0.000 -3.870) 4.307 5.322 ( 1.890 0.000 -3.870) 4.307 5.344 ( -3.420 0.000 -4.959) 6.024 5.344 ( 3.420 0.000 -4.959) 6.024 6.245 ( -2.187 0.000 3.773) 4.361 6.245 ( 2.187 0.000 3.773) 4.361 6.315 ( -1.766 0.000 -1.312) 2.200 6.315 ( 1.766 0.000 -1.312) 2.200 7.452 ( -1.808 0.000 4.350) 4.710 7.452 ( 1.808 0.000 4.350) 4.710 7.477 ( -2.792 0.000 2.093) 3.489 7.477 ( 2.792 0.000 2.093) 3.489 8.082 ( -1.952 0.000 -0.832) 2.122 8.082 ( 1.952 0.000 -0.832) 2.122 8.152 ( -1.214 0.000 -7.234) 7.335 8.152 ( 1.214 0.000 -7.234) 7.335 8.681 ( -0.601 0.000 4.055) 4.099 8.681 ( 0.601 0.000 4.055) 4.099 8.833 ( -0.548 0.000 -10.794) 10.808 8.833 ( 0.548 0.000 -10.794) 10.808 10.577 ( -1.296 0.000 3.268) 3.516 10.577 ( 1.296 0.000 3.268) 3.516 10.634 ( -1.188 0.000 -2.407) 2.684 10.634 ( 1.188 0.000 -2.407) 2.684 10.675 ( -0.719 0.000 2.537) 2.637 10.675 ( 0.719 0.000 2.537) 2.637 10.714 ( -0.399 0.000 -1.428) 1.483 10.714 ( 0.399 0.000 -1.428) 1.483 11.999 ( -0.317 0.000 10.316) 10.321 11.999 ( 0.317 0.000 10.316) 10.321 12.198 ( -0.084 0.000 -9.781) 9.782 12.198 ( 0.084 0.000 -9.781) 9.782 12.314 ( -0.833 0.000 12.333) 12.362 12.314 ( 0.833 0.000 12.333) 12.362 12.573 ( -0.510 0.000 -13.633) 13.642 12.573 ( 0.510 0.000 -13.633) 13.642 13.488 ( -1.712 0.000 5.527) 5.786 13.488 ( 1.712 0.000 5.527) 5.786 13.587 ( -0.472 0.000 4.957) 4.979 13.587 ( 0.472 0.000 4.957) 4.979 13.589 ( -1.793 0.000 -4.528) 4.870 13.589 ( 1.793 0.000 -4.528) 4.870 13.685 ( -0.576 0.000 -5.318) 5.349 13.685 ( 0.576 0.000 -5.318) 5.349 14.436 ( -0.068 0.000 2.438) 2.439 14.436 ( 0.068 0.000 2.438) 2.439 14.448 ( -0.182 0.000 1.232) 1.245 14.448 ( 0.182 0.000 1.232) 1.245 ======================= Grid point 185 (64/75) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 3.311 24.744) 24.965 1.818 ( 0.000 1.778 17.812) 17.900 2.171 ( 0.000 1.549 -17.213) 17.282 2.227 ( 0.000 2.316 -19.247) 19.386 2.620 ( 0.000 -3.581 1.132) 3.756 2.658 ( 0.000 -2.946 1.645) 3.374 2.659 ( 0.000 -1.539 -2.741) 3.144 2.698 ( 0.000 -0.842 -2.328) 2.475 3.067 ( 0.000 14.961 30.072) 33.589 3.078 ( 0.000 12.314 27.154) 29.815 3.241 ( 0.000 13.334 16.929) 21.550 3.332 ( 0.000 14.385 22.276) 26.517 3.514 ( 0.000 10.337 -15.725) 18.818 3.612 ( 0.000 11.874 -23.110) 25.982 3.646 ( 0.000 8.442 -21.614) 23.204 3.775 ( 0.000 9.068 -21.723) 23.539 4.612 ( 0.000 -10.183 6.937) 12.321 4.640 ( 0.000 -4.117 8.172) 9.150 4.645 ( 0.000 -2.481 7.099) 7.520 4.700 ( 0.000 -4.826 2.027) 5.235 4.847 ( 0.000 3.437 20.609) 20.894 4.910 ( 0.000 3.668 23.983) 24.262 5.125 ( 0.000 -8.030 -7.896) 11.262 5.203 ( 0.000 -0.851 -2.254) 2.409 5.242 ( 0.000 -1.258 -5.650) 5.788 5.267 ( 0.000 1.787 -9.768) 9.930 5.330 ( 0.000 -5.335 -4.324) 6.867 5.347 ( 0.000 -3.151 -4.459) 5.460 6.246 ( 0.000 7.116 6.633) 9.728 6.327 ( 0.000 4.618 4.797) 6.658 6.344 ( 0.000 7.392 -1.675) 7.579 6.410 ( 0.000 5.685 -1.745) 5.947 7.441 ( 0.000 1.806 2.830) 3.358 7.454 ( 0.000 2.728 2.239) 3.529 7.537 ( 0.000 2.762 5.335) 6.008 7.588 ( 0.000 2.264 0.459) 2.310 7.965 ( 0.000 -5.792 0.209) 5.796 8.063 ( 0.000 -5.787 -1.415) 5.958 8.063 ( 0.000 -5.369 -8.640) 10.172 8.120 ( 0.000 -5.577 -6.406) 8.494 8.620 ( 0.000 -4.408 3.864) 5.861 8.650 ( 0.000 -4.295 4.198) 6.006 8.772 ( 0.000 -4.580 -10.915) 11.837 8.800 ( 0.000 -4.389 -10.475) 11.358 10.571 ( 0.000 1.849 3.227) 3.720 10.626 ( 0.000 1.568 -2.240) 2.734 10.642 ( 0.000 0.800 3.550) 3.639 10.647 ( 0.000 1.365 2.529) 2.874 10.688 ( 0.000 1.211 -1.431) 1.875 10.694 ( 0.000 0.551 2.260) 2.326 10.701 ( 0.000 0.809 -2.365) 2.499 10.727 ( 0.000 0.663 -1.093) 1.278 11.993 ( 0.000 0.134 10.491) 10.492 12.005 ( 0.000 -0.199 9.979) 9.981 12.195 ( 0.000 -0.067 -9.660) 9.660 12.197 ( 0.000 -0.260 -9.301) 9.304 12.288 ( 0.000 -0.596 12.043) 12.058 12.317 ( 0.000 -1.571 11.376) 11.484 12.548 ( 0.000 -1.145 -13.828) 13.875 12.563 ( 0.000 -1.960 -13.102) 13.248 13.462 ( 0.000 1.106 4.936) 5.058 13.550 ( 0.000 0.642 5.798) 5.834 13.551 ( 0.000 0.655 -3.515) 3.575 13.616 ( 0.000 4.813 3.311) 5.842 13.626 ( 0.000 2.213 2.083) 3.039 13.677 ( 0.000 2.432 -2.424) 3.434 13.688 ( 0.000 4.196 -3.786) 5.651 13.737 ( 0.000 4.030 -5.115) 6.512 14.465 ( 0.000 3.126 2.663) 4.106 14.468 ( 0.000 3.001 2.536) 3.929 14.480 ( 0.000 3.543 1.129) 3.719 14.482 ( 0.000 2.941 1.128) 3.150 ======================= Grid point 186 (65/75) ======================= q-point: ( 0.25 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.747 3.047 23.536) 23.745 1.815 ( -0.365 1.974 18.654) 18.762 2.179 ( 0.808 1.647 -17.453) 17.549 2.219 ( -0.845 2.187 -18.882) 19.027 2.625 ( 0.525 -3.501 1.219) 3.744 2.652 ( -0.584 -3.043 1.574) 3.475 2.664 ( 0.536 -1.433 -2.636) 3.048 2.692 ( -0.624 -0.923 -2.358) 2.608 3.068 ( 0.111 14.532 29.546) 32.927 3.076 ( -0.229 12.680 27.562) 30.340 3.255 ( 1.461 13.493 17.741) 22.337 3.320 ( -1.240 14.211 21.492) 25.795 3.528 ( 1.387 10.502 -16.436) 19.554 3.592 ( -1.589 11.090 -21.092) 23.883 3.671 ( 2.040 9.125 -22.547) 24.409 3.757 ( -1.804 9.092 -21.877) 23.760 4.614 ( 0.271 -9.278 6.787) 11.498 4.632 ( -0.527 -5.188 7.644) 9.254 4.649 ( 0.339 -2.623 6.459) 6.980 4.686 ( -1.308 -4.679 2.744) 5.580 4.855 ( 0.780 3.525 20.802) 21.113 4.897 ( -1.173 3.662 22.822) 23.144 5.146 ( 1.883 -6.913 -7.419) 10.314 5.195 ( -0.686 -1.418 -4.789) 5.041 5.249 ( 0.629 -1.170 -3.080) 3.354 5.283 ( 1.394 0.228 -9.010) 9.120 5.313 ( -1.748 -5.804 -2.692) 6.632 5.337 ( -0.922 -1.290 -5.532) 5.755 6.265 ( 1.808 6.560 6.017) 9.083 6.322 ( -0.628 4.834 4.803) 6.843 6.356 ( 1.231 7.098 -1.563) 7.371 6.403 ( -0.740 5.890 -1.619) 6.153 7.453 ( 1.207 2.025 2.805) 3.664 7.465 ( 1.207 2.545 2.314) 3.645 7.519 ( -1.702 2.685 4.685) 5.661 7.558 ( -2.751 2.170 0.925) 3.624 7.986 ( 1.945 -5.700 -0.141) 6.024 8.053 ( -1.025 -5.749 -1.241) 5.970 8.075 ( 1.095 -5.375 -8.156) 9.829 8.114 ( -0.629 -5.536 -6.629) 8.659 8.624 ( 0.405 -4.385 3.927) 5.900 8.645 ( -0.475 -4.307 4.162) 6.008 8.776 ( 0.384 -4.540 -10.843) 11.761 8.796 ( -0.446 -4.407 -10.531) 11.425 10.577 ( 0.656 1.775 3.245) 3.757 10.618 ( -1.377 1.298 3.253) 3.763 10.632 ( 0.632 1.535 -2.265) 2.808 10.666 ( 0.577 0.873 1.998) 2.255 10.672 ( -0.755 1.250 -1.215) 1.900 10.691 ( -0.282 0.579 2.392) 2.478 10.712 ( 0.671 0.819 -1.786) 2.076 10.726 ( -0.120 0.687 -1.182) 1.372 11.995 ( 0.176 0.087 10.414) 10.416 12.003 ( -0.165 -0.147 10.052) 10.055 12.195 ( 0.027 -0.100 -9.594) 9.595 12.197 ( -0.027 -0.231 -9.352) 9.355 12.292 ( 0.423 -0.736 11.958) 11.988 12.312 ( -0.427 -1.426 11.490) 11.586 12.550 ( 0.240 -1.270 -13.729) 13.790 12.561 ( -0.202 -1.844 -13.221) 13.351 13.473 ( 1.107 1.118 4.995) 5.237 13.533 ( -1.548 0.972 5.466) 5.764 13.562 ( 1.098 0.630 -3.332) 3.565 13.616 ( -1.072 1.528 0.206) 1.878 13.626 ( 0.796 4.560 3.322) 5.698 13.660 ( -1.042 3.826 -0.173) 3.969 13.705 ( 1.024 3.541 -4.213) 5.598 13.733 ( -0.403 3.954 -4.971) 6.365 14.466 ( 0.036 3.097 2.637) 4.068 14.468 ( -0.039 3.015 2.543) 3.945 14.480 ( 0.001 3.450 1.140) 3.634 14.481 ( -0.041 3.022 1.142) 3.230 ======================= Grid point 187 (66/75) ======================= q-point: (-0.50 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -0.793 2.476 20.913) 21.074 1.804 ( 0.793 2.476 20.913) 21.074 2.199 ( -1.167 1.900 -18.106) 18.243 2.199 ( 1.167 1.900 -18.106) 18.243 2.638 ( -0.791 -3.292 1.418) 3.671 2.638 ( 0.791 -3.292 1.418) 3.671 2.678 ( -0.834 -1.153 -2.473) 2.853 2.678 ( 0.834 -1.153 -2.473) 2.853 3.071 ( -0.246 13.577 28.502) 31.571 3.071 ( 0.246 13.577 28.502) 31.571 3.289 ( -1.921 13.843 19.623) 24.091 3.289 ( 1.921 13.843 19.623) 24.091 3.559 ( -1.836 10.792 -18.500) 21.496 3.559 ( 1.836 10.792 -18.500) 21.496 3.714 ( -2.511 9.155 -22.364) 24.295 3.714 ( 2.511 9.155 -22.364) 24.295 4.622 ( -0.527 -7.158 6.899) 9.955 4.622 ( 0.527 -7.158 6.899) 9.955 4.661 ( -1.079 -3.809 4.612) 6.079 4.661 ( 1.079 -3.809 4.612) 6.079 4.874 ( -1.163 3.679 21.507) 21.850 4.874 ( 1.163 3.679 21.507) 21.850 5.178 ( -1.232 -3.644 -7.122) 8.094 5.178 ( 1.232 -3.644 -7.122) 8.094 5.271 ( -1.879 -4.228 -1.463) 4.853 5.271 ( 1.879 -4.228 -1.463) 4.853 5.314 ( -1.443 -0.124 -6.953) 7.102 5.314 ( 1.443 -0.124 -6.953) 7.102 6.300 ( -1.655 5.534 5.119) 7.719 6.300 ( 1.655 5.534 5.119) 7.719 6.383 ( -1.392 6.450 -1.474) 6.761 6.383 ( 1.392 6.450 -1.474) 6.761 7.483 ( -1.886 2.486 3.487) 4.680 7.483 ( 1.886 2.486 3.487) 4.680 7.503 ( -2.743 2.181 1.807) 3.943 7.503 ( 2.743 2.181 1.807) 3.943 8.025 ( -1.935 -5.678 -0.763) 6.047 8.025 ( 1.935 -5.678 -0.763) 6.047 8.097 ( -1.168 -5.440 -7.273) 9.158 8.097 ( 1.168 -5.440 -7.273) 9.158 8.634 ( -0.625 -4.340 4.059) 5.975 8.634 ( 0.625 -4.340 4.059) 5.975 8.786 ( -0.588 -4.463 -10.679) 11.589 8.786 ( 0.588 -4.463 -10.679) 11.589 10.594 ( -1.163 1.577 3.273) 3.815 10.594 ( 1.163 1.577 3.273) 3.815 10.649 ( -1.082 1.376 -2.165) 2.784 10.649 ( 1.082 1.376 -2.165) 2.784 10.683 ( -0.624 0.709 2.534) 2.704 10.683 ( 0.624 0.709 2.534) 2.704 10.722 ( -0.361 0.746 -1.422) 1.645 10.722 ( 0.361 0.746 -1.422) 1.645 11.999 ( -0.238 -0.027 10.231) 10.234 11.999 ( 0.238 -0.027 10.231) 10.234 12.196 ( -0.040 -0.167 -9.466) 9.468 12.196 ( 0.040 -0.167 -9.466) 9.468 12.302 ( -0.605 -1.078 11.739) 11.804 12.302 ( 0.605 -1.078 11.739) 11.804 12.556 ( -0.321 -1.562 -13.485) 13.579 12.556 ( 0.321 -1.562 -13.485) 13.579 13.501 ( -1.744 1.117 5.174) 5.573 13.501 ( 1.744 1.117 5.174) 5.573 13.589 ( -1.603 0.790 -2.438) 3.023 13.589 ( 1.603 0.790 -2.438) 3.023 13.642 ( -0.874 4.437 2.551) 5.192 13.642 ( 0.874 4.437 2.551) 5.192 13.722 ( -0.750 3.742 -4.632) 6.002 13.722 ( 0.750 3.742 -4.632) 6.002 14.467 ( -0.057 3.048 2.581) 3.995 14.467 ( 0.057 3.048 2.581) 3.995 14.481 ( -0.027 3.231 1.153) 3.431 14.481 ( 0.027 3.231 1.153) 3.431 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.000 6.676 22.289) 23.267 1.881 ( 0.000 4.767 17.094) 17.746 2.220 ( 0.000 3.241 -16.615) 16.928 2.288 ( 0.000 3.356 -18.151) 18.458 2.530 ( 0.000 -4.702 3.057) 5.609 2.580 ( 0.000 -3.783 3.614) 5.232 2.606 ( 0.000 -3.262 -4.551) 5.599 2.659 ( 0.000 -2.436 -4.202) 4.857 3.405 ( 0.000 18.720 23.952) 30.399 3.435 ( 0.000 19.987 24.978) 31.991 3.547 ( 0.000 15.530 8.191) 17.558 3.655 ( 0.000 16.122 13.857) 21.259 3.727 ( 0.000 7.826 -8.427) 11.500 3.863 ( 0.000 12.818 -19.201) 23.087 3.905 ( 0.000 15.681 -17.569) 23.549 3.960 ( 0.000 7.273 -15.732) 17.332 4.324 ( 0.000 -16.558 11.768) 20.314 4.409 ( 0.000 -16.701 10.537) 19.747 4.562 ( 0.000 -6.592 -8.112) 10.453 4.608 ( 0.000 -6.267 -6.285) 8.876 4.953 ( 0.000 2.676 10.616) 10.948 5.000 ( 0.000 2.711 6.981) 7.489 5.051 ( 0.000 10.270 15.945) 18.966 5.145 ( 0.000 -5.419 2.835) 6.116 5.202 ( 0.000 0.936 0.889) 1.290 5.267 ( 0.000 0.475 2.422) 2.468 5.342 ( 0.000 5.837 -7.980) 9.887 5.387 ( 0.000 5.417 -7.599) 9.332 6.431 ( 0.000 10.946 8.020) 13.569 6.453 ( 0.000 7.874 7.179) 10.655 6.529 ( 0.000 10.588 -0.792) 10.618 6.555 ( 0.000 8.586 -1.540) 8.723 7.461 ( 0.000 -0.287 1.524) 1.550 7.502 ( 0.000 1.458 -1.139) 1.850 7.580 ( 0.000 0.740 2.712) 2.811 7.620 ( 0.000 0.335 -0.727) 0.800 7.808 ( 0.000 -9.706 1.250) 9.786 7.902 ( 0.000 -10.105 -1.122) 10.167 7.916 ( 0.000 -9.130 -8.345) 12.369 7.965 ( 0.000 -9.920 -6.211) 11.703 8.523 ( 0.000 -4.648 3.842) 6.031 8.554 ( 0.000 -4.720 4.314) 6.394 8.666 ( 0.000 -5.381 -10.162) 11.499 8.698 ( 0.000 -5.282 -9.807) 11.139 10.616 ( 0.000 2.573 3.032) 3.977 10.660 ( 0.000 1.423 2.200) 2.620 10.665 ( 0.000 1.736 -0.160) 1.743 10.679 ( 0.000 1.678 2.533) 3.038 10.706 ( 0.000 0.601 2.547) 2.617 10.715 ( 0.000 1.353 -1.050) 1.713 10.721 ( 0.000 1.174 -2.280) 2.565 10.743 ( 0.000 0.904 -1.260) 1.551 11.996 ( 0.000 0.051 10.094) 10.094 12.000 ( 0.000 -0.257 9.744) 9.748 12.190 ( 0.000 -0.445 -8.858) 8.869 12.192 ( 0.000 -0.286 -9.008) 9.012 12.272 ( 0.000 -0.955 10.644) 10.687 12.280 ( 0.000 -1.888 10.261) 10.433 12.516 ( 0.000 -2.539 -12.799) 13.049 12.518 ( 0.000 -1.771 -13.357) 13.474 13.489 ( 0.000 1.436 4.215) 4.453 13.562 ( 0.000 0.397 4.720) 4.736 13.568 ( 0.000 0.872 -3.704) 3.805 13.644 ( 0.000 -0.120 -3.217) 3.219 13.737 ( 0.000 6.957 3.264) 7.685 13.770 ( 0.000 6.142 3.027) 6.848 13.796 ( 0.000 6.301 -2.827) 6.906 13.840 ( 0.000 5.907 -3.879) 7.066 14.549 ( 0.000 4.878 2.610) 5.532 14.550 ( 0.000 5.106 3.084) 5.965 14.562 ( 0.000 4.936 1.277) 5.098 14.572 ( 0.000 5.369 0.896) 5.444 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.25 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 0.117 5.729 19.764) 20.578 1.883 ( 0.117 5.610 19.345) 20.142 2.229 ( 0.961 3.233 -16.766) 17.102 2.277 ( -1.077 3.304 -17.828) 18.164 2.537 ( 0.724 -4.546 3.136) 5.570 2.572 ( -0.764 -3.905 3.537) 5.324 2.614 ( 0.780 -3.111 -4.510) 5.533 2.651 ( -0.791 -2.545 -4.267) 5.031 3.407 ( 0.243 18.796 23.860) 30.375 3.427 ( -0.690 19.573 24.239) 31.163 3.565 ( 1.719 15.669 9.408) 18.357 3.639 ( -1.512 15.809 12.841) 20.423 3.752 ( 2.363 8.806 -8.546) 12.497 3.847 ( -1.663 12.576 -15.672) 20.163 3.911 ( 0.616 14.155 -18.942) 23.655 3.948 ( -1.070 8.371 -16.899) 18.889 4.333 ( 1.043 -16.455 11.395) 20.042 4.393 ( -1.520 -16.528 10.561) 19.673 4.566 ( 0.359 -6.534 -8.020) 10.351 4.596 ( -1.034 -6.253 -6.695) 9.220 4.969 ( 1.461 4.485 11.942) 12.840 5.007 ( 0.374 3.882 9.512) 10.281 5.050 ( 0.220 6.787 12.066) 13.845 5.116 ( -2.291 -4.348 2.847) 5.679 5.222 ( 1.459 0.391 1.359) 2.032 5.260 ( -0.625 0.713 2.137) 2.338 5.350 ( 0.757 5.690 -7.614) 9.535 5.381 ( -0.580 5.426 -7.497) 9.273 6.438 ( 0.674 10.365 7.743) 12.955 6.454 ( 0.000 8.204 7.173) 10.898 6.534 ( 0.563 10.253 -0.837) 10.303 6.553 ( -0.230 8.836 -1.365) 8.944 7.476 ( 1.519 -0.223 1.353) 2.047 7.510 ( 0.892 1.326 -0.727) 1.755 7.560 ( -1.952 0.572 2.028) 2.872 7.588 ( -2.776 0.231 -0.227) 2.795 7.832 ( 2.064 -9.492 0.599) 9.732 7.894 ( -0.872 -9.982 -0.923) 10.062 7.927 ( 0.999 -9.217 -7.841) 12.142 7.960 ( -0.477 -9.800 -6.420) 11.725 8.527 ( 0.441 -4.648 3.942) 6.111 8.549 ( -0.483 -4.702 4.272) 6.371 8.671 ( 0.470 -5.344 -10.101) 11.438 8.694 ( -0.477 -5.277 -9.851) 11.186 10.620 ( 0.455 2.455 3.082) 3.967 10.649 ( -0.904 1.676 3.372) 3.873 10.668 ( 0.482 1.921 -1.619) 2.558 10.688 ( 0.514 1.260 2.546) 2.887 10.701 ( -0.874 1.463 -1.348) 2.173 10.704 ( -0.160 0.670 2.479) 2.573 10.732 ( 0.560 1.075 -1.642) 2.041 10.743 ( -0.069 0.921 -1.308) 1.601 11.996 ( 0.074 0.003 10.039) 10.039 12.000 ( -0.062 -0.213 9.792) 9.795 12.190 ( 0.024 -0.423 -8.855) 8.865 12.192 ( -0.035 -0.314 -8.964) 8.970 12.273 ( 0.126 -1.088 10.574) 10.630 12.279 ( -0.116 -1.745 10.311) 10.458 12.517 ( 0.039 -2.381 -12.916) 13.134 12.518 ( -0.014 -1.933 -13.252) 13.393 13.499 ( 1.016 1.336 4.254) 4.573 13.550 ( -1.167 0.632 4.592) 4.780 13.578 ( 1.025 0.766 -3.648) 3.866 13.631 ( -1.267 0.105 -3.304) 3.540 13.743 ( 0.563 6.805 3.310) 7.588 13.765 ( -0.434 6.325 3.180) 7.093 13.805 ( 0.807 6.067 -3.030) 6.829 13.835 ( -0.513 5.891 -3.755) 7.005 14.548 ( -0.000 4.904 2.689) 5.592 14.549 ( -0.042 5.058 3.011) 5.887 14.563 ( 0.127 5.002 1.225) 5.152 14.570 ( -0.168 5.306 0.953) 5.394 ======================= Grid point 192 (69/75) ======================= q-point: (-0.50 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.126 5.618 19.418) 20.215 1.883 ( 0.126 5.618 19.418) 20.215 2.252 ( -1.430 3.239 -17.216) 17.576 2.252 ( 1.430 3.239 -17.216) 17.576 2.555 ( -1.055 -4.207 3.343) 5.476 2.555 ( 1.055 -4.207 3.343) 5.476 2.632 ( -1.118 -2.810 -4.402) 5.341 2.632 ( 1.118 -2.810 -4.402) 5.341 3.414 ( -0.565 19.058 23.771) 30.473 3.414 ( 0.565 19.058 23.771) 30.473 3.604 ( -2.168 15.728 11.267) 19.469 3.604 ( 2.168 15.728 11.267) 19.469 3.804 ( -2.835 10.708 -10.846) 15.503 3.804 ( 2.835 10.708 -10.846) 15.503 3.927 ( -1.057 11.276 -18.917) 22.048 3.927 ( 1.057 11.276 -18.917) 22.048 4.360 ( -1.729 -16.370 10.782) 19.678 4.360 ( 1.729 -16.370 10.782) 19.678 4.577 ( -0.876 -6.339 -7.489) 9.850 4.577 ( 0.876 -6.339 -7.489) 9.850 4.997 ( -1.299 7.133 13.782) 15.573 4.997 ( 1.299 7.133 13.782) 15.573 5.073 ( -2.105 -1.753 4.493) 5.262 5.073 ( 2.105 -1.753 4.493) 5.262 5.245 ( -0.974 0.685 1.787) 2.148 5.245 ( 0.974 0.685 1.787) 2.148 5.367 ( -0.916 5.510 -7.384) 9.258 5.367 ( 0.916 5.510 -7.384) 9.258 6.450 ( -0.453 9.160 7.319) 11.733 6.450 ( 0.453 9.160 7.319) 11.733 6.546 ( -0.556 9.502 -1.036) 9.575 6.546 ( 0.556 9.502 -1.036) 9.575 7.515 ( -2.477 0.038 1.204) 2.754 7.515 ( 2.477 0.038 1.204) 2.754 7.539 ( -2.123 0.856 -0.009) 2.289 7.539 ( 2.123 0.856 -0.009) 2.289 7.869 ( -1.768 -9.668 -0.312) 9.834 7.869 ( 1.768 -9.668 -0.312) 9.834 7.947 ( -0.962 -9.502 -7.010) 11.847 7.947 ( 0.962 -9.502 -7.010) 11.847 8.538 ( -0.651 -4.665 4.137) 6.269 8.538 ( 0.651 -4.665 4.137) 6.269 8.682 ( -0.666 -5.290 -9.969) 11.306 8.682 ( 0.666 -5.290 -9.969) 11.306 10.632 ( -0.816 2.137 3.210) 3.942 10.632 ( 0.816 2.137 3.210) 3.942 10.681 ( -0.835 1.729 -1.469) 2.418 10.681 ( 0.835 1.729 -1.469) 2.418 10.699 ( -0.362 0.883 2.479) 2.656 10.699 ( 0.362 0.883 2.479) 2.656 10.740 ( -0.276 0.973 -1.437) 1.757 10.740 ( 0.276 0.973 -1.437) 1.757 11.998 ( -0.096 -0.107 9.912) 9.913 11.998 ( 0.096 -0.107 9.912) 9.913 12.191 ( -0.045 -0.372 -8.886) 8.894 12.191 ( 0.045 -0.372 -8.886) 8.894 12.276 ( -0.176 -1.411 10.432) 10.529 12.276 ( 0.176 -1.411 10.432) 10.529 12.518 ( -0.059 -2.158 -13.090) 13.267 12.518 ( 0.059 -2.158 -13.090) 13.267 13.523 ( -1.519 1.045 4.384) 4.756 13.523 ( 1.519 1.045 4.384) 4.756 13.603 ( -1.570 0.477 -3.495) 3.861 13.603 ( 1.570 0.477 -3.495) 3.861 13.755 ( -0.637 6.561 3.345) 7.392 13.755 ( 0.637 6.561 3.345) 7.392 13.822 ( -0.864 5.898 -3.434) 6.879 13.822 ( 0.864 5.898 -3.434) 6.879 14.549 ( -0.029 4.971 2.853) 5.731 14.549 ( 0.029 4.971 2.853) 5.731 14.566 ( -0.209 5.156 1.090) 5.274 14.566 ( 0.209 5.156 1.090) 5.274 ======================= Grid point 195 (70/75) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 7.668 15.078) 16.916 2.027 ( 0.000 7.557 17.530) 19.090 2.269 ( 0.000 0.294 -8.858) 8.863 2.317 ( 0.000 -1.166 -9.378) 9.450 2.486 ( 0.000 1.796 -1.051) 2.081 2.555 ( 0.000 -1.188 -5.474) 5.602 2.558 ( 0.000 1.824 0.276) 1.845 2.634 ( 0.000 0.461 -4.681) 4.704 3.701 ( 0.000 1.235 1.197) 1.720 3.726 ( 0.000 -6.550 -4.208) 7.785 3.772 ( 0.000 10.134 14.391) 17.601 3.783 ( 0.000 11.969 13.815) 18.279 3.863 ( 0.000 0.445 5.389) 5.407 3.957 ( 0.000 -6.621 -5.008) 8.302 4.027 ( 0.000 2.713 2.615) 3.768 4.092 ( 0.000 -0.908 3.126) 3.255 4.164 ( 0.000 5.263 1.854) 5.580 4.198 ( 0.000 5.189 0.552) 5.219 4.442 ( 0.000 -3.976 -15.586) 16.085 4.479 ( 0.000 -5.085 -15.320) 16.142 4.998 ( 0.000 5.113 10.552) 11.726 5.124 ( 0.000 2.243 8.365) 8.661 5.155 ( 0.000 5.825 -4.151) 7.153 5.224 ( 0.000 4.122 -0.689) 4.180 5.290 ( 0.000 9.923 14.305) 17.410 5.358 ( 0.000 10.322 13.010) 16.608 5.482 ( 0.000 7.561 -4.572) 8.836 5.524 ( 0.000 7.176 -3.727) 8.086 6.623 ( 0.000 8.929 9.141) 12.778 6.647 ( 0.000 10.297 8.707) 13.485 6.731 ( 0.000 8.839 -0.625) 8.861 6.733 ( 0.000 9.460 0.700) 9.486 7.429 ( 0.000 -2.379 -1.536) 2.832 7.498 ( 0.000 -2.075 -7.560) 7.840 7.547 ( 0.000 -3.843 -1.279) 4.050 7.591 ( 0.000 -3.065 -4.584) 5.514 7.613 ( 0.000 -8.825 4.097) 9.730 7.687 ( 0.000 -10.936 -0.087) 10.937 7.722 ( 0.000 -9.979 -6.954) 12.163 7.745 ( 0.000 -11.797 -5.145) 12.870 8.460 ( 0.000 -1.582 4.242) 4.528 8.484 ( 0.000 -2.225 4.619) 5.127 8.585 ( 0.000 -2.599 -8.210) 8.611 8.612 ( 0.000 -3.197 -8.140) 8.745 10.666 ( 0.000 2.349 2.440) 3.387 10.686 ( 0.000 1.298 3.777) 3.994 10.699 ( 0.000 1.459 -0.788) 1.659 10.708 ( 0.000 1.111 2.207) 2.471 10.715 ( 0.000 0.292 2.749) 2.764 10.735 ( 0.000 0.562 -0.279) 0.628 10.745 ( 0.000 1.148 -2.086) 2.381 10.761 ( 0.000 0.764 -1.403) 1.598 11.994 ( 0.000 -0.176 9.441) 9.442 11.995 ( 0.000 -0.290 9.234) 9.238 12.180 ( 0.000 -0.541 -8.992) 9.008 12.183 ( 0.000 -0.564 -9.001) 9.018 12.249 ( 0.000 -1.196 9.554) 9.629 12.253 ( 0.000 -0.925 9.750) 9.793 12.471 ( 0.000 -1.844 -12.303) 12.440 12.482 ( 0.000 -1.766 -12.668) 12.790 13.515 ( 0.000 1.197 3.561) 3.757 13.563 ( 0.000 -0.274 3.782) 3.792 13.583 ( 0.000 0.655 -3.313) 3.377 13.633 ( 0.000 -0.936 -3.235) 3.368 13.870 ( 0.000 6.060 2.854) 6.698 13.889 ( 0.000 5.388 3.331) 6.335 13.918 ( 0.000 5.552 -2.006) 5.903 13.949 ( 0.000 4.738 -2.850) 5.529 14.645 ( 0.000 4.504 2.914) 5.364 14.649 ( 0.000 4.535 3.403) 5.670 14.662 ( 0.000 4.774 1.271) 4.940 14.675 ( 0.000 4.638 0.894) 4.723 ======================= Grid point 196 (71/75) ======================= q-point: ( 0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.352 7.617 15.362) 17.150 2.025 ( -0.274 7.530 17.055) 18.646 2.274 ( 0.601 0.029 -8.826) 8.847 2.309 ( -0.845 -0.981 -9.201) 9.291 2.497 ( 1.095 1.841 -0.892) 2.321 2.546 ( -0.950 1.447 -0.160) 1.738 2.569 ( 1.094 -0.537 -5.173) 5.315 2.622 ( -1.159 0.247 -4.826) 4.970 3.712 ( 0.963 2.783 3.421) 4.514 3.735 ( 0.591 1.004 2.770) 3.005 3.771 ( 0.513 1.026 5.257) 5.381 3.790 ( 0.577 9.908 11.214) 14.975 3.855 ( -0.634 1.398 6.717) 6.890 3.918 ( -3.368 -5.127 -2.862) 6.769 4.045 ( 1.279 1.677 2.321) 3.136 4.084 ( -0.789 0.071 3.031) 3.133 4.172 ( 0.714 4.978 1.195) 5.169 4.195 ( -0.327 5.084 0.466) 5.115 4.446 ( 0.407 -4.029 -15.447) 15.969 4.471 ( -0.716 -4.784 -15.235) 15.985 5.017 ( 1.885 4.790 10.367) 11.575 5.104 ( -1.915 2.913 8.989) 9.641 5.166 ( 1.057 5.752 -3.462) 6.796 5.214 ( -0.988 4.449 -1.107) 4.690 5.305 ( 1.351 9.577 13.607) 16.694 5.351 ( -0.711 10.057 12.922) 16.390 5.489 ( 0.658 7.461 -4.356) 8.665 5.518 ( -0.600 7.202 -3.772) 8.152 6.628 ( 0.544 9.066 9.034) 12.810 6.646 ( -0.183 10.032 8.717) 13.291 6.733 ( 0.131 8.915 -0.358) 8.924 6.734 ( 0.100 9.336 0.505) 9.350 7.443 ( 1.434 -2.533 -1.639) 3.340 7.503 ( 0.571 -2.175 -6.503) 6.881 7.525 ( -2.085 -3.661 -1.652) 4.526 7.557 ( -2.174 -3.350 -2.407) 4.663 7.643 ( 1.706 -8.594 0.995) 8.818 7.683 ( -0.485 -10.707 -0.062) 10.718 7.729 ( 0.603 -10.301 -6.544) 12.218 7.744 ( -0.104 -11.526 -5.377) 12.719 8.464 ( 0.344 -1.675 4.346) 4.670 8.480 ( -0.369 -2.131 4.607) 5.089 8.589 ( 0.437 -2.672 -8.197) 8.632 8.609 ( -0.380 -3.095 -8.152) 8.728 10.668 ( 0.190 2.207 2.584) 3.404 10.681 ( -0.411 1.510 3.418) 3.759 10.702 ( 0.364 1.408 -0.792) 1.656 10.711 ( 0.230 0.940 2.490) 2.671 10.715 ( 0.027 0.409 2.664) 2.696 10.726 ( -0.719 0.952 -0.759) 1.414 10.751 ( 0.399 0.813 -1.563) 1.807 10.760 ( -0.075 0.745 -1.423) 1.608 11.994 ( 0.008 -0.194 9.405) 9.407 11.995 ( -0.004 -0.274 9.264) 9.268 12.180 ( 0.043 -0.543 -8.966) 8.983 12.183 ( -0.059 -0.560 -8.969) 8.987 12.250 ( 0.071 -1.152 9.556) 9.626 12.252 ( -0.047 -0.965 9.702) 9.750 12.473 ( 0.174 -1.833 -12.359) 12.496 12.481 ( -0.151 -1.779 -12.617) 12.743 13.522 ( 0.707 1.003 3.572) 3.777 13.556 ( -0.720 -0.032 3.723) 3.792 13.590 ( 0.691 0.447 -3.278) 3.380 13.625 ( -0.785 -0.665 -3.217) 3.377 13.874 ( 0.330 5.949 2.910) 6.631 13.887 ( -0.229 5.487 3.252) 6.382 13.923 ( 0.506 5.378 -2.118) 5.803 13.945 ( -0.437 4.818 -2.721) 5.550 14.645 ( 0.036 4.509 2.990) 5.411 14.648 ( -0.093 4.531 3.336) 5.628 14.663 ( 0.172 4.751 1.213) 4.907 14.673 ( -0.215 4.656 0.946) 4.756 ======================= Grid point 197 (72/75) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.455 7.534 16.114) 17.794 2.017 ( 0.455 7.534 16.114) 17.794 2.290 ( -1.011 -0.516 -8.914) 8.986 2.290 ( 1.011 -0.516 -8.914) 8.986 2.522 ( -1.430 1.803 -0.401) 2.336 2.522 ( 1.430 1.803 -0.401) 2.336 2.595 ( -1.582 -0.251 -5.181) 5.423 2.595 ( 1.582 -0.251 -5.181) 5.423 3.731 ( -0.856 6.455 8.573) 10.765 3.731 ( 0.856 6.455 8.573) 10.765 3.793 ( -0.758 -0.679 0.317) 1.066 3.793 ( 0.758 -0.679 0.317) 1.066 3.859 ( -1.943 -0.506 4.521) 4.947 3.859 ( 1.943 -0.506 4.521) 4.947 4.067 ( -1.016 1.187 2.754) 3.166 4.067 ( 1.016 1.187 2.754) 3.166 4.186 ( -0.658 4.907 0.505) 4.977 4.186 ( 0.658 4.907 0.505) 4.977 4.457 ( -0.736 -4.284 -15.230) 15.839 4.457 ( 0.736 -4.284 -15.230) 15.839 5.060 ( -2.532 4.001 9.858) 10.936 5.060 ( 2.532 4.001 9.858) 10.936 5.190 ( -1.417 5.185 -2.186) 5.802 5.190 ( 1.417 5.185 -2.186) 5.802 5.332 ( -1.335 9.582 12.950) 16.165 5.332 ( 1.335 9.582 12.950) 16.165 5.504 ( -0.879 7.297 -3.981) 8.359 5.504 ( 0.879 7.297 -3.981) 8.359 6.639 ( -0.531 9.483 8.827) 12.967 6.639 ( 0.531 9.483 8.827) 12.967 6.735 ( -0.032 9.102 0.109) 9.103 6.735 ( 0.032 9.102 0.109) 9.103 7.480 ( -2.411 -3.045 -1.775) 4.270 7.480 ( 2.411 -3.045 -1.775) 4.270 7.522 ( -1.468 -2.517 -4.248) 5.151 7.522 ( 1.468 -2.517 -4.248) 5.151 7.669 ( -1.047 -9.898 0.280) 9.958 7.669 ( 1.047 -9.898 0.280) 9.958 7.740 ( -0.421 -10.937 -5.921) 12.444 7.740 ( 0.421 -10.937 -5.921) 12.444 8.472 ( -0.498 -1.903 4.524) 4.933 8.472 ( 0.498 -1.903 4.524) 4.933 8.599 ( -0.571 -2.869 -8.175) 8.683 8.599 ( 0.571 -2.869 -8.175) 8.683 10.673 ( -0.388 1.878 2.940) 3.510 10.673 ( 0.388 1.878 2.940) 3.510 10.712 ( -0.545 1.216 -0.284) 1.363 10.712 ( 0.545 1.216 -0.284) 1.363 10.715 ( -0.088 0.677 2.114) 2.221 10.715 ( 0.088 0.677 2.114) 2.221 10.757 ( -0.239 0.722 -1.459) 1.645 10.757 ( 0.239 0.722 -1.459) 1.645 11.995 ( -0.009 -0.236 9.332) 9.335 11.995 ( 0.009 -0.236 9.332) 9.335 12.181 ( -0.072 -0.551 -8.940) 8.957 12.181 ( 0.072 -0.551 -8.940) 8.957 12.251 ( -0.085 -1.057 9.607) 9.665 12.251 ( 0.085 -1.057 9.607) 9.665 12.477 ( -0.230 -1.807 -12.491) 12.623 12.477 ( 0.230 -1.807 -12.491) 12.623 13.539 ( -1.007 0.509 3.625) 3.797 13.539 ( 1.007 0.509 3.625) 3.797 13.607 ( -1.033 -0.079 -3.223) 3.385 13.607 ( 1.033 -0.079 -3.223) 3.385 13.881 ( -0.380 5.712 3.074) 6.497 13.881 ( 0.380 5.712 3.074) 6.497 13.934 ( -0.661 5.054 -2.415) 5.640 13.934 ( 0.661 5.054 -2.415) 5.640 14.647 ( -0.090 4.521 3.169) 5.521 14.647 ( 0.090 4.521 3.169) 5.521 14.668 ( -0.272 4.701 1.076) 4.831 14.668 ( 0.272 4.701 1.076) 4.831 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 4.686 10.368) 11.378 2.155 ( 0.000 6.397 9.905) 11.791 2.232 ( 0.000 -2.749 1.780) 3.275 2.263 ( 0.000 -3.717 0.060) 3.717 2.554 ( 0.000 3.136 -3.277) 4.536 2.596 ( 0.000 0.330 -1.302) 1.343 2.602 ( 0.000 5.391 -6.222) 8.233 2.658 ( 0.000 0.288 -4.177) 4.187 3.560 ( 0.000 -5.515 -1.353) 5.679 3.610 ( 0.000 -1.489 -6.474) 6.643 3.610 ( 0.000 -10.463 2.968) 10.876 3.722 ( 0.000 -10.996 -7.917) 13.549 4.033 ( 0.000 10.443 10.692) 14.946 4.049 ( 0.000 8.295 10.846) 13.655 4.120 ( 0.000 2.421 1.082) 2.651 4.147 ( 0.000 0.393 0.396) 0.558 4.240 ( 0.000 1.118 5.581) 5.692 4.256 ( 0.000 -0.371 5.851) 5.862 4.407 ( 0.000 -0.146 -9.177) 9.179 4.419 ( 0.000 -1.410 -9.008) 9.118 5.110 ( 0.000 4.926 7.364) 8.860 5.160 ( 0.000 0.087 6.318) 6.319 5.233 ( 0.000 2.889 -3.677) 4.676 5.261 ( 0.000 0.277 -2.352) 2.368 5.507 ( 0.000 9.098 9.299) 13.009 5.548 ( 0.000 6.136 8.169) 10.217 5.598 ( 0.000 3.128 0.596) 3.185 5.614 ( 0.000 0.967 1.535) 1.814 6.781 ( 0.000 6.092 9.491) 11.278 6.804 ( 0.000 4.432 8.704) 9.768 6.873 ( 0.000 4.084 2.230) 4.653 6.873 ( 0.000 4.375 1.118) 4.516 7.405 ( 0.000 0.898 -4.760) 4.844 7.432 ( 0.000 -2.245 -4.666) 5.178 7.460 ( 0.000 -4.082 -3.512) 5.385 7.493 ( 0.000 -7.124 -5.933) 9.271 7.516 ( 0.000 -1.243 -2.559) 2.845 7.530 ( 0.000 -3.679 -2.569) 4.487 7.547 ( 0.000 -5.739 -4.562) 7.332 7.553 ( 0.000 -6.117 -4.745) 7.742 8.451 ( 0.000 0.212 4.850) 4.855 8.459 ( 0.000 -0.643 4.953) 4.994 8.561 ( 0.000 -0.157 -6.373) 6.375 8.571 ( 0.000 -1.186 -6.427) 6.535 10.701 ( 0.000 1.122 2.174) 2.446 10.713 ( 0.000 1.403 3.081) 3.385 10.714 ( 0.000 -0.283 2.397) 2.413 10.720 ( 0.000 0.707 0.053) 0.709 10.722 ( 0.000 0.262 1.861) 1.880 10.735 ( 0.000 -0.553 0.737) 0.922 10.764 ( 0.000 0.703 -1.690) 1.831 10.770 ( 0.000 0.108 -1.412) 1.416 11.990 ( 0.000 -0.139 8.768) 8.769 11.990 ( 0.000 -0.161 8.840) 8.841 12.171 ( 0.000 -0.252 -9.507) 9.511 12.173 ( 0.000 -0.399 -9.445) 9.453 12.235 ( 0.000 -0.216 9.504) 9.506 12.238 ( 0.000 -0.494 9.521) 9.534 12.448 ( 0.000 -0.449 -11.882) 11.890 12.454 ( 0.000 -0.978 -12.017) 12.056 13.536 ( 0.000 0.950 3.177) 3.316 13.553 ( 0.000 -0.725 3.230) 3.311 13.596 ( 0.000 0.713 -2.895) 2.981 13.613 ( 0.000 -0.986 -2.856) 3.022 13.958 ( 0.000 2.550 2.629) 3.663 13.964 ( 0.000 1.939 2.890) 3.480 14.000 ( 0.000 2.562 -1.652) 3.048 14.012 ( 0.000 1.397 -2.003) 2.443 14.711 ( 0.000 1.908 3.309) 3.820 14.713 ( 0.000 1.697 3.509) 3.898 14.733 ( 0.000 2.160 1.128) 2.437 14.739 ( 0.000 1.616 0.986) 1.893 ======================= Grid point 201 (74/75) ======================= q-point: ( 0.25 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.006 5.013 10.136) 11.308 2.155 ( -0.081 5.996 9.816) 11.503 2.235 ( 0.328 -2.927 1.614) 3.359 2.257 ( -0.575 -3.536 0.338) 3.598 2.562 ( 0.803 3.005 -2.975) 4.304 2.591 ( -0.432 1.567 -1.927) 2.521 2.612 ( 0.839 3.968 -5.425) 6.773 2.649 ( -0.806 0.898 -4.222) 4.392 3.577 ( 1.586 -6.075 -1.864) 6.550 3.605 ( -0.475 -8.952 1.478) 9.086 3.610 ( 0.297 -3.379 -5.488) 6.452 3.697 ( -2.453 -10.079 -7.375) 12.727 4.035 ( 0.198 10.137 10.831) 14.836 4.046 ( -0.297 8.663 10.940) 13.958 4.126 ( 0.574 1.958 0.939) 2.246 4.144 ( -0.258 0.591 0.424) 0.772 4.243 ( 0.283 0.888 5.614) 5.691 4.254 ( -0.182 -0.138 5.787) 5.792 4.408 ( 0.123 -0.327 -9.055) 9.062 4.416 ( -0.221 -1.187 -8.935) 9.017 5.119 ( 0.923 4.263 7.228) 8.441 5.154 ( -0.592 0.921 6.456) 6.548 5.240 ( 0.605 2.444 -3.477) 4.293 5.259 ( -0.241 0.772 -2.606) 2.728 5.513 ( 0.587 8.538 9.142) 12.523 5.542 ( -0.614 6.441 8.333) 10.550 5.600 ( 0.220 2.811 0.741) 2.916 5.612 ( -0.248 1.285 1.408) 1.923 6.786 ( 0.485 5.877 9.345) 11.050 6.803 ( -0.193 4.712 8.769) 9.956 6.873 ( 0.052 4.071 2.126) 4.593 6.874 ( 0.044 4.252 1.360) 4.465 7.413 ( 0.839 0.510 -4.666) 4.768 7.438 ( 0.665 -2.216 -4.328) 4.907 7.453 ( -0.687 -3.061 -3.726) 4.871 7.485 ( -1.096 -4.135 -4.951) 6.544 7.510 ( -0.082 -4.615 -2.970) 5.489 7.526 ( -0.463 -4.149 -2.972) 5.125 7.552 ( 0.233 -5.493 -5.252) 7.603 7.555 ( 0.133 -6.138 -4.631) 7.691 8.452 ( 0.111 0.082 4.929) 4.931 8.458 ( -0.143 -0.516 4.993) 5.021 8.563 ( 0.197 -0.312 -6.385) 6.395 8.570 ( -0.108 -1.021 -6.436) 6.517 10.701 ( -0.015 1.045 2.275) 2.503 10.707 ( -0.329 0.787 2.760) 2.889 10.720 ( 0.282 0.357 2.288) 2.333 10.722 ( 0.200 0.556 0.294) 0.660 10.723 ( 0.095 0.303 2.067) 2.091 10.733 ( -0.242 -0.236 0.493) 0.598 10.764 ( 0.084 0.476 -1.549) 1.623 10.770 ( -0.066 0.181 -1.425) 1.438 11.990 ( 0.006 -0.143 8.778) 8.779 11.990 ( -0.003 -0.156 8.827) 8.829 12.171 ( 0.019 -0.272 -9.476) 9.480 12.172 ( -0.027 -0.375 -9.432) 9.440 12.236 ( 0.060 -0.258 9.485) 9.488 12.238 ( -0.036 -0.454 9.498) 9.509 12.449 ( 0.095 -0.529 -11.902) 11.914 12.453 ( -0.077 -0.903 -11.997) 12.032 13.539 ( 0.263 0.710 3.168) 3.257 13.550 ( -0.232 -0.474 3.205) 3.249 13.598 ( 0.232 0.469 -2.866) 2.913 13.610 ( -0.265 -0.726 -2.840) 2.943 13.960 ( 0.138 2.455 2.629) 3.599 13.964 ( -0.037 2.041 2.805) 3.469 14.002 ( 0.158 2.375 -1.662) 2.903 14.010 ( -0.193 1.550 -1.916) 2.471 14.711 ( 0.009 1.877 3.340) 3.831 14.713 ( -0.060 1.731 3.479) 3.886 14.734 ( 0.061 2.079 1.107) 2.356 14.738 ( -0.110 1.695 1.006) 1.974 ======================= Grid point 202 (75/75) ======================= q-point: (-0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -0.148 5.453 9.817) 11.231 2.152 ( 0.148 5.453 9.817) 11.231 2.245 ( -0.682 -3.216 1.034) 3.446 2.245 ( 0.682 -3.216 1.034) 3.446 2.579 ( -0.850 2.445 -2.348) 3.495 2.579 ( 0.850 2.445 -2.348) 3.495 2.631 ( -1.074 2.421 -4.714) 5.407 2.631 ( 1.074 2.421 -4.714) 5.407 3.596 ( -0.457 -6.493 -0.914) 6.573 3.596 ( 0.457 -6.493 -0.914) 6.573 3.642 ( -2.970 -7.769 -5.938) 10.219 3.642 ( 2.970 -7.769 -5.938) 10.219 4.040 ( -0.283 9.427 11.000) 14.489 4.040 ( 0.283 9.427 11.000) 14.489 4.137 ( -0.523 1.155 0.619) 1.411 4.137 ( 0.523 1.155 0.619) 1.411 4.249 ( -0.330 0.378 5.685) 5.707 4.249 ( 0.330 0.378 5.685) 5.707 4.412 ( -0.238 -0.736 -8.899) 8.933 4.412 ( 0.238 -0.736 -8.899) 8.933 5.139 ( -1.037 2.645 6.866) 7.430 5.139 ( 1.037 2.645 6.866) 7.430 5.251 ( -0.543 1.669 -3.091) 3.554 5.251 ( 0.543 1.669 -3.091) 3.554 5.527 ( -0.861 7.361 8.742) 11.461 5.527 ( 0.861 7.361 8.742) 11.461 5.606 ( -0.335 2.048 1.084) 2.341 5.606 ( 0.335 2.048 1.084) 2.341 6.796 ( -0.503 5.328 9.017) 10.485 6.796 ( 0.503 5.328 9.017) 10.485 6.874 ( -0.023 4.091 1.812) 4.475 6.874 ( 0.023 4.091 1.812) 4.475 7.433 ( -1.153 -0.790 -4.261) 4.484 7.433 ( 1.153 -0.790 -4.261) 4.484 7.460 ( -1.314 -2.594 -4.008) 4.952 7.460 ( 1.314 -2.594 -4.008) 4.952 7.516 ( -0.523 -5.358 -3.372) 6.353 7.516 ( 0.523 -5.358 -3.372) 6.353 7.555 ( -0.110 -5.890 -5.203) 7.860 7.555 ( 0.110 -5.890 -5.203) 7.860 8.454 ( -0.176 -0.219 5.020) 5.028 8.454 ( 0.176 -0.219 5.020) 5.028 8.567 ( -0.221 -0.661 -6.421) 6.459 8.567 ( 0.221 -0.661 -6.421) 6.459 10.702 ( -0.158 0.899 2.534) 2.693 10.702 ( 0.158 0.899 2.534) 2.693 10.724 ( -0.063 0.292 2.418) 2.436 10.724 ( 0.063 0.292 2.418) 2.436 10.727 ( -0.329 0.279 0.081) 0.439 10.727 ( 0.329 0.279 0.081) 0.439 10.767 ( -0.181 0.264 -1.430) 1.466 10.767 ( 0.181 0.264 -1.430) 1.466 11.990 ( -0.008 -0.149 8.802) 8.803 11.990 ( 0.008 -0.149 8.802) 8.803 12.172 ( -0.033 -0.321 -9.433) 9.438 12.172 ( 0.033 -0.321 -9.433) 9.438 12.237 ( -0.068 -0.357 9.471) 9.478 12.237 ( 0.068 -0.357 9.471) 9.478 12.451 ( -0.122 -0.717 -11.951) 11.973 12.451 ( 0.122 -0.717 -11.951) 11.973 13.545 ( -0.351 0.123 3.170) 3.191 13.545 ( 0.351 0.123 3.170) 3.191 13.604 ( -0.353 -0.120 -2.831) 2.855 13.604 ( 0.353 -0.120 -2.831) 2.855 13.962 ( -0.125 2.252 2.674) 3.498 13.962 ( 0.126 2.252 2.674) 3.498 14.006 ( -0.251 1.944 -1.750) 2.628 14.006 ( 0.251 1.944 -1.750) 2.628 14.712 ( -0.049 1.805 3.409) 3.858 14.712 ( 0.049 1.805 3.409) 3.858 14.736 ( -0.120 1.886 1.056) 2.165 14.736 ( 0.120 1.886 1.056) 2.165 =================== 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 3/23328 10.0 154.278 339.603 359.657 0.000 0.000 0.000 3/23328 20.0 57.520 396.543 441.398 0.000 0.000 0.000 3/23328 30.0 29.155 315.624 362.056 0.000 0.000 0.000 3/23328 40.0 18.130 249.703 288.577 0.000 0.000 0.000 3/23328 50.0 12.840 201.859 232.833 0.000 0.000 0.000 3/23328 60.0 9.864 166.332 191.317 0.000 0.000 0.000 3/23328 70.0 7.988 139.317 160.001 0.000 0.000 0.000 3/23328 80.0 6.705 118.456 136.020 0.000 0.000 0.000 3/23328 90.0 5.774 102.151 117.388 0.000 0.000 0.000 3/23328 100.0 5.069 89.253 102.700 0.000 0.000 0.000 3/23328 110.0 4.516 78.921 90.956 0.000 0.000 0.000 3/23328 120.0 4.072 70.540 81.434 0.000 0.000 0.000 3/23328 130.0 3.706 63.653 73.609 0.000 0.000 0.000 3/23328 140.0 3.401 57.926 67.096 0.000 0.000 0.000 3/23328 150.0 3.142 53.107 61.612 0.000 0.000 0.000 3/23328 160.0 2.920 49.009 56.943 0.000 0.000 0.000 3/23328 170.0 2.727 45.489 52.927 0.000 0.000 0.000 3/23328 180.0 2.559 42.438 49.442 0.000 0.000 0.000 3/23328 190.0 2.410 39.771 46.391 0.000 0.000 0.000 3/23328 200.0 2.278 37.421 43.700 0.000 0.000 0.000 3/23328 210.0 2.160 35.338 41.310 0.000 0.000 0.000 3/23328 220.0 2.053 33.477 39.173 0.000 0.000 0.000 3/23328 230.0 1.957 31.807 37.251 0.000 0.000 0.000 3/23328 240.0 1.869 30.299 35.515 0.000 0.000 0.000 3/23328 250.0 1.789 28.931 33.937 0.000 0.000 0.000 3/23328 260.0 1.716 27.684 32.497 0.000 0.000 0.000 3/23328 270.0 1.649 26.543 31.179 0.000 0.000 0.000 3/23328 280.0 1.587 25.495 29.966 0.000 0.000 0.000 3/23328 290.0 1.529 24.529 28.847 0.000 0.000 0.000 3/23328 300.0 1.475 23.635 27.811 0.000 0.000 0.000 3/23328 310.0 1.426 22.806 26.848 0.000 0.000 0.000 3/23328 320.0 1.379 22.035 25.953 0.000 0.000 0.000 3/23328 330.0 1.335 21.316 25.116 0.000 0.000 0.000 3/23328 340.0 1.295 20.644 24.334 0.000 0.000 0.000 3/23328 350.0 1.256 20.014 23.600 0.000 0.000 0.000 3/23328 360.0 1.220 19.422 22.910 0.000 0.000 0.000 3/23328 370.0 1.186 18.865 22.260 0.000 0.000 0.000 3/23328 380.0 1.154 18.340 21.648 0.000 0.000 0.000 3/23328 390.0 1.123 17.844 21.069 0.000 0.000 0.000 3/23328 400.0 1.094 17.375 20.520 0.000 0.000 0.000 3/23328 410.0 1.067 16.931 20.001 0.000 0.000 0.000 3/23328 420.0 1.041 16.509 19.507 0.000 0.000 0.000 3/23328 430.0 1.016 16.108 19.038 0.000 0.000 0.000 3/23328 440.0 0.993 15.727 18.591 0.000 0.000 0.000 3/23328 450.0 0.970 15.364 18.166 0.000 0.000 0.000 3/23328 460.0 0.948 15.017 17.760 0.000 0.000 0.000 3/23328 470.0 0.928 14.686 17.371 0.000 0.000 0.000 3/23328 480.0 0.908 14.370 17.000 0.000 0.000 0.000 3/23328 490.0 0.889 14.067 16.645 0.000 0.000 0.000 3/23328 500.0 0.871 13.777 16.304 0.000 0.000 0.000 3/23328 510.0 0.854 13.499 15.978 0.000 0.000 0.000 3/23328 520.0 0.837 13.232 15.664 0.000 0.000 0.000 3/23328 530.0 0.821 12.976 15.363 0.000 0.000 0.000 3/23328 540.0 0.806 12.730 15.073 0.000 0.000 0.000 3/23328 550.0 0.791 12.493 14.794 0.000 0.000 0.000 3/23328 560.0 0.776 12.265 14.526 0.000 0.000 0.000 3/23328 570.0 0.763 12.045 14.267 0.000 0.000 0.000 3/23328 580.0 0.749 11.833 14.017 0.000 0.000 0.000 3/23328 590.0 0.736 11.628 13.776 0.000 0.000 0.000 3/23328 600.0 0.724 11.430 13.544 0.000 0.000 0.000 3/23328 610.0 0.712 11.240 13.319 0.000 0.000 0.000 3/23328 620.0 0.700 11.055 13.102 0.000 0.000 0.000 3/23328 630.0 0.689 10.877 12.891 0.000 0.000 0.000 3/23328 640.0 0.678 10.704 12.688 0.000 0.000 0.000 3/23328 650.0 0.668 10.537 12.491 0.000 0.000 0.000 3/23328 660.0 0.658 10.375 12.299 0.000 0.000 0.000 3/23328 670.0 0.648 10.218 12.114 0.000 0.000 0.000 3/23328 680.0 0.638 10.066 11.935 0.000 0.000 0.000 3/23328 690.0 0.629 9.918 11.760 0.000 0.000 0.000 3/23328 700.0 0.620 9.774 11.591 0.000 0.000 0.000 3/23328 710.0 0.611 9.635 11.426 0.000 0.000 0.000 3/23328 720.0 0.602 9.500 11.267 0.000 0.000 0.000 3/23328 730.0 0.594 9.368 11.111 0.000 0.000 0.000 3/23328 740.0 0.586 9.240 10.960 0.000 0.000 0.000 3/23328 750.0 0.578 9.116 10.813 0.000 0.000 0.000 3/23328 760.0 0.570 8.995 10.670 0.000 0.000 0.000 3/23328 770.0 0.563 8.877 10.531 0.000 0.000 0.000 3/23328 780.0 0.556 8.762 10.395 0.000 0.000 0.000 3/23328 790.0 0.549 8.650 10.263 0.000 0.000 0.000 3/23328 800.0 0.542 8.541 10.134 0.000 0.000 0.000 3/23328 810.0 0.535 8.435 10.009 0.000 0.000 0.000 3/23328 820.0 0.528 8.331 9.886 0.000 0.000 0.000 3/23328 830.0 0.522 8.230 9.767 0.000 0.000 0.000 3/23328 840.0 0.516 8.132 9.650 0.000 0.000 0.000 3/23328 850.0 0.510 8.035 9.536 0.000 0.000 0.000 3/23328 860.0 0.504 7.941 9.425 0.000 0.000 0.000 3/23328 870.0 0.498 7.849 9.316 0.000 0.000 0.000 3/23328 880.0 0.492 7.760 9.210 0.000 0.000 0.000 3/23328 890.0 0.487 7.672 9.106 0.000 0.000 0.000 3/23328 900.0 0.481 7.586 9.005 0.000 0.000 0.000 3/23328 910.0 0.476 7.503 8.906 0.000 0.000 0.000 3/23328 920.0 0.471 7.421 8.809 0.000 0.000 0.000 3/23328 930.0 0.466 7.340 8.714 0.000 0.000 0.000 3/23328 940.0 0.461 7.262 8.621 0.000 0.000 0.000 3/23328 950.0 0.456 7.185 8.530 0.000 0.000 0.000 3/23328 960.0 0.451 7.110 8.441 0.000 0.000 0.000 3/23328 970.0 0.446 7.037 8.354 0.000 0.000 0.000 3/23328 980.0 0.442 6.964 8.269 0.000 0.000 0.000 3/23328 990.0 0.437 6.894 8.185 0.000 0.000 0.000 3/23328 1000.0 0.433 6.825 8.104 0.000 0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m499.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:22:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|