----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 4.849181429999999 0.000000000000000 c -0.262380099263662 0.000000000000000 5.812863121529158 Atomic positions (fractional): *1 Sn 0.60087394817385 0.00203500486968 0.18081412400358 118.710 *2 Sn 0.80077948897152 0.99789516936426 0.65005459184642 118.710 3 Sn 0.60087394817385 0.49796499513032 0.68081412400358 118.710 4 Sn 0.39912605182615 0.50203500486968 0.31918587599642 118.710 5 Sn 0.19922051102848 0.49789516936426 0.84994540815358 118.710 6 Sn 0.39912605182615 0.99796499513032 0.81918587599642 118.710 7 Sn 0.19922051102848 0.00210483063574 0.34994540815358 118.710 *8 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 9 Sn 0.80077948897152 0.50210483063574 0.15005459184642 118.710 10 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 *11 O 0.85794519547067 0.17766360520590 0.96122817833304 15.999 12 O 0.14205480452933 0.82233639479410 0.03877182166696 15.999 13 O 0.14205480452933 0.67766360520590 0.53877182166696 15.999 *14 O 0.05890388111612 0.19781556366727 0.29180276830355 15.999 15 O 0.94109611888388 0.80218443633273 0.70819723169645 15.999 *16 O 0.45443981145169 0.32337596387297 0.63060635358265 15.999 17 O 0.45443981145169 0.17662403612703 0.13060635358264 15.999 18 O 0.85794519547067 0.32233639479410 0.46122817833304 15.999 19 O 0.54556018854831 0.67662403612703 0.36939364641736 15.999 20 O 0.54556018854831 0.82337596387297 0.86939364641735 15.999 21 O 0.94109611888388 0.69781556366727 0.20819723169645 15.999 22 O 0.05890388111612 0.30218443633273 0.79180276830355 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 4.849181429999999 0.000000000000000 c -0.262380099263662 0.000000000000000 5.812863121529158 Atomic positions (fractional): *1 Sn 0.60087394817385 0.00203500486968 0.18081412400358 118.710 > 1 *2 Sn 0.80077948897152 0.99789516936426 0.65005459184642 118.710 > 2 3 Sn 0.60087394817385 0.49796499513032 0.68081412400358 118.710 > 3 4 Sn 0.39912605182615 0.50203500486968 0.31918587599642 118.710 > 4 5 Sn 0.19922051102848 0.49789516936426 0.84994540815358 118.710 > 5 6 Sn 0.39912605182615 0.99796499513032 0.81918587599642 118.710 > 6 7 Sn 0.19922051102848 0.00210483063574 0.34994540815358 118.710 > 7 *8 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 8 9 Sn 0.80077948897152 0.50210483063574 0.15005459184642 118.710 > 9 10 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 10 *11 O 0.85794519547067 0.17766360520590 0.96122817833304 15.999 > 11 12 O 0.14205480452933 0.82233639479410 0.03877182166696 15.999 > 12 13 O 0.14205480452933 0.67766360520590 0.53877182166696 15.999 > 13 *14 O 0.05890388111612 0.19781556366727 0.29180276830355 15.999 > 14 15 O 0.94109611888388 0.80218443633273 0.70819723169645 15.999 > 15 *16 O 0.45443981145169 0.32337596387297 0.63060635358265 15.999 > 16 17 O 0.45443981145169 0.17662403612703 0.13060635358264 15.999 > 17 18 O 0.85794519547067 0.32233639479410 0.46122817833304 15.999 > 18 19 O 0.54556018854831 0.67662403612703 0.36939364641736 15.999 > 19 20 O 0.54556018854831 0.82337596387297 0.86939364641735 15.999 > 20 21 O 0.94109611888388 0.69781556366727 0.20819723169645 15.999 > 21 22 O 0.05890388111612 0.30218443633273 0.79180276830355 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 14.547544289999998 0.000000000000000 c -0.524760198527324 0.000000000000000 11.625726243058317 Atomic positions (fractional): *1 Sn 0.60087394817385 0.00067833495656 0.09040706200179 118.710 > 1 2 Sn 0.60087394817385 0.33401166828989 0.09040706200179 118.710 > 1 3 Sn 0.60087394817385 0.66734500162323 0.09040706200179 118.710 > 1 4 Sn 0.60087394817385 0.00067833495656 0.59040706200179 118.710 > 1 5 Sn 0.60087394817385 0.33401166828989 0.59040706200179 118.710 > 1 6 Sn 0.60087394817385 0.66734500162323 0.59040706200179 118.710 > 1 *7 Sn 0.80077948897152 0.33263172312142 0.32502729592321 118.710 > 2 8 Sn 0.80077948897152 0.66596505645475 0.32502729592321 118.710 > 2 9 Sn 0.80077948897152 0.99929838978809 0.32502729592321 118.710 > 2 10 Sn 0.80077948897152 0.33263172312142 0.82502729592321 118.710 > 2 11 Sn 0.80077948897152 0.66596505645475 0.82502729592321 118.710 > 2 12 Sn 0.80077948897152 0.99929838978809 0.82502729592321 118.710 > 2 13 Sn 0.60087394817385 0.16598833171011 0.34040706200179 118.710 > 3 14 Sn 0.60087394817385 0.49932166504344 0.34040706200179 118.710 > 3 15 Sn 0.60087394817385 0.83265499837677 0.34040706200179 118.710 > 3 16 Sn 0.60087394817385 0.16598833171011 0.84040706200179 118.710 > 3 17 Sn 0.60087394817385 0.49932166504344 0.84040706200179 118.710 > 3 18 Sn 0.60087394817385 0.83265499837677 0.84040706200179 118.710 > 3 19 Sn 0.39912605182615 0.16734500162323 0.15959293799821 118.710 > 4 20 Sn 0.39912605182615 0.50067833495656 0.15959293799821 118.710 > 4 21 Sn 0.39912605182615 0.83401166828989 0.15959293799821 118.710 > 4 22 Sn 0.39912605182615 0.16734500162323 0.65959293799821 118.710 > 4 23 Sn 0.39912605182615 0.50067833495656 0.65959293799821 118.710 > 4 24 Sn 0.39912605182615 0.83401166828989 0.65959293799821 118.710 > 4 25 Sn 0.19922051102848 0.16596505645475 0.42497270407679 118.710 > 5 26 Sn 0.19922051102848 0.49929838978809 0.42497270407679 118.710 > 5 27 Sn 0.19922051102848 0.83263172312142 0.42497270407679 118.710 > 5 28 Sn 0.19922051102848 0.16596505645475 0.92497270407679 118.710 > 5 29 Sn 0.19922051102848 0.49929838978809 0.92497270407679 118.710 > 5 30 Sn 0.19922051102848 0.83263172312142 0.92497270407679 118.710 > 5 31 Sn 0.39912605182615 0.33265499837677 0.40959293799821 118.710 > 6 32 Sn 0.39912605182615 0.66598833171011 0.40959293799821 118.710 > 6 33 Sn 0.39912605182615 0.99932166504344 0.40959293799821 118.710 > 6 34 Sn 0.39912605182615 0.33265499837677 0.90959293799821 118.710 > 6 35 Sn 0.39912605182615 0.66598833171011 0.90959293799821 118.710 > 6 36 Sn 0.39912605182615 0.99932166504344 0.90959293799821 118.710 > 6 37 Sn 0.19922051102848 0.00070161021191 0.17497270407679 118.710 > 7 38 Sn 0.19922051102848 0.33403494354525 0.17497270407679 118.710 > 7 39 Sn 0.19922051102848 0.66736827687858 0.17497270407679 118.710 > 7 40 Sn 0.19922051102848 0.00070161021191 0.67497270407679 118.710 > 7 41 Sn 0.19922051102848 0.33403494354525 0.67497270407679 118.710 > 7 42 Sn 0.19922051102848 0.66736827687858 0.67497270407679 118.710 > 7 *43 Sn 0.00000000000000 0.16666666666667 0.25000000000000 118.710 > 8 44 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 8 45 Sn 0.00000000000000 0.83333333333333 0.25000000000000 118.710 > 8 46 Sn 0.00000000000000 0.16666666666667 0.75000000000000 118.710 > 8 47 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 8 48 Sn 0.00000000000000 0.83333333333333 0.75000000000000 118.710 > 8 49 Sn 0.80077948897152 0.16736827687858 0.07502729592321 118.710 > 9 50 Sn 0.80077948897152 0.50070161021191 0.07502729592321 118.710 > 9 51 Sn 0.80077948897152 0.83403494354525 0.07502729592321 118.710 > 9 52 Sn 0.80077948897152 0.16736827687858 0.57502729592321 118.710 > 9 53 Sn 0.80077948897152 0.50070161021191 0.57502729592321 118.710 > 9 54 Sn 0.80077948897152 0.83403494354525 0.57502729592321 118.710 > 9 55 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 10 56 Sn 0.00000000000000 0.33333333333333 0.00000000000000 118.710 > 10 57 Sn 0.00000000000000 0.66666666666667 0.00000000000000 118.710 > 10 58 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 59 Sn 0.00000000000000 0.33333333333333 0.50000000000000 118.710 > 10 60 Sn 0.00000000000000 0.66666666666667 0.50000000000000 118.710 > 10 *61 O 0.85794519547067 0.05922120173530 0.48061408916652 15.999 > 11 62 O 0.85794519547067 0.39255453506863 0.48061408916652 15.999 > 11 63 O 0.85794519547067 0.72588786840197 0.48061408916652 15.999 > 11 64 O 0.85794519547067 0.05922120173530 0.98061408916652 15.999 > 11 65 O 0.85794519547067 0.39255453506863 0.98061408916652 15.999 > 11 66 O 0.85794519547067 0.72588786840197 0.98061408916652 15.999 > 11 67 O 0.14205480452933 0.27411213159803 0.01938591083348 15.999 > 12 68 O 0.14205480452933 0.60744546493137 0.01938591083348 15.999 > 12 69 O 0.14205480452933 0.94077879826470 0.01938591083348 15.999 > 12 70 O 0.14205480452933 0.27411213159803 0.51938591083348 15.999 > 12 71 O 0.14205480452933 0.60744546493137 0.51938591083348 15.999 > 12 72 O 0.14205480452933 0.94077879826470 0.51938591083348 15.999 > 12 73 O 0.14205480452933 0.22588786840197 0.26938591083348 15.999 > 13 74 O 0.14205480452933 0.55922120173530 0.26938591083348 15.999 > 13 75 O 0.14205480452933 0.89255453506863 0.26938591083348 15.999 > 13 76 O 0.14205480452933 0.22588786840197 0.76938591083348 15.999 > 13 77 O 0.14205480452933 0.55922120173530 0.76938591083348 15.999 > 13 78 O 0.14205480452933 0.89255453506863 0.76938591083348 15.999 > 13 *79 O 0.05890388111612 0.06593852122242 0.14590138415178 15.999 > 14 80 O 0.05890388111612 0.39927185455576 0.14590138415178 15.999 > 14 81 O 0.05890388111612 0.73260518788909 0.14590138415178 15.999 > 14 82 O 0.05890388111612 0.06593852122242 0.64590138415178 15.999 > 14 83 O 0.05890388111612 0.39927185455576 0.64590138415178 15.999 > 14 84 O 0.05890388111612 0.73260518788909 0.64590138415178 15.999 > 14 85 O 0.94109611888388 0.26739481211091 0.35409861584822 15.999 > 15 86 O 0.94109611888388 0.60072814544424 0.35409861584822 15.999 > 15 87 O 0.94109611888388 0.93406147877758 0.35409861584822 15.999 > 15 88 O 0.94109611888388 0.26739481211091 0.85409861584822 15.999 > 15 89 O 0.94109611888388 0.60072814544424 0.85409861584822 15.999 > 15 90 O 0.94109611888388 0.93406147877758 0.85409861584822 15.999 > 15 *91 O 0.45443981145169 0.10779198795766 0.31530317679132 15.999 > 16 92 O 0.45443981145169 0.44112532129099 0.31530317679132 15.999 > 16 93 O 0.45443981145169 0.77445865462432 0.31530317679132 15.999 > 16 94 O 0.45443981145169 0.10779198795766 0.81530317679132 15.999 > 16 95 O 0.45443981145169 0.44112532129099 0.81530317679132 15.999 > 16 96 O 0.45443981145169 0.77445865462432 0.81530317679132 15.999 > 16 97 O 0.45443981145169 0.05887467870901 0.06530317679132 15.999 > 17 98 O 0.45443981145169 0.39220801204234 0.06530317679132 15.999 > 17 99 O 0.45443981145169 0.72554134537568 0.06530317679132 15.999 > 17 100 O 0.45443981145169 0.05887467870901 0.56530317679132 15.999 > 17 101 O 0.45443981145169 0.39220801204234 0.56530317679132 15.999 > 17 102 O 0.45443981145169 0.72554134537568 0.56530317679132 15.999 > 17 103 O 0.85794519547067 0.10744546493137 0.23061408916652 15.999 > 18 104 O 0.85794519547067 0.44077879826470 0.23061408916652 15.999 > 18 105 O 0.85794519547067 0.77411213159803 0.23061408916652 15.999 > 18 106 O 0.85794519547067 0.10744546493137 0.73061408916652 15.999 > 18 107 O 0.85794519547067 0.44077879826470 0.73061408916652 15.999 > 18 108 O 0.85794519547067 0.77411213159803 0.73061408916652 15.999 > 18 109 O 0.54556018854831 0.22554134537568 0.18469682320868 15.999 > 19 110 O 0.54556018854831 0.55887467870901 0.18469682320868 15.999 > 19 111 O 0.54556018854831 0.89220801204234 0.18469682320868 15.999 > 19 112 O 0.54556018854831 0.22554134537568 0.68469682320868 15.999 > 19 113 O 0.54556018854831 0.55887467870901 0.68469682320868 15.999 > 19 114 O 0.54556018854831 0.89220801204234 0.68469682320868 15.999 > 19 115 O 0.54556018854831 0.27445865462432 0.43469682320868 15.999 > 20 116 O 0.54556018854831 0.60779198795766 0.43469682320868 15.999 > 20 117 O 0.54556018854831 0.94112532129099 0.43469682320868 15.999 > 20 118 O 0.54556018854831 0.27445865462432 0.93469682320868 15.999 > 20 119 O 0.54556018854831 0.60779198795766 0.93469682320868 15.999 > 20 120 O 0.54556018854831 0.94112532129099 0.93469682320868 15.999 > 20 121 O 0.94109611888388 0.23260518788909 0.10409861584822 15.999 > 21 122 O 0.94109611888388 0.56593852122242 0.10409861584822 15.999 > 21 123 O 0.94109611888388 0.89927185455576 0.10409861584822 15.999 > 21 124 O 0.94109611888388 0.23260518788909 0.60409861584822 15.999 > 21 125 O 0.94109611888388 0.56593852122242 0.60409861584822 15.999 > 21 126 O 0.94109611888388 0.89927185455576 0.60409861584822 15.999 > 21 127 O 0.05890388111612 0.10072814544424 0.39590138415178 15.999 > 22 128 O 0.05890388111612 0.43406147877758 0.39590138415178 15.999 > 22 129 O 0.05890388111612 0.76739481211091 0.39590138415178 15.999 > 22 130 O 0.05890388111612 0.10072814544424 0.89590138415178 15.999 > 22 131 O 0.05890388111612 0.43406147877758 0.89590138415178 15.999 > 22 132 O 0.05890388111612 0.76739481211091 0.89590138415178 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4152751 0.0000000 0.3354497 0.0000000 7.3321884 0.0000000 0.3354538 0.0000000 6.9175769 -------------------------- Born effective charges -------------------------- 1 Sn 2.8989183 0.0725163 0.3107893 -0.1491414 2.7261335 -0.3080812 0.2245376 -0.3348470 2.6202576 2 Sn 3.1061492 -0.1159220 0.3014019 -0.0903589 2.6358706 -0.1178442 0.4068075 -0.3576418 2.6729701 3 Sn 2.8989183 -0.0725163 0.3107893 0.1491414 2.7261335 0.3080812 0.2245376 0.3348470 2.6202576 4 Sn 2.8989183 -0.0725163 0.3107893 0.1491414 2.7261335 0.3080812 0.2245376 0.3348470 2.6202576 5 Sn 3.1061492 0.1159220 0.3014019 0.0903589 2.6358706 0.1178442 0.4068075 0.3576418 2.6729701 6 Sn 2.8989183 0.0725163 0.3107893 -0.1491414 2.7261335 -0.3080812 0.2245376 -0.3348470 2.6202576 7 Sn 3.1061492 -0.1159220 0.3014019 -0.0903589 2.6358706 -0.1178442 0.4068075 -0.3576418 2.6729701 8 Sn 5.3336714 -0.6614871 0.3179797 -0.1195818 4.2044089 1.1051467 0.1572275 0.4973308 4.2005521 9 Sn 3.1061492 0.1159220 0.3014019 0.0903589 2.6358706 0.1178442 0.4068075 0.3576418 2.6729701 10 Sn 5.3336714 0.6614871 0.3179797 0.1195818 4.2044089 -1.1051467 0.1572275 -0.4973308 4.2005521 11 O -2.6690580 0.5808406 -0.1574539 0.6480427 -2.6024931 -0.8753737 -0.1643104 -1.3084573 -2.6783768 12 O -2.6690580 0.5808406 -0.1574539 0.6480427 -2.6024931 -0.8753737 -0.1643104 -1.3084573 -2.6783768 13 O -2.6690580 -0.5808406 -0.1574539 -0.6480427 -2.6024931 0.8753737 -0.1643104 1.3084573 -2.6783768 14 O -3.1062581 0.6268870 -0.3114735 0.8779128 -2.1589406 -0.5457988 -0.2961813 -0.4714633 -2.0775496 15 O -3.1062581 0.6268870 -0.3114735 0.8779128 -2.1589406 -0.5457988 -0.2961813 -0.4714633 -2.0775496 16 O -2.8965871 -0.6752101 -0.3022535 -1.2682630 -2.7027749 0.9839423 -0.2494672 1.3996342 -2.6375773 17 O -2.8965871 0.6752101 -0.3022535 1.2682630 -2.7027749 -0.9839423 -0.2494672 -1.3996342 -2.6375773 18 O -2.6690580 -0.5808406 -0.1574539 -0.6480427 -2.6024931 0.8753737 -0.1643104 1.3084573 -2.6783768 19 O -2.8965871 -0.6752101 -0.3022535 -1.2682630 -2.7027749 0.9839423 -0.2494672 1.3996342 -2.6375773 20 O -2.8965871 0.6752101 -0.3022535 1.2682630 -2.7027749 -0.9839423 -0.2494672 -1.3996342 -2.6375773 21 O -3.1062581 -0.6268870 -0.3114735 -0.8779128 -2.1589406 0.5457988 -0.2961813 0.4714633 -2.0775496 22 O -3.1062581 -0.6268870 -0.3114735 -0.8779128 -2.1589406 0.5457988 -0.2961813 0.4714633 -2.0775496 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3354 Number of blocks in projector: 3354 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: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 727 / 727 (1) 220 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 219 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 219 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 391 Use standard eigh solver. Tree of FC basis block matrices: - (3354, 3301), data: False |-- (391, 385), data: True |-- (391, 385), data: True |-- (391, 385), data: True |-- (727, 715), data: False |-- (727, 8), data: (727, 20) @ (20, 8) |-- (227, 219), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (727, 715), data: False |-- (727, 8), data: (727, 20) @ (20, 8) |-- (227, 219), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (727, 716), data: False |-- (727, 7), data: (727, 18) @ (18, 7) |-- (227, 220), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.149 Solver_block: 200 / 720 - Time: 0.929 Solver_block: 300 / 720 - Time: 0.934 Solver_block: 400 / 720 - Time: 0.937 Solver_block: 500 / 720 - Time: 0.928 Solver_block: 600 / 720 - Time: 0.929 Solver_block: 700 / 720 - Time: 0.932 Solver_block: 720 / 720 - Time: 0.296 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.270 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3354 Number of blocks in projector: 3354 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: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 727 / 727 (1) 220 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 219 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 219 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 391 Use standard eigh solver. Tree of FC basis block matrices: - (3354, 3301), data: False |-- (391, 385), data: True |-- (391, 385), data: True |-- (391, 385), data: True |-- (727, 715), data: False |-- (727, 8), data: (727, 20) @ (20, 8) |-- (227, 219), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (727, 715), data: False |-- (727, 8), data: (727, 20) @ (20, 8) |-- (227, 219), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (727, 716), data: False |-- (727, 7), data: (727, 18) @ (18, 7) |-- (227, 220), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), 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 2026-01-09 04:43:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:43:17]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 4.849181429999999 0.000000000000000 c -0.262380099263662 0.000000000000000 5.812863121529158 Atomic positions (fractional): 1 Sn 0.60087394817385 0.00203500486968 0.18081412400358 118.710 2 Sn 0.80077948897152 0.99789516936426 0.65005459184642 118.710 3 Sn 0.60087394817385 0.49796499513032 0.68081412400358 118.710 4 Sn 0.39912605182615 0.50203500486968 0.31918587599642 118.710 5 Sn 0.19922051102848 0.49789516936426 0.84994540815358 118.710 6 Sn 0.39912605182615 0.99796499513032 0.81918587599642 118.710 7 Sn 0.19922051102848 0.00210483063574 0.34994540815358 118.710 8 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 9 Sn 0.80077948897152 0.50210483063574 0.15005459184642 118.710 10 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 11 O 0.85794519547067 0.17766360520590 0.96122817833304 15.999 12 O 0.14205480452933 0.82233639479410 0.03877182166696 15.999 13 O 0.14205480452933 0.67766360520590 0.53877182166696 15.999 14 O 0.05890388111612 0.19781556366727 0.29180276830355 15.999 15 O 0.94109611888388 0.80218443633273 0.70819723169645 15.999 16 O 0.45443981145169 0.32337596387297 0.63060635358265 15.999 17 O 0.45443981145169 0.17662403612703 0.13060635358264 15.999 18 O 0.85794519547067 0.32233639479410 0.46122817833304 15.999 19 O 0.54556018854831 0.67662403612703 0.36939364641736 15.999 20 O 0.54556018854831 0.82337596387297 0.86939364641735 15.999 21 O 0.94109611888388 0.69781556366727 0.20819723169645 15.999 22 O 0.05890388111612 0.30218443633273 0.79180276830355 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 14.547544289999998 0.000000000000000 c -0.524760198527324 0.000000000000000 11.625726243058317 Atomic positions (fractional): 1 Sn 0.60087394817385 0.00067833495656 0.09040706200179 118.710 > 1 2 Sn 0.60087394817385 0.33401166828989 0.09040706200179 118.710 > 1 3 Sn 0.60087394817385 0.66734500162323 0.09040706200179 118.710 > 1 4 Sn 0.60087394817385 0.00067833495656 0.59040706200179 118.710 > 1 5 Sn 0.60087394817385 0.33401166828989 0.59040706200179 118.710 > 1 6 Sn 0.60087394817385 0.66734500162323 0.59040706200179 118.710 > 1 7 Sn 0.80077948897152 0.33263172312142 0.32502729592321 118.710 > 7 8 Sn 0.80077948897152 0.66596505645475 0.32502729592321 118.710 > 7 9 Sn 0.80077948897152 0.99929838978809 0.32502729592321 118.710 > 7 10 Sn 0.80077948897152 0.33263172312142 0.82502729592321 118.710 > 7 11 Sn 0.80077948897152 0.66596505645475 0.82502729592321 118.710 > 7 12 Sn 0.80077948897152 0.99929838978809 0.82502729592321 118.710 > 7 13 Sn 0.60087394817385 0.16598833171011 0.34040706200179 118.710 > 13 14 Sn 0.60087394817385 0.49932166504344 0.34040706200179 118.710 > 13 15 Sn 0.60087394817385 0.83265499837677 0.34040706200179 118.710 > 13 16 Sn 0.60087394817385 0.16598833171011 0.84040706200179 118.710 > 13 17 Sn 0.60087394817385 0.49932166504344 0.84040706200179 118.710 > 13 18 Sn 0.60087394817385 0.83265499837677 0.84040706200179 118.710 > 13 19 Sn 0.39912605182615 0.16734500162323 0.15959293799821 118.710 > 19 20 Sn 0.39912605182615 0.50067833495656 0.15959293799821 118.710 > 19 21 Sn 0.39912605182615 0.83401166828989 0.15959293799821 118.710 > 19 22 Sn 0.39912605182615 0.16734500162323 0.65959293799821 118.710 > 19 23 Sn 0.39912605182615 0.50067833495656 0.65959293799821 118.710 > 19 24 Sn 0.39912605182615 0.83401166828989 0.65959293799821 118.710 > 19 25 Sn 0.19922051102848 0.16596505645475 0.42497270407679 118.710 > 25 26 Sn 0.19922051102848 0.49929838978809 0.42497270407679 118.710 > 25 27 Sn 0.19922051102848 0.83263172312142 0.42497270407679 118.710 > 25 28 Sn 0.19922051102848 0.16596505645475 0.92497270407679 118.710 > 25 29 Sn 0.19922051102848 0.49929838978809 0.92497270407679 118.710 > 25 30 Sn 0.19922051102848 0.83263172312142 0.92497270407679 118.710 > 25 31 Sn 0.39912605182615 0.33265499837677 0.40959293799821 118.710 > 31 32 Sn 0.39912605182615 0.66598833171011 0.40959293799821 118.710 > 31 33 Sn 0.39912605182615 0.99932166504344 0.40959293799821 118.710 > 31 34 Sn 0.39912605182615 0.33265499837677 0.90959293799821 118.710 > 31 35 Sn 0.39912605182615 0.66598833171011 0.90959293799821 118.710 > 31 36 Sn 0.39912605182615 0.99932166504344 0.90959293799821 118.710 > 31 37 Sn 0.19922051102848 0.00070161021191 0.17497270407679 118.710 > 37 38 Sn 0.19922051102848 0.33403494354525 0.17497270407679 118.710 > 37 39 Sn 0.19922051102848 0.66736827687858 0.17497270407679 118.710 > 37 40 Sn 0.19922051102848 0.00070161021191 0.67497270407679 118.710 > 37 41 Sn 0.19922051102848 0.33403494354525 0.67497270407679 118.710 > 37 42 Sn 0.19922051102848 0.66736827687858 0.67497270407679 118.710 > 37 43 Sn 0.00000000000000 0.16666666666667 0.25000000000000 118.710 > 43 44 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 43 45 Sn 0.00000000000000 0.83333333333333 0.25000000000000 118.710 > 43 46 Sn 0.00000000000000 0.16666666666667 0.75000000000000 118.710 > 43 47 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 43 48 Sn 0.00000000000000 0.83333333333333 0.75000000000000 118.710 > 43 49 Sn 0.80077948897152 0.16736827687858 0.07502729592321 118.710 > 49 50 Sn 0.80077948897152 0.50070161021191 0.07502729592321 118.710 > 49 51 Sn 0.80077948897152 0.83403494354525 0.07502729592321 118.710 > 49 52 Sn 0.80077948897152 0.16736827687858 0.57502729592321 118.710 > 49 53 Sn 0.80077948897152 0.50070161021191 0.57502729592321 118.710 > 49 54 Sn 0.80077948897152 0.83403494354525 0.57502729592321 118.710 > 49 55 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 55 56 Sn 0.00000000000000 0.33333333333333 0.00000000000000 118.710 > 55 57 Sn 0.00000000000000 0.66666666666667 0.00000000000000 118.710 > 55 58 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 55 59 Sn 0.00000000000000 0.33333333333333 0.50000000000000 118.710 > 55 60 Sn 0.00000000000000 0.66666666666667 0.50000000000000 118.710 > 55 61 O 0.85794519547067 0.05922120173530 0.48061408916652 15.999 > 61 62 O 0.85794519547067 0.39255453506863 0.48061408916652 15.999 > 61 63 O 0.85794519547067 0.72588786840197 0.48061408916652 15.999 > 61 64 O 0.85794519547067 0.05922120173530 0.98061408916652 15.999 > 61 65 O 0.85794519547067 0.39255453506863 0.98061408916652 15.999 > 61 66 O 0.85794519547067 0.72588786840197 0.98061408916652 15.999 > 61 67 O 0.14205480452933 0.27411213159803 0.01938591083348 15.999 > 67 68 O 0.14205480452933 0.60744546493137 0.01938591083348 15.999 > 67 69 O 0.14205480452933 0.94077879826470 0.01938591083348 15.999 > 67 70 O 0.14205480452933 0.27411213159803 0.51938591083348 15.999 > 67 71 O 0.14205480452933 0.60744546493137 0.51938591083348 15.999 > 67 72 O 0.14205480452933 0.94077879826470 0.51938591083348 15.999 > 67 73 O 0.14205480452933 0.22588786840197 0.26938591083348 15.999 > 73 74 O 0.14205480452933 0.55922120173530 0.26938591083348 15.999 > 73 75 O 0.14205480452933 0.89255453506863 0.26938591083348 15.999 > 73 76 O 0.14205480452933 0.22588786840197 0.76938591083348 15.999 > 73 77 O 0.14205480452933 0.55922120173530 0.76938591083348 15.999 > 73 78 O 0.14205480452933 0.89255453506863 0.76938591083348 15.999 > 73 79 O 0.05890388111612 0.06593852122242 0.14590138415178 15.999 > 79 80 O 0.05890388111612 0.39927185455576 0.14590138415178 15.999 > 79 81 O 0.05890388111612 0.73260518788909 0.14590138415178 15.999 > 79 82 O 0.05890388111612 0.06593852122242 0.64590138415178 15.999 > 79 83 O 0.05890388111612 0.39927185455576 0.64590138415178 15.999 > 79 84 O 0.05890388111612 0.73260518788909 0.64590138415178 15.999 > 79 85 O 0.94109611888388 0.26739481211091 0.35409861584822 15.999 > 85 86 O 0.94109611888388 0.60072814544424 0.35409861584822 15.999 > 85 87 O 0.94109611888388 0.93406147877758 0.35409861584822 15.999 > 85 88 O 0.94109611888388 0.26739481211091 0.85409861584822 15.999 > 85 89 O 0.94109611888388 0.60072814544424 0.85409861584822 15.999 > 85 90 O 0.94109611888388 0.93406147877758 0.85409861584822 15.999 > 85 91 O 0.45443981145169 0.10779198795766 0.31530317679132 15.999 > 91 92 O 0.45443981145169 0.44112532129099 0.31530317679132 15.999 > 91 93 O 0.45443981145169 0.77445865462432 0.31530317679132 15.999 > 91 94 O 0.45443981145169 0.10779198795766 0.81530317679132 15.999 > 91 95 O 0.45443981145169 0.44112532129099 0.81530317679132 15.999 > 91 96 O 0.45443981145169 0.77445865462432 0.81530317679132 15.999 > 91 97 O 0.45443981145169 0.05887467870901 0.06530317679132 15.999 > 97 98 O 0.45443981145169 0.39220801204234 0.06530317679132 15.999 > 97 99 O 0.45443981145169 0.72554134537568 0.06530317679132 15.999 > 97 100 O 0.45443981145169 0.05887467870901 0.56530317679132 15.999 > 97 101 O 0.45443981145169 0.39220801204234 0.56530317679132 15.999 > 97 102 O 0.45443981145169 0.72554134537568 0.56530317679132 15.999 > 97 103 O 0.85794519547067 0.10744546493137 0.23061408916652 15.999 > 103 104 O 0.85794519547067 0.44077879826470 0.23061408916652 15.999 > 103 105 O 0.85794519547067 0.77411213159803 0.23061408916652 15.999 > 103 106 O 0.85794519547067 0.10744546493137 0.73061408916652 15.999 > 103 107 O 0.85794519547067 0.44077879826470 0.73061408916652 15.999 > 103 108 O 0.85794519547067 0.77411213159803 0.73061408916652 15.999 > 103 109 O 0.54556018854831 0.22554134537568 0.18469682320868 15.999 > 109 110 O 0.54556018854831 0.55887467870901 0.18469682320868 15.999 > 109 111 O 0.54556018854831 0.89220801204234 0.18469682320868 15.999 > 109 112 O 0.54556018854831 0.22554134537568 0.68469682320868 15.999 > 109 113 O 0.54556018854831 0.55887467870901 0.68469682320868 15.999 > 109 114 O 0.54556018854831 0.89220801204234 0.68469682320868 15.999 > 109 115 O 0.54556018854831 0.27445865462432 0.43469682320868 15.999 > 115 116 O 0.54556018854831 0.60779198795766 0.43469682320868 15.999 > 115 117 O 0.54556018854831 0.94112532129099 0.43469682320868 15.999 > 115 118 O 0.54556018854831 0.27445865462432 0.93469682320868 15.999 > 115 119 O 0.54556018854831 0.60779198795766 0.93469682320868 15.999 > 115 120 O 0.54556018854831 0.94112532129099 0.93469682320868 15.999 > 115 121 O 0.94109611888388 0.23260518788909 0.10409861584822 15.999 > 121 122 O 0.94109611888388 0.56593852122242 0.10409861584822 15.999 > 121 123 O 0.94109611888388 0.89927185455576 0.10409861584822 15.999 > 121 124 O 0.94109611888388 0.23260518788909 0.60409861584822 15.999 > 121 125 O 0.94109611888388 0.56593852122242 0.60409861584822 15.999 > 121 126 O 0.94109611888388 0.89927185455576 0.60409861584822 15.999 > 121 127 O 0.05890388111612 0.10072814544424 0.39590138415178 15.999 > 127 128 O 0.05890388111612 0.43406147877758 0.39590138415178 15.999 > 127 129 O 0.05890388111612 0.76739481211091 0.39590138415178 15.999 > 127 130 O 0.05890388111612 0.10072814544424 0.89590138415178 15.999 > 127 131 O 0.05890388111612 0.43406147877758 0.89590138415178 15.999 > 127 132 O 0.05890388111612 0.76739481211091 0.89590138415178 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.4152751 0.0000000 0.3354497 0.0000000 7.3321884 0.0000000 0.3354538 0.0000000 6.9175769 -------------------------- Born effective charges -------------------------- 1 Sn 2.8989183 0.0725163 0.3107893 -0.1491414 2.7261335 -0.3080812 0.2245376 -0.3348470 2.6202576 2 Sn 3.1061492 -0.1159220 0.3014019 -0.0903589 2.6358706 -0.1178442 0.4068075 -0.3576418 2.6729701 3 Sn 2.8989183 -0.0725163 0.3107893 0.1491414 2.7261335 0.3080812 0.2245376 0.3348470 2.6202576 4 Sn 2.8989183 -0.0725163 0.3107893 0.1491414 2.7261335 0.3080812 0.2245376 0.3348470 2.6202576 5 Sn 3.1061492 0.1159220 0.3014019 0.0903589 2.6358706 0.1178442 0.4068075 0.3576418 2.6729701 6 Sn 2.8989183 0.0725163 0.3107893 -0.1491414 2.7261335 -0.3080812 0.2245376 -0.3348470 2.6202576 7 Sn 3.1061492 -0.1159220 0.3014019 -0.0903589 2.6358706 -0.1178442 0.4068075 -0.3576418 2.6729701 8 Sn 5.3336714 -0.6614871 0.3179797 -0.1195818 4.2044089 1.1051467 0.1572275 0.4973308 4.2005521 9 Sn 3.1061492 0.1159220 0.3014019 0.0903589 2.6358706 0.1178442 0.4068075 0.3576418 2.6729701 10 Sn 5.3336714 0.6614871 0.3179797 0.1195818 4.2044089 -1.1051467 0.1572275 -0.4973308 4.2005521 11 O -2.6690580 0.5808406 -0.1574539 0.6480427 -2.6024931 -0.8753737 -0.1643104 -1.3084573 -2.6783768 12 O -2.6690580 0.5808406 -0.1574539 0.6480427 -2.6024931 -0.8753737 -0.1643104 -1.3084573 -2.6783768 13 O -2.6690580 -0.5808406 -0.1574539 -0.6480427 -2.6024931 0.8753737 -0.1643104 1.3084573 -2.6783768 14 O -3.1062581 0.6268870 -0.3114735 0.8779128 -2.1589406 -0.5457988 -0.2961813 -0.4714633 -2.0775496 15 O -3.1062581 0.6268870 -0.3114735 0.8779128 -2.1589406 -0.5457988 -0.2961813 -0.4714633 -2.0775496 16 O -2.8965871 -0.6752101 -0.3022535 -1.2682630 -2.7027749 0.9839423 -0.2494672 1.3996342 -2.6375773 17 O -2.8965871 0.6752101 -0.3022535 1.2682630 -2.7027749 -0.9839423 -0.2494672 -1.3996342 -2.6375773 18 O -2.6690580 -0.5808406 -0.1574539 -0.6480427 -2.6024931 0.8753737 -0.1643104 1.3084573 -2.6783768 19 O -2.8965871 -0.6752101 -0.3022535 -1.2682630 -2.7027749 0.9839423 -0.2494672 1.3996342 -2.6375773 20 O -2.8965871 0.6752101 -0.3022535 1.2682630 -2.7027749 -0.9839423 -0.2494672 -1.3996342 -2.6375773 21 O -3.1062581 -0.6268870 -0.3114735 -0.8779128 -2.1589406 0.5457988 -0.2961813 0.4714633 -2.0775496 22 O -3.1062581 -0.6268870 -0.3114735 -0.8779128 -2.1589406 0.5457988 -0.2961813 0.4714633 -2.0775496 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 43, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 61, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 91, 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] [-0.0005 0.0000 0.0100] [ 0.0005 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:43:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:43:53]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 4.849181429999999 0.000000000000000 c -0.262380099263662 0.000000000000000 5.812863121529158 Atomic positions (fractional): 1 Sn 0.60087394817385 0.00203500486968 0.18081412400358 118.710 2 Sn 0.80077948897152 0.99789516936426 0.65005459184642 118.710 3 Sn 0.60087394817385 0.49796499513032 0.68081412400358 118.710 4 Sn 0.39912605182615 0.50203500486968 0.31918587599642 118.710 5 Sn 0.19922051102848 0.49789516936426 0.84994540815358 118.710 6 Sn 0.39912605182615 0.99796499513032 0.81918587599642 118.710 7 Sn 0.19922051102848 0.00210483063574 0.34994540815358 118.710 8 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 9 Sn 0.80077948897152 0.50210483063574 0.15005459184642 118.710 10 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 11 O 0.85794519547067 0.17766360520590 0.96122817833304 15.999 12 O 0.14205480452933 0.82233639479410 0.03877182166696 15.999 13 O 0.14205480452933 0.67766360520590 0.53877182166696 15.999 14 O 0.05890388111612 0.19781556366727 0.29180276830355 15.999 15 O 0.94109611888388 0.80218443633273 0.70819723169645 15.999 16 O 0.45443981145169 0.32337596387297 0.63060635358265 15.999 17 O 0.45443981145169 0.17662403612703 0.13060635358264 15.999 18 O 0.85794519547067 0.32233639479410 0.46122817833304 15.999 19 O 0.54556018854831 0.67662403612703 0.36939364641736 15.999 20 O 0.54556018854831 0.82337596387297 0.86939364641735 15.999 21 O 0.94109611888388 0.69781556366727 0.20819723169645 15.999 22 O 0.05890388111612 0.30218443633273 0.79180276830355 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.363325092071040 0.000000000000000 0.000000000000000 b 0.000000000000000 14.547544289999998 0.000000000000000 c -0.524760198527324 0.000000000000000 11.625726243058317 Atomic positions (fractional): 1 Sn 0.60087394817385 0.00067833495656 0.09040706200179 118.710 > 1 2 Sn 0.60087394817385 0.33401166828989 0.09040706200179 118.710 > 1 3 Sn 0.60087394817385 0.66734500162323 0.09040706200179 118.710 > 1 4 Sn 0.60087394817385 0.00067833495656 0.59040706200179 118.710 > 1 5 Sn 0.60087394817385 0.33401166828989 0.59040706200179 118.710 > 1 6 Sn 0.60087394817385 0.66734500162323 0.59040706200179 118.710 > 1 7 Sn 0.80077948897152 0.33263172312142 0.32502729592321 118.710 > 7 8 Sn 0.80077948897152 0.66596505645475 0.32502729592321 118.710 > 7 9 Sn 0.80077948897152 0.99929838978809 0.32502729592321 118.710 > 7 10 Sn 0.80077948897152 0.33263172312142 0.82502729592321 118.710 > 7 11 Sn 0.80077948897152 0.66596505645475 0.82502729592321 118.710 > 7 12 Sn 0.80077948897152 0.99929838978809 0.82502729592321 118.710 > 7 13 Sn 0.60087394817385 0.16598833171011 0.34040706200179 118.710 > 13 14 Sn 0.60087394817385 0.49932166504344 0.34040706200179 118.710 > 13 15 Sn 0.60087394817385 0.83265499837677 0.34040706200179 118.710 > 13 16 Sn 0.60087394817385 0.16598833171011 0.84040706200179 118.710 > 13 17 Sn 0.60087394817385 0.49932166504344 0.84040706200179 118.710 > 13 18 Sn 0.60087394817385 0.83265499837677 0.84040706200179 118.710 > 13 19 Sn 0.39912605182615 0.16734500162323 0.15959293799821 118.710 > 19 20 Sn 0.39912605182615 0.50067833495656 0.15959293799821 118.710 > 19 21 Sn 0.39912605182615 0.83401166828989 0.15959293799821 118.710 > 19 22 Sn 0.39912605182615 0.16734500162323 0.65959293799821 118.710 > 19 23 Sn 0.39912605182615 0.50067833495656 0.65959293799821 118.710 > 19 24 Sn 0.39912605182615 0.83401166828989 0.65959293799821 118.710 > 19 25 Sn 0.19922051102848 0.16596505645475 0.42497270407679 118.710 > 25 26 Sn 0.19922051102848 0.49929838978809 0.42497270407679 118.710 > 25 27 Sn 0.19922051102848 0.83263172312142 0.42497270407679 118.710 > 25 28 Sn 0.19922051102848 0.16596505645475 0.92497270407679 118.710 > 25 29 Sn 0.19922051102848 0.49929838978809 0.92497270407679 118.710 > 25 30 Sn 0.19922051102848 0.83263172312142 0.92497270407679 118.710 > 25 31 Sn 0.39912605182615 0.33265499837677 0.40959293799821 118.710 > 31 32 Sn 0.39912605182615 0.66598833171011 0.40959293799821 118.710 > 31 33 Sn 0.39912605182615 0.99932166504344 0.40959293799821 118.710 > 31 34 Sn 0.39912605182615 0.33265499837677 0.90959293799821 118.710 > 31 35 Sn 0.39912605182615 0.66598833171011 0.90959293799821 118.710 > 31 36 Sn 0.39912605182615 0.99932166504344 0.90959293799821 118.710 > 31 37 Sn 0.19922051102848 0.00070161021191 0.17497270407679 118.710 > 37 38 Sn 0.19922051102848 0.33403494354525 0.17497270407679 118.710 > 37 39 Sn 0.19922051102848 0.66736827687858 0.17497270407679 118.710 > 37 40 Sn 0.19922051102848 0.00070161021191 0.67497270407679 118.710 > 37 41 Sn 0.19922051102848 0.33403494354525 0.67497270407679 118.710 > 37 42 Sn 0.19922051102848 0.66736827687858 0.67497270407679 118.710 > 37 43 Sn 0.00000000000000 0.16666666666667 0.25000000000000 118.710 > 43 44 Sn 0.00000000000000 0.50000000000000 0.25000000000000 118.710 > 43 45 Sn 0.00000000000000 0.83333333333333 0.25000000000000 118.710 > 43 46 Sn 0.00000000000000 0.16666666666667 0.75000000000000 118.710 > 43 47 Sn 0.00000000000000 0.50000000000000 0.75000000000000 118.710 > 43 48 Sn 0.00000000000000 0.83333333333333 0.75000000000000 118.710 > 43 49 Sn 0.80077948897152 0.16736827687858 0.07502729592321 118.710 > 49 50 Sn 0.80077948897152 0.50070161021191 0.07502729592321 118.710 > 49 51 Sn 0.80077948897152 0.83403494354525 0.07502729592321 118.710 > 49 52 Sn 0.80077948897152 0.16736827687858 0.57502729592321 118.710 > 49 53 Sn 0.80077948897152 0.50070161021191 0.57502729592321 118.710 > 49 54 Sn 0.80077948897152 0.83403494354525 0.57502729592321 118.710 > 49 55 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 55 56 Sn 0.00000000000000 0.33333333333333 0.00000000000000 118.710 > 55 57 Sn 0.00000000000000 0.66666666666667 0.00000000000000 118.710 > 55 58 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 55 59 Sn 0.00000000000000 0.33333333333333 0.50000000000000 118.710 > 55 60 Sn 0.00000000000000 0.66666666666667 0.50000000000000 118.710 > 55 61 O 0.85794519547067 0.05922120173530 0.48061408916652 15.999 > 61 62 O 0.85794519547067 0.39255453506863 0.48061408916652 15.999 > 61 63 O 0.85794519547067 0.72588786840197 0.48061408916652 15.999 > 61 64 O 0.85794519547067 0.05922120173530 0.98061408916652 15.999 > 61 65 O 0.85794519547067 0.39255453506863 0.98061408916652 15.999 > 61 66 O 0.85794519547067 0.72588786840197 0.98061408916652 15.999 > 61 67 O 0.14205480452933 0.27411213159803 0.01938591083348 15.999 > 67 68 O 0.14205480452933 0.60744546493137 0.01938591083348 15.999 > 67 69 O 0.14205480452933 0.94077879826470 0.01938591083348 15.999 > 67 70 O 0.14205480452933 0.27411213159803 0.51938591083348 15.999 > 67 71 O 0.14205480452933 0.60744546493137 0.51938591083348 15.999 > 67 72 O 0.14205480452933 0.94077879826470 0.51938591083348 15.999 > 67 73 O 0.14205480452933 0.22588786840197 0.26938591083348 15.999 > 73 74 O 0.14205480452933 0.55922120173530 0.26938591083348 15.999 > 73 75 O 0.14205480452933 0.89255453506863 0.26938591083348 15.999 > 73 76 O 0.14205480452933 0.22588786840197 0.76938591083348 15.999 > 73 77 O 0.14205480452933 0.55922120173530 0.76938591083348 15.999 > 73 78 O 0.14205480452933 0.89255453506863 0.76938591083348 15.999 > 73 79 O 0.05890388111612 0.06593852122242 0.14590138415178 15.999 > 79 80 O 0.05890388111612 0.39927185455576 0.14590138415178 15.999 > 79 81 O 0.05890388111612 0.73260518788909 0.14590138415178 15.999 > 79 82 O 0.05890388111612 0.06593852122242 0.64590138415178 15.999 > 79 83 O 0.05890388111612 0.39927185455576 0.64590138415178 15.999 > 79 84 O 0.05890388111612 0.73260518788909 0.64590138415178 15.999 > 79 85 O 0.94109611888388 0.26739481211091 0.35409861584822 15.999 > 85 86 O 0.94109611888388 0.60072814544424 0.35409861584822 15.999 > 85 87 O 0.94109611888388 0.93406147877758 0.35409861584822 15.999 > 85 88 O 0.94109611888388 0.26739481211091 0.85409861584822 15.999 > 85 89 O 0.94109611888388 0.60072814544424 0.85409861584822 15.999 > 85 90 O 0.94109611888388 0.93406147877758 0.85409861584822 15.999 > 85 91 O 0.45443981145169 0.10779198795766 0.31530317679132 15.999 > 91 92 O 0.45443981145169 0.44112532129099 0.31530317679132 15.999 > 91 93 O 0.45443981145169 0.77445865462432 0.31530317679132 15.999 > 91 94 O 0.45443981145169 0.10779198795766 0.81530317679132 15.999 > 91 95 O 0.45443981145169 0.44112532129099 0.81530317679132 15.999 > 91 96 O 0.45443981145169 0.77445865462432 0.81530317679132 15.999 > 91 97 O 0.45443981145169 0.05887467870901 0.06530317679132 15.999 > 97 98 O 0.45443981145169 0.39220801204234 0.06530317679132 15.999 > 97 99 O 0.45443981145169 0.72554134537568 0.06530317679132 15.999 > 97 100 O 0.45443981145169 0.05887467870901 0.56530317679132 15.999 > 97 101 O 0.45443981145169 0.39220801204234 0.56530317679132 15.999 > 97 102 O 0.45443981145169 0.72554134537568 0.56530317679132 15.999 > 97 103 O 0.85794519547067 0.10744546493137 0.23061408916652 15.999 > 103 104 O 0.85794519547067 0.44077879826470 0.23061408916652 15.999 > 103 105 O 0.85794519547067 0.77411213159803 0.23061408916652 15.999 > 103 106 O 0.85794519547067 0.10744546493137 0.73061408916652 15.999 > 103 107 O 0.85794519547067 0.44077879826470 0.73061408916652 15.999 > 103 108 O 0.85794519547067 0.77411213159803 0.73061408916652 15.999 > 103 109 O 0.54556018854831 0.22554134537568 0.18469682320868 15.999 > 109 110 O 0.54556018854831 0.55887467870901 0.18469682320868 15.999 > 109 111 O 0.54556018854831 0.89220801204234 0.18469682320868 15.999 > 109 112 O 0.54556018854831 0.22554134537568 0.68469682320868 15.999 > 109 113 O 0.54556018854831 0.55887467870901 0.68469682320868 15.999 > 109 114 O 0.54556018854831 0.89220801204234 0.68469682320868 15.999 > 109 115 O 0.54556018854831 0.27445865462432 0.43469682320868 15.999 > 115 116 O 0.54556018854831 0.60779198795766 0.43469682320868 15.999 > 115 117 O 0.54556018854831 0.94112532129099 0.43469682320868 15.999 > 115 118 O 0.54556018854831 0.27445865462432 0.93469682320868 15.999 > 115 119 O 0.54556018854831 0.60779198795766 0.93469682320868 15.999 > 115 120 O 0.54556018854831 0.94112532129099 0.93469682320868 15.999 > 115 121 O 0.94109611888388 0.23260518788909 0.10409861584822 15.999 > 121 122 O 0.94109611888388 0.56593852122242 0.10409861584822 15.999 > 121 123 O 0.94109611888388 0.89927185455576 0.10409861584822 15.999 > 121 124 O 0.94109611888388 0.23260518788909 0.60409861584822 15.999 > 121 125 O 0.94109611888388 0.56593852122242 0.60409861584822 15.999 > 121 126 O 0.94109611888388 0.89927185455576 0.60409861584822 15.999 > 121 127 O 0.05890388111612 0.10072814544424 0.39590138415178 15.999 > 127 128 O 0.05890388111612 0.43406147877758 0.39590138415178 15.999 > 127 129 O 0.05890388111612 0.76739481211091 0.39590138415178 15.999 > 127 130 O 0.05890388111612 0.10072814544424 0.89590138415178 15.999 > 127 131 O 0.05890388111612 0.43406147877758 0.89590138415178 15.999 > 127 132 O 0.05890388111612 0.76739481211091 0.89590138415178 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.4152751 0.0000000 0.3354497 0.0000000 7.3321884 0.0000000 0.3354538 0.0000000 6.9175769 -------------------------- Born effective charges -------------------------- 1 Sn 2.8989183 0.0725163 0.3107893 -0.1491414 2.7261335 -0.3080812 0.2245376 -0.3348470 2.6202576 2 Sn 3.1061492 -0.1159220 0.3014019 -0.0903589 2.6358706 -0.1178442 0.4068075 -0.3576418 2.6729701 3 Sn 2.8989183 -0.0725163 0.3107893 0.1491414 2.7261335 0.3080812 0.2245376 0.3348470 2.6202576 4 Sn 2.8989183 -0.0725163 0.3107893 0.1491414 2.7261335 0.3080812 0.2245376 0.3348470 2.6202576 5 Sn 3.1061492 0.1159220 0.3014019 0.0903589 2.6358706 0.1178442 0.4068075 0.3576418 2.6729701 6 Sn 2.8989183 0.0725163 0.3107893 -0.1491414 2.7261335 -0.3080812 0.2245376 -0.3348470 2.6202576 7 Sn 3.1061492 -0.1159220 0.3014019 -0.0903589 2.6358706 -0.1178442 0.4068075 -0.3576418 2.6729701 8 Sn 5.3336714 -0.6614871 0.3179797 -0.1195818 4.2044089 1.1051467 0.1572275 0.4973308 4.2005521 9 Sn 3.1061492 0.1159220 0.3014019 0.0903589 2.6358706 0.1178442 0.4068075 0.3576418 2.6729701 10 Sn 5.3336714 0.6614871 0.3179797 0.1195818 4.2044089 -1.1051467 0.1572275 -0.4973308 4.2005521 11 O -2.6690580 0.5808406 -0.1574539 0.6480427 -2.6024931 -0.8753737 -0.1643104 -1.3084573 -2.6783768 12 O -2.6690580 0.5808406 -0.1574539 0.6480427 -2.6024931 -0.8753737 -0.1643104 -1.3084573 -2.6783768 13 O -2.6690580 -0.5808406 -0.1574539 -0.6480427 -2.6024931 0.8753737 -0.1643104 1.3084573 -2.6783768 14 O -3.1062581 0.6268870 -0.3114735 0.8779128 -2.1589406 -0.5457988 -0.2961813 -0.4714633 -2.0775496 15 O -3.1062581 0.6268870 -0.3114735 0.8779128 -2.1589406 -0.5457988 -0.2961813 -0.4714633 -2.0775496 16 O -2.8965871 -0.6752101 -0.3022535 -1.2682630 -2.7027749 0.9839423 -0.2494672 1.3996342 -2.6375773 17 O -2.8965871 0.6752101 -0.3022535 1.2682630 -2.7027749 -0.9839423 -0.2494672 -1.3996342 -2.6375773 18 O -2.6690580 -0.5808406 -0.1574539 -0.6480427 -2.6024931 0.8753737 -0.1643104 1.3084573 -2.6783768 19 O -2.8965871 -0.6752101 -0.3022535 -1.2682630 -2.7027749 0.9839423 -0.2494672 1.3996342 -2.6375773 20 O -2.8965871 0.6752101 -0.3022535 1.2682630 -2.7027749 -0.9839423 -0.2494672 -1.3996342 -2.6375773 21 O -3.1062581 -0.6268870 -0.3114735 -0.8779128 -2.1589406 0.5457988 -0.2961813 0.4714633 -2.0775496 22 O -3.1062581 -0.6268870 -0.3114735 -0.8779128 -2.1589406 0.5457988 -0.2961813 0.4714633 -2.0775496 ---------------------------------------------------------------------------- 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 10 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: 0.58, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.124 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.348 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 12.327 ( 0.000 0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.652 ( 0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 12.744 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 13.922 ( 0.000 0.000 0.000) 0.000 13.964 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.396 ( 0.000 0.000 0.000) 0.000 14.779 ( 0.000 0.000 0.000) 0.000 15.369 ( 0.000 0.000 0.000) 0.000 15.939 ( 0.000 0.000 0.000) 0.000 16.396 ( 0.000 0.000 0.000) 0.000 16.629 ( 0.000 0.000 0.000) 0.000 16.918 ( 0.000 0.000 0.000) 0.000 17.031 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 18.866 ( 0.000 0.000 0.000) 0.000 19.388 ( 0.000 0.000 0.000) 0.000 20.486 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 18.857 0.000 18.997) 26.767 0.400 ( 20.865 0.000 -3.010) 21.081 0.483 ( 24.696 0.000 -4.779) 25.155 1.020 ( -10.087 0.000 -9.509) 13.862 1.097 ( -12.401 0.000 1.730) 12.521 1.236 ( -11.474 0.000 3.566) 12.015 1.858 ( 0.496 0.000 0.461) 0.677 2.135 ( 3.323 0.000 0.004) 3.323 2.379 ( -0.621 0.000 0.126) 0.634 2.395 ( -0.973 0.000 1.139) 1.498 2.508 ( 2.483 0.000 1.234) 2.773 2.544 ( 0.646 0.000 -3.192) 3.257 2.839 ( 0.251 0.000 -1.375) 1.398 2.871 ( -1.103 0.000 1.597) 1.941 2.922 ( -0.254 0.000 -1.059) 1.089 3.372 ( -0.209 0.000 0.008) 0.209 3.427 ( 1.154 0.000 0.311) 1.195 3.770 ( 0.055 0.000 0.097) 0.112 3.786 ( 1.139 0.000 -0.765) 1.372 3.873 ( -1.011 0.000 0.085) 1.015 4.061 ( -1.409 0.000 0.913) 1.679 4.256 ( 0.640 0.000 0.245) 0.686 4.539 ( -0.057 0.000 -0.228) 0.235 4.884 ( 0.210 0.000 -0.040) 0.214 4.935 ( -1.517 0.000 0.464) 1.586 5.279 ( 2.891 0.000 -0.980) 3.053 5.375 ( -1.218 0.000 -3.314) 3.531 5.589 ( 0.323 0.000 -5.689) 5.698 5.917 ( 0.026 0.000 0.077) 0.081 6.023 ( 0.043 0.000 0.141) 0.148 6.282 ( -0.053 0.000 -0.103) 0.116 6.414 ( 0.073 0.000 0.010) 0.074 6.458 ( -0.106 0.000 -0.211) 0.237 6.498 ( -0.153 0.000 0.006) 0.153 6.580 ( -0.007 0.000 0.217) 0.217 6.646 ( 0.255 0.000 -6.701) 6.705 7.134 ( 0.686 0.000 -14.925) 14.941 7.357 ( -0.505 0.000 -0.141) 0.525 7.495 ( 0.612 0.000 0.107) 0.621 8.006 ( -0.082 0.000 1.898) 1.900 8.252 ( 0.004 0.000 0.004) 0.006 9.178 ( -0.032 0.000 0.001) 0.032 12.327 ( -0.063 0.000 0.082) 0.103 12.328 ( -0.386 0.000 -0.277) 0.475 12.654 ( -1.109 0.000 -0.120) 1.116 12.743 ( -0.058 0.000 0.051) 0.077 12.957 ( 0.779 0.000 0.284) 0.829 13.607 ( -0.126 0.000 -0.041) 0.132 13.858 ( -1.893 0.000 61.596) 61.625 13.910 ( -0.664 0.000 -9.436) 9.459 13.968 ( 0.168 0.000 2.416) 2.422 14.094 ( -0.045 0.000 -0.006) 0.045 14.790 ( 0.883 0.000 0.046) 0.884 15.094 ( -1.288 0.000 29.192) 29.220 15.945 ( 0.584 0.000 -0.781) 0.975 16.361 ( -2.769 0.000 1.373) 3.091 16.656 ( 1.989 0.000 -0.584) 2.073 16.921 ( -0.142 0.000 8.364) 8.365 16.957 ( -0.343 0.000 -24.636) 24.638 17.054 ( 1.588 0.000 -2.142) 2.666 17.852 ( -0.062 0.000 0.283) 0.289 18.456 ( 0.951 0.000 -23.274) 23.293 18.663 ( 0.014 0.000 0.042) 0.044 18.926 ( 0.304 0.000 -8.603) 8.608 19.389 ( 0.035 0.000 -0.010) 0.036 20.486 ( -0.016 0.000 0.000) 0.016 ======================= Grid point 2 (3/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 0.000 -0.000) 0.000 0.708 ( 0.000 0.000 -0.000) 0.000 0.811 ( -0.000 0.000 0.000) 0.000 0.831 ( -0.000 0.000 0.000) 0.000 0.863 ( 0.000 0.000 -0.000) 0.000 1.011 ( 0.000 0.000 -0.000) 0.000 1.862 ( 0.000 0.000 -0.000) 0.000 2.175 ( 0.000 0.000 -0.000) 0.000 2.371 ( 0.000 0.000 -0.000) 0.000 2.387 ( 0.000 0.000 -0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.544 ( -0.000 0.000 -0.000) 0.000 2.843 ( 0.000 0.000 -0.000) 0.000 2.857 ( -0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 -0.000) 0.000 3.370 ( 0.000 0.000 -0.000) 0.000 3.441 ( 0.000 0.000 -0.000) 0.000 3.771 ( 0.000 0.000 -0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 -0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 -0.000) 0.000 4.538 ( 0.000 0.000 -0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 -0.000) 0.000 5.341 ( -0.000 0.000 -0.000) 0.000 5.590 ( 0.000 0.000 -0.000) 0.000 5.918 ( 0.000 0.000 -0.000) 0.000 6.024 ( 0.000 0.000 -0.000) 0.000 6.281 ( 0.000 0.000 -0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 -0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 -0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 -0.000) 0.000 7.502 ( 0.000 0.000 -0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 -0.000) 0.000 9.178 ( 0.000 0.000 -0.000) 0.000 12.324 ( 0.000 0.000 -0.000) 0.000 12.326 ( 0.000 0.000 -0.000) 0.000 12.641 ( 0.000 0.000 -0.000) 0.000 12.742 ( 0.000 0.000 0.000) 0.000 12.966 ( 0.000 0.000 -0.000) 0.000 13.606 ( 0.000 0.000 -0.000) 0.000 13.874 ( 0.000 0.000 -0.000) 0.000 13.893 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 -0.000) 0.000 14.800 ( 0.000 0.000 -0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 -0.000) 0.000 16.330 ( 0.000 0.000 -0.000) 0.000 16.677 ( 0.000 0.000 -0.000) 0.000 16.925 ( 0.000 0.000 -0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.069 ( 0.000 0.000 0.000) 0.000 17.851 ( 0.000 0.000 0.000) 0.000 18.455 ( 0.000 0.000 -0.000) 0.000 18.663 ( 0.000 0.000 -0.000) 0.000 18.925 ( 0.000 0.000 -0.000) 0.000 19.389 ( 0.000 0.000 -0.000) 0.000 20.486 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/114) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 21.039 0.000) 21.039 0.582 ( 0.000 25.848 0.000) 25.848 0.665 ( 0.000 28.756 0.000) 28.756 1.198 ( 0.000 6.472 0.000) 6.472 1.286 ( 0.000 -3.637 0.000) 3.637 1.315 ( 0.000 9.290 0.000) 9.290 1.904 ( 0.000 4.706 0.000) 4.706 2.082 ( 0.000 -0.621 0.000) 0.621 2.299 ( 0.000 -6.518 0.000) 6.518 2.466 ( 0.000 -0.568 0.000) 0.568 2.488 ( 0.000 0.383 0.000) 0.383 2.511 ( 0.000 -2.417 0.000) 2.417 2.875 ( 0.000 -3.016 0.000) 3.016 2.892 ( 0.000 3.149 0.000) 3.149 3.027 ( 0.000 13.117 0.000) 13.117 3.350 ( 0.000 -3.957 0.000) 3.957 3.428 ( 0.000 -0.501 0.000) 0.501 3.671 ( 0.000 -1.969 0.000) 1.969 3.803 ( 0.000 -14.596 0.000) 14.596 3.855 ( 0.000 -2.807 0.000) 2.807 3.979 ( 0.000 12.238 0.000) 12.238 4.515 ( 0.000 14.055 0.000) 14.055 4.610 ( 0.000 3.555 0.000) 3.555 4.870 ( 0.000 -1.070 0.000) 1.070 4.946 ( 0.000 -0.175 0.000) 0.175 5.244 ( 0.000 -1.066 0.000) 1.066 5.293 ( 0.000 0.386 0.000) 0.386 5.517 ( 0.000 -3.481 0.000) 3.481 6.020 ( 0.000 -0.320 0.000) 0.320 6.076 ( 0.000 -0.936 0.000) 0.936 6.286 ( 0.000 -2.169 0.000) 2.169 6.389 ( 0.000 -9.397 0.000) 9.397 6.432 ( 0.000 -4.490 0.000) 4.490 6.523 ( 0.000 7.232 0.000) 7.232 6.711 ( 0.000 9.438 0.000) 9.438 6.738 ( 0.000 7.501 0.000) 7.501 6.967 ( 0.000 -5.740 0.000) 5.740 7.355 ( 0.000 -0.870 0.000) 0.870 7.674 ( 0.000 0.453 0.000) 0.453 7.964 ( 0.000 -3.335 0.000) 3.335 8.465 ( 0.000 -1.652 0.000) 1.652 9.168 ( 0.000 -1.200 0.000) 1.200 12.322 ( 0.000 -0.361 0.000) 0.361 12.350 ( 0.000 1.533 0.000) 1.533 12.657 ( 0.000 0.493 0.000) 0.493 12.721 ( 0.000 -1.627 0.000) 1.627 12.980 ( 0.000 3.089 0.000) 3.089 13.209 ( 0.000 0.896 0.000) 0.896 13.524 ( 0.000 -6.784 0.000) 6.784 13.943 ( 0.000 -1.393 0.000) 1.393 13.958 ( 0.000 2.535 0.000) 2.535 14.149 ( 0.000 1.560 0.000) 1.560 14.468 ( 0.000 6.405 0.000) 6.405 15.100 ( 0.000 0.870 0.000) 0.870 15.378 ( 0.000 0.223 0.000) 0.223 15.862 ( 0.000 -8.268 0.000) 8.268 16.493 ( 0.000 -13.148 0.000) 13.148 16.927 ( 0.000 -6.258 0.000) 6.258 16.958 ( 0.000 -6.194 0.000) 6.194 17.238 ( 0.000 -27.411 0.000) 27.411 17.546 ( 0.000 -13.335 0.000) 13.335 18.706 ( 0.000 16.621 0.000) 16.621 18.730 ( 0.000 3.256 0.000) 3.256 18.942 ( 0.000 6.910 0.000) 6.910 19.486 ( 0.000 7.856 0.000) 7.856 20.490 ( 0.000 0.120 0.000) 0.120 ======================= Grid point 6 (5/114) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 7.860 12.902 2.705) 15.348 0.684 ( 9.684 19.857 11.454) 24.885 0.873 ( 15.065 22.565 -5.206) 27.627 1.056 ( -14.521 -0.987 2.460) 14.761 1.129 ( -8.873 9.391 -10.704) 16.778 1.345 ( -3.342 10.890 3.257) 11.847 1.912 ( 0.618 4.554 0.556) 4.629 2.110 ( 2.422 -1.876 0.122) 3.066 2.282 ( -0.885 -5.756 0.470) 5.842 2.463 ( -0.188 -0.158 2.559) 2.571 2.486 ( -0.282 -2.089 -0.819) 2.261 2.508 ( -0.497 -0.911 -1.676) 1.972 2.867 ( -0.917 -0.237 -0.359) 1.013 2.901 ( 0.786 0.717 0.348) 1.120 3.028 ( 0.096 13.202 -0.100) 13.203 3.346 ( 0.625 -2.524 -0.061) 2.601 3.417 ( -0.980 -1.458 0.033) 1.757 3.674 ( 0.304 -2.072 -0.350) 2.123 3.737 ( -3.872 -12.885 -0.397) 13.460 3.888 ( 1.556 -4.154 -0.169) 4.439 3.992 ( 0.919 12.013 0.419) 12.055 4.505 ( -0.459 13.434 0.537) 13.452 4.591 ( -1.144 4.481 -0.366) 4.639 4.874 ( 0.330 -0.970 -0.009) 1.025 4.928 ( -1.286 -0.044 -0.038) 1.288 5.271 ( 2.538 -1.460 -1.179) 3.157 5.327 ( 1.259 -1.981 -0.268) 2.362 5.527 ( 0.769 -3.596 -1.370) 3.924 6.021 ( 0.044 -0.297 0.032) 0.301 6.037 ( -2.502 2.831 -0.770) 3.856 6.260 ( -1.241 -1.780 -0.581) 2.246 6.400 ( 0.611 -8.031 0.553) 8.074 6.425 ( -0.627 -4.600 0.567) 4.677 6.521 ( -0.039 6.706 -0.040) 6.706 6.656 ( -2.059 12.636 1.604) 12.903 6.769 ( 0.902 6.779 -3.075) 7.498 7.009 ( 2.665 -8.602 -4.937) 10.270 7.351 ( -0.398 -0.819 -0.028) 0.911 7.609 ( -3.725 5.073 -2.250) 6.684 7.967 ( 0.091 -3.438 0.959) 3.571 8.331 ( -6.028 3.891 -2.735) 7.678 9.171 ( 0.104 -1.063 -0.053) 1.069 12.298 ( -0.865 -1.151 2.252) 2.673 12.347 ( -0.329 1.696 -0.097) 1.730 12.704 ( 0.445 -1.982 5.103) 5.493 12.754 ( 0.901 5.066 -8.501) 9.937 12.969 ( 0.804 1.342 0.349) 1.602 13.487 ( 4.590 -11.641 18.020) 21.939 13.581 ( 9.642 -14.593 18.019) 25.112 13.934 ( -0.464 0.919 -8.032) 8.098 13.957 ( -0.338 0.528 6.602) 6.632 14.143 ( -0.364 2.801 1.955) 3.435 14.658 ( 13.461 -4.385 -13.272) 19.405 15.067 ( -4.103 -1.202 20.097) 20.547 15.556 ( 15.369 -18.186 -25.878) 35.165 15.864 ( -0.224 -8.140 3.109) 8.716 16.480 ( -1.235 -12.923 2.624) 13.244 16.934 ( -0.885 -11.153 13.144) 17.260 16.963 ( 0.797 -7.161 1.683) 7.400 17.097 ( -5.843 -11.950 -19.390) 23.514 17.793 ( 16.717 -17.409 12.451) 27.159 18.434 ( -17.106 13.632 -4.150) 22.263 18.800 ( 1.436 10.811 -5.762) 12.334 18.964 ( 1.241 5.058 -3.521) 6.286 19.484 ( -0.146 8.287 0.250) 8.292 20.499 ( 0.580 0.249 -0.416) 0.756 ======================= Grid point 7 (6/114) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -0.000 -2.709 -0.000) 2.709 0.782 ( 0.000 5.939 -0.000) 5.939 0.886 ( 0.000 5.942 -0.000) 5.942 0.939 ( 0.000 20.698 0.000) 20.698 1.089 ( -0.000 12.271 0.000) 12.271 1.249 ( 0.000 21.205 -0.000) 21.205 1.919 ( 0.000 4.799 -0.000) 4.799 2.140 ( 0.000 -2.988 -0.000) 2.988 2.275 ( 0.000 -5.353 -0.000) 5.353 2.470 ( -0.000 -4.266 -0.000) 4.266 2.476 ( 0.000 1.969 0.000) 1.969 2.498 ( -0.000 -2.549 -0.000) 2.549 2.856 ( 0.000 0.530 -0.000) 0.530 2.910 ( 0.000 0.579 -0.000) 0.579 3.029 ( 0.000 13.290 -0.000) 13.290 3.363 ( 0.000 -1.496 -0.000) 1.496 3.401 ( 0.000 -2.993 -0.000) 2.993 3.678 ( 0.000 -2.190 0.000) 2.190 3.697 ( 0.000 -13.610 -0.000) 13.610 3.903 ( 0.000 -4.001 0.000) 4.001 4.002 ( 0.000 12.239 -0.000) 12.239 4.503 ( 0.000 13.364 -0.000) 13.364 4.579 ( 0.000 3.965 -0.000) 3.965 4.878 ( 0.000 -0.864 -0.000) 0.864 4.914 ( 0.000 0.133 0.000) 0.133 5.315 ( 0.000 -3.080 -0.000) 3.080 5.319 ( -0.000 -0.784 0.000) 0.784 5.534 ( 0.000 -3.377 -0.000) 3.377 6.012 ( 0.000 3.632 -0.000) 3.632 6.022 ( 0.000 0.080 0.000) 0.080 6.249 ( 0.000 -2.156 -0.000) 2.156 6.407 ( 0.000 -8.269 -0.000) 8.269 6.416 ( 0.000 -3.741 0.000) 3.741 6.521 ( 0.000 6.250 -0.000) 6.250 6.640 ( 0.000 12.778 0.000) 12.778 6.775 ( 0.000 7.014 -0.000) 7.014 7.032 ( 0.000 -8.842 -0.000) 8.842 7.345 ( 0.000 -0.721 -0.000) 0.721 7.575 ( 0.000 5.276 -0.000) 5.276 7.968 ( 0.000 -3.417 0.000) 3.417 8.281 ( 0.000 2.322 -0.000) 2.322 9.171 ( 0.000 -0.940 -0.000) 0.940 12.292 ( 0.000 -1.679 -0.000) 1.679 12.343 ( 0.000 1.778 -0.000) 1.778 12.710 ( 0.000 -2.623 0.000) 2.623 12.749 ( 0.000 7.881 0.000) 7.881 12.981 ( 0.000 1.220 -0.000) 1.220 13.509 ( 0.000 -7.788 -0.000) 7.788 13.688 ( 0.000 -15.636 0.000) 15.636 13.923 ( 0.000 2.324 -0.000) 2.324 13.957 ( 0.000 -0.444 0.000) 0.444 14.141 ( 0.000 3.193 0.000) 3.193 14.791 ( 0.000 -0.228 -0.000) 0.228 15.020 ( 0.000 -6.598 0.000) 6.598 15.715 ( 0.000 -28.681 0.000) 28.681 15.857 ( 0.000 -6.894 -0.000) 6.894 16.466 ( 0.000 -12.784 -0.000) 12.784 16.921 ( 0.000 -18.356 -0.000) 18.356 16.977 ( 0.000 -10.440 -0.000) 10.440 17.044 ( 0.000 0.679 0.000) 0.679 18.061 ( 0.000 -24.271 0.000) 24.271 18.165 ( -0.000 21.944 -0.000) 21.944 18.808 ( 0.000 11.583 -0.000) 11.583 18.973 ( 0.000 4.849 -0.000) 4.849 19.483 ( 0.000 8.455 -0.000) 8.455 20.504 ( 0.000 0.604 -0.000) 0.604 ======================= Grid point 10 (7/114) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.000 17.516 0.000) 17.516 1.017 ( 0.000 16.228 0.000) 16.228 1.108 ( 0.000 13.937 0.000) 13.937 1.172 ( 0.000 -2.381 0.000) 2.381 1.496 ( 0.000 18.048 0.000) 18.048 1.600 ( 0.000 15.721 0.000) 15.721 2.019 ( 0.000 6.025 0.000) 6.025 2.123 ( 0.000 5.737 0.000) 5.737 2.163 ( 0.000 -5.426 0.000) 5.426 2.419 ( 0.000 -4.251 0.000) 4.251 2.451 ( 0.000 -3.308 0.000) 3.308 2.455 ( 0.000 -3.399 0.000) 3.399 2.810 ( 0.000 -3.165 0.000) 3.165 2.990 ( 0.000 6.217 0.000) 6.217 3.229 ( 0.000 -1.297 0.000) 1.297 3.362 ( 0.000 8.165 0.000) 8.165 3.423 ( 0.000 4.942 0.000) 4.942 3.558 ( 0.000 -8.820 0.000) 8.820 3.683 ( 0.000 2.480 0.000) 2.480 3.778 ( 0.000 -4.306 0.000) 4.306 4.255 ( 0.000 13.757 0.000) 13.757 4.695 ( 0.000 4.985 0.000) 4.985 4.736 ( 0.000 5.611 0.000) 5.611 4.836 ( 0.000 -2.300 0.000) 2.300 5.013 ( 0.000 8.116 0.000) 8.116 5.139 ( 0.000 -10.197 0.000) 10.197 5.295 ( 0.000 0.550 0.000) 0.550 5.485 ( 0.000 0.590 0.000) 0.590 6.011 ( 0.000 -0.421 0.000) 0.421 6.054 ( 0.000 -0.906 0.000) 0.906 6.191 ( 0.000 -9.505 0.000) 9.505 6.256 ( 0.000 -0.969 0.000) 0.969 6.304 ( 0.000 -7.696 0.000) 7.696 6.691 ( 0.000 8.650 0.000) 8.650 6.781 ( 0.000 -9.879 0.000) 9.879 6.901 ( 0.000 6.229 0.000) 6.229 6.954 ( 0.000 13.221 0.000) 13.221 7.329 ( 0.000 -1.625 0.000) 1.625 7.675 ( 0.000 -0.545 0.000) 0.545 7.880 ( 0.000 -4.461 0.000) 4.461 8.418 ( 0.000 -2.586 0.000) 2.586 9.119 ( 0.000 -3.791 0.000) 3.791 12.317 ( 0.000 -0.071 0.000) 0.071 12.390 ( 0.000 2.108 0.000) 2.108 12.675 ( 0.000 1.305 0.000) 1.305 12.695 ( 0.000 -0.668 0.000) 0.668 13.064 ( 0.000 4.113 0.000) 4.113 13.197 ( 0.000 -2.184 0.000) 2.184 13.381 ( 0.000 -5.820 0.000) 5.820 13.926 ( 0.000 -0.166 0.000) 0.166 14.005 ( 0.000 1.912 0.000) 1.912 14.162 ( 0.000 -0.565 0.000) 0.565 14.630 ( 0.000 8.583 0.000) 8.583 15.129 ( 0.000 1.789 0.000) 1.789 15.318 ( 0.000 -8.058 0.000) 8.058 15.651 ( 0.000 -11.553 0.000) 11.553 16.143 ( 0.000 -16.787 0.000) 16.787 16.504 ( 0.000 -29.082 0.000) 29.082 16.704 ( 0.000 -21.709 0.000) 21.709 16.774 ( 0.000 -10.378 0.000) 10.378 17.604 ( 0.000 13.269 0.000) 13.269 18.768 ( 0.000 0.768 0.000) 0.768 18.960 ( 0.000 8.002 0.000) 8.002 19.087 ( 0.000 5.955 0.000) 5.955 19.702 ( 0.000 12.013 0.000) 12.013 20.481 ( 0.000 -1.185 0.000) 1.185 ======================= Grid point 11 (8/114) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -4.116 16.045 3.956) 17.031 1.017 ( 0.551 11.213 5.258) 12.397 1.049 ( -8.002 3.542 -0.242) 8.754 1.231 ( 6.376 11.299 -3.582) 13.460 1.466 ( -1.943 20.724 -5.866) 21.626 1.662 ( 4.156 15.574 2.158) 16.263 2.024 ( 0.474 5.816 -0.157) 5.838 2.122 ( -0.172 5.630 0.559) 5.660 2.156 ( -0.380 -5.827 0.388) 5.852 2.402 ( -1.289 -4.356 0.566) 4.577 2.426 ( -1.338 -3.291 -1.325) 3.792 2.483 ( 1.136 -2.586 1.744) 3.320 2.812 ( 0.198 -3.397 -0.341) 3.420 2.995 ( 0.467 6.411 0.201) 6.431 3.235 ( 0.552 -1.150 0.115) 1.280 3.358 ( -0.328 4.899 -0.203) 4.914 3.408 ( -1.340 7.137 -0.353) 7.271 3.512 ( -3.458 -7.524 -0.357) 8.288 3.686 ( 0.207 2.732 -0.238) 2.750 3.804 ( 1.847 -4.460 0.499) 4.854 4.263 ( 0.649 13.452 0.101) 13.468 4.690 ( -0.124 5.774 0.286) 5.782 4.725 ( -1.111 5.652 0.060) 5.761 4.842 ( 0.478 -2.201 -0.118) 2.255 4.993 ( -1.406 7.624 -0.823) 7.797 5.149 ( 0.776 -11.059 -0.014) 11.086 5.305 ( 0.586 0.186 0.099) 0.623 5.501 ( 1.293 0.853 -0.490) 1.624 6.013 ( 0.182 -0.350 -0.069) 0.401 6.049 ( -0.404 -0.222 -0.214) 0.509 6.174 ( -1.167 -8.189 -0.930) 8.324 6.263 ( 0.396 -2.443 0.940) 2.648 6.302 ( -0.162 -7.526 -0.093) 7.528 6.686 ( -0.368 8.145 0.105) 8.154 6.798 ( 1.231 -10.545 1.298) 10.696 6.907 ( 0.514 6.918 1.451) 7.088 6.948 ( -0.446 13.434 -3.095) 13.793 7.326 ( -0.252 -1.522 -0.035) 1.543 7.663 ( -1.022 0.541 -0.356) 1.209 7.881 ( 0.067 -4.498 0.272) 4.507 8.367 ( -3.753 0.132 -1.854) 4.188 9.122 ( 0.236 -3.839 0.050) 3.846 12.294 ( -1.425 0.506 1.737) 2.303 12.391 ( -0.035 2.325 0.140) 2.329 12.661 ( -0.372 -1.158 6.169) 6.288 12.811 ( 7.433 0.089 -9.262) 11.876 13.032 ( -1.673 4.357 -1.582) 4.928 13.272 ( 5.079 -8.011 15.182) 17.901 13.378 ( -0.213 -6.670 -4.137) 7.852 13.941 ( 1.658 0.734 -4.045) 4.433 13.996 ( -1.111 2.128 3.579) 4.309 14.172 ( 0.825 -0.298 0.781) 1.175 14.679 ( 6.062 4.482 -11.798) 14.001 15.044 ( -9.828 -2.011 17.867) 20.491 15.323 ( 2.015 -8.901 -10.392) 13.831 15.702 ( 3.703 -7.580 -0.632) 8.460 16.161 ( 2.285 -16.825 -3.338) 17.305 16.408 ( -8.035 -28.419 9.910) 31.152 16.751 ( 3.114 -20.233 -0.376) 20.475 16.784 ( 0.984 -11.667 -6.712) 13.496 17.725 ( 10.929 9.111 0.715) 14.247 18.622 ( -12.029 4.851 7.181) 14.825 19.007 ( 2.876 7.305 -8.173) 11.333 19.089 ( 0.065 5.772 1.485) 5.960 19.703 ( 0.029 11.968 -0.084) 11.969 20.487 ( 0.513 -1.445 -0.184) 1.544 ======================= Grid point 12 (9/114) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 9.771 -0.000) 9.771 0.927 ( 0.000 7.869 -0.000) 7.869 1.048 ( 0.000 9.533 -0.000) 9.533 1.290 ( 0.000 10.093 0.000) 10.093 1.444 ( 0.000 22.776 0.000) 22.776 1.706 ( 0.000 17.299 -0.000) 17.299 2.030 ( 0.000 5.446 -0.000) 5.446 2.120 ( 0.000 4.927 -0.000) 4.927 2.155 ( 0.000 -6.093 -0.000) 6.093 2.388 ( -0.000 -4.054 -0.000) 4.054 2.409 ( 0.000 -3.087 0.000) 3.087 2.494 ( 0.000 -2.016 -0.000) 2.016 2.815 ( 0.000 -3.488 -0.000) 3.488 3.001 ( 0.000 6.635 -0.000) 6.635 3.242 ( 0.000 -1.022 -0.000) 1.022 3.356 ( 0.000 -0.680 -0.000) 0.680 3.389 ( 0.000 10.264 -0.000) 10.264 3.474 ( 0.000 -5.434 -0.000) 5.434 3.688 ( 0.000 2.816 -0.000) 2.816 3.824 ( 0.000 -4.272 0.000) 4.272 4.270 ( 0.000 13.158 -0.000) 13.158 4.698 ( -0.000 7.467 -0.000) 7.467 4.703 ( 0.000 4.533 0.000) 4.533 4.847 ( 0.000 -2.139 -0.000) 2.139 4.978 ( 0.000 7.202 -0.000) 7.202 5.158 ( 0.000 -12.029 -0.000) 12.029 5.310 ( 0.000 0.213 -0.000) 0.213 5.515 ( 0.000 1.049 -0.000) 1.049 6.015 ( 0.000 -0.258 0.000) 0.258 6.044 ( 0.000 0.418 -0.000) 0.418 6.161 ( 0.000 -7.815 -0.000) 7.815 6.267 ( 0.000 -3.092 0.000) 3.092 6.300 ( 0.000 -7.381 0.000) 7.381 6.682 ( 0.000 7.856 -0.000) 7.856 6.812 ( 0.000 -11.407 0.000) 11.407 6.916 ( 0.000 6.702 0.000) 6.702 6.938 ( 0.000 14.643 -0.000) 14.643 7.323 ( 0.000 -1.405 -0.000) 1.405 7.651 ( 0.000 1.463 -0.000) 1.463 7.881 ( 0.000 -4.526 0.000) 4.526 8.325 ( 0.000 1.670 -0.000) 1.670 9.125 ( 0.000 -3.826 -0.000) 3.826 12.282 ( 0.000 0.509 -0.000) 0.509 12.390 ( 0.000 2.535 -0.000) 2.535 12.662 ( 0.000 -1.522 0.000) 1.522 12.877 ( 0.000 2.636 0.000) 2.636 13.018 ( 0.000 3.103 -0.000) 3.103 13.349 ( 0.000 -15.340 0.000) 15.340 13.361 ( 0.000 -4.898 -0.000) 4.898 13.970 ( 0.000 1.989 -0.000) 1.989 13.973 ( -0.000 2.021 0.000) 2.021 14.183 ( 0.000 0.211 0.000) 0.211 14.811 ( 0.000 2.189 -0.000) 2.189 14.870 ( -0.000 -6.782 0.000) 6.782 15.347 ( 0.000 -9.758 0.000) 9.758 15.741 ( 0.000 -4.652 -0.000) 4.652 16.207 ( 0.000 -12.259 -0.000) 12.259 16.304 ( -0.000 -33.194 0.000) 33.194 16.787 ( -0.000 -10.368 -0.000) 10.368 16.787 ( 0.000 -21.067 0.000) 21.067 17.874 ( 0.000 4.207 -0.000) 4.207 18.470 ( 0.000 8.883 -0.000) 8.883 19.030 ( 0.000 7.802 -0.000) 7.802 19.090 ( 0.000 5.583 0.000) 5.583 19.703 ( 0.000 11.926 -0.000) 11.926 20.493 ( 0.000 -1.633 -0.000) 1.633 ======================= Grid point 15 (10/114) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 6.717 0.000) 6.717 1.218 ( 0.000 9.641 0.000) 9.641 1.296 ( 0.000 5.616 0.000) 5.616 1.328 ( 0.000 13.698 0.000) 13.698 1.831 ( 0.000 6.603 0.000) 6.603 1.863 ( 0.000 14.585 0.000) 14.585 2.023 ( 0.000 -6.815 0.000) 6.815 2.139 ( 0.000 5.280 0.000) 5.280 2.258 ( 0.000 -6.201 0.000) 6.201 2.384 ( 0.000 -1.803 0.000) 1.803 2.398 ( 0.000 0.035 0.000) 0.035 2.421 ( 0.000 12.200 0.000) 12.200 2.744 ( 0.000 -3.178 0.000) 3.178 3.128 ( 0.000 6.357 0.000) 6.357 3.201 ( 0.000 -0.190 0.000) 0.190 3.362 ( 0.000 -6.428 0.000) 6.428 3.424 ( 0.000 4.585 0.000) 4.585 3.654 ( 0.000 -5.651 0.000) 5.651 3.769 ( 0.000 3.069 0.000) 3.069 3.775 ( 0.000 18.880 0.000) 18.880 4.508 ( 0.000 9.601 0.000) 9.601 4.736 ( 0.000 0.490 0.000) 0.490 4.766 ( 0.000 -6.362 0.000) 6.362 4.865 ( 0.000 -13.419 0.000) 13.419 4.883 ( 0.000 8.844 0.000) 8.844 5.216 ( 0.000 9.457 0.000) 9.457 5.328 ( 0.000 2.599 0.000) 2.599 5.489 ( 0.000 -1.321 0.000) 1.321 5.983 ( 0.000 -5.896 0.000) 5.896 6.039 ( 0.000 -1.072 0.000) 1.072 6.048 ( 0.000 0.423 0.000) 0.423 6.124 ( 0.000 -9.330 0.000) 9.330 6.238 ( 0.000 -0.926 0.000) 0.926 6.535 ( 0.000 -12.783 0.000) 12.783 6.870 ( 0.000 8.499 0.000) 8.499 7.038 ( 0.000 6.423 0.000) 6.423 7.213 ( 0.000 10.591 0.000) 10.591 7.290 ( 0.000 -2.064 0.000) 2.064 7.650 ( 0.000 -1.624 0.000) 1.624 7.794 ( 0.000 -3.628 0.000) 3.628 8.382 ( 0.000 -0.137 0.000) 0.137 9.006 ( 0.000 -7.212 0.000) 7.212 12.318 ( 0.000 0.165 0.000) 0.165 12.424 ( 0.000 0.810 0.000) 0.810 12.694 ( 0.000 0.478 0.000) 0.478 12.712 ( 0.000 2.257 0.000) 2.257 13.056 ( 0.000 -5.487 0.000) 5.487 13.128 ( 0.000 -4.135 0.000) 4.135 13.385 ( 0.000 7.355 0.000) 7.355 13.933 ( 0.000 0.692 0.000) 0.692 14.033 ( 0.000 0.629 0.000) 0.629 14.126 ( 0.000 -2.799 0.000) 2.799 14.801 ( 0.000 7.336 0.000) 7.336 15.053 ( 0.000 -13.897 0.000) 13.897 15.150 ( 0.000 -1.274 0.000) 1.274 15.412 ( 0.000 -10.632 0.000) 10.632 15.917 ( 0.000 -6.979 0.000) 6.979 15.923 ( 0.000 -24.589 0.000) 24.589 16.353 ( 0.000 -12.122 0.000) 12.122 16.559 ( 0.000 -9.944 0.000) 9.944 17.926 ( 0.000 16.594 0.000) 16.594 18.763 ( 0.000 -1.358 0.000) 1.358 19.063 ( 0.000 2.709 0.000) 2.709 19.167 ( 0.000 1.641 0.000) 1.641 19.941 ( 0.000 10.604 0.000) 10.604 20.438 ( 0.000 -2.869 0.000) 2.869 ======================= Grid point 16 (11/114) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -2.878 10.524 -0.891) 10.947 1.163 ( -5.174 10.767 2.970) 12.309 1.267 ( -1.057 10.959 3.906) 11.682 1.392 ( 4.059 5.470 -4.788) 8.326 1.838 ( 0.002 3.540 4.576) 5.785 1.864 ( 0.350 15.007 -4.857) 15.778 2.025 ( 0.260 -6.230 0.127) 6.236 2.132 ( -0.579 4.048 -0.622) 4.136 2.272 ( 1.271 -4.710 0.558) 4.910 2.377 ( -0.283 -1.064 -0.432) 1.183 2.413 ( 0.242 9.970 3.729) 10.648 2.430 ( 1.303 2.957 -2.914) 4.351 2.743 ( -0.039 -3.108 -0.233) 3.117 3.134 ( 0.593 6.521 0.149) 6.549 3.196 ( -0.491 -0.763 0.493) 1.033 3.329 ( -2.675 -6.205 -0.830) 6.808 3.408 ( -1.120 4.937 -0.336) 5.074 3.684 ( 2.215 -4.860 -0.176) 5.344 3.763 ( -0.219 8.249 2.804) 8.715 3.782 ( 0.257 13.212 -2.070) 13.375 4.510 ( 0.139 9.331 -0.003) 9.332 4.733 ( -0.260 -0.638 -0.210) 0.720 4.777 ( 1.029 -4.568 0.395) 4.699 4.856 ( -0.797 -13.412 2.394) 13.647 4.883 ( -0.022 8.299 -2.538) 8.678 5.189 ( -2.029 9.012 -0.416) 9.247 5.334 ( 0.413 2.574 0.040) 2.607 5.508 ( 1.450 -1.141 -0.034) 1.845 5.984 ( 0.082 -6.887 -1.093) 6.973 6.019 ( -1.143 -0.855 3.529) 3.806 6.065 ( 0.964 1.576 -2.976) 3.503 6.124 ( -0.010 -9.244 -0.040) 9.244 6.234 ( -0.322 -1.163 0.358) 1.259 6.537 ( 0.189 -12.905 0.166) 12.907 6.867 ( -0.226 8.226 -0.277) 8.233 7.046 ( 0.619 6.501 0.646) 6.562 7.210 ( -0.211 10.583 -0.061) 10.586 7.290 ( -0.019 -1.934 -0.127) 1.938 7.647 ( -0.248 -1.502 0.094) 1.525 7.795 ( 0.046 -3.638 -0.009) 3.639 8.369 ( -0.984 1.015 -0.689) 1.572 9.008 ( 0.147 -7.287 0.065) 7.289 12.308 ( -0.776 0.732 0.615) 1.231 12.427 ( 0.212 0.737 0.219) 0.798 12.666 ( -1.044 1.471 5.422) 5.714 12.794 ( 5.689 -1.044 -6.126) 8.425 13.056 ( 0.435 -4.355 -6.593) 7.914 13.116 ( -1.771 -5.547 8.233) 10.084 13.379 ( -0.475 7.172 0.145) 7.189 13.961 ( 2.778 0.734 -6.074) 6.720 14.032 ( -0.413 1.173 5.257) 5.402 14.131 ( 0.493 -3.449 -0.348) 3.501 14.784 ( -1.125 4.128 -5.093) 6.652 14.949 ( -7.690 -5.588 12.201) 15.467 15.191 ( 2.336 -4.722 -3.571) 6.365 15.491 ( 7.165 -12.368 -9.335) 17.072 15.802 ( -7.267 -18.947 7.131) 21.510 15.983 ( 1.654 -10.625 1.051) 10.804 16.372 ( 1.689 -13.640 -2.402) 13.953 16.562 ( 0.261 -10.219 -0.174) 10.224 17.985 ( 5.384 14.288 -1.053) 15.305 18.684 ( -6.867 1.561 4.589) 8.405 19.091 ( 2.132 1.365 -4.449) 5.119 19.170 ( 0.264 1.894 1.358) 2.346 19.940 ( -0.086 10.546 -0.127) 10.547 20.441 ( 0.186 -2.982 -0.029) 2.988 ======================= Grid point 17 (12/114) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 16.581 -0.000) 16.581 1.099 ( 0.000 8.627 0.000) 8.627 1.260 ( 0.000 10.624 -0.000) 10.624 1.433 ( 0.000 4.013 0.000) 4.013 1.837 ( 0.000 0.502 -0.000) 0.502 1.865 ( 0.000 15.617 -0.000) 15.617 2.030 ( 0.000 -5.772 -0.000) 5.772 2.125 ( 0.000 3.057 -0.000) 3.057 2.288 ( 0.000 -3.774 -0.000) 3.774 2.374 ( 0.000 -0.901 0.000) 0.901 2.417 ( 0.000 15.435 -0.000) 15.435 2.443 ( 0.000 -0.929 -0.000) 0.929 2.743 ( 0.000 -3.079 -0.000) 3.079 3.143 ( 0.000 6.976 -0.000) 6.976 3.189 ( 0.000 -1.446 0.000) 1.446 3.297 ( 0.000 -6.025 0.000) 6.025 3.396 ( 0.000 5.154 -0.000) 5.154 3.707 ( 0.000 -2.817 -0.000) 2.817 3.767 ( 0.000 4.017 0.000) 4.017 3.780 ( -0.000 15.691 -0.000) 15.691 4.512 ( 0.000 9.052 0.000) 9.052 4.730 ( 0.000 -1.248 -0.000) 1.248 4.792 ( 0.000 -2.372 -0.000) 2.372 4.847 ( 0.000 -15.867 -0.000) 15.867 4.880 ( 0.000 9.311 0.000) 9.311 5.166 ( 0.000 8.627 -0.000) 8.627 5.338 ( 0.000 2.599 -0.000) 2.599 5.523 ( 0.000 -1.108 -0.000) 1.108 5.984 ( 0.000 -8.279 0.000) 8.279 6.010 ( 0.000 0.017 -0.000) 0.017 6.073 ( 0.000 2.499 -0.000) 2.499 6.124 ( 0.000 -9.166 0.000) 9.166 6.231 ( 0.000 -1.419 0.000) 1.419 6.539 ( 0.000 -13.017 0.000) 13.017 6.864 ( 0.000 7.975 -0.000) 7.975 7.053 ( 0.000 6.542 -0.000) 6.542 7.208 ( 0.000 10.593 -0.000) 10.593 7.290 ( 0.000 -1.807 -0.000) 1.807 7.644 ( 0.000 -1.379 -0.000) 1.379 7.795 ( 0.000 -3.650 -0.000) 3.650 8.357 ( 0.000 2.077 -0.000) 2.077 9.009 ( 0.000 -7.348 -0.000) 7.348 12.300 ( 0.000 1.066 -0.000) 1.066 12.429 ( 0.000 0.750 -0.000) 0.750 12.660 ( 0.000 1.383 -0.000) 1.383 12.857 ( 0.000 -2.972 -0.000) 2.972 13.066 ( 0.000 -0.432 0.000) 0.432 13.087 ( 0.000 -9.681 -0.000) 9.681 13.374 ( 0.000 6.949 -0.000) 6.949 13.995 ( 0.000 0.250 0.000) 0.250 14.025 ( 0.000 2.343 -0.000) 2.343 14.138 ( 0.000 -4.322 0.000) 4.322 14.769 ( 0.000 -2.641 -0.000) 2.641 14.869 ( 0.000 2.942 0.000) 2.942 15.212 ( 0.000 -5.509 0.000) 5.509 15.592 ( 0.000 -11.152 -0.000) 11.152 15.701 ( 0.000 -22.186 0.000) 22.186 15.996 ( 0.000 -7.918 -0.000) 7.918 16.390 ( 0.000 -14.858 -0.000) 14.858 16.565 ( 0.000 -10.472 0.000) 10.472 18.055 ( 0.000 11.390 -0.000) 11.390 18.601 ( 0.000 4.495 -0.000) 4.495 19.110 ( 0.000 0.601 -0.000) 0.601 19.174 ( 0.000 2.161 0.000) 2.161 19.939 ( 0.000 10.487 -0.000) 10.487 20.443 ( 0.000 -3.091 -0.000) 3.091 ======================= Grid point 20 (13/114) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 7.220 0.000) 7.220 1.371 ( 0.000 1.917 0.000) 1.917 1.428 ( 0.000 9.676 0.000) 9.676 1.601 ( 0.000 12.404 0.000) 12.404 1.847 ( 0.000 -8.908 0.000) 8.908 1.916 ( 0.000 -0.029 0.000) 0.029 2.017 ( 0.000 1.371 0.000) 1.371 2.096 ( 0.000 -7.345 0.000) 7.345 2.223 ( 0.000 3.260 0.000) 3.260 2.336 ( 0.000 -2.272 0.000) 2.272 2.538 ( 0.000 12.420 0.000) 12.420 2.619 ( 0.000 4.284 0.000) 4.284 2.686 ( 0.000 -2.252 0.000) 2.252 3.079 ( 0.000 -11.138 0.000) 11.138 3.255 ( 0.000 6.139 0.000) 6.139 3.412 ( 0.000 11.062 0.000) 11.062 3.524 ( 0.000 -6.749 0.000) 6.749 3.643 ( 0.000 15.484 0.000) 15.484 3.794 ( 0.000 -1.750 0.000) 1.750 4.153 ( 0.000 16.945 0.000) 16.945 4.436 ( 0.000 -20.043 0.000) 20.043 4.590 ( 0.000 -2.701 0.000) 2.701 4.751 ( 0.000 0.982 0.000) 0.982 4.775 ( 0.000 0.259 0.000) 0.259 5.078 ( 0.000 9.667 0.000) 9.667 5.365 ( 0.000 4.821 0.000) 4.821 5.388 ( 0.000 1.822 0.000) 1.822 5.420 ( 0.000 -4.469 0.000) 4.469 5.851 ( 0.000 -4.775 0.000) 4.775 5.937 ( 0.000 -7.999 0.000) 7.999 6.075 ( 0.000 1.777 0.000) 1.777 6.076 ( 0.000 2.708 0.000) 2.708 6.214 ( 0.000 -1.470 0.000) 1.470 6.297 ( 0.000 -9.194 0.000) 9.194 7.034 ( 0.000 7.206 0.000) 7.206 7.161 ( 0.000 5.494 0.000) 5.494 7.241 ( 0.000 -2.914 0.000) 2.914 7.330 ( 0.000 0.103 0.000) 0.103 7.644 ( 0.000 1.639 0.000) 1.639 7.733 ( 0.000 -2.365 0.000) 2.365 8.439 ( 0.000 5.937 0.000) 5.937 8.826 ( 0.000 -9.940 0.000) 9.940 12.327 ( 0.000 0.836 0.000) 0.836 12.411 ( 0.000 -2.038 0.000) 2.038 12.712 ( 0.000 1.228 0.000) 1.228 12.754 ( 0.000 1.065 0.000) 1.065 12.947 ( 0.000 -2.816 0.000) 2.816 13.041 ( 0.000 -4.160 0.000) 4.160 13.606 ( 0.000 12.531 0.000) 12.531 13.947 ( 0.000 0.482 0.000) 0.482 14.026 ( 0.000 -1.238 0.000) 1.238 14.046 ( 0.000 -5.200 0.000) 5.200 14.801 ( 0.000 -4.566 0.000) 4.566 14.988 ( 0.000 5.850 0.000) 5.850 15.005 ( 0.000 -11.366 0.000) 11.366 15.248 ( 0.000 -6.669 0.000) 6.669 15.590 ( 0.000 -6.343 0.000) 6.343 15.754 ( 0.000 -8.944 0.000) 8.944 16.225 ( 0.000 -0.917 0.000) 0.917 16.380 ( 0.000 -7.241 0.000) 7.241 18.259 ( 0.000 15.236 0.000) 15.236 18.699 ( 0.000 -5.219 0.000) 5.219 19.097 ( 0.000 1.083 0.000) 1.083 19.162 ( 0.000 -1.629 0.000) 1.629 20.131 ( 0.000 7.782 0.000) 7.782 20.365 ( 0.000 -4.140 0.000) 4.140 ======================= Grid point 21 (14/114) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.666 7.772 -1.700) 7.984 1.373 ( -0.249 4.774 -0.379) 4.796 1.443 ( 1.555 8.437 4.397) 9.641 1.561 ( -3.507 12.043 -1.874) 12.683 1.858 ( 0.850 -8.587 -0.122) 8.630 1.882 ( -2.536 1.193 1.246) 3.067 2.032 ( 1.199 -0.148 -1.145) 1.664 2.101 ( 0.028 -6.857 0.177) 6.859 2.231 ( 0.705 2.264 -0.050) 2.372 2.335 ( -0.098 -2.328 -0.165) 2.336 2.548 ( 0.771 11.768 0.011) 11.793 2.618 ( -0.130 4.064 0.098) 4.068 2.689 ( 0.240 -2.106 -0.165) 2.126 3.068 ( -0.894 -10.776 -0.152) 10.814 3.267 ( 1.067 6.346 0.460) 6.451 3.398 ( -1.142 11.519 -0.630) 11.592 3.542 ( 1.730 -4.747 -0.010) 5.052 3.622 ( -1.915 10.980 -0.373) 11.152 3.810 ( 1.230 0.501 1.152) 1.758 4.151 ( -0.214 16.842 -0.443) 16.849 4.436 ( -0.021 -19.992 0.045) 19.992 4.584 ( -0.440 -2.822 -0.195) 2.862 4.755 ( 0.386 0.880 -0.096) 0.966 4.776 ( -0.028 0.508 0.356) 0.621 5.077 ( -0.051 9.465 -0.147) 9.466 5.323 ( -2.546 2.867 -0.085) 3.835 5.398 ( 0.774 2.905 -0.243) 3.016 5.453 ( 1.872 -2.982 0.147) 3.524 5.848 ( -0.258 -4.684 0.132) 4.693 5.936 ( -0.036 -8.032 0.042) 8.033 6.041 ( -1.373 2.110 0.997) 2.708 6.117 ( 2.108 2.389 -1.887) 3.703 6.205 ( -0.831 -1.784 0.650) 2.073 6.297 ( -0.033 -9.253 0.042) 9.254 7.024 ( -0.738 6.895 -0.121) 6.935 7.173 ( 0.915 5.749 0.513) 5.844 7.238 ( -0.223 -3.236 -0.149) 3.247 7.332 ( 0.211 0.573 -0.022) 0.611 7.642 ( -0.174 1.653 0.004) 1.662 7.733 ( 0.015 -2.398 -0.041) 2.399 8.439 ( 0.019 6.117 -0.136) 6.118 8.827 ( 0.055 -9.973 0.029) 9.973 12.325 ( -0.167 1.057 -0.034) 1.070 12.411 ( 0.011 -2.149 0.164) 2.155 12.707 ( -0.377 2.076 2.901) 3.586 12.775 ( 1.718 -1.035 -1.900) 2.763 12.953 ( 0.703 -2.535 -2.296) 3.491 13.033 ( -0.766 -3.604 1.206) 3.877 13.598 ( -0.663 12.503 0.841) 12.549 13.962 ( 1.599 -0.615 -5.422) 5.686 14.021 ( -0.891 -3.383 4.292) 5.538 14.048 ( 0.211 -3.711 0.342) 3.732 14.782 ( -1.553 -1.326 2.159) 2.972 14.939 ( -2.782 0.499 -0.568) 2.883 15.044 ( 1.937 -6.272 -0.257) 6.569 15.281 ( 3.161 -9.166 -4.395) 10.646 15.540 ( -4.204 -3.596 5.317) 7.673 15.787 ( 2.355 -10.114 -2.161) 10.607 16.227 ( 0.185 -1.200 -0.499) 1.312 16.378 ( -0.152 -7.366 0.328) 7.374 18.282 ( 2.002 13.961 -0.453) 14.111 18.675 ( -2.219 -3.105 1.494) 4.099 19.096 ( -0.014 0.105 -0.972) 0.978 19.169 ( 0.548 -1.702 0.197) 1.799 20.130 ( -0.107 7.820 -0.097) 7.821 20.367 ( 0.090 -4.171 -0.026) 4.172 ======================= Grid point 22 (15/114) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 7.156 -0.000) 7.156 1.366 ( 0.000 9.281 -0.000) 9.281 1.476 ( -0.000 10.166 -0.000) 10.166 1.507 ( 0.000 8.058 0.000) 8.058 1.854 ( 0.000 1.624 -0.000) 1.624 1.868 ( 0.000 -8.001 -0.000) 8.001 2.047 ( 0.000 0.037 -0.000) 0.037 2.097 ( 0.000 -7.125 -0.000) 7.125 2.240 ( 0.000 0.967 -0.000) 0.967 2.333 ( 0.000 -2.343 0.000) 2.343 2.557 ( 0.000 11.112 0.000) 11.112 2.616 ( 0.000 3.884 -0.000) 3.884 2.692 ( 0.000 -1.980 0.000) 1.980 3.058 ( 0.000 -10.403 0.000) 10.403 3.281 ( 0.000 6.444 -0.000) 6.444 3.383 ( 0.000 11.913 0.000) 11.913 3.579 ( 0.000 -6.906 -0.000) 6.906 3.583 ( -0.000 11.589 -0.000) 11.589 3.825 ( 0.000 1.948 -0.000) 1.948 4.148 ( 0.000 16.756 -0.000) 16.756 4.436 ( 0.000 -19.925 -0.000) 19.925 4.579 ( 0.000 -2.946 0.000) 2.946 4.760 ( 0.000 0.664 0.000) 0.664 4.775 ( 0.000 0.850 -0.000) 0.850 5.076 ( 0.000 9.288 -0.000) 9.288 5.297 ( 0.000 2.948 -0.000) 2.948 5.407 ( 0.000 3.382 -0.000) 3.382 5.471 ( 0.000 -2.930 -0.000) 2.930 5.845 ( 0.000 -4.585 -0.000) 4.585 5.936 ( 0.000 -8.064 -0.000) 8.064 6.028 ( 0.000 1.932 -0.000) 1.932 6.140 ( 0.000 3.145 -0.000) 3.145 6.193 ( 0.000 -2.679 -0.000) 2.679 6.296 ( 0.000 -9.314 0.000) 9.314 7.016 ( 0.000 6.662 -0.000) 6.662 7.183 ( 0.000 5.938 -0.000) 5.938 7.235 ( 0.000 -3.533 0.000) 3.533 7.335 ( 0.000 1.004 -0.000) 1.004 7.640 ( 0.000 1.667 -0.000) 1.667 7.733 ( 0.000 -2.432 -0.000) 2.432 8.439 ( 0.000 6.294 -0.000) 6.294 8.828 ( 0.000 -10.005 -0.000) 10.005 12.323 ( 0.000 1.255 -0.000) 1.255 12.411 ( 0.000 -2.250 0.000) 2.250 12.705 ( 0.000 2.441 -0.000) 2.441 12.794 ( 0.000 -2.736 -0.000) 2.736 12.962 ( 0.000 -2.401 -0.000) 2.401 13.023 ( 0.000 -2.793 0.000) 2.793 13.591 ( 0.000 12.476 -0.000) 12.476 13.983 ( -0.000 -1.005 0.000) 1.005 14.007 ( 0.000 -5.596 -0.000) 5.596 14.051 ( 0.000 -2.968 -0.000) 2.968 14.766 ( 0.000 2.151 -0.000) 2.151 14.908 ( 0.000 -0.081 -0.000) 0.081 15.063 ( 0.000 -6.185 0.000) 6.185 15.321 ( 0.000 -13.344 -0.000) 13.344 15.491 ( 0.000 0.383 -0.000) 0.383 15.810 ( 0.000 -10.706 -0.000) 10.706 16.229 ( 0.000 -1.511 -0.000) 1.511 16.377 ( 0.000 -7.495 0.000) 7.495 18.307 ( 0.000 12.439 -0.000) 12.439 18.648 ( 0.000 -0.834 -0.000) 0.834 19.095 ( 0.000 -0.706 -0.000) 0.706 19.175 ( 0.000 -1.856 0.000) 1.856 20.128 ( 0.000 7.858 -0.000) 7.858 20.368 ( 0.000 -4.202 -0.000) 4.202 ======================= Grid point 25 (16/114) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.000 -2.843 0.000) 2.843 1.367 ( 0.000 2.843 0.000) 2.843 1.633 ( 0.000 -10.627 0.000) 10.627 1.633 ( 0.000 10.627 0.000) 10.627 1.827 ( 0.000 -8.922 0.000) 8.922 1.827 ( 0.000 8.922 0.000) 8.922 2.017 ( 0.000 -0.353 0.000) 0.353 2.017 ( 0.000 0.353 0.000) 0.353 2.285 ( 0.000 -2.717 0.000) 2.717 2.285 ( 0.000 2.717 0.000) 2.717 2.655 ( 0.000 -0.875 0.000) 0.875 2.655 ( 0.000 0.875 0.000) 0.875 2.818 ( 0.000 -13.624 0.000) 13.624 2.818 ( 0.000 13.624 0.000) 13.624 3.384 ( 0.000 -6.588 0.000) 6.588 3.384 ( 0.000 6.588 0.000) 6.588 3.667 ( 0.000 -10.667 0.000) 10.667 3.667 ( 0.000 10.667 0.000) 10.667 4.015 ( 0.000 -19.919 0.000) 19.919 4.015 ( 0.000 19.919 0.000) 19.919 4.445 ( 0.000 -10.825 0.000) 10.825 4.445 ( 0.000 10.825 0.000) 10.825 4.773 ( 0.000 -0.905 0.000) 0.905 4.773 ( 0.000 0.905 0.000) 0.905 5.268 ( 0.000 -8.437 0.000) 8.437 5.268 ( 0.000 8.437 0.000) 8.437 5.420 ( 0.000 -0.639 0.000) 0.639 5.420 ( 0.000 0.639 0.000) 0.639 5.822 ( 0.000 -2.355 0.000) 2.355 5.822 ( 0.000 2.355 0.000) 2.355 6.109 ( 0.000 -0.624 0.000) 0.624 6.109 ( 0.000 0.624 0.000) 0.624 6.191 ( 0.000 -0.617 0.000) 0.617 6.191 ( 0.000 0.617 0.000) 0.617 7.160 ( 0.000 -4.956 0.000) 4.956 7.160 ( 0.000 4.956 0.000) 4.956 7.267 ( 0.000 -4.681 0.000) 4.681 7.267 ( 0.000 4.681 0.000) 4.681 7.689 ( 0.000 -2.128 0.000) 2.128 7.689 ( 0.000 2.128 0.000) 2.128 8.613 ( 0.000 -10.165 0.000) 10.165 8.613 ( 0.000 10.165 0.000) 10.165 12.359 ( 0.000 -2.324 0.000) 2.324 12.359 ( 0.000 2.324 0.000) 2.324 12.742 ( 0.000 -1.511 0.000) 1.511 12.742 ( 0.000 1.511 0.000) 1.511 12.962 ( 0.000 -3.135 0.000) 3.135 12.962 ( 0.000 3.135 0.000) 3.135 13.857 ( 0.000 -10.559 0.000) 10.559 13.857 ( 0.000 10.559 0.000) 10.559 13.993 ( 0.000 -1.366 0.000) 1.366 13.993 ( 0.000 1.366 0.000) 1.366 14.810 ( 0.000 -5.637 0.000) 5.637 14.810 ( 0.000 5.637 0.000) 5.637 15.112 ( 0.000 -6.162 0.000) 6.162 15.112 ( 0.000 6.162 0.000) 6.162 15.598 ( 0.000 -5.083 0.000) 5.083 15.598 ( 0.000 5.083 0.000) 5.083 16.264 ( 0.000 -3.974 0.000) 3.974 16.264 ( 0.000 3.974 0.000) 3.974 18.534 ( 0.000 -10.922 0.000) 10.922 18.534 ( 0.000 10.922 0.000) 10.922 19.123 ( 0.000 -1.681 0.000) 1.681 19.123 ( 0.000 1.681 0.000) 1.681 20.267 ( 0.000 -5.542 0.000) 5.542 20.267 ( 0.000 5.542 0.000) 5.542 ======================= Grid point 27 (17/114) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.479 -3.122 -0.104) 3.160 1.372 ( 0.479 3.122 -0.104) 3.160 1.652 ( 1.774 -10.313 0.314) 10.469 1.652 ( 1.774 10.313 0.314) 10.469 1.813 ( -1.322 -9.961 -0.300) 10.053 1.813 ( -1.322 9.961 -0.300) 10.053 2.004 ( -1.087 -2.226 0.359) 2.503 2.004 ( -1.087 2.226 0.359) 2.503 2.285 ( -0.072 -2.611 -0.078) 2.613 2.285 ( -0.072 2.611 -0.078) 2.613 2.656 ( 0.121 -1.161 -0.269) 1.197 2.656 ( 0.121 1.161 -0.269) 1.197 2.817 ( -0.115 -13.163 0.085) 13.163 2.817 ( -0.115 13.163 0.085) 13.163 3.401 ( 1.484 -6.829 0.015) 6.989 3.401 ( 1.484 6.829 0.015) 6.989 3.650 ( -1.448 -9.508 0.083) 9.618 3.650 ( -1.448 9.508 0.083) 9.618 4.022 ( 0.564 -18.991 0.199) 19.000 4.022 ( 0.564 18.991 0.199) 19.000 4.440 ( -0.375 -10.697 -0.370) 10.710 4.440 ( -0.375 10.697 -0.370) 10.710 4.775 ( 0.204 -0.828 0.098) 0.858 4.775 ( 0.204 0.828 0.098) 0.858 5.257 ( -0.873 -7.431 0.173) 7.484 5.257 ( -0.873 7.431 0.173) 7.484 5.435 ( 1.169 -0.690 -0.220) 1.375 5.435 ( 1.169 0.690 -0.220) 1.375 5.821 ( -0.119 -2.408 0.078) 2.413 5.821 ( -0.119 2.408 0.078) 2.413 6.104 ( -0.448 -3.682 -0.043) 3.710 6.104 ( -0.448 3.682 -0.043) 3.710 6.193 ( 0.144 -1.895 -0.065) 1.901 6.193 ( 0.144 1.895 -0.065) 1.901 7.150 ( -0.827 -5.232 0.161) 5.299 7.150 ( -0.827 5.232 0.161) 5.299 7.280 ( 0.962 -4.401 -0.027) 4.505 7.280 ( 0.962 4.401 -0.027) 4.505 7.688 ( -0.080 -2.201 -0.046) 2.203 7.688 ( -0.080 2.201 -0.046) 2.203 8.613 ( 0.055 -10.137 0.001) 10.137 8.613 ( 0.055 10.137 0.001) 10.137 12.359 ( -0.016 -2.319 -0.095) 2.321 12.359 ( -0.016 2.319 -0.095) 2.321 12.745 ( 0.219 -1.698 0.551) 1.799 12.745 ( 0.219 1.698 0.551) 1.799 12.965 ( 0.292 -2.690 -0.543) 2.760 12.965 ( 0.292 2.690 -0.543) 2.760 13.849 ( -0.647 -10.676 0.482) 10.706 13.849 ( -0.647 10.676 0.482) 10.706 13.989 ( -0.318 -1.738 -0.332) 1.798 13.989 ( -0.318 1.738 -0.332) 1.798 14.824 ( 1.297 -5.505 0.085) 5.657 14.824 ( 1.297 5.505 0.085) 5.657 15.104 ( -0.787 -7.103 0.042) 7.146 15.104 ( -0.787 7.103 0.042) 7.146 15.599 ( 0.093 -7.117 -0.275) 7.123 15.599 ( 0.093 7.117 -0.275) 7.123 16.263 ( -0.135 -3.874 0.064) 3.877 16.263 ( -0.135 3.874 0.064) 3.877 18.537 ( 0.242 -10.119 0.131) 10.123 18.537 ( 0.242 10.119 0.131) 10.123 19.121 ( -0.169 -2.297 -0.020) 2.303 19.121 ( -0.169 2.297 -0.020) 2.304 20.267 ( 0.005 -5.615 -0.068) 5.615 20.267 ( 0.005 5.615 -0.068) 5.615 ======================= Grid point 29 (18/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -3.399 -0.000) 3.399 1.378 ( 0.000 3.399 -0.000) 3.399 1.677 ( 0.000 -8.764 -0.000) 8.764 1.677 ( 0.000 8.764 0.000) 8.764 1.794 ( 0.000 -11.594 -0.000) 11.594 1.794 ( 0.000 11.594 -0.000) 11.594 1.991 ( 0.000 -2.171 -0.000) 2.171 1.991 ( 0.000 2.171 -0.000) 2.171 2.284 ( 0.000 -2.528 -0.000) 2.528 2.284 ( 0.000 2.528 0.000) 2.528 2.658 ( 0.000 -1.399 -0.000) 1.399 2.658 ( 0.000 1.399 0.000) 1.399 2.816 ( 0.000 -12.712 -0.000) 12.712 2.816 ( 0.000 12.712 0.000) 12.712 3.420 ( 0.000 -6.997 -0.000) 6.997 3.420 ( 0.000 6.997 -0.000) 6.997 3.632 ( 0.000 -8.036 0.000) 8.036 3.632 ( 0.000 8.036 -0.000) 8.036 4.029 ( 0.000 -18.117 0.000) 18.117 4.029 ( 0.000 18.117 -0.000) 18.117 4.435 ( 0.000 -10.587 -0.000) 10.587 4.435 ( 0.000 10.587 0.000) 10.587 4.778 ( 0.000 -0.748 0.000) 0.748 4.778 ( 0.000 0.748 -0.000) 0.748 5.247 ( 0.000 -6.674 -0.000) 6.674 5.247 ( 0.000 6.674 -0.000) 6.674 5.448 ( 0.000 -0.430 0.000) 0.430 5.448 ( 0.000 0.430 -0.000) 0.430 5.820 ( 0.000 -2.461 -0.000) 2.461 5.820 ( 0.000 2.461 -0.000) 2.461 6.098 ( 0.000 -4.918 -0.000) 4.918 6.098 ( 0.000 4.918 -0.000) 4.918 6.194 ( 0.000 -2.379 -0.000) 2.379 6.194 ( 0.000 2.379 0.000) 2.379 7.141 ( 0.000 -5.437 -0.000) 5.437 7.141 ( 0.000 5.437 -0.000) 5.437 7.290 ( 0.000 -4.182 0.000) 4.182 7.290 ( 0.000 4.182 -0.000) 4.182 7.687 ( 0.000 -2.273 -0.000) 2.273 7.687 ( 0.000 2.273 -0.000) 2.273 8.614 ( 0.000 -10.109 -0.000) 10.109 8.614 ( 0.000 10.109 -0.000) 10.109 12.359 ( 0.000 -2.314 0.000) 2.314 12.359 ( 0.000 2.314 -0.000) 2.314 12.748 ( 0.000 -1.862 0.000) 1.862 12.748 ( 0.000 1.862 0.000) 1.862 12.969 ( 0.000 -2.143 -0.000) 2.143 12.969 ( 0.000 2.143 0.000) 2.143 13.842 ( 0.000 -10.758 -0.000) 10.758 13.842 ( 0.000 10.758 0.000) 10.758 13.985 ( 0.000 -1.937 -0.000) 1.937 13.985 ( 0.000 1.937 -0.000) 1.937 14.841 ( 0.000 -4.570 -0.000) 4.570 14.841 ( 0.000 4.570 0.000) 4.570 15.094 ( 0.000 -7.751 -0.000) 7.751 15.094 ( 0.000 7.751 -0.000) 7.751 15.600 ( 0.000 -8.667 0.000) 8.667 15.600 ( 0.000 8.667 -0.000) 8.667 16.261 ( 0.000 -3.761 -0.000) 3.761 16.261 ( 0.000 3.761 -0.000) 3.761 18.540 ( 0.000 -9.227 -0.000) 9.227 18.540 ( 0.000 9.227 -0.000) 9.227 19.119 ( 0.000 -2.779 0.000) 2.779 19.119 ( 0.000 2.779 -0.000) 2.779 20.267 ( 0.000 -5.687 -0.000) 5.687 20.267 ( 0.000 5.687 -0.000) 5.687 ======================= Grid point 55 (19/114) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -6.739 0.000 18.014) 19.233 0.458 ( -3.961 0.000 21.632) 21.992 0.796 ( 7.300 0.000 39.195) 39.869 1.204 ( -6.343 0.000 1.948) 6.635 1.295 ( 1.676 0.000 7.671) 7.852 1.397 ( 1.051 0.000 12.213) 12.258 1.839 ( 0.706 0.000 -0.722) 1.010 2.223 ( -0.242 0.000 10.799) 10.802 2.367 ( 2.189 0.000 -6.195) 6.570 2.437 ( -1.783 0.000 0.399) 1.827 2.463 ( 0.559 0.000 5.736) 5.764 2.607 ( -1.570 0.000 4.633) 4.892 2.858 ( -0.242 0.000 2.267) 2.280 2.926 ( -0.446 0.000 2.352) 2.394 3.022 ( -0.081 0.000 12.729) 12.729 3.321 ( 0.150 0.000 -5.217) 5.219 3.428 ( -0.027 0.000 2.932) 2.932 3.674 ( -0.701 0.000 -8.613) 8.642 3.744 ( 0.349 0.000 -2.149) 2.177 3.821 ( 0.327 0.000 -6.385) 6.393 4.179 ( -0.736 0.000 9.623) 9.651 4.354 ( 0.003 0.000 9.837) 9.837 4.577 ( -0.531 0.000 3.668) 3.706 4.872 ( -0.115 0.000 -0.966) 0.973 4.920 ( -0.112 0.000 -2.609) 2.611 5.278 ( -0.067 0.000 1.543) 1.545 5.432 ( -3.044 0.000 10.834) 11.253 5.734 ( -7.776 0.000 5.266) 9.391 5.898 ( 0.173 0.000 -2.111) 2.118 5.960 ( 0.491 0.000 -6.103) 6.123 6.305 ( -0.348 0.000 1.451) 1.493 6.339 ( 0.550 0.000 -8.574) 8.591 6.343 ( -3.724 0.000 -7.431) 8.312 6.439 ( -0.503 0.000 1.984) 2.046 6.670 ( -0.210 0.000 5.738) 5.742 6.837 ( 0.023 0.000 9.884) 9.884 7.224 ( -15.815 0.000 6.050) 16.933 7.329 ( -0.040 0.000 -3.519) 3.519 7.472 ( 0.229 0.000 -1.580) 1.596 8.157 ( 0.443 0.000 -9.638) 9.648 8.167 ( -7.791 0.000 0.393) 7.800 9.156 ( 0.111 0.000 -2.498) 2.501 12.311 ( 4.098 0.000 -1.455) 4.348 12.312 ( -0.358 0.000 -1.849) 1.883 12.689 ( 8.646 0.000 -4.644) 9.814 12.696 ( -0.300 0.000 2.727) 2.743 12.949 ( 0.451 0.000 0.108) 0.464 13.509 ( 91.412 0.000 2.081) 91.436 13.612 ( -0.103 0.000 0.417) 0.430 13.854 ( -4.587 0.000 0.363) 4.601 14.129 ( -0.160 0.000 3.424) 3.428 14.176 ( -0.566 0.000 12.470) 12.483 14.708 ( -15.973 0.000 9.070) 18.368 14.809 ( -0.067 0.000 3.130) 3.131 15.915 ( -1.237 0.000 -2.477) 2.769 16.376 ( 2.862 0.000 -2.078) 3.537 16.540 ( 11.792 0.000 -34.127) 36.107 16.649 ( -1.528 0.000 2.020) 2.533 17.012 ( 1.534 0.000 -1.647) 2.251 17.347 ( -11.205 0.000 -21.814) 24.524 17.557 ( -19.123 0.000 8.286) 20.841 18.069 ( -9.756 0.000 10.442) 14.290 18.648 ( 0.174 0.000 -1.622) 1.631 19.103 ( -4.270 0.000 18.852) 19.330 19.346 ( 0.169 0.000 -4.346) 4.349 20.479 ( 0.038 0.000 -0.819) 0.820 ======================= Grid point 56 (20/114) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 16.929 0.000 6.490) 18.131 0.567 ( 12.041 0.000 14.478) 18.831 1.006 ( -13.422 0.000 7.070) 15.170 1.013 ( 10.643 0.000 33.861) 35.495 1.207 ( -10.919 0.000 10.163) 14.917 1.344 ( -8.245 0.000 11.189) 13.899 1.854 ( 0.403 0.000 -0.475) 0.623 2.231 ( 0.379 0.000 8.515) 8.523 2.382 ( -0.808 0.000 -5.425) 5.485 2.444 ( -1.721 0.000 4.677) 4.984 2.447 ( 3.134 0.000 -0.533) 3.179 2.592 ( -0.119 0.000 4.128) 4.130 2.850 ( -0.519 0.000 3.428) 3.467 2.921 ( -0.391 0.000 2.464) 2.495 3.026 ( -0.775 0.000 12.663) 12.687 3.319 ( 0.175 0.000 -5.172) 5.175 3.443 ( 1.125 0.000 2.853) 3.067 3.664 ( 0.724 0.000 -9.715) 9.742 3.745 ( -0.071 0.000 -2.478) 2.479 3.817 ( -0.066 0.000 -5.535) 5.535 4.152 ( -1.935 0.000 9.190) 9.392 4.360 ( -0.410 0.000 9.591) 9.600 4.574 ( 0.024 0.000 3.714) 3.714 4.871 ( 0.148 0.000 -1.258) 1.266 4.907 ( -0.834 0.000 -2.413) 2.553 5.305 ( 1.807 0.000 0.674) 1.929 5.417 ( 0.825 0.000 10.865) 10.897 5.659 ( -0.185 0.000 8.944) 8.946 5.898 ( 0.062 0.000 -2.142) 2.143 5.963 ( 0.337 0.000 -6.011) 6.021 6.299 ( -0.182 0.000 0.210) 0.278 6.303 ( 0.440 0.000 -6.523) 6.537 6.344 ( 0.566 0.000 -7.063) 7.086 6.435 ( -0.166 0.000 2.107) 2.114 6.669 ( -0.426 0.000 5.579) 5.595 6.845 ( -0.336 0.000 8.093) 8.100 7.179 ( 5.153 0.000 13.698) 14.635 7.322 ( -0.252 0.000 -3.482) 3.491 7.481 ( 0.616 0.000 -1.589) 1.705 8.065 ( -2.733 0.000 3.418) 4.376 8.157 ( 0.437 0.000 -9.635) 9.645 9.155 ( 0.078 0.000 -2.508) 2.509 12.276 ( -3.555 0.000 -4.331) 5.603 12.304 ( -0.206 0.000 -1.984) 1.994 12.684 ( -0.908 0.000 3.058) 3.190 12.714 ( -0.049 0.000 -1.174) 1.175 12.961 ( 0.488 0.000 -0.003) 0.488 13.608 ( -0.268 0.000 0.229) 0.353 13.750 ( -7.078 0.000 -3.142) 7.744 14.129 ( -0.142 0.000 3.473) 3.476 14.158 ( -2.973 0.000 13.424) 13.749 14.342 ( -11.330 0.000 7.547) 13.614 14.822 ( 0.826 0.000 3.306) 3.408 15.091 ( 36.364 0.000 -43.147) 56.428 15.903 ( 0.469 0.000 -3.742) 3.771 16.370 ( -3.030 0.000 -0.181) 3.036 16.517 ( -21.335 0.000 0.032) 21.335 16.664 ( 2.391 0.000 1.201) 2.676 16.806 ( 3.580 0.000 -20.619) 20.928 17.180 ( 5.296 0.000 0.880) 5.368 17.510 ( 3.190 0.000 -10.551) 11.023 18.220 ( 12.977 0.000 2.700) 13.255 18.648 ( 0.034 0.000 -1.594) 1.594 19.104 ( 1.539 0.000 19.604) 19.664 19.347 ( 0.249 0.000 -4.350) 4.357 20.479 ( 0.022 0.000 -0.816) 0.817 ======================= Grid point 57 (21/114) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -9.348 0.000 9.875) 13.597 0.848 ( 14.452 0.000 4.599) 15.167 0.862 ( 12.737 0.000 4.535) 13.520 0.954 ( -14.897 0.000 16.475) 22.212 1.094 ( -12.683 0.000 12.175) 17.581 1.248 ( 5.747 0.000 29.889) 30.437 1.849 ( -0.649 0.000 -0.968) 1.166 2.240 ( -0.450 0.000 6.118) 6.134 2.360 ( -0.885 0.000 -3.889) 3.989 2.425 ( -0.633 0.000 3.030) 3.096 2.490 ( 0.684 0.000 -1.063) 1.264 2.612 ( 1.422 0.000 3.606) 3.877 2.852 ( 0.297 0.000 3.497) 3.510 2.917 ( -0.120 0.000 2.512) 2.515 3.019 ( -0.911 0.000 12.624) 12.657 3.319 ( 0.301 0.000 -4.802) 4.812 3.452 ( -0.624 0.000 2.472) 2.550 3.685 ( 1.815 0.000 -9.698) 9.866 3.740 ( -0.073 0.000 -3.296) 3.297 3.813 ( 0.116 0.000 -4.578) 4.579 4.131 ( -0.828 0.000 9.538) 9.574 4.355 ( -0.804 0.000 8.656) 8.693 4.581 ( 0.153 0.000 4.266) 4.269 4.874 ( 0.210 0.000 -1.157) 1.176 4.893 ( -0.071 0.000 -1.763) 1.764 5.334 ( 0.650 0.000 -1.083) 1.263 5.437 ( 0.225 0.000 10.576) 10.578 5.697 ( 2.831 0.000 9.770) 10.172 5.897 ( 0.020 0.000 -2.198) 2.198 5.961 ( 0.063 0.000 -6.145) 6.145 6.300 ( 0.213 0.000 0.263) 0.338 6.322 ( 1.841 0.000 -6.773) 7.019 6.345 ( 0.216 0.000 -7.089) 7.092 6.435 ( -0.024 0.000 2.129) 2.129 6.666 ( -0.302 0.000 5.581) 5.589 6.843 ( -0.453 0.000 6.635) 6.651 7.318 ( 7.552 0.000 13.650) 15.600 7.319 ( 0.325 0.000 -3.323) 3.339 7.485 ( -0.057 0.000 -1.705) 1.706 8.050 ( 0.782 0.000 5.598) 5.653 8.157 ( 0.427 0.000 -9.645) 9.655 9.155 ( 0.115 0.000 -2.507) 2.510 12.200 ( -3.775 0.000 -12.250) 12.819 12.305 ( 0.509 0.000 -1.593) 1.672 12.677 ( -0.003 0.000 3.493) 3.493 12.705 ( -1.584 0.000 -1.265) 2.027 12.961 ( -0.408 0.000 -0.595) 0.721 13.548 ( -15.105 0.000 -5.644) 16.125 13.606 ( 0.080 0.000 0.180) 0.197 14.060 ( -7.675 0.000 9.650) 12.329 14.129 ( -0.153 0.000 3.527) 3.530 14.203 ( -3.562 0.000 9.137) 9.807 14.832 ( -0.234 0.000 3.384) 3.392 15.250 ( -7.649 0.000 4.125) 8.691 15.924 ( 1.689 0.000 -2.996) 3.439 16.308 ( -2.344 0.000 -2.221) 3.229 16.323 ( 0.489 0.000 -28.955) 28.959 16.701 ( 0.806 0.000 2.423) 2.554 16.894 ( 4.914 0.000 -14.911) 15.700 17.272 ( 4.237 0.000 -6.488) 7.749 17.567 ( 3.620 0.000 -5.889) 6.913 18.408 ( 6.349 0.000 -3.143) 7.085 18.647 ( -0.020 0.000 -1.784) 1.784 19.160 ( 2.158 0.000 18.985) 19.107 19.348 ( 0.221 0.000 -4.285) 4.290 20.478 ( 0.036 0.000 -0.818) 0.818 ======================= Grid point 58 (22/114) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -10.029 0.000 18.007) 20.611 0.648 ( -15.588 0.000 16.588) 22.763 0.783 ( -11.997 0.000 28.067) 30.524 1.142 ( 12.700 0.000 7.212) 14.605 1.160 ( 10.713 0.000 -3.891) 11.398 1.353 ( 1.837 0.000 23.484) 23.556 1.838 ( -0.308 0.000 -1.238) 1.276 2.226 ( -1.208 0.000 8.221) 8.309 2.349 ( 0.251 0.000 -4.348) 4.355 2.430 ( 1.040 0.000 3.978) 4.111 2.475 ( -1.817 0.000 -0.470) 1.876 2.627 ( -0.473 0.000 4.175) 4.201 2.859 ( 0.008 0.000 2.082) 2.082 2.923 ( 0.447 0.000 2.772) 2.808 3.016 ( -0.492 0.000 12.544) 12.553 3.321 ( 0.279 0.000 -4.849) 4.857 3.434 ( -1.005 0.000 2.526) 2.718 3.694 ( -0.175 0.000 -8.645) 8.647 3.739 ( 0.286 0.000 -2.966) 2.980 3.816 ( 0.612 0.000 -5.424) 5.458 4.149 ( 1.656 0.000 10.401) 10.532 4.350 ( -0.458 0.000 8.903) 8.915 4.583 ( -0.361 0.000 4.211) 4.226 4.875 ( -0.051 0.000 -0.867) 0.868 4.905 ( 1.315 0.000 -1.832) 2.255 5.313 ( -2.444 0.000 -0.283) 2.461 5.450 ( -0.011 0.000 9.350) 9.350 5.765 ( 2.835 0.000 8.297) 8.768 5.896 ( 0.134 0.000 -2.160) 2.164 5.958 ( 0.215 0.000 -6.246) 6.250 6.305 ( 0.164 0.000 1.461) 1.471 6.341 ( 0.081 0.000 -8.557) 8.557 6.356 ( 2.118 0.000 -6.390) 6.732 6.438 ( 0.224 0.000 2.117) 2.129 6.668 ( -0.084 0.000 5.742) 5.743 6.839 ( -0.593 0.000 6.702) 6.729 7.326 ( 0.584 0.000 -3.341) 3.392 7.438 ( 1.006 0.000 1.996) 2.235 7.477 ( -0.490 0.000 -1.714) 1.782 8.132 ( 8.000 0.000 10.537) 13.230 8.157 ( 0.434 0.000 -9.648) 9.658 9.155 ( 0.148 0.000 -2.498) 2.502 12.119 ( -1.517 0.000 -15.665) 15.738 12.314 ( 0.365 0.000 -1.450) 1.495 12.626 ( -6.490 0.000 -1.553) 6.673 12.688 ( 0.647 0.000 3.208) 3.272 12.950 ( -0.485 0.000 -0.539) 0.725 13.191 ( -18.816 0.000 6.371) 19.865 13.610 ( 0.237 0.000 0.370) 0.439 13.942 ( -5.385 0.000 4.046) 6.735 14.129 ( -0.172 0.000 3.479) 3.483 14.176 ( -0.830 0.000 11.000) 11.031 14.820 ( -1.112 0.000 3.202) 3.390 15.017 ( -16.054 0.000 11.559) 19.782 15.937 ( -0.442 0.000 -1.459) 1.524 16.309 ( 2.930 0.000 -4.166) 5.094 16.382 ( 7.701 0.000 -36.033) 36.847 16.690 ( -2.084 0.000 3.023) 3.672 16.960 ( 3.298 0.000 -6.144) 6.974 17.337 ( 3.873 0.000 -13.174) 13.732 17.634 ( 3.525 0.000 1.356) 3.777 18.416 ( -7.693 0.000 -9.670) 12.357 18.646 ( 0.120 0.000 -1.811) 1.815 19.185 ( -2.481 0.000 15.413) 15.611 19.347 ( 0.141 0.000 -4.281) 4.283 20.479 ( 0.052 0.000 -0.821) 0.822 ======================= Grid point 59 (23/114) ======================= q-point: ( 0.00 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 8.518 17.563 5.580) 20.302 0.657 ( -5.117 14.872 15.922) 22.380 0.997 ( 1.685 13.369 21.054) 24.997 1.152 ( -0.399 -1.382 -1.214) 1.882 1.285 ( -4.096 -3.098 2.857) 5.877 1.580 ( -0.231 16.879 21.044) 26.978 1.897 ( 0.749 5.153 -0.086) 5.208 2.187 ( -0.511 -2.194 9.032) 9.308 2.357 ( 0.490 -5.986 3.836) 7.126 2.399 ( 1.308 1.650 -4.137) 4.641 2.484 ( -0.882 -0.215 -1.706) 1.932 2.553 ( -0.103 -4.123 4.418) 6.044 2.898 ( 0.057 1.531 1.909) 2.448 2.919 ( 0.100 -0.155 2.998) 3.004 3.136 ( -0.635 10.698 10.946) 15.319 3.326 ( 0.080 0.170 -1.744) 1.754 3.429 ( -0.351 0.068 2.133) 2.163 3.616 ( -0.240 -2.313 -4.282) 4.873 3.805 ( 0.931 -1.334 -5.184) 5.433 3.858 ( -1.651 -0.969 -0.923) 2.125 3.958 ( 0.547 -2.798 3.959) 4.878 4.580 ( 0.432 8.585 4.395) 9.654 4.614 ( -0.637 5.644 3.399) 6.619 4.865 ( -0.034 -0.882 -0.796) 1.189 4.924 ( -0.561 1.266 -1.155) 1.803 5.261 ( -0.001 -2.478 0.069) 2.479 5.402 ( -1.542 -1.514 10.642) 10.859 5.635 ( -1.985 -3.830 9.738) 10.651 5.959 ( 0.360 -0.034 -5.724) 5.735 6.029 ( -1.134 2.832 -4.576) 5.500 6.247 ( -0.277 -3.386 -7.536) 8.267 6.291 ( 0.387 -0.673 0.236) 0.811 6.366 ( -0.531 -1.934 -6.259) 6.572 6.534 ( -0.377 6.960 1.158) 7.066 6.682 ( 0.073 1.200 2.543) 2.813 6.852 ( 0.164 0.894 3.816) 3.923 7.134 ( -4.263 -3.094 12.871) 13.907 7.322 ( 0.099 -0.791 -3.379) 3.472 7.590 ( -1.710 4.746 -4.881) 7.020 8.041 ( -0.575 -5.261 3.609) 6.406 8.281 ( -4.631 3.217 -13.600) 14.723 9.149 ( 0.064 -0.851 -2.101) 2.268 12.279 ( 7.158 -0.929 -2.975) 7.807 12.337 ( 0.039 1.538 -1.126) 1.906 12.542 ( 4.198 -3.081 -0.621) 5.244 12.857 ( -7.565 4.103 -0.548) 8.624 12.964 ( 0.109 1.582 -0.343) 1.622 13.357 ( 41.186 -6.991 9.075) 42.749 13.575 ( -1.222 -5.078 4.737) 7.051 13.844 ( -4.386 -0.721 -1.230) 4.612 14.138 ( -0.269 -0.758 6.458) 6.508 14.163 ( 1.961 0.748 5.136) 5.548 14.695 ( -17.354 1.870 16.923) 24.312 14.877 ( 6.040 3.020 -8.012) 10.478 15.763 ( 5.141 -17.398 -6.233) 19.183 15.832 ( -11.979 -11.792 19.892) 26.043 16.419 ( 1.900 -11.322 -10.194) 15.353 16.652 ( 3.127 -4.684 -16.958) 17.868 16.950 ( 5.622 -8.331 0.371) 10.057 17.147 ( -11.147 -14.528 -11.863) 21.819 17.669 ( 9.716 -7.202 9.767) 15.546 18.383 ( -4.165 20.571 -13.812) 25.125 18.751 ( -3.474 7.700 -2.718) 8.874 19.125 ( -3.480 2.092 12.848) 13.475 19.464 ( 0.293 9.580 -1.306) 9.673 20.482 ( -0.307 0.004 -0.944) 0.993 ======================= Grid point 60 (24/114) ======================= q-point: ( 0.25 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 1.747 10.921 9.748) 14.743 0.754 ( 14.366 15.887 4.313) 21.849 1.036 ( -8.340 3.159 2.970) 9.400 1.078 ( -7.979 -1.322 7.259) 10.867 1.167 ( 0.864 4.813 16.444) 17.156 1.583 ( -2.210 18.651 20.467) 27.778 1.913 ( 0.572 5.042 0.079) 5.075 2.188 ( -0.106 -2.961 6.729) 7.353 2.352 ( -0.802 -4.602 4.650) 6.591 2.422 ( 0.708 -0.228 -5.046) 5.101 2.463 ( -0.529 -0.917 -1.544) 1.872 2.546 ( -0.938 -2.581 4.762) 5.497 2.899 ( -0.386 2.612 3.520) 4.400 2.923 ( 0.142 -0.296 2.184) 2.209 3.138 ( -0.242 10.498 10.933) 15.159 3.324 ( 0.171 0.609 -2.172) 2.262 3.425 ( -0.050 -1.222 2.832) 3.085 3.604 ( -0.434 -2.455 -4.579) 5.214 3.773 ( -2.355 -4.506 -1.698) 5.360 3.870 ( 1.857 1.164 -2.485) 3.313 3.964 ( -0.221 -0.989 1.966) 2.212 4.582 ( -0.418 10.344 6.582) 12.267 4.600 ( -0.848 3.967 2.166) 4.599 4.865 ( 0.141 -0.823 -1.125) 1.400 4.906 ( -0.742 0.823 -1.168) 1.610 5.276 ( 1.288 -3.243 -0.338) 3.506 5.409 ( 0.881 -0.700 9.744) 9.808 5.626 ( 0.172 -2.295 9.952) 10.214 5.962 ( 0.374 -0.060 -5.667) 5.679 5.995 ( -1.149 4.223 -3.484) 5.594 6.233 ( -0.237 -3.202 -5.324) 6.218 6.301 ( 0.493 -0.722 -1.634) 1.853 6.349 ( -0.314 -1.378 -6.341) 6.497 6.526 ( -0.298 7.164 1.409) 7.308 6.680 ( -0.462 1.377 2.880) 3.225 6.854 ( -0.234 0.577 2.429) 2.507 7.147 ( 3.295 -1.836 15.787) 16.231 7.317 ( -0.225 -0.646 -3.390) 3.459 7.558 ( -0.809 5.336 -2.566) 5.976 8.020 ( -1.453 -3.770 3.511) 5.353 8.196 ( -1.609 2.957 -10.281) 10.819 9.151 ( 0.205 -0.709 -2.157) 2.280 12.276 ( -3.798 0.123 -3.185) 4.958 12.324 ( -0.085 1.830 -2.033) 2.737 12.665 ( 5.049 -0.654 -0.798) 5.153 12.754 ( -3.393 1.955 0.704) 3.979 12.971 ( 0.541 1.120 -0.150) 1.253 13.523 ( -3.155 -6.587 2.954) 7.879 13.756 ( -4.940 -0.651 -4.498) 6.713 14.068 ( 10.077 -17.875 8.001) 22.025 14.130 ( -1.397 -1.032 8.332) 8.511 14.324 ( 7.090 -18.715 9.054) 21.966 14.436 ( 2.750 3.211 -3.945) 5.782 15.061 ( 15.521 -0.997 -18.917) 24.490 15.581 ( -14.696 -12.495 26.778) 33.002 15.849 ( 4.231 -8.959 -4.532) 10.895 16.480 ( 4.304 -15.530 -8.499) 18.219 16.674 ( 0.115 -3.547 -15.743) 16.138 16.912 ( -7.270 -6.037 -8.589) 12.770 17.124 ( 7.396 -15.052 5.213) 17.562 17.859 ( 6.198 -4.896 -6.852) 10.456 18.209 ( -7.982 27.429 -4.529) 28.923 18.723 ( 0.925 3.596 -1.862) 4.153 19.119 ( 1.120 2.570 12.956) 13.256 19.470 ( 0.319 9.601 -0.814) 9.641 20.483 ( 0.420 0.117 -1.177) 1.255 ======================= Grid point 61 (25/114) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -1.256 -1.829 1.652) 2.766 0.817 ( -10.067 0.209 9.558) 13.884 0.882 ( -2.607 5.185 5.990) 8.341 1.048 ( 12.402 10.434 1.191) 16.251 1.230 ( -1.874 8.064 15.091) 17.213 1.551 ( -1.558 22.870 25.108) 33.999 1.912 ( -0.643 5.479 -0.261) 5.523 2.192 ( -0.066 -3.729 4.874) 6.137 2.342 ( -0.714 -3.999 5.292) 6.671 2.400 ( -1.460 0.013 -5.887) 6.065 2.478 ( 1.298 -2.635 -0.663) 3.011 2.539 ( 0.037 -4.059 3.789) 5.553 2.895 ( -0.202 3.426 3.569) 4.952 2.925 ( -0.286 -0.779 2.177) 2.330 3.142 ( -0.404 11.102 11.338) 15.874 3.328 ( 0.243 0.657 -3.055) 3.134 3.427 ( -0.220 -1.788 3.976) 4.365 3.602 ( 0.762 -3.861 -4.541) 6.010 3.747 ( -0.041 -4.816 -1.320) 4.994 3.898 ( 1.060 2.734 -3.008) 4.200 3.956 ( -0.737 -1.136 1.925) 2.354 4.567 ( -1.294 11.009 5.576) 12.408 4.604 ( 0.624 2.938 3.352) 4.501 4.866 ( 0.094 -0.884 -1.350) 1.616 4.902 ( 0.365 1.480 -0.207) 1.538 5.296 ( 0.473 -4.030 -1.742) 4.416 5.425 ( -0.161 -1.083 9.974) 10.034 5.648 ( 0.857 -2.861 10.051) 10.485 5.962 ( 0.154 0.159 -5.668) 5.672 5.991 ( 0.948 4.483 -2.316) 5.134 6.232 ( 0.579 -3.345 -4.999) 6.043 6.303 ( -0.161 -1.614 -1.874) 2.478 6.348 ( 0.745 -1.450 -5.515) 5.751 6.526 ( 0.171 7.148 1.501) 7.306 6.674 ( -0.339 1.167 3.207) 3.430 6.851 ( -0.245 0.510 1.878) 1.962 7.223 ( 2.251 -5.701 14.040) 15.320 7.314 ( 0.219 -0.639 -3.263) 3.333 7.562 ( 1.409 4.790 -1.403) 5.186 8.010 ( 0.163 -3.470 4.565) 5.736 8.196 ( 2.257 2.981 -8.291) 9.095 9.152 ( 0.148 -0.616 -2.139) 2.231 12.193 ( -4.005 0.164 -9.236) 10.069 12.326 ( 0.403 1.878 -1.481) 2.425 12.690 ( -2.472 -1.269 -0.229) 2.789 12.754 ( 3.429 5.647 0.118) 6.608 12.975 ( -0.128 1.256 -0.714) 1.451 13.424 ( -9.333 -7.386 0.953) 11.940 13.654 ( -4.553 0.169 -3.407) 5.689 14.066 ( -6.745 -0.945 10.545) 12.554 14.128 ( 0.063 -4.666 9.830) 10.882 14.180 ( -5.344 0.772 6.301) 8.297 14.687 ( 8.908 -11.589 -6.129) 15.850 15.226 ( -7.096 -2.289 2.888) 7.996 15.461 ( 7.741 -24.024 -6.077) 25.962 15.924 ( 3.787 -6.752 -0.201) 7.745 16.512 ( -1.803 -13.430 3.156) 13.913 16.635 ( -1.408 -8.042 -18.296) 20.035 16.839 ( 0.260 -6.905 -11.795) 13.670 17.262 ( 6.093 -10.794 7.901) 14.699 17.757 ( -11.264 14.131 -15.716) 23.949 18.246 ( 7.446 -1.242 2.920) 8.094 18.754 ( 2.179 6.189 -3.047) 7.234 19.162 ( 1.803 1.900 12.181) 12.459 19.472 ( -0.094 9.718 -0.084) 9.718 20.491 ( 0.367 0.418 -1.363) 1.472 ======================= Grid point 62 (26/114) ======================= q-point: (-0.25 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -8.956 3.645 6.675) 11.750 0.710 ( -3.580 10.717 16.241) 19.785 1.009 ( 6.127 -0.044 0.335) 6.137 1.113 ( -5.083 12.755 13.113) 18.986 1.254 ( 6.434 3.594 4.052) 8.410 1.569 ( -0.015 18.949 22.971) 29.778 1.896 ( -0.646 5.301 -0.380) 5.354 2.191 ( -0.577 -2.786 7.263) 7.801 2.338 ( 0.195 -5.986 5.087) 7.858 2.385 ( 0.471 2.443 -5.267) 5.825 2.492 ( 0.198 -1.162 -1.002) 1.547 2.549 ( 0.288 -5.794 3.218) 6.633 2.897 ( 0.075 3.435 1.581) 3.782 2.918 ( -0.460 -1.664 3.314) 3.736 3.140 ( -0.732 11.191 11.378) 15.976 3.326 ( -0.079 0.190 -1.986) 1.997 3.427 ( 0.075 -0.316 2.951) 2.969 3.616 ( 0.714 -3.396 -4.299) 5.525 3.769 ( 2.258 -3.603 -2.942) 5.171 3.895 ( -1.116 2.786 -3.352) 4.499 3.948 ( -0.137 -3.169 4.271) 5.320 4.562 ( 0.444 9.796 4.906) 10.965 4.616 ( 0.170 4.243 3.521) 5.516 4.867 ( -0.010 -0.928 -0.962) 1.337 4.917 ( 1.029 1.843 -0.104) 2.114 5.282 ( -1.580 -3.529 -1.282) 4.074 5.423 ( -1.049 -1.797 10.042) 10.256 5.659 ( -0.828 -4.491 9.677) 10.700 5.959 ( 0.141 0.171 -5.723) 5.727 6.021 ( 1.914 3.775 -2.679) 5.009 6.244 ( 0.981 -3.183 -6.179) 7.020 6.295 ( -0.501 -1.896 -0.846) 2.136 6.364 ( 1.128 -1.956 -5.051) 5.533 6.532 ( 0.238 7.076 1.495) 7.236 6.675 ( 0.195 1.046 3.159) 3.333 6.849 ( -0.150 0.671 2.593) 2.683 7.223 ( -3.718 -8.315 10.364) 13.798 7.319 ( 0.505 -0.757 -3.279) 3.403 7.597 ( 1.654 3.512 -3.329) 5.114 8.030 ( 1.116 -4.857 5.142) 7.160 8.270 ( 5.632 3.770 -8.252) 10.679 9.152 ( -0.021 -0.759 -2.144) 2.274 12.137 ( 0.986 2.053 -11.257) 11.485 12.333 ( 0.366 1.667 -1.275) 2.130 12.605 ( -6.254 -1.558 -1.387) 6.593 12.854 ( 8.066 10.110 -2.468) 13.166 12.967 ( -0.620 1.311 -0.143) 1.458 13.167 ( -14.872 -1.818 7.738) 16.863 13.602 ( -1.610 -2.092 1.360) 2.969 13.938 ( -6.243 -0.602 5.007) 8.026 14.132 ( -0.217 -3.598 11.124) 11.693 14.147 ( -0.201 1.583 1.739) 2.360 14.794 ( 4.248 -1.942 -4.250) 6.315 14.994 ( -15.337 -1.650 14.780) 21.363 15.638 ( 9.094 -22.611 -15.560) 28.914 15.958 ( -1.957 -9.711 9.078) 13.436 16.445 ( -3.666 -9.563 -1.494) 10.350 16.619 ( 1.258 -9.104 -16.331) 18.739 16.868 ( 3.244 -9.096 -7.686) 12.342 17.324 ( -2.648 -9.864 -5.697) 11.695 17.575 ( -3.459 2.055 2.773) 4.886 18.369 ( 4.886 2.297 -5.123) 7.443 18.784 ( 0.709 8.728 -3.680) 9.498 19.182 ( -1.619 0.942 10.976) 11.135 19.466 ( -0.399 9.744 -0.497) 9.765 20.491 ( -0.263 0.269 -1.274) 1.328 ======================= Grid point 63 (27/114) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 10.165 18.814 -0.357) 21.387 0.978 ( -0.716 13.990 6.095) 15.277 1.136 ( 2.965 -0.527 -3.356) 4.509 1.235 ( -4.577 8.494 5.580) 11.146 1.315 ( -6.367 10.052 0.255) 11.901 1.935 ( -0.421 12.073 17.266) 21.073 2.045 ( -0.971 8.739 4.609) 9.928 2.190 ( 0.315 5.536 5.605) 7.884 2.221 ( 0.422 -6.642 5.526) 8.650 2.402 ( 0.262 -1.967 -2.937) 3.545 2.449 ( 0.613 -2.892 -2.702) 4.004 2.463 ( 0.505 -3.356 4.501) 5.637 2.846 ( -0.374 -4.095 3.991) 5.731 2.992 ( 0.121 5.096 -0.123) 5.099 3.254 ( 0.150 -1.839 0.869) 2.039 3.426 ( -0.791 2.302 6.020) 6.493 3.476 ( -0.723 11.019 7.078) 13.116 3.558 ( 0.133 -2.777 0.629) 2.850 3.712 ( -1.564 -2.528 3.595) 4.665 3.762 ( 1.415 -2.398 -1.701) 3.262 4.164 ( 0.573 13.387 -8.768) 16.013 4.662 ( 0.274 3.626 -2.364) 4.337 4.748 ( 0.246 3.043 1.576) 3.436 4.833 ( -0.187 -1.944 -0.608) 2.046 5.018 ( -1.402 6.850 1.123) 7.081 5.146 ( 0.344 -7.997 0.048) 8.005 5.385 ( -0.438 -0.099 8.774) 8.785 5.586 ( -0.809 -1.628 8.434) 8.628 5.964 ( 0.131 0.785 -3.866) 3.947 6.003 ( -0.063 -3.802 -4.182) 5.652 6.186 ( -0.485 -3.201 -1.724) 3.668 6.265 ( 0.215 -3.838 -1.223) 4.034 6.289 ( 0.011 -3.364 0.226) 3.372 6.643 ( 0.608 -5.495 -6.563) 8.581 6.697 ( -0.440 6.556 -0.197) 6.574 6.899 ( 0.573 5.248 -0.624) 5.316 7.159 ( -0.754 5.483 14.130) 15.175 7.297 ( 0.082 -1.600 -3.261) 3.633 7.645 ( -0.094 1.199 -2.154) 2.467 7.932 ( -0.202 -5.277 3.905) 6.568 8.307 ( -2.082 0.228 -9.857) 10.077 9.110 ( 0.115 -3.157 -1.081) 3.339 12.284 ( 4.874 0.996 -3.129) 5.877 12.377 ( -0.197 2.250 -1.274) 2.593 12.525 ( 2.143 0.727 -2.717) 3.536 12.883 ( -7.405 -0.380 4.729) 8.795 13.007 ( -0.296 1.360 -3.587) 3.848 13.265 ( 13.591 -2.604 6.763) 15.403 13.442 ( -2.747 -6.697 5.081) 8.844 13.837 ( -4.070 0.382 -3.746) 5.545 14.124 ( 1.500 -0.601 6.284) 6.488 14.166 ( 0.845 -1.006 0.897) 1.590 14.769 ( -10.604 4.133 9.651) 14.922 14.919 ( 7.344 1.279 -7.720) 10.732 15.401 ( 7.457 -16.593 -9.326) 20.443 15.711 ( -9.998 -4.190 14.125) 17.805 16.165 ( -2.686 -11.528 1.081) 11.886 16.350 ( 10.048 -22.346 -13.896) 28.167 16.621 ( -0.311 -18.107 -1.385) 18.162 16.899 ( -6.479 -11.698 4.745) 14.190 17.688 ( 1.366 9.349 7.939) 12.341 18.630 ( 8.596 5.418 -10.310) 14.475 18.923 ( -6.446 7.854 -4.301) 11.033 19.173 ( -1.547 2.144 6.657) 7.163 19.690 ( -0.027 11.559 -0.777) 11.586 20.469 ( -0.139 -1.424 -1.289) 1.925 ======================= Grid point 64 (28/114) ======================= q-point: ( 0.25 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -7.182 14.041 6.488) 17.054 1.028 ( -8.232 3.045 -0.667) 8.803 1.069 ( 1.866 8.386 0.774) 8.626 1.234 ( 1.465 17.707 -8.025) 19.495 1.309 ( 6.148 6.683 10.481) 13.867 1.963 ( 1.232 12.312 17.936) 21.790 2.035 ( -0.242 5.818 1.786) 6.091 2.187 ( -1.126 7.035 5.560) 9.037 2.228 ( -0.153 -6.768 6.249) 9.213 2.402 ( -0.196 -1.721 -1.138) 2.073 2.427 ( -1.601 -1.475 -1.374) 2.574 2.482 ( 0.012 -3.864 1.734) 4.235 2.852 ( 0.478 -4.260 4.693) 6.356 2.997 ( 0.292 4.802 -0.475) 4.834 3.257 ( 0.095 -1.590 0.152) 1.600 3.410 ( -0.989 0.883 5.698) 5.851 3.462 ( -1.281 7.919 6.615) 10.398 3.540 ( -1.685 0.670 4.400) 4.760 3.688 ( -0.609 0.008 0.421) 0.741 3.799 ( 1.642 -3.145 -0.545) 3.590 4.171 ( 0.815 13.136 -8.956) 15.920 4.667 ( 0.504 4.411 -1.732) 4.766 4.742 ( -0.980 2.943 1.768) 3.570 4.833 ( 0.211 -2.187 -0.999) 2.414 4.992 ( -0.884 6.895 1.391) 7.089 5.149 ( 0.103 -8.598 -0.380) 8.607 5.394 ( 0.300 -0.375 8.612) 8.626 5.593 ( 0.619 -1.202 8.194) 8.304 5.965 ( 0.274 0.156 -3.980) 3.992 6.000 ( 0.179 -2.200 -3.606) 4.228 6.175 ( -0.377 -3.062 -1.099) 3.275 6.267 ( 0.158 -5.306 -1.736) 5.586 6.282 ( -0.588 -2.016 -0.183) 2.108 6.649 ( 0.548 -6.513 -7.358) 9.842 6.689 ( -0.258 7.736 0.216) 7.743 6.903 ( -0.074 5.628 -1.140) 5.743 7.171 ( 0.438 4.817 15.258) 16.006 7.294 ( -0.067 -1.539 -3.219) 3.568 7.637 ( -0.425 2.042 -1.702) 2.692 7.928 ( -0.540 -4.907 3.638) 6.133 8.253 ( -1.557 2.415 -8.653) 9.117 9.113 ( 0.238 -3.153 -1.129) 3.357 12.285 ( -3.081 0.680 -1.735) 3.601 12.372 ( 0.191 2.679 -1.885) 3.281 12.662 ( 8.442 0.262 -2.934) 8.941 12.770 ( -3.957 -0.106 1.134) 4.117 13.005 ( 0.180 1.416 -0.885) 1.679 13.387 ( -3.730 -5.359 4.697) 8.043 13.519 ( 8.052 -17.218 8.643) 20.880 13.803 ( 2.919 -0.154 -7.857) 8.383 14.127 ( -1.145 0.051 5.123) 5.250 14.206 ( 2.123 -2.685 3.123) 4.634 14.590 ( -7.176 8.212 3.208) 11.368 15.051 ( 7.512 -0.257 -10.916) 13.253 15.434 ( -10.624 -8.668 17.379) 22.137 15.611 ( 5.710 -12.618 -8.847) 16.434 16.141 ( -0.321 -13.157 0.158) 13.162 16.493 ( 3.794 -13.549 -13.251) 19.327 16.558 ( -4.798 -23.797 4.244) 24.644 16.866 ( 3.236 -10.202 4.322) 11.543 17.785 ( 6.921 4.494 5.231) 9.771 18.699 ( -14.874 12.387 -2.544) 19.523 18.770 ( 6.889 4.491 -9.210) 12.347 19.188 ( 1.704 3.070 5.862) 6.833 19.692 ( 0.263 11.331 -0.514) 11.345 20.471 ( 0.445 -1.421 -1.451) 2.079 ======================= Grid point 65 (29/114) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -6.188 9.024 -0.015) 10.942 0.929 ( -0.202 9.088 1.381) 9.194 1.035 ( -3.106 8.301 0.775) 8.896 1.321 ( 5.253 15.662 -4.076) 17.014 1.400 ( 1.630 7.541 9.907) 12.556 1.986 ( -1.006 10.983 17.573) 20.747 2.041 ( 0.715 7.375 1.990) 7.672 2.170 ( -0.792 7.039 4.973) 8.655 2.220 ( -1.262 -6.733 5.843) 9.004 2.395 ( -0.081 -1.363 -2.261) 2.641 2.415 ( 0.607 -0.981 0.283) 1.188 2.464 ( -1.563 -3.972 0.757) 4.335 2.862 ( -0.083 -4.225 4.779) 6.379 2.999 ( -0.100 5.275 -0.498) 5.299 3.257 ( -0.082 -2.642 -0.588) 2.708 3.410 ( 0.258 0.736 6.440) 6.487 3.453 ( 0.267 4.518 6.501) 7.921 3.522 ( -0.553 4.396 5.848) 7.337 3.686 ( 0.311 1.033 -0.352) 1.135 3.812 ( -0.294 -3.930 -0.424) 3.963 4.174 ( 0.249 12.984 -9.295) 15.970 4.673 ( -0.033 4.870 -1.580) 5.120 4.725 ( -0.424 2.915 1.938) 3.526 4.837 ( 0.276 -1.942 -1.039) 2.219 4.995 ( 0.984 7.352 2.519) 7.834 5.148 ( -0.191 -10.028 -1.226) 10.105 5.402 ( -0.340 -0.701 8.767) 8.801 5.609 ( 0.049 -1.439 7.754) 7.886 5.966 ( 0.224 -0.337 -4.149) 4.168 6.003 ( 0.390 -1.619 -2.976) 3.411 6.175 ( 0.553 -2.923 -1.137) 3.184 6.268 ( -0.078 -4.920 -2.017) 5.318 6.273 ( -0.045 -2.345 0.585) 2.417 6.648 ( -0.036 -6.224 -6.470) 8.977 6.691 ( 0.488 7.911 -0.290) 7.931 6.896 ( -0.451 5.434 -1.421) 5.635 7.186 ( -0.526 3.012 14.113) 14.441 7.292 ( 0.203 -1.380 -3.102) 3.402 7.634 ( 0.281 1.947 -1.455) 2.447 7.924 ( -0.121 -4.626 3.865) 6.029 8.255 ( 2.319 2.582 -6.534) 7.399 9.115 ( 0.014 -3.213 -1.160) 3.416 12.220 ( -2.864 2.131 -5.414) 6.485 12.375 ( 0.173 2.650 -1.254) 2.937 12.666 ( -4.104 -0.729 0.883) 4.261 12.841 ( 7.582 1.904 -4.378) 8.960 13.004 ( -0.377 0.883 -0.273) 0.999 13.296 ( -6.855 -3.951 4.586) 9.145 13.538 ( -3.017 -11.845 5.877) 13.562 13.906 ( 4.803 -6.018 -2.199) 8.008 14.096 ( -2.514 0.890 6.988) 7.480 14.206 ( -2.273 -0.624 2.809) 3.667 14.582 ( 6.700 1.427 -9.086) 11.379 15.157 ( -0.500 -3.704 -3.823) 5.347 15.219 ( -6.451 -5.154 11.398) 14.075 15.751 ( 7.458 -11.933 -5.880) 15.251 16.142 ( 0.530 -16.593 -0.322) 16.605 16.385 ( -8.170 -14.348 4.630) 17.147 16.585 ( 2.647 -16.675 -11.390) 20.366 16.958 ( 4.265 -15.418 7.821) 17.807 17.872 ( -0.771 5.439 0.144) 5.495 18.461 ( -6.885 11.172 -0.965) 13.159 18.876 ( 5.179 6.097 -8.260) 11.499 19.222 ( 0.910 2.705 6.347) 6.959 19.696 ( 0.091 11.314 -0.298) 11.318 20.478 ( 0.266 -1.657 -1.544) 2.281 ======================= Grid point 66 (30/114) ======================= q-point: (-0.25 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 5.547 16.018 -1.535) 17.020 0.969 ( 1.043 11.892 3.449) 12.426 1.033 ( 4.877 4.371 -1.215) 6.661 1.345 ( -3.948 8.109 2.065) 9.252 1.395 ( -1.903 10.942 4.479) 11.976 1.956 ( -2.938 11.185 16.256) 19.950 2.054 ( -0.114 10.337 5.586) 11.750 2.175 ( 0.665 5.117 4.801) 7.048 2.207 ( -0.057 -6.446 5.281) 8.333 2.399 ( 0.505 -2.373 -3.896) 4.590 2.431 ( 0.522 -2.300 -0.696) 2.459 2.452 ( 0.644 -3.075 2.821) 4.222 2.856 ( -0.815 -4.163 4.116) 5.910 2.994 ( -0.255 5.539 -0.179) 5.548 3.253 ( -0.195 -2.677 0.285) 2.699 3.423 ( 0.403 2.330 6.679) 7.086 3.473 ( 0.461 9.209 7.353) 11.793 3.534 ( 1.556 -1.249 2.188) 2.961 3.700 ( 1.227 0.127 1.175) 1.704 3.786 ( -2.216 -4.333 -0.434) 4.886 4.167 ( -0.005 13.217 -9.124) 16.061 4.664 ( -0.394 4.037 -1.936) 4.494 4.734 ( 0.843 3.158 1.526) 3.607 4.838 ( -0.153 -1.692 -0.611) 1.806 5.021 ( 0.961 7.863 2.639) 8.349 5.142 ( -0.144 -9.909 -1.088) 9.970 5.395 ( -1.101 -0.594 8.820) 8.909 5.603 ( -1.318 -1.836 7.943) 8.259 5.966 ( 0.094 0.339 -4.020) 4.035 6.006 ( 0.140 -3.290 -3.563) 4.852 6.187 ( 0.574 -3.094 -1.881) 3.666 6.263 ( -0.073 -2.624 -0.606) 2.694 6.281 ( 0.608 -4.417 0.298) 4.469 6.642 ( 0.066 -5.298 -5.859) 7.900 6.700 ( 0.244 6.880 -0.525) 6.905 6.891 ( 0.139 5.074 -0.966) 5.167 7.174 ( -1.708 3.552 13.002) 13.586 7.296 ( 0.356 -1.444 -3.152) 3.486 7.642 ( 0.565 1.104 -1.925) 2.290 7.929 ( 0.162 -4.994 4.126) 6.480 8.307 ( 2.777 0.623 -7.271) 7.808 9.112 ( -0.163 -3.253 -1.139) 3.451 12.198 ( 2.049 3.509 -6.921) 8.025 12.377 ( 0.112 2.402 -1.053) 2.625 12.578 ( -4.948 -0.765 -0.965) 5.099 12.970 ( 3.029 -0.267 0.496) 3.081 12.992 ( 1.258 1.117 -4.888) 5.169 13.155 ( -5.870 1.879 8.455) 10.463 13.487 ( -2.671 -8.361 5.388) 10.299 13.918 ( -3.208 -0.995 -0.920) 3.483 14.081 ( 1.176 -0.607 6.922) 7.047 14.172 ( -1.160 0.029 0.685) 1.347 14.748 ( 9.975 -2.776 -12.565) 16.281 14.978 ( -11.151 0.490 17.436) 20.703 15.285 ( 5.759 -11.074 -11.107) 16.708 15.821 ( -1.486 -5.801 7.619) 9.691 16.188 ( 5.271 -18.950 -6.428) 20.693 16.255 ( -5.289 -16.226 1.332) 17.118 16.611 ( 1.269 -15.286 -8.150) 17.370 16.993 ( -2.135 -17.099 8.062) 19.024 17.753 ( -8.188 11.854 3.407) 14.804 18.482 ( 6.937 6.076 -6.305) 11.170 18.946 ( 2.652 6.634 -6.286) 9.516 19.218 ( -2.187 1.757 6.743) 7.304 19.694 ( -0.231 11.528 -0.557) 11.544 20.476 ( -0.316 -1.695 -1.401) 2.222 ======================= Grid point 67 (31/114) ======================= q-point: ( 0.00 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -2.404 3.006 0.939) 3.962 1.193 ( 1.472 7.709 -4.861) 9.232 1.246 ( 6.534 13.211 3.794) 15.219 1.430 ( -2.541 10.046 4.424) 11.267 1.608 ( -1.320 15.114 -8.333) 17.309 2.061 ( -0.489 1.301 8.610) 8.721 2.077 ( -0.429 -6.189 5.118) 8.043 2.158 ( -1.652 3.959 1.832) 4.665 2.246 ( 1.611 -4.904 -0.440) 5.180 2.372 ( 0.706 -3.208 -1.935) 3.813 2.415 ( -0.589 -1.392 2.502) 2.923 2.556 ( -0.323 14.972 9.786) 17.890 2.756 ( -0.254 -4.107 2.927) 5.049 3.113 ( 0.089 5.890 -1.956) 6.206 3.181 ( 0.646 -4.366 -2.945) 5.306 3.397 ( -1.001 -5.044 4.376) 6.752 3.496 ( -0.875 6.225 7.780) 10.003 3.657 ( -0.273 -4.666 -0.097) 4.675 3.748 ( 1.526 3.267 -0.428) 3.631 3.877 ( -0.762 17.786 8.644) 19.790 4.436 ( 0.342 11.852 -7.901) 14.248 4.692 ( 0.254 -4.292 -5.214) 6.758 4.754 ( 0.402 -1.778 1.020) 2.089 4.818 ( -0.005 -1.122 -0.671) 1.308 4.950 ( -0.513 -2.234 1.992) 3.037 5.197 ( -0.533 6.786 -1.015) 6.882 5.402 ( -0.289 1.675 7.031) 7.233 5.533 ( -0.112 -4.026 3.196) 5.141 5.900 ( 0.289 -5.720 -5.256) 7.773 5.999 ( 0.515 2.101 -1.174) 2.461 6.088 ( -0.010 -7.113 -2.435) 7.518 6.155 ( -1.114 -3.343 4.215) 5.494 6.255 ( 0.218 -1.465 1.252) 1.940 6.431 ( 0.512 -12.271 -8.382) 14.869 6.856 ( -0.243 7.755 -1.468) 7.897 7.036 ( 0.755 7.121 -0.712) 7.196 7.258 ( -0.040 -2.140 -3.320) 3.950 7.311 ( -0.277 7.596 8.564) 11.451 7.654 ( 0.110 -0.084 0.341) 0.368 7.824 ( -0.144 -5.219 2.485) 5.782 8.327 ( -0.660 2.549 -4.549) 5.256 9.012 ( 0.054 -6.417 0.442) 6.432 12.304 ( 1.593 0.827 -1.347) 2.244 12.419 ( 0.093 1.179 -0.619) 1.334 12.561 ( 2.452 2.893 -4.561) 5.932 12.871 ( -4.866 -0.582 6.517) 8.155 12.972 ( 0.305 -4.293 -3.968) 5.854 13.202 ( 2.604 -5.671 3.453) 7.132 13.388 ( 0.229 3.827 0.989) 3.959 13.865 ( -3.177 2.279 -5.312) 6.596 14.103 ( 1.833 -1.719 3.905) 4.644 14.116 ( -0.288 -3.717 -0.130) 3.730 14.789 ( 2.753 -3.329 -7.921) 9.022 14.966 ( -0.035 4.350 6.677) 7.969 15.128 ( 0.573 -9.636 -7.394) 12.159 15.572 ( -8.340 -9.477 12.848) 18.012 15.869 ( 9.439 -18.972 -3.444) 21.469 16.011 ( -2.513 -6.857 7.125) 10.203 16.311 ( -0.962 -10.203 -1.240) 10.323 16.663 ( -1.790 -10.715 7.365) 13.125 17.948 ( -0.967 14.268 2.204) 14.469 18.681 ( 5.808 0.235 -7.110) 9.183 19.038 ( -3.469 3.286 -3.280) 5.796 19.200 ( -0.399 0.199 3.335) 3.365 19.917 ( -0.033 10.094 -2.297) 10.352 20.422 ( 0.054 -3.135 -1.788) 3.610 ======================= Grid point 68 (32/114) ======================= q-point: ( 0.25 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -5.362 6.240 -1.478) 8.359 1.191 ( -0.945 8.014 -2.515) 8.453 1.294 ( -4.377 14.299 3.606) 15.382 1.432 ( 4.298 5.619 7.740) 10.486 1.614 ( 2.231 16.154 -11.059) 19.703 2.049 ( -1.457 -0.010 8.821) 8.940 2.081 ( 0.069 -6.458 4.845) 8.074 2.129 ( -0.735 2.833 0.029) 2.927 2.282 ( 1.834 -2.931 0.864) 3.564 2.378 ( -0.208 -3.599 -0.329) 3.620 2.409 ( -0.119 -0.221 0.229) 0.339 2.568 ( 0.392 14.496 10.048) 17.642 2.760 ( 0.312 -4.110 3.689) 5.531 3.113 ( 0.139 6.072 -2.481) 6.561 3.180 ( -0.541 -4.766 -3.091) 5.706 3.364 ( -2.083 -4.226 4.964) 6.844 3.481 ( -0.998 5.652 8.012) 9.856 3.675 ( 1.439 -3.660 -1.048) 4.069 3.770 ( 0.511 2.869 0.302) 2.929 3.871 ( -0.548 17.816 8.742) 19.853 4.435 ( 0.344 11.427 -8.049) 13.982 4.703 ( 1.177 -4.857 -4.276) 6.577 4.760 ( 0.242 -2.018 0.220) 2.044 4.806 ( -1.124 0.049 -0.890) 1.435 4.946 ( 0.011 -2.436 2.190) 3.276 5.171 ( -1.500 6.711 -0.621) 6.904 5.406 ( -0.007 1.451 6.829) 6.982 5.546 ( 0.856 -3.736 2.791) 4.741 5.897 ( -0.078 -5.360 -4.944) 7.293 6.016 ( 0.992 2.379 -1.073) 2.792 6.081 ( -0.374 -6.964 -2.364) 7.363 6.145 ( -0.184 -3.986 4.208) 5.799 6.253 ( -0.408 -1.335 0.901) 1.662 6.435 ( 0.561 -12.198 -8.168) 14.691 6.851 ( -0.012 7.685 -1.354) 7.803 7.045 ( 0.070 7.161 -1.177) 7.258 7.255 ( 0.083 -2.009 -3.298) 3.863 7.313 ( -0.394 7.153 8.563) 11.164 7.653 ( -0.180 -0.009 0.465) 0.498 7.823 ( -0.154 -5.154 2.432) 5.701 8.311 ( -0.255 3.891 -4.182) 5.718 9.014 ( 0.087 -6.495 0.417) 6.509 12.299 ( -1.608 0.595 -1.096) 2.035 12.418 ( 0.023 1.203 -1.043) 1.592 12.673 ( 8.279 0.975 -4.080) 9.281 12.776 ( -5.080 1.084 2.258) 5.664 12.975 ( 0.084 -4.344 -0.324) 4.357 13.245 ( 0.878 -9.706 3.926) 10.506 13.388 ( -0.287 4.862 1.554) 5.112 13.829 ( 0.517 2.262 -7.196) 7.561 14.105 ( -0.330 -3.407 -0.864) 3.530 14.148 ( 1.644 -2.117 4.425) 5.173 14.736 ( -5.724 4.649 -1.142) 7.462 15.035 ( 5.042 -1.611 -3.326) 6.252 15.137 ( -0.028 -14.443 -2.895) 14.730 15.439 ( -4.767 -5.924 8.000) 11.037 15.963 ( -2.819 -7.336 8.557) 11.618 16.031 ( 6.004 -21.331 0.448) 22.165 16.281 ( -1.337 -7.611 -1.328) 7.841 16.656 ( 0.577 -9.878 6.362) 11.764 17.981 ( 3.705 12.540 0.819) 13.102 18.722 ( -3.216 -2.016 -1.496) 4.080 18.957 ( -1.368 6.858 -6.921) 9.838 19.222 ( 1.664 0.002 2.818) 3.273 19.916 ( 0.136 9.999 -2.180) 10.234 20.423 ( 0.267 -3.165 -1.784) 3.643 ======================= Grid point 69 (33/114) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.708 12.872 -3.228) 13.289 1.154 ( -2.815 11.772 2.669) 12.394 1.214 ( -2.058 9.695 -0.919) 9.953 1.517 ( 2.103 4.255 6.816) 8.306 1.631 ( 0.523 12.174 -9.381) 15.378 2.041 ( 0.325 1.596 7.692) 7.862 2.074 ( -0.882 -6.611 3.866) 7.709 2.140 ( 1.233 1.532 1.691) 2.594 2.298 ( -0.813 -1.077 0.859) 1.600 2.368 ( -0.557 -3.240 -0.404) 3.312 2.409 ( 0.274 -0.071 0.387) 0.479 2.576 ( -0.507 15.138 9.515) 17.887 2.766 ( -0.123 -4.305 3.934) 5.833 3.115 ( 0.280 5.980 -2.555) 6.508 3.164 ( -0.512 -5.261 -3.549) 6.367 3.351 ( 0.469 -3.517 5.640) 6.664 3.481 ( 0.181 5.421 8.848) 10.378 3.691 ( 0.349 -2.109 -1.600) 2.670 3.761 ( -1.497 1.192 0.095) 1.916 3.874 ( 0.032 18.108 8.565) 20.031 4.435 ( 0.351 11.410 -8.151) 14.027 4.719 ( 0.582 -6.020 -3.903) 7.198 4.756 ( -1.037 0.231 -0.671) 1.256 4.791 ( 0.267 -1.817 -0.203) 1.848 4.953 ( 0.356 -1.974 2.334) 3.078 5.159 ( 0.441 6.676 -0.062) 6.691 5.410 ( -0.243 1.516 6.868) 7.037 5.556 ( -0.132 -4.022 2.240) 4.606 5.892 ( 0.128 -5.347 -4.999) 7.321 6.020 ( -0.551 2.040 -0.003) 2.114 6.079 ( 0.436 -7.663 -3.255) 8.337 6.155 ( 0.735 -2.974 4.284) 5.266 6.246 ( -0.362 -1.303 1.031) 1.700 6.436 ( 0.237 -12.218 -8.143) 14.685 6.854 ( 0.351 7.514 -1.144) 7.609 7.037 ( -0.626 7.167 -1.855) 7.430 7.257 ( 0.327 -1.711 -2.992) 3.462 7.311 ( -0.478 6.997 8.171) 10.768 7.650 ( -0.144 0.045 0.493) 0.516 7.823 ( -0.073 -5.066 2.416) 5.613 8.316 ( 0.980 3.923 -3.377) 5.269 9.015 ( -0.085 -6.533 0.370) 6.544 12.266 ( -1.152 2.116 -2.848) 3.731 12.418 ( -0.033 0.891 -0.932) 1.290 12.672 ( -4.951 1.577 0.846) 5.265 12.836 ( 7.498 -1.562 -4.691) 8.982 12.970 ( -0.668 -3.830 1.286) 4.095 13.228 ( -2.843 -7.388 4.988) 9.356 13.384 ( -0.283 3.237 1.842) 3.735 13.869 ( 3.656 0.410 -8.414) 9.183 14.098 ( -0.531 -2.391 0.294) 2.467 14.160 ( -1.107 -2.373 4.107) 4.871 14.653 ( -1.424 3.916 -4.519) 6.147 15.079 ( -3.866 -5.936 11.733) 13.706 15.112 ( 1.492 -4.955 -7.229) 8.891 15.462 ( 6.341 -11.224 -5.397) 13.975 15.896 ( -5.371 -11.524 12.957) 18.153 16.081 ( -0.606 -13.494 5.506) 14.587 16.286 ( 1.850 -8.852 -5.727) 10.704 16.682 ( 0.987 -11.581 8.009) 14.115 18.046 ( 1.620 10.568 -0.792) 10.721 18.600 ( -5.961 3.281 -0.381) 6.815 18.989 ( 3.550 4.133 -8.110) 9.770 19.247 ( 0.317 -0.534 3.639) 3.692 19.918 ( 0.230 9.902 -2.035) 10.112 20.426 ( 0.109 -3.279 -1.786) 3.736 ======================= Grid point 70 (34/114) ======================= q-point: (-0.25 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 7.630 15.921 -2.448) 17.823 1.135 ( 0.917 7.536 1.717) 7.783 1.201 ( 0.106 8.820 -0.803) 8.857 1.493 ( -3.926 6.158 2.768) 7.810 1.635 ( -0.046 11.116 -5.628) 12.460 2.059 ( -0.100 -1.580 7.862) 8.020 2.072 ( 0.683 -2.212 4.850) 5.374 2.163 ( 0.839 1.982 2.488) 3.290 2.255 ( -2.661 -2.033 -0.572) 3.397 2.364 ( 0.223 -2.760 -1.597) 3.196 2.418 ( 0.209 -1.398 2.260) 2.666 2.565 ( -1.306 15.534 9.297) 18.150 2.762 ( -0.556 -4.302 3.200) 5.390 3.114 ( -0.099 5.936 -1.911) 6.237 3.166 ( 0.993 -4.985 -3.513) 6.179 3.382 ( 1.704 -4.229 5.047) 6.801 3.494 ( 0.191 5.815 8.709) 10.474 3.684 ( -1.417 -3.759 -0.281) 4.027 3.732 ( -0.448 2.433 -1.110) 2.711 3.880 ( -0.276 17.968 8.481) 19.871 4.435 ( 0.412 11.836 -8.020) 14.303 4.706 ( -1.120 -4.825 -5.661) 7.522 4.746 ( 0.181 -0.609 1.474) 1.605 4.807 ( 1.052 -2.514 -0.496) 2.770 4.957 ( -0.244 -1.775 2.117) 2.773 5.183 ( 1.678 6.770 -0.295) 6.981 5.406 ( -0.711 1.648 7.018) 7.244 5.545 ( -1.100 -4.239 2.566) 5.076 5.895 ( 0.586 -5.635 -5.306) 7.762 6.004 ( -0.838 1.628 -0.412) 1.876 6.086 ( 0.446 -7.569 -2.951) 8.136 6.167 ( -0.201 -2.498 4.182) 4.876 6.246 ( 0.346 -1.456 1.412) 2.058 6.432 ( 0.181 -12.291 -8.351) 14.861 6.859 ( 0.139 7.587 -1.239) 7.688 7.028 ( 0.034 7.136 -1.406) 7.273 7.260 ( 0.200 -1.830 -3.000) 3.520 7.310 ( -0.361 7.415 8.152) 11.026 7.651 ( 0.139 -0.031 0.369) 0.396 7.824 ( -0.071 -5.131 2.465) 5.693 8.331 ( 0.650 2.614 -3.715) 4.589 9.013 ( -0.129 -6.460 0.390) 6.473 12.266 ( 1.568 2.793 -3.328) 4.619 12.417 ( 0.066 0.894 -0.673) 1.121 12.587 ( -3.662 1.984 -2.054) 4.643 12.921 ( 0.134 -3.680 4.520) 5.831 12.964 ( 0.902 -2.739 -4.880) 5.668 13.180 ( -1.443 -3.458 4.915) 6.181 13.383 ( 0.084 2.558 1.280) 2.861 13.911 ( 0.309 0.323 -7.199) 7.213 14.082 ( -0.726 -0.561 4.358) 4.453 14.131 ( -1.295 -3.633 0.905) 3.962 14.693 ( 5.626 -1.735 -9.036) 10.785 15.006 ( -3.898 1.489 12.716) 13.383 15.129 ( 0.455 -6.018 -7.465) 9.599 15.604 ( 7.042 -14.534 -4.676) 16.814 15.797 ( -4.805 -14.089 12.255) 19.281 16.053 ( -2.405 -7.306 6.462) 10.046 16.312 ( 1.019 -10.628 -4.547) 11.605 16.690 ( -1.160 -12.435 8.954) 15.367 18.008 ( -4.483 12.634 1.092) 13.450 18.581 ( 3.917 3.404 -5.390) 7.482 19.043 ( 2.386 2.604 -5.713) 6.717 19.232 ( -2.155 -0.572 4.278) 4.824 19.919 ( 0.059 9.995 -2.150) 10.224 20.424 ( -0.107 -3.252 -1.790) 3.714 ======================= Grid point 71 (35/114) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.658 5.455 -2.028) 6.052 1.315 ( -0.019 3.668 -4.535) 5.833 1.480 ( 3.160 9.973 5.103) 11.640 1.648 ( -0.645 11.007 4.121) 11.771 1.845 ( 1.200 6.362 -4.552) 7.915 1.896 ( -0.057 -9.102 3.373) 9.707 2.066 ( -1.629 -1.910 3.576) 4.369 2.117 ( -0.114 -6.795 1.918) 7.061 2.231 ( -0.100 2.570 0.544) 2.629 2.317 ( -0.264 -2.183 -2.307) 3.187 2.457 ( 0.282 6.003 -1.524) 6.200 2.684 ( -0.078 -2.845 0.477) 2.886 2.774 ( -0.350 5.148 9.274) 10.613 3.034 ( -0.089 -8.625 -4.851) 9.895 3.249 ( 0.883 6.461 -0.259) 6.526 3.431 ( -0.988 8.629 1.993) 8.911 3.538 ( 0.084 -6.538 0.898) 6.600 3.698 ( -2.161 11.815 4.509) 12.829 3.772 ( 2.719 -0.202 -0.449) 2.763 4.247 ( -0.845 16.650 8.789) 18.846 4.420 ( 0.101 -17.688 -1.153) 17.726 4.601 ( -0.223 2.149 -0.498) 2.217 4.734 ( -0.023 0.247 -0.404) 0.474 4.790 ( 0.284 -0.334 1.052) 1.140 5.065 ( -0.071 8.702 -1.286) 8.797 5.314 ( -0.164 4.800 -4.940) 6.890 5.410 ( -0.395 -5.736 0.079) 5.750 5.442 ( 0.356 -0.669 2.729) 2.833 5.795 ( 0.290 -3.460 -4.125) 5.392 5.904 ( 0.129 -7.603 -2.581) 8.030 6.069 ( 1.435 1.900 1.250) 2.689 6.118 ( -2.323 -0.449 1.888) 3.027 6.197 ( 0.589 -7.718 -7.501) 10.779 6.221 ( 0.432 -3.128 0.139) 3.161 7.007 ( -0.016 6.701 -2.842) 7.279 7.181 ( 1.180 6.197 0.809) 6.361 7.209 ( -0.724 -2.125 -2.940) 3.699 7.402 ( -0.295 0.014 5.625) 5.633 7.657 ( -0.024 0.714 1.262) 1.450 7.729 ( -0.052 -3.480 -0.333) 3.496 8.436 ( -0.159 8.003 0.362) 8.013 8.847 ( -0.058 -9.423 1.971) 9.627 12.321 ( 0.099 1.032 -0.499) 1.151 12.407 ( 0.185 -2.134 -0.273) 2.160 12.645 ( 1.620 4.907 -3.546) 6.268 12.837 ( -0.292 -3.800 4.652) 6.014 12.909 ( -1.853 0.226 -1.683) 2.514 13.068 ( 0.383 -6.272 1.029) 6.367 13.546 ( 0.791 10.072 -4.298) 10.979 13.917 ( -1.532 1.253 -4.346) 4.775 13.999 ( 0.321 -6.100 -4.424) 7.542 14.063 ( 0.738 -2.457 3.213) 4.111 14.721 ( 2.055 -1.119 -5.898) 6.345 14.936 ( 0.132 -9.503 -6.186) 11.340 15.073 ( -1.302 5.272 8.459) 10.052 15.358 ( -2.596 -10.092 8.151) 13.230 15.632 ( 3.734 -3.595 5.395) 7.481 15.833 ( -2.535 -9.793 7.251) 12.446 16.243 ( -0.307 1.993 2.798) 3.449 16.468 ( -0.443 -8.134 7.156) 10.842 18.241 ( -0.371 13.621 -1.816) 13.747 18.640 ( 2.062 -4.446 -5.631) 7.465 19.082 ( -0.707 1.649 -1.633) 2.426 19.178 ( -0.251 -2.177 1.688) 2.767 20.101 ( 0.018 7.734 -3.007) 8.298 20.343 ( 0.077 -4.431 -2.353) 5.018 ======================= Grid point 72 (36/114) ======================= q-point: ( 0.25 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.407 7.977 -3.105) 8.570 1.314 ( 0.360 3.723 -5.158) 6.371 1.548 ( 3.332 7.135 6.475) 10.195 1.595 ( -5.199 12.926 5.200) 14.871 1.843 ( -1.457 6.070 -4.743) 7.839 1.900 ( 0.496 -9.287 3.960) 10.108 2.058 ( 0.643 -1.681 3.203) 3.673 2.107 ( -0.846 -5.210 -0.272) 5.285 2.244 ( 1.084 0.617 1.297) 1.799 2.313 ( 0.107 -2.403 -2.126) 3.210 2.461 ( 0.193 5.695 -1.701) 5.947 2.687 ( 0.286 -2.716 0.628) 2.802 2.780 ( 0.094 4.822 9.495) 10.650 3.021 ( -0.555 -8.587 -4.768) 9.838 3.272 ( 1.141 7.333 0.209) 7.425 3.404 ( -1.444 8.666 1.325) 8.885 3.561 ( 1.915 -6.101 1.302) 6.526 3.658 ( -2.306 8.360 3.312) 9.283 3.812 ( 1.040 2.500 0.496) 2.753 4.240 ( -0.541 16.561 8.742) 18.735 4.422 ( 0.142 -17.655 -0.962) 17.682 4.594 ( -0.314 1.735 -0.426) 1.814 4.735 ( 0.150 0.445 -0.659) 0.809 4.795 ( -0.021 -0.267 1.126) 1.157 5.063 ( 0.039 8.843 -1.280) 8.935 5.286 ( -1.564 4.190 -3.994) 5.996 5.418 ( 0.870 -2.909 -0.112) 3.039 5.459 ( 0.835 -2.369 1.822) 3.103 5.795 ( 0.088 -3.446 -4.031) 5.304 5.905 ( 0.161 -7.676 -2.565) 8.095 6.076 ( -1.977 0.501 2.063) 2.901 6.102 ( 1.745 0.512 0.429) 1.868 6.201 ( 0.547 -7.597 -7.723) 10.847 6.224 ( -0.234 -3.012 1.224) 3.259 7.001 ( -0.225 6.698 -2.498) 7.152 7.179 ( -0.948 3.163 -1.283) 3.543 7.216 ( 1.248 0.834 -1.352) 2.020 7.402 ( -0.172 0.294 5.470) 5.480 7.656 ( -0.197 0.617 1.365) 1.511 7.729 ( 0.022 -3.514 -0.392) 3.536 8.435 ( 0.081 8.246 0.439) 8.258 8.848 ( -0.053 -9.465 1.957) 9.665 12.313 ( -0.634 1.047 -0.847) 1.489 12.405 ( -0.270 -2.303 -0.565) 2.387 12.711 ( 4.967 2.711 -2.244) 6.087 12.813 ( -3.101 1.399 3.815) 5.112 12.886 ( 0.115 -2.373 -1.425) 2.770 13.072 ( -0.034 -7.268 0.984) 7.334 13.552 ( 0.100 9.872 -4.204) 10.731 13.883 ( -0.978 1.925 -3.869) 4.431 13.998 ( 0.032 -5.770 -4.471) 7.299 14.092 ( 1.409 -3.960 2.238) 4.762 14.741 ( -0.010 -1.508 -5.165) 5.381 14.924 ( -0.813 -7.384 -4.593) 8.734 15.062 ( -0.095 4.270 6.262) 7.580 15.317 ( -1.660 -6.284 7.622) 10.017 15.706 ( 1.357 -8.328 8.514) 11.987 15.796 ( -0.514 -8.917 4.904) 10.190 16.239 ( -0.327 2.277 2.857) 3.668 16.470 ( -0.038 -8.053 6.979) 10.656 18.254 ( 1.646 13.140 -2.297) 13.441 18.651 ( -0.859 -5.203 -3.998) 6.618 19.054 ( -1.178 3.353 -2.503) 4.347 19.189 ( 0.900 -2.902 1.453) 3.368 20.099 ( 0.100 7.763 -2.954) 8.307 20.344 ( 0.227 -4.486 -2.322) 5.057 ======================= Grid point 73 (37/114) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 1.980 8.401 -3.745) 9.409 1.320 ( 0.641 4.166 -5.203) 6.696 1.492 ( -5.331 15.381 5.240) 17.101 1.605 ( 1.827 5.605 6.293) 8.623 1.808 ( -0.823 6.089 -4.334) 7.519 1.910 ( -0.188 -8.362 4.103) 9.316 2.081 ( 0.966 -1.628 3.374) 3.869 2.097 ( 0.163 -5.702 -0.824) 5.764 2.257 ( -0.038 -0.828 1.527) 1.737 2.318 ( 0.461 -2.239 -1.504) 2.737 2.460 ( -0.071 5.927 -2.209) 6.326 2.692 ( 0.035 -2.695 0.457) 2.734 2.785 ( -0.569 4.294 9.810) 10.723 3.016 ( 0.532 -8.154 -4.428) 9.295 3.272 ( -1.162 8.496 -1.093) 8.645 3.402 ( 1.127 8.175 2.106) 8.517 3.588 ( -0.523 -5.893 0.658) 5.953 3.636 ( 0.996 6.653 4.741) 8.230 3.806 ( -1.556 3.737 -0.635) 4.097 4.244 ( 0.060 16.555 8.882) 18.787 4.422 ( -0.015 -17.935 -0.802) 17.953 4.593 ( 0.260 2.023 -0.252) 2.055 4.737 ( 0.102 0.335 -0.681) 0.765 4.791 ( -0.401 0.248 0.932) 1.044 5.064 ( 0.204 8.339 -1.298) 8.442 5.270 ( 0.372 3.729 -3.045) 4.828 5.435 ( 0.746 -2.052 -0.651) 2.278 5.462 ( -0.745 -2.297 1.593) 2.893 5.793 ( 0.067 -3.300 -3.812) 5.042 5.905 ( 0.094 -7.781 -2.486) 8.169 6.051 ( -0.793 0.477 1.933) 2.143 6.134 ( 1.504 0.070 -0.630) 1.633 6.203 ( 0.196 -8.606 -7.149) 11.190 6.216 ( -0.645 -1.904 1.629) 2.587 6.998 ( 0.218 6.433 -2.155) 6.788 7.163 ( -0.444 2.622 -2.447) 3.614 7.231 ( 0.249 1.525 -0.654) 1.678 7.404 ( -0.203 0.526 5.433) 5.462 7.654 ( -0.094 0.708 1.387) 1.560 7.729 ( 0.082 -3.505 -0.374) 3.525 8.438 ( 0.117 8.093 0.525) 8.111 8.848 ( -0.118 -9.467 1.934) 9.663 12.305 ( -0.035 1.748 -1.481) 2.291 12.400 ( -0.106 -2.276 -0.794) 2.413 12.729 ( -3.978 3.422 1.886) 5.576 12.811 ( 3.243 -0.647 -1.124) 3.493 12.899 ( 1.237 -1.876 0.005) 2.248 13.068 ( -0.458 -7.097 1.011) 7.183 13.544 ( -0.452 9.885 -3.746) 10.580 13.885 ( 1.491 -0.096 -5.389) 5.593 13.997 ( 0.284 -5.212 -4.610) 6.964 14.103 ( -0.717 -4.313 3.557) 5.636 14.714 ( -1.691 2.485 -4.423) 5.348 14.914 ( 0.413 -6.967 -3.233) 7.692 15.078 ( 0.676 1.484 5.185) 5.435 15.320 ( 1.483 -5.750 3.710) 7.002 15.670 ( -4.307 -6.712 13.937) 16.057 15.834 ( 2.361 -10.621 2.043) 11.070 16.238 ( 0.063 2.276 2.550) 3.419 16.474 ( -0.230 -8.611 7.745) 11.584 18.280 ( 0.778 11.599 -2.662) 11.925 18.613 ( -1.875 -2.286 -3.607) 4.664 19.050 ( 0.926 2.548 -3.319) 4.285 19.202 ( 0.122 -3.533 1.861) 3.995 20.100 ( 0.246 7.764 -2.840) 8.271 20.346 ( 0.132 -4.481 -2.284) 5.031 ======================= Grid point 74 (38/114) ======================= q-point: (-0.25 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.586 5.321 -2.490) 5.904 1.322 ( -0.096 3.824 -4.775) 6.118 1.440 ( -0.111 14.627 4.653) 15.350 1.633 ( 1.126 8.567 4.186) 9.601 1.817 ( 1.790 6.618 -4.339) 8.113 1.901 ( -0.853 -8.855 4.019) 9.762 2.089 ( -0.593 -2.480 4.160) 4.879 2.108 ( 0.697 -6.424 0.554) 6.486 2.245 ( -1.150 0.960 1.175) 1.904 2.322 ( 0.042 -2.141 -1.705) 2.738 2.456 ( -0.066 6.287 -2.056) 6.615 2.688 ( -0.327 -2.832 0.301) 2.866 2.778 ( -0.897 4.625 9.567) 10.664 3.029 ( 0.946 -8.236 -4.443) 9.406 3.248 ( -0.754 7.377 -1.338) 7.536 3.428 ( 0.949 8.474 2.449) 8.871 3.557 ( -1.844 -5.702 0.964) 6.070 3.688 ( 2.880 7.805 6.160) 10.352 3.765 ( -2.123 2.651 -2.429) 4.176 4.251 ( -0.268 16.661 8.926) 18.903 4.421 ( -0.051 -17.993 -1.008) 18.021 4.600 ( 0.345 2.438 -0.339) 2.485 4.736 ( -0.133 0.127 -0.398) 0.439 4.786 ( -0.041 0.193 0.844) 0.866 5.066 ( 0.061 8.194 -1.297) 8.296 5.293 ( 2.030 3.605 -3.430) 5.374 5.433 ( -1.236 -5.736 -1.953) 6.184 5.444 ( -0.723 0.988 3.425) 3.637 5.793 ( 0.271 -3.306 -3.908) 5.126 5.904 ( 0.073 -7.711 -2.495) 8.105 6.049 ( 0.448 1.243 1.663) 2.124 6.147 ( -0.444 0.184 0.285) 0.559 6.195 ( -0.045 -8.369 -5.143) 9.823 6.213 ( 0.327 -2.816 -1.243) 3.096 7.004 ( 0.472 6.418 -2.454) 6.888 7.162 ( 0.566 3.871 -1.527) 4.200 7.225 ( -0.652 0.364 -1.109) 1.337 7.403 ( -0.328 0.253 5.583) 5.598 7.655 ( 0.077 0.804 1.286) 1.519 7.730 ( 0.011 -3.469 -0.317) 3.483 8.439 ( -0.120 7.850 0.450) 7.864 8.847 ( -0.124 -9.426 1.948) 9.626 12.311 ( 0.753 1.832 -1.219) 2.326 12.401 ( 0.291 -2.065 -0.569) 2.161 12.661 ( -2.690 4.704 -1.588) 5.647 12.837 ( -0.009 -4.037 2.802) 4.914 12.925 ( 0.724 -0.427 -1.134) 1.412 13.062 ( -0.082 -6.005 1.178) 6.120 13.538 ( 0.288 10.072 -3.873) 10.795 13.917 ( 1.886 -1.479 -6.156) 6.606 13.999 ( 0.212 -4.831 -4.667) 6.720 14.075 ( -2.064 -2.694 4.952) 6.004 14.697 ( 0.581 2.203 -5.184) 5.663 14.928 ( 1.109 -8.547 -4.772) 9.852 15.084 ( -0.503 2.552 7.331) 7.779 15.363 ( 1.777 -9.734 3.014) 10.344 15.609 ( -2.401 -2.649 11.866) 12.393 15.857 ( -0.356 -10.673 4.602) 11.629 16.243 ( 0.089 2.005 2.465) 3.179 16.472 ( -0.635 -8.703 7.941) 11.798 18.267 ( -1.652 12.153 -2.040) 12.433 18.605 ( 1.508 -1.823 -5.353) 5.852 19.073 ( 1.401 1.258 -2.532) 3.155 19.194 ( -1.086 -2.999 2.150) 3.847 20.102 ( 0.164 7.734 -2.893) 8.259 20.345 ( -0.018 -4.425 -2.315) 4.995 ======================= Grid point 75 (39/114) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.037 -2.499 -3.836) 4.578 1.327 ( 0.037 2.499 -3.836) 4.578 1.683 ( 0.135 -10.032 5.002) 11.211 1.683 ( 0.135 10.032 5.002) 11.211 1.856 ( -0.437 -7.345 2.622) 7.811 1.856 ( -0.437 7.345 2.622) 7.811 2.027 ( 0.420 -0.441 0.648) 0.890 2.027 ( 0.420 0.441 0.648) 0.890 2.276 ( -0.211 -1.963 -1.197) 2.309 2.276 ( -0.211 1.963 -1.197) 2.309 2.600 ( 0.072 -6.027 -3.134) 6.793 2.600 ( 0.072 6.027 -3.134) 6.793 2.867 ( -0.279 -6.208 3.301) 7.036 2.867 ( -0.279 6.208 3.301) 7.036 3.394 ( 0.341 -7.259 0.537) 7.287 3.394 ( 0.341 7.259 0.537) 7.287 3.643 ( -0.074 -9.280 -2.197) 9.536 3.643 ( -0.074 9.280 -2.197) 9.536 4.041 ( 0.143 -17.952 3.100) 18.219 4.041 ( 0.143 17.952 3.100) 18.219 4.521 ( -0.804 -9.056 7.067) 11.515 4.521 ( -0.804 9.056 7.067) 11.515 4.769 ( 0.151 -1.890 -0.509) 1.963 4.769 ( 0.151 1.890 -0.509) 1.963 5.249 ( 0.387 -8.763 -1.951) 8.986 5.249 ( 0.387 8.763 -1.951) 8.986 5.403 ( -0.209 -3.621 -3.468) 5.018 5.403 ( -0.209 3.621 -3.468) 5.018 5.790 ( 0.106 -2.975 -1.681) 3.418 5.790 ( 0.106 2.975 -1.681) 3.418 6.084 ( 0.117 -1.517 -3.405) 3.730 6.084 ( 0.117 1.517 -3.405) 3.730 6.166 ( 0.035 -2.673 0.037) 2.673 6.166 ( 0.035 2.673 0.037) 2.673 7.126 ( 0.236 -4.786 -3.583) 5.983 7.126 ( 0.236 4.786 -3.583) 5.983 7.325 ( -0.133 -6.175 4.253) 7.499 7.325 ( -0.133 6.175 4.253) 7.499 7.682 ( -0.053 -1.539 -0.517) 1.624 7.682 ( -0.053 1.539 -0.517) 1.624 8.636 ( -0.105 -10.629 2.443) 10.906 8.636 ( -0.105 10.629 2.443) 10.906 12.355 ( -0.110 -2.344 -0.303) 2.366 12.355 ( -0.110 2.344 -0.303) 2.366 12.746 ( 0.674 -4.659 0.189) 4.711 12.746 ( 0.674 4.659 0.189) 4.711 12.959 ( -0.640 -4.066 -0.033) 4.117 12.959 ( -0.640 4.066 -0.033) 4.117 13.771 ( 0.701 -10.980 -6.529) 12.794 13.771 ( 0.701 10.980 -6.529) 12.794 14.008 ( -0.252 -2.877 -0.490) 2.929 14.008 ( -0.252 2.877 -0.490) 2.929 14.769 ( 0.326 -5.670 -3.820) 6.844 14.769 ( 0.326 5.670 -3.820) 6.844 15.189 ( -0.339 -6.392 7.567) 9.911 15.189 ( -0.339 6.392 7.567) 9.911 15.665 ( -0.575 -5.633 6.822) 8.866 15.665 ( -0.575 5.633 6.822) 8.866 16.327 ( -0.239 -5.557 5.770) 8.015 16.327 ( -0.239 5.557 5.770) 8.015 18.490 ( 0.422 -10.034 -4.354) 10.946 18.490 ( 0.422 10.034 -4.354) 10.946 19.124 ( -0.076 -2.582 0.217) 2.592 19.124 ( -0.076 2.582 0.217) 2.592 20.239 ( 0.044 -5.762 -2.871) 6.438 20.239 ( 0.044 5.762 -2.871) 6.438 ======================= Grid point 77 (40/114) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.514 -2.689 -4.060) 4.897 1.329 ( 0.514 2.689 -4.060) 4.897 1.706 ( 1.589 -8.685 4.965) 10.130 1.706 ( 1.589 8.685 4.965) 10.130 1.836 ( -1.760 -8.442 2.462) 8.968 1.836 ( -1.760 8.442 2.462) 8.968 2.021 ( -1.000 -2.183 0.770) 2.522 2.021 ( -1.000 2.183 0.770) 2.522 2.272 ( 0.016 -1.732 -1.235) 2.127 2.272 ( 0.016 1.732 -1.235) 2.127 2.602 ( 0.365 -6.217 -2.972) 6.901 2.602 ( 0.365 6.217 -2.972) 6.901 2.864 ( -0.248 -5.520 3.110) 6.341 2.864 ( -0.248 5.520 3.110) 6.341 3.421 ( 2.006 -7.109 1.600) 7.557 3.421 ( 2.006 7.109 1.600) 7.557 3.621 ( -1.738 -9.292 -2.862) 9.878 3.621 ( -1.738 9.292 -2.862) 9.878 4.048 ( 0.159 -17.233 2.867) 17.471 4.048 ( 0.159 17.233 2.867) 17.471 4.512 ( -0.541 -8.983 7.065) 11.441 4.512 ( -0.541 8.983 7.065) 11.441 4.772 ( 0.188 -1.954 -0.498) 2.026 4.772 ( 0.188 1.954 -0.498) 2.026 5.244 ( -0.647 -7.897 -1.668) 8.098 5.244 ( -0.647 7.897 -1.668) 8.098 5.410 ( 1.127 -3.353 -3.871) 5.243 5.410 ( 1.127 3.353 -3.871) 5.243 5.790 ( 0.047 -3.004 -1.641) 3.423 5.790 ( 0.047 3.004 -1.641) 3.423 6.076 ( -0.500 -1.654 -3.213) 3.648 6.076 ( -0.500 1.654 -3.213) 3.648 6.172 ( 0.399 -2.644 0.035) 2.674 6.172 ( 0.399 2.644 0.035) 2.674 7.121 ( -0.341 -4.773 -3.380) 5.859 7.121 ( -0.341 4.773 -3.380) 5.859 7.333 ( 0.357 -5.839 3.972) 7.071 7.333 ( 0.357 5.839 3.972) 7.071 7.680 ( -0.043 -1.582 -0.541) 1.672 7.680 ( -0.043 1.582 -0.541) 1.672 8.636 ( -0.062 -10.611 2.439) 10.888 8.636 ( -0.062 10.611 2.439) 10.888 12.349 ( -0.315 -2.490 -0.655) 2.594 12.349 ( -0.315 2.490 -0.655) 2.594 12.774 ( 1.667 -3.180 1.884) 4.055 12.774 ( 1.667 3.180 1.884) 4.055 12.940 ( -0.946 -5.460 -1.470) 5.733 12.940 ( -0.946 5.460 -1.470) 5.733 13.768 ( -0.286 -10.416 -6.411) 12.234 13.768 ( -0.286 10.416 -6.411) 12.234 14.003 ( -0.120 -4.091 -0.370) 4.109 14.003 ( -0.120 4.091 -0.370) 4.109 14.782 ( 1.131 -5.404 -4.032) 6.837 14.782 ( 1.131 5.404 -4.032) 6.837 15.182 ( -0.953 -6.524 7.650) 10.099 15.182 ( -0.953 6.524 7.650) 10.099 15.662 ( -0.280 -3.047 6.748) 7.409 15.662 ( -0.280 3.047 6.748) 7.409 16.327 ( -0.301 -5.761 5.811) 8.188 16.327 ( -0.301 5.761 5.811) 8.188 18.496 ( 0.479 -9.865 -4.170) 10.721 18.496 ( 0.479 9.865 -4.170) 10.721 19.120 ( -0.271 -3.366 0.048) 3.378 19.120 ( -0.271 3.366 0.048) 3.378 20.238 ( 0.177 -5.848 -2.846) 6.507 20.238 ( 0.177 5.848 -2.846) 6.507 ======================= Grid point 79 (41/114) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.300 -2.475 -4.150) 4.842 1.335 ( 0.300 2.475 -4.150) 4.842 1.727 ( -0.697 -8.194 4.911) 9.578 1.727 ( -0.697 8.194 4.911) 9.578 1.816 ( 0.344 -9.905 1.989) 10.108 1.816 ( 0.344 9.905 1.989) 10.108 2.005 ( -0.445 -3.394 0.982) 3.561 2.005 ( -0.445 3.394 0.982) 3.561 2.274 ( 0.272 -1.813 -0.867) 2.028 2.274 ( 0.272 1.813 -0.867) 2.028 2.606 ( 0.217 -6.314 -3.195) 7.080 2.606 ( 0.217 6.314 -3.195) 7.080 2.864 ( -0.033 -5.420 3.388) 6.392 2.864 ( -0.033 5.420 3.388) 6.392 3.443 ( -0.541 -7.703 1.608) 7.888 3.443 ( -0.541 7.703 1.608) 7.888 3.598 ( 0.414 -8.347 -2.868) 8.836 3.598 ( 0.414 8.347 -2.868) 8.836 4.048 ( -0.402 -17.125 2.434) 17.302 4.048 ( -0.402 17.125 2.434) 17.302 4.516 ( 0.159 -8.872 7.433) 11.575 4.516 ( 0.159 8.872 7.433) 11.575 4.773 ( -0.099 -1.900 -0.562) 1.984 4.773 ( -0.099 1.900 -0.562) 1.984 5.233 ( -0.161 -7.078 -1.749) 7.293 5.233 ( -0.161 7.078 -1.749) 7.293 5.425 ( 0.482 -2.813 -3.852) 4.794 5.425 ( 0.482 2.813 -3.852) 4.794 5.789 ( 0.036 -3.026 -1.476) 3.367 5.789 ( 0.036 3.026 -1.476) 3.367 6.069 ( 0.163 -2.571 -3.155) 4.073 6.069 ( 0.163 2.571 -3.155) 4.073 6.176 ( -0.018 -1.991 -0.130) 1.995 6.176 ( -0.018 1.991 -0.130) 1.995 7.114 ( 0.066 -4.625 -3.103) 5.569 7.114 ( 0.066 4.625 -3.103) 5.569 7.338 ( -0.222 -5.647 3.599) 6.701 7.338 ( -0.222 5.647 3.599) 6.701 7.680 ( 0.098 -1.661 -0.467) 1.728 7.680 ( 0.098 1.661 -0.467) 1.728 8.637 ( -0.114 -10.551 2.425) 10.826 8.637 ( -0.114 10.551 2.425) 10.826 12.347 ( 0.156 -2.466 -0.910) 2.633 12.347 ( 0.156 2.466 -0.910) 2.633 12.785 ( -1.079 -1.989 3.290) 3.993 12.785 ( -1.079 1.989 3.290) 3.993 12.938 ( 1.025 -5.146 -2.720) 5.911 12.938 ( 1.025 5.146 -2.720) 5.911 13.757 ( -0.105 -10.156 -6.393) 12.001 13.757 ( -0.105 10.156 -6.393) 12.001 14.004 ( 0.261 -4.205 -0.108) 4.215 14.004 ( 0.261 4.205 -0.108) 4.215 14.792 ( 0.039 -5.130 -4.485) 6.814 14.792 ( 0.039 5.130 -4.485) 6.814 15.174 ( -0.347 -7.135 7.871) 10.630 15.174 ( -0.347 7.135 7.871) 10.630 15.666 ( -0.031 -5.044 6.670) 8.362 15.666 ( -0.031 5.044 6.670) 8.362 16.326 ( -0.294 -5.799 5.984) 8.338 16.326 ( -0.294 5.799 5.984) 8.338 18.497 ( -0.034 -8.691 -4.299) 9.696 18.497 ( -0.034 8.691 -4.299) 9.696 19.118 ( 0.068 -4.074 0.038) 4.075 19.118 ( 0.068 4.074 0.038) 4.075 20.240 ( 0.210 -5.881 -2.770) 6.505 20.240 ( 0.210 5.881 -2.770) 6.505 ======================= Grid point 81 (42/114) ======================= q-point: (-0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.130 -2.219 -3.933) 4.518 1.332 ( -0.130 2.219 -3.933) 4.518 1.697 ( -1.955 -10.475 4.781) 11.679 1.697 ( -1.955 10.475 4.781) 11.679 1.844 ( 1.466 -8.220 2.372) 8.680 1.844 ( 1.466 8.220 2.372) 8.680 2.010 ( 0.881 -2.451 0.791) 2.722 2.010 ( 0.881 2.451 0.791) 2.722 2.278 ( 0.107 -1.974 -0.810) 2.136 2.278 ( 0.107 1.974 -0.810) 2.136 2.604 ( -0.083 -6.111 -3.362) 6.976 2.604 ( -0.083 6.111 -3.362) 6.976 2.867 ( -0.043 -6.118 3.591) 7.094 2.867 ( -0.043 6.118 3.591) 7.094 3.411 ( -2.002 -7.837 0.267) 8.093 3.411 ( -2.002 7.837 0.267) 8.093 3.626 ( 1.858 -8.466 -1.924) 8.878 3.626 ( 1.858 8.466 -1.924) 8.878 4.041 ( -0.400 -17.830 2.671) 18.034 4.041 ( -0.400 17.830 2.671) 18.034 4.524 ( -0.123 -8.942 7.423) 11.622 4.524 ( -0.123 8.942 7.423) 11.622 4.769 ( -0.143 -1.840 -0.575) 1.933 4.769 ( -0.143 1.840 -0.575) 1.933 5.237 ( 0.755 -7.730 -1.995) 8.019 5.237 ( 0.755 7.730 -1.995) 8.019 5.418 ( -0.739 -2.956 -3.483) 4.628 5.418 ( -0.739 2.956 -3.483) 4.628 5.789 ( 0.095 -3.000 -1.519) 3.364 5.789 ( 0.095 3.000 -1.519) 3.364 6.077 ( 0.809 -2.557 -3.284) 4.240 6.077 ( 0.809 2.557 -3.284) 4.240 6.171 ( -0.405 -1.847 -0.189) 1.900 6.171 ( -0.405 1.847 -0.189) 1.900 7.119 ( 0.641 -4.593 -3.258) 5.668 7.119 ( 0.641 4.593 -3.258) 5.668 7.331 ( -0.709 -5.945 3.834) 7.110 7.331 ( -0.709 5.945 3.834) 7.110 7.682 ( 0.087 -1.620 -0.444) 1.682 7.682 ( 0.087 1.620 -0.444) 1.682 8.636 ( -0.158 -10.569 2.429) 10.845 8.636 ( -0.158 10.569 2.429) 10.845 12.352 ( 0.379 -2.305 -0.584) 2.408 12.352 ( 0.379 2.305 -0.584) 2.408 12.756 ( -1.569 -4.137 1.215) 4.588 12.756 ( -1.569 4.137 1.215) 4.588 12.958 ( 0.801 -3.665 -0.875) 3.852 12.958 ( 0.801 3.665 -0.875) 3.852 13.759 ( 0.857 -10.708 -6.513) 12.563 13.759 ( 0.857 10.708 -6.513) 12.563 14.009 ( 0.165 -3.082 -0.224) 3.095 14.009 ( 0.165 3.082 -0.224) 3.095 14.778 ( -0.748 -5.592 -4.232) 7.053 14.778 ( -0.748 5.592 -4.232) 7.053 15.182 ( 0.248 -7.033 7.735) 10.457 15.182 ( 0.248 7.033 7.735) 10.457 15.669 ( -0.332 -6.887 6.755) 9.652 15.669 ( -0.332 6.887 6.755) 9.652 16.326 ( -0.227 -5.594 5.941) 8.163 16.326 ( -0.227 5.594 5.941) 8.163 18.491 ( -0.086 -8.911 -4.482) 9.975 18.491 ( -0.086 8.911 -4.482) 9.975 19.122 ( 0.256 -3.452 0.207) 3.468 19.122 ( 0.256 3.452 0.207) 3.468 20.240 ( 0.077 -5.796 -2.794) 6.435 20.240 ( 0.077 5.796 -2.794) 6.435 ======================= Grid point 99 (43/114) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -7.711 0.000 16.646) 18.346 0.792 ( -3.092 0.000 13.063) 13.424 1.198 ( -0.035 0.000 0.580) 0.581 1.453 ( 5.307 0.000 28.472) 28.962 1.514 ( 2.249 0.000 14.381) 14.556 1.808 ( -3.634 0.000 26.397) 26.646 1.840 ( 1.262 0.000 1.157) 1.712 2.226 ( 0.003 0.000 -7.893) 7.893 2.416 ( -1.357 0.000 7.835) 7.952 2.458 ( -0.429 0.000 1.505) 1.565 2.513 ( 1.557 0.000 -0.058) 1.558 2.693 ( -1.338 0.000 4.163) 4.373 2.910 ( 1.139 0.000 0.712) 1.343 2.964 ( -0.296 0.000 1.916) 1.939 3.198 ( -0.234 0.000 -7.139) 7.143 3.330 ( -1.031 0.000 13.594) 13.633 3.526 ( -0.939 0.000 2.555) 2.722 3.643 ( -0.728 0.000 17.078) 17.094 3.658 ( 0.666 0.000 -10.154) 10.176 3.697 ( 0.467 0.000 -2.953) 2.990 4.417 ( -1.074 0.000 14.230) 14.271 4.567 ( 1.078 0.000 10.878) 10.932 4.668 ( -1.590 0.000 5.578) 5.800 4.845 ( -0.485 0.000 -1.704) 1.771 4.891 ( -0.668 0.000 0.598) 0.896 5.279 ( 0.209 0.000 -1.703) 1.716 5.695 ( -1.478 0.000 15.531) 15.601 5.796 ( 0.962 0.000 -10.402) 10.447 5.840 ( 0.105 0.000 -4.372) 4.373 5.877 ( -2.866 0.000 9.331) 9.762 6.154 ( 0.426 0.000 -9.790) 9.799 6.250 ( -1.166 0.000 -2.429) 2.695 6.338 ( 0.170 0.000 1.118) 1.131 6.502 ( -0.411 0.000 4.589) 4.607 6.759 ( -0.269 0.000 3.200) 3.212 6.932 ( -1.270 0.000 1.158) 1.719 7.235 ( 0.059 0.000 -6.212) 6.212 7.384 ( -1.017 0.000 8.308) 8.370 7.431 ( 0.342 0.000 -2.644) 2.666 7.905 ( 0.742 0.000 -15.988) 16.005 8.201 ( -3.930 0.000 3.748) 5.430 9.078 ( 0.240 0.000 -5.769) 5.774 12.276 ( -0.810 0.000 -1.603) 1.796 12.282 ( 8.286 0.000 -1.384) 8.401 12.614 ( 3.423 0.000 -2.264) 4.103 12.762 ( -0.379 0.000 4.062) 4.080 12.945 ( 0.885 0.000 -0.804) 1.196 13.521 ( 24.804 0.000 -1.642) 24.858 13.629 ( -0.252 0.000 1.542) 1.563 13.924 ( -6.060 0.000 5.423) 8.132 14.213 ( -0.261 0.000 5.044) 5.051 14.358 ( 0.907 0.000 6.284) 6.349 14.896 ( -0.126 0.000 5.753) 5.754 14.978 ( -21.357 0.000 17.952) 27.900 15.817 ( 15.606 0.000 -37.166) 40.309 15.853 ( -3.489 0.000 -3.658) 5.055 16.313 ( 7.305 0.000 -4.639) 8.654 16.703 ( -3.856 0.000 3.512) 5.216 16.846 ( -5.494 0.000 -19.274) 20.042 17.055 ( 14.177 0.000 -4.803) 14.969 17.731 ( -17.717 0.000 9.905) 20.298 18.248 ( 1.126 0.000 8.941) 9.012 18.599 ( 0.652 0.000 -3.529) 3.589 19.225 ( 0.188 0.000 -8.227) 8.229 19.490 ( -1.609 0.000 20.004) 20.068 20.452 ( 0.106 0.000 -2.142) 2.145 ======================= Grid point 100 (44/114) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 6.118 0.000 11.270) 12.824 0.809 ( 3.633 0.000 10.091) 10.725 1.132 ( -6.006 0.000 6.966) 9.198 1.477 ( -6.706 0.000 16.624) 17.926 1.539 ( -0.772 0.000 21.668) 21.682 1.786 ( -0.300 0.000 30.040) 30.041 1.863 ( 0.270 0.000 1.952) 1.970 2.228 ( 0.964 0.000 -9.189) 9.240 2.372 ( -2.957 0.000 3.985) 4.962 2.472 ( 1.458 0.000 1.819) 2.331 2.499 ( -2.337 0.000 2.809) 3.654 2.673 ( -0.677 0.000 4.189) 4.243 2.907 ( -0.928 0.000 -0.344) 0.990 2.983 ( 1.174 0.000 3.821) 3.998 3.197 ( 0.818 0.000 -7.050) 7.097 3.331 ( -0.116 0.000 13.541) 13.541 3.517 ( 0.115 0.000 1.057) 1.063 3.633 ( -1.243 0.000 -9.842) 9.921 3.637 ( -1.257 0.000 17.906) 17.950 3.725 ( 1.594 0.000 -3.211) 3.585 4.396 ( -1.968 0.000 14.990) 15.119 4.566 ( -2.049 0.000 10.054) 10.261 4.670 ( 1.179 0.000 6.373) 6.481 4.839 ( 0.141 0.000 -1.913) 1.919 4.883 ( -0.152 0.000 0.929) 0.941 5.287 ( 0.705 0.000 -2.591) 2.685 5.686 ( -0.513 0.000 15.707) 15.715 5.803 ( 0.540 0.000 -10.622) 10.636 5.837 ( 0.021 0.000 -4.238) 4.238 5.868 ( 0.763 0.000 11.949) 11.973 6.154 ( 0.466 0.000 -9.661) 9.672 6.237 ( 0.075 0.000 -1.284) 1.286 6.342 ( 0.098 0.000 1.180) 1.184 6.499 ( -0.306 0.000 4.659) 4.669 6.755 ( -0.365 0.000 3.089) 3.110 6.909 ( -0.742 0.000 0.809) 1.098 7.229 ( 0.021 0.000 -6.094) 6.094 7.422 ( 3.024 0.000 8.258) 8.795 7.439 ( 0.574 0.000 -2.664) 2.725 7.905 ( 0.713 0.000 -15.988) 16.003 8.162 ( -0.247 0.000 7.202) 7.207 9.077 ( 0.218 0.000 -5.793) 5.797 12.202 ( -10.009 0.000 -2.263) 10.262 12.266 ( 0.048 0.000 -1.738) 1.738 12.707 ( 3.273 0.000 -0.080) 3.274 12.760 ( -0.247 0.000 4.628) 4.634 12.952 ( -0.156 0.000 -1.039) 1.051 13.623 ( -0.444 0.000 1.498) 1.563 13.742 ( -7.090 0.000 -1.223) 7.195 14.213 ( -0.181 0.000 4.980) 4.983 14.235 ( 26.627 0.000 -17.419) 31.819 14.415 ( 13.499 0.000 -4.932) 14.372 14.595 ( -19.882 0.000 15.513) 25.218 14.915 ( 1.170 0.000 6.280) 6.388 15.805 ( -0.504 0.000 -6.302) 6.322 16.105 ( 16.841 0.000 -30.970) 35.253 16.361 ( -3.079 0.000 -0.709) 3.159 16.626 ( -17.978 0.000 -8.322) 19.811 16.692 ( 3.099 0.000 1.509) 3.447 17.161 ( -6.670 0.000 -0.738) 6.711 17.516 ( 3.723 0.000 7.116) 8.032 18.336 ( 5.167 0.000 7.999) 9.523 18.601 ( -0.172 0.000 -3.383) 3.387 19.225 ( 0.557 0.000 -8.271) 8.290 19.501 ( 0.633 0.000 20.054) 20.064 20.452 ( 0.082 0.000 -2.135) 2.137 ======================= Grid point 101 (45/114) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 11.235 0.000 5.312) 12.427 0.902 ( 3.526 0.000 2.615) 4.390 1.029 ( -5.075 0.000 11.405) 12.483 1.360 ( -4.913 0.000 22.256) 22.792 1.451 ( -8.310 0.000 22.808) 24.275 1.836 ( 1.370 0.000 29.497) 29.529 1.849 ( -1.381 0.000 1.639) 2.143 2.237 ( 0.571 0.000 -8.109) 8.129 2.337 ( -0.355 0.000 1.961) 1.992 2.472 ( -0.484 0.000 3.953) 3.982 2.492 ( 0.158 0.000 0.378) 0.410 2.683 ( 1.133 0.000 3.948) 4.107 2.890 ( -0.646 0.000 -1.257) 1.413 2.995 ( -0.367 0.000 4.807) 4.821 3.210 ( 0.846 0.000 -6.158) 6.216 3.341 ( -0.346 0.000 15.022) 15.026 3.528 ( 0.702 0.000 -0.236) 0.740 3.613 ( 0.217 0.000 -9.828) 9.831 3.633 ( -0.700 0.000 17.059) 17.073 3.736 ( -0.187 0.000 -3.349) 3.354 4.383 ( -0.505 0.000 15.076) 15.085 4.536 ( -1.410 0.000 8.592) 8.707 4.696 ( 0.453 0.000 7.696) 7.709 4.846 ( 0.633 0.000 -1.642) 1.760 4.886 ( 0.359 0.000 2.114) 2.145 5.295 ( 0.231 0.000 -2.971) 2.980 5.695 ( -0.201 0.000 15.385) 15.387 5.798 ( -0.012 0.000 -10.828) 10.828 5.836 ( 0.286 0.000 -4.149) 4.159 5.904 ( 1.462 0.000 10.804) 10.902 6.154 ( 0.458 0.000 -9.760) 9.771 6.249 ( 1.159 0.000 -1.653) 2.019 6.342 ( -0.268 0.000 1.018) 1.053 6.499 ( -0.050 0.000 4.710) 4.711 6.754 ( -0.019 0.000 3.232) 3.232 6.910 ( 0.705 0.000 1.666) 1.809 7.228 ( 0.477 0.000 -6.041) 6.059 7.442 ( -0.081 0.000 -2.755) 2.757 7.470 ( 0.828 0.000 2.938) 3.053 7.905 ( 0.702 0.000 -16.003) 16.018 8.200 ( 3.081 0.000 8.374) 8.923 9.077 ( 0.281 0.000 -5.778) 5.785 12.013 ( -8.054 0.000 -4.545) 9.247 12.276 ( 0.939 0.000 -1.265) 1.575 12.729 ( -1.117 0.000 2.771) 2.988 12.762 ( -0.002 0.000 5.122) 5.122 12.940 ( -0.805 0.000 -1.791) 1.964 13.567 ( -10.906 0.000 2.818) 11.265 13.620 ( 0.120 0.000 1.525) 1.529 14.214 ( -0.191 0.000 4.996) 4.999 14.279 ( -13.827 0.000 9.858) 16.982 14.334 ( -0.775 0.000 6.695) 6.740 14.917 ( 25.503 0.000 -30.126) 39.471 14.930 ( -0.480 0.000 6.818) 6.835 15.835 ( 4.129 0.000 -6.348) 7.572 16.115 ( -22.983 0.000 0.865) 22.999 16.255 ( -6.082 0.000 -2.966) 6.767 16.467 ( 13.998 0.000 -23.916) 27.711 16.761 ( 2.506 0.000 3.594) 4.382 17.028 ( -4.886 0.000 -9.279) 10.487 17.689 ( 9.582 0.000 9.060) 13.187 18.403 ( 0.610 0.000 3.017) 3.078 18.591 ( -0.305 0.000 -4.139) 4.150 19.229 ( 0.536 0.000 -7.923) 7.941 19.528 ( -0.022 0.000 18.505) 18.505 20.451 ( 0.088 0.000 -2.145) 2.147 ======================= Grid point 102 (46/114) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -10.399 0.000 15.627) 18.771 0.878 ( -5.471 0.000 7.094) 8.958 1.110 ( 8.823 0.000 -0.923) 8.871 1.371 ( -0.794 0.000 29.185) 29.196 1.400 ( 6.063 0.000 18.421) 19.393 1.831 ( -0.416 0.000 0.966) 1.051 1.850 ( -2.538 0.000 26.911) 27.031 2.235 ( -0.083 0.000 -7.049) 7.049 2.377 ( 3.791 0.000 5.409) 6.606 2.479 ( -1.368 0.000 0.323) 1.406 2.480 ( 0.876 0.000 2.140) 2.312 2.702 ( 0.157 0.000 3.759) 3.762 2.887 ( 0.612 0.000 -0.850) 1.047 2.982 ( -1.245 0.000 3.585) 3.795 3.211 ( -0.230 0.000 -6.222) 6.227 3.340 ( -1.079 0.000 14.820) 14.859 3.535 ( -0.115 0.000 1.867) 1.871 3.627 ( 2.106 0.000 -9.150) 9.389 3.637 ( -0.384 0.000 15.919) 15.924 3.718 ( -1.246 0.000 -4.083) 4.269 4.403 ( 0.890 0.000 14.508) 14.535 4.536 ( 0.652 0.000 9.108) 9.131 4.694 ( -1.270 0.000 7.224) 7.335 4.852 ( 0.014 0.000 -1.439) 1.439 4.896 ( 0.208 0.000 1.854) 1.866 5.287 ( -0.710 0.000 -2.258) 2.367 5.701 ( -0.604 0.000 15.370) 15.382 5.791 ( 0.431 0.000 -10.680) 10.688 5.839 ( 0.353 0.000 -4.215) 4.230 5.919 ( -1.194 0.000 8.118) 8.205 6.154 ( 0.415 0.000 -9.893) 9.902 6.265 ( 0.310 0.000 -2.953) 2.969 6.337 ( -0.193 0.000 0.962) 0.981 6.503 ( -0.074 0.000 4.642) 4.643 6.758 ( 0.073 0.000 3.342) 3.343 6.931 ( 1.010 0.000 2.524) 2.719 7.234 ( 0.549 0.000 -6.154) 6.179 7.434 ( -0.347 0.000 -2.740) 2.762 7.442 ( -3.748 0.000 1.423) 4.009 7.905 ( 0.731 0.000 -16.004) 16.020 8.249 ( 0.062 0.000 3.970) 3.970 9.077 ( 0.303 0.000 -5.754) 5.762 11.994 ( 9.628 0.000 -0.507) 9.641 12.287 ( 0.082 0.000 -1.111) 1.114 12.667 ( -5.244 0.000 3.438) 6.271 12.765 ( -0.201 0.000 4.549) 4.554 12.931 ( 0.312 0.000 -1.568) 1.599 13.389 ( -6.079 0.000 8.338) 10.319 13.627 ( 0.299 0.000 1.568) 1.596 14.068 ( -9.568 0.000 7.477) 12.142 14.214 ( -0.274 0.000 5.060) 5.068 14.338 ( 0.432 0.000 6.488) 6.503 14.911 ( -1.697 0.000 6.244) 6.470 15.210 ( 3.405 0.000 -3.137) 4.630 15.727 ( -10.209 0.000 -19.261) 21.799 15.897 ( 0.677 0.000 -2.495) 2.585 16.199 ( 2.512 0.000 -7.333) 7.751 16.752 ( 16.500 0.000 -19.503) 25.546 16.767 ( -2.272 0.000 4.873) 5.377 16.948 ( -3.085 0.000 -11.781) 12.178 17.837 ( 3.941 0.000 11.757) 12.400 18.340 ( -7.476 0.000 0.934) 7.535 18.589 ( 0.517 0.000 -4.284) 4.315 19.229 ( 0.176 0.000 -7.881) 7.883 19.520 ( -2.464 0.000 18.143) 18.309 20.451 ( 0.112 0.000 -2.152) 2.155 ======================= Grid point 103 (47/114) ======================= q-point: ( 0.00 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 4.850 5.444 12.557) 14.520 0.951 ( -7.945 10.779 12.007) 17.986 1.148 ( 0.672 -3.440 2.286) 4.184 1.370 ( 2.026 -3.747 17.268) 17.785 1.490 ( -1.777 -2.418 17.449) 17.706 1.909 ( 0.312 6.222 2.620) 6.758 2.007 ( -0.518 14.823 19.143) 24.217 2.281 ( 0.731 3.890 -5.008) 6.383 2.366 ( -1.358 -4.016 8.581) 9.571 2.428 ( 0.141 -2.722 1.758) 3.244 2.466 ( 0.523 -3.831 0.015) 3.867 2.644 ( 0.366 -3.575 5.029) 6.181 2.921 ( 1.185 1.101 -0.525) 1.701 2.976 ( -0.395 0.173 2.685) 2.720 3.210 ( -0.696 0.675 -6.760) 6.829 3.427 ( -0.627 7.646 6.744) 10.214 3.540 ( -0.957 2.333 9.429) 9.760 3.623 ( 0.214 -0.256 5.638) 5.648 3.699 ( 0.162 2.422 2.655) 3.598 3.751 ( 0.142 5.010 -5.992) 7.812 4.178 ( -1.195 -14.343 15.396) 21.076 4.646 ( 0.779 0.240 3.961) 4.044 4.722 ( -0.710 4.597 4.349) 6.368 4.834 ( -0.098 -0.981 -2.148) 2.363 4.950 ( -1.524 5.613 4.465) 7.332 5.237 ( 0.174 -4.013 -2.545) 4.756 5.644 ( -1.163 -3.132 13.264) 13.678 5.755 ( 0.600 -3.514 -5.659) 6.688 5.880 ( 0.644 2.687 2.481) 3.713 5.931 ( -2.131 2.281 -2.478) 3.986 6.134 ( 0.106 -0.520 -4.689) 4.719 6.248 ( -0.079 -0.316 -3.880) 3.894 6.320 ( -0.354 -1.214 1.275) 1.796 6.571 ( -0.298 5.292 2.784) 5.987 6.740 ( -0.225 -2.725 2.567) 3.751 6.874 ( -0.816 -3.874 -0.668) 4.015 7.229 ( 0.151 -0.642 -6.179) 6.214 7.356 ( 0.773 -0.351 8.177) 8.221 7.519 ( -0.532 5.324 -2.754) 6.018 7.944 ( 0.357 2.609 -14.042) 14.286 8.169 ( -3.364 -2.139 3.936) 5.602 9.081 ( 0.197 0.076 -5.172) 5.176 12.240 ( 8.204 -1.444 -0.934) 8.382 12.316 ( 0.759 1.877 -1.038) 2.275 12.563 ( 0.473 -2.490 1.929) 3.185 12.821 ( -2.042 3.184 -0.872) 3.882 12.959 ( 0.275 1.320 -0.720) 1.529 13.441 ( 13.532 -5.280 0.604) 14.539 13.642 ( 3.630 -0.648 0.838) 3.782 13.900 ( -8.198 -3.203 5.777) 10.528 14.199 ( 0.037 -0.951 3.544) 3.670 14.345 ( 0.093 -2.293 9.550) 9.822 14.760 ( -1.789 -6.846 -1.328) 7.199 15.062 ( -12.646 3.750 17.068) 21.571 15.456 ( 12.729 -17.658 -20.749) 30.072 16.054 ( -2.403 1.004 -2.319) 3.488 16.184 ( 0.067 -5.549 -6.394) 8.467 16.471 ( -0.711 -15.389 -5.463) 16.346 16.904 ( 2.593 -7.078 -8.578) 11.419 16.962 ( 1.151 -0.870 -1.565) 2.129 17.824 ( -1.124 2.008 6.831) 7.209 18.305 ( -1.805 8.247 3.885) 9.293 18.671 ( -0.865 5.649 -5.396) 7.860 19.234 ( -0.607 0.955 -3.909) 4.070 19.565 ( -0.743 6.298 13.401) 14.826 20.450 ( -0.033 -0.344 -2.464) 2.488 ======================= Grid point 104 (48/114) ======================= q-point: ( 0.25 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -2.293 10.229 10.552) 14.874 0.897 ( 7.888 8.314 7.658) 13.783 1.103 ( -4.872 -2.717 4.972) 7.473 1.309 ( -8.733 -9.252 18.366) 22.342 1.529 ( 2.568 -0.312 17.367) 17.558 1.923 ( 0.688 6.546 3.910) 7.656 2.025 ( 0.238 14.343 18.871) 23.705 2.271 ( -1.278 3.454 -5.712) 6.797 2.318 ( -3.074 -3.774 5.168) 7.099 2.442 ( -0.561 -2.101 -0.168) 2.181 2.472 ( 1.382 -3.635 5.373) 6.632 2.639 ( -1.386 -2.250 4.901) 5.568 2.926 ( -0.510 1.511 -0.895) 1.829 2.994 ( 1.384 -0.098 3.565) 3.825 3.198 ( 0.364 0.170 -7.069) 7.080 3.434 ( 0.594 7.872 6.786) 10.410 3.532 ( -0.504 2.382 9.187) 9.504 3.617 ( -1.187 -0.040 3.643) 3.831 3.675 ( -1.929 2.535 3.493) 4.727 3.774 ( 1.675 4.336 -4.444) 6.431 4.163 ( -1.429 -13.955 15.209) 20.690 4.660 ( -0.134 0.016 4.322) 4.324 4.711 ( -0.459 5.107 4.425) 6.773 4.831 ( -0.000 -0.887 -2.029) 2.214 4.935 ( -0.229 5.317 4.854) 7.203 5.240 ( 0.421 -4.433 -3.265) 5.522 5.647 ( 0.133 -2.560 13.367) 13.610 5.762 ( 0.439 -3.663 -5.762) 6.842 5.893 ( -1.024 2.795 3.359) 4.488 5.909 ( 1.551 3.017 -1.662) 3.778 6.131 ( 0.059 -0.712 -4.446) 4.503 6.241 ( -0.133 -0.311 -3.739) 3.755 6.321 ( 0.279 -1.169 1.684) 2.069 6.569 ( -0.129 5.492 3.079) 6.298 6.735 ( -0.420 -2.948 2.313) 3.771 6.858 ( -0.446 -3.191 -0.878) 3.339 7.225 ( 0.024 -0.567 -6.066) 6.093 7.389 ( 1.197 -1.169 6.501) 6.713 7.514 ( 0.401 4.949 -1.748) 5.264 7.943 ( 0.798 2.696 -13.734) 14.018 8.135 ( -0.270 -1.802 7.335) 7.558 9.082 ( 0.316 0.184 -5.209) 5.221 12.219 ( -8.859 1.573 -1.684) 9.154 12.288 ( 0.342 2.005 -1.431) 2.487 12.679 ( 6.683 -1.999 1.217) 7.081 12.772 ( -2.500 0.532 1.826) 3.141 12.960 ( -0.158 0.913 -1.112) 1.448 13.571 ( -0.107 -4.807 0.451) 4.829 13.706 ( -5.855 -3.016 -2.679) 7.110 14.040 ( 26.074 -18.068 -10.106) 33.293 14.205 ( 0.879 -1.422 2.196) 2.760 14.348 ( -0.671 -2.319 9.624) 9.922 14.605 ( -13.991 1.560 5.985) 15.297 14.957 ( 0.450 2.793 7.174) 7.711 15.651 ( 8.324 -13.132 -13.587) 20.648 15.977 ( -8.074 -13.772 7.663) 17.708 16.155 ( 2.133 -1.483 -10.800) 11.108 16.518 ( 4.908 -11.718 -10.942) 16.767 16.752 ( -9.532 0.104 -3.675) 10.216 17.152 ( 9.244 -8.835 -1.723) 12.903 17.757 ( -4.873 15.538 0.108) 16.285 18.294 ( 0.279 3.869 8.722) 9.546 18.665 ( 0.726 3.180 -4.264) 5.369 19.230 ( 0.563 0.830 -3.853) 3.982 19.577 ( 0.535 6.244 13.293) 14.696 20.450 ( 0.211 -0.336 -2.459) 2.491 ======================= Grid point 105 (49/114) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -2.240 -2.139 5.998) 6.750 0.995 ( -2.702 -2.118 5.168) 6.205 1.091 ( 4.299 6.811 9.269) 12.280 1.205 ( 0.127 -2.846 21.883) 22.067 1.541 ( -2.768 3.394 15.661) 16.262 1.933 ( -0.396 6.898 3.813) 7.891 2.034 ( -1.167 14.888 21.705) 26.346 2.249 ( 0.178 0.527 -7.038) 7.060 2.284 ( -0.392 -3.331 2.912) 4.441 2.430 ( 0.078 -2.564 1.159) 2.815 2.495 ( -0.573 -2.021 4.563) 5.023 2.620 ( -0.441 -3.868 4.976) 6.318 2.913 ( -0.620 1.817 -1.116) 2.220 3.007 ( -0.418 0.099 3.939) 3.963 3.211 ( 1.349 -0.180 -6.470) 6.611 3.448 ( -0.083 8.569 8.305) 11.933 3.539 ( 0.274 1.996 7.084) 7.365 3.599 ( -0.432 -0.714 0.545) 0.997 3.653 ( -0.587 1.872 7.670) 7.917 3.788 ( 0.179 4.804 -5.421) 7.246 4.160 ( -0.206 -13.385 15.179) 20.239 4.645 ( -1.261 2.337 3.481) 4.378 4.717 ( 0.295 2.766 5.723) 6.363 4.833 ( 0.371 -0.918 -1.935) 2.174 4.947 ( 0.854 5.608 5.553) 7.938 5.245 ( 0.238 -4.852 -3.586) 6.038 5.659 ( -0.230 -2.601 13.063) 13.321 5.760 ( -0.049 -3.451 -6.549) 7.402 5.879 ( -0.408 2.747 -0.834) 2.899 5.945 ( 1.705 2.378 2.417) 3.795 6.131 ( 0.300 -0.908 -4.397) 4.500 6.241 ( 0.397 -0.843 -3.772) 3.886 6.328 ( 0.209 -0.821 1.566) 1.780 6.571 ( 0.004 5.627 3.067) 6.409 6.732 ( -0.018 -2.972 2.481) 3.871 6.860 ( 0.646 -3.380 -0.255) 3.451 7.223 ( 0.401 -0.565 -5.978) 6.018 7.393 ( -1.180 -2.480 3.355) 4.336 7.527 ( 0.772 3.927 -1.859) 4.413 7.948 ( 0.841 2.710 -13.566) 13.860 8.168 ( 2.618 -1.997 7.891) 8.550 9.083 ( 0.293 0.264 -5.222) 5.237 12.049 ( -7.234 3.329 -3.624) 8.749 12.299 ( 0.774 2.110 -1.091) 2.498 12.717 ( -2.731 -0.972 2.780) 4.017 12.780 ( 3.037 1.083 2.491) 4.074 12.953 ( -0.360 1.328 -1.716) 2.199 13.511 ( -7.408 -4.510 4.131) 9.607 13.611 ( -1.812 -1.036 -0.721) 2.208 14.191 ( -0.248 -2.070 4.122) 4.620 14.314 ( -10.742 0.076 7.054) 12.851 14.347 ( -3.405 -3.023 7.409) 8.696 14.506 ( 17.521 -21.080 -12.186) 29.998 15.024 ( 5.848 1.158 -4.100) 7.235 15.664 ( -11.168 -9.150 8.290) 16.649 15.859 ( 2.990 -12.489 -2.898) 13.165 16.268 ( 7.024 -5.746 -16.794) 19.089 16.557 ( -3.938 -0.479 -11.836) 12.483 16.614 ( 0.427 -9.181 1.869) 9.379 17.222 ( -1.935 3.246 -8.195) 9.024 17.719 ( 1.389 8.029 8.034) 11.443 18.315 ( 0.981 -1.568 4.831) 5.173 18.683 ( 1.246 4.453 -4.548) 6.486 19.243 ( 0.898 1.502 -4.363) 4.701 19.593 ( -0.337 5.523 12.902) 14.039 20.453 ( 0.266 -0.165 -2.666) 2.685 ======================= Grid point 106 (50/114) ======================= q-point: (-0.25 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -4.167 -4.420 11.024) 12.587 1.019 ( 2.245 -0.274 3.256) 3.964 1.106 ( -0.159 2.538 16.857) 17.048 1.307 ( 3.761 2.539 12.621) 13.412 1.498 ( -1.593 3.092 17.245) 17.592 1.915 ( -1.196 6.778 2.867) 7.456 2.019 ( -2.195 14.329 20.973) 25.496 2.262 ( 1.471 1.785 -6.048) 6.476 2.324 ( 3.640 -4.095 5.336) 7.648 2.446 ( 0.969 -3.046 1.906) 3.721 2.460 ( -2.542 -2.196 1.676) 3.754 2.629 ( 0.568 -4.799 5.213) 7.108 2.907 ( 0.159 1.560 -0.892) 1.804 2.993 ( -1.234 0.130 3.201) 3.433 3.222 ( 0.177 0.339 -6.149) 6.161 3.441 ( -1.224 8.136 7.851) 11.372 3.545 ( -0.325 1.981 8.002) 8.250 3.607 ( 0.838 -0.781 2.543) 2.789 3.669 ( 1.499 2.127 6.132) 6.661 3.774 ( -1.035 5.209 -6.450) 8.355 4.174 ( 0.069 -13.751 15.393) 20.641 4.634 ( -0.056 1.834 3.424) 3.885 4.725 ( -0.039 2.951 5.435) 6.185 4.837 ( 0.095 -0.961 -2.032) 2.250 4.963 ( -0.010 5.910 5.270) 7.918 5.240 ( -0.274 -4.534 -2.941) 5.411 5.658 ( -1.121 -3.038 12.982) 13.380 5.753 ( 0.116 -3.340 -6.522) 7.328 5.874 ( -0.031 2.581 -0.188) 2.588 5.961 ( -0.448 1.595 0.053) 1.657 6.134 ( 0.354 -0.700 -4.617) 4.683 6.247 ( 0.500 -0.940 -3.829) 3.975 6.328 ( -0.382 -0.858 0.999) 1.371 6.573 ( -0.106 5.406 2.792) 6.086 6.737 ( 0.208 -2.753 2.733) 3.885 6.876 ( 0.687 -3.960 0.190) 4.023 7.228 ( 0.520 -0.633 -6.061) 6.117 7.363 ( -1.809 -2.043 4.674) 5.412 7.530 ( -0.222 4.289 -2.972) 5.223 7.949 ( 0.489 2.604 -13.730) 13.984 8.209 ( -0.020 -2.656 3.901) 4.719 9.083 ( 0.134 0.156 -5.215) 5.219 12.023 ( 6.818 3.007 -0.825) 7.497 12.308 ( 0.273 1.928 -1.017) 2.197 12.641 ( -5.539 -1.745 3.698) 6.885 12.825 ( 1.482 3.658 0.145) 3.950 12.951 ( 0.451 1.887 -1.282) 2.325 13.370 ( -5.361 -1.753 7.783) 9.612 13.611 ( 0.924 -1.279 0.546) 1.669 14.082 ( -11.368 -1.091 7.159) 13.479 14.196 ( -0.120 -0.800 3.354) 3.450 14.337 ( -0.295 -2.228 9.591) 9.850 14.723 ( 6.135 -15.316 -3.963) 16.968 15.163 ( 7.922 -4.455 -9.393) 13.071 15.405 ( -12.705 -9.851 6.668) 17.405 15.989 ( 8.264 -5.672 -4.421) 10.955 16.251 ( -5.822 1.686 -13.879) 15.145 16.509 ( -1.186 -14.091 -1.304) 14.201 16.712 ( 9.584 -7.771 -6.418) 13.908 17.107 ( -7.996 7.316 -9.497) 14.411 17.787 ( 3.394 -1.828 12.785) 13.354 18.327 ( -0.294 1.113 0.964) 1.502 18.690 ( -0.202 6.737 -5.839) 8.918 19.248 ( -0.101 1.706 -4.555) 4.865 19.582 ( -1.824 5.504 12.915) 14.157 20.453 ( 0.020 -0.173 -2.693) 2.698 ======================= Grid point 107 (51/114) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 10.795 13.327 3.260) 17.458 1.069 ( 2.102 0.891 -0.918) 2.460 1.205 ( -6.145 7.840 11.505) 15.219 1.320 ( -3.667 0.759 10.428) 11.080 1.508 ( -3.166 4.651 12.106) 13.349 2.042 ( -0.255 6.084 0.965) 6.165 2.282 ( -0.200 1.752 2.107) 2.747 2.284 ( -1.647 -0.040 10.789) 10.914 2.317 ( 2.565 0.152 -1.445) 2.948 2.345 ( -1.546 -3.420 2.356) 4.431 2.408 ( 1.872 -0.703 1.359) 2.418 2.608 ( 0.592 1.975 10.816) 11.011 2.931 ( 0.740 -2.088 2.736) 3.520 2.982 ( -0.573 2.715 0.620) 2.843 3.191 ( 0.033 -3.024 -7.368) 7.964 3.519 ( -1.082 1.648 -0.388) 2.009 3.619 ( 1.653 0.620 1.219) 2.146 3.689 ( -1.390 4.800 14.039) 14.902 3.783 ( -0.752 10.109 12.944) 16.441 3.829 ( -0.598 -3.320 3.704) 5.010 3.999 ( 0.320 4.361 -2.569) 5.072 4.647 ( 0.575 0.146 1.055) 1.211 4.779 ( -0.100 1.652 1.558) 2.273 4.809 ( -0.403 -1.181 -1.799) 2.190 5.048 ( -1.337 -0.723 0.339) 1.557 5.147 ( 0.138 -0.906 0.878) 1.269 5.589 ( -0.590 -2.298 10.920) 11.175 5.663 ( 0.242 -5.349 -4.184) 6.796 5.884 ( 0.744 -4.240 -9.013) 9.989 5.962 ( -0.647 3.504 6.331) 7.265 6.134 ( -0.057 -1.579 -1.369) 2.090 6.227 ( 0.104 -1.658 -3.151) 3.562 6.298 ( -0.457 -1.008 1.355) 1.749 6.582 ( -0.058 -9.905 -0.010) 9.905 6.700 ( -0.328 5.189 0.354) 5.212 6.872 ( 0.193 3.855 -1.908) 4.305 7.206 ( 0.125 -1.616 -6.172) 6.382 7.383 ( 0.571 2.768 7.230) 7.763 7.610 ( 0.063 3.323 -1.609) 3.692 7.945 ( 0.308 -3.128 -5.828) 6.622 8.173 ( -2.139 3.293 1.161) 4.095 9.069 ( 0.198 -1.522 -3.503) 3.824 12.241 ( 7.327 1.556 -0.549) 7.511 12.358 ( -0.693 2.228 -0.631) 2.418 12.534 ( -0.558 -0.556 2.522) 2.642 12.861 ( -3.030 0.856 -3.112) 4.428 12.991 ( -0.442 1.372 -0.064) 1.442 13.338 ( 5.273 -4.961 -0.364) 7.249 13.576 ( 0.579 -5.927 6.554) 8.855 13.788 ( -6.551 -5.685 -1.226) 8.760 14.170 ( -0.104 -2.465 0.944) 2.642 14.269 ( 1.219 -3.756 8.161) 9.067 14.678 ( 4.029 -2.132 -8.050) 9.251 15.119 ( -8.995 -0.344 10.799) 14.059 15.160 ( 6.513 -8.188 -7.074) 12.630 15.932 ( 3.475 -10.462 0.846) 11.056 16.077 ( -2.261 -8.407 -6.507) 10.869 16.212 ( -3.334 -6.327 2.225) 7.490 16.626 ( 6.337 -15.448 1.534) 16.767 16.933 ( -7.051 -5.275 -0.660) 8.831 17.858 ( 1.270 4.169 8.656) 9.691 18.482 ( 5.620 6.166 -3.702) 9.127 18.810 ( -3.554 7.499 -6.953) 10.826 19.258 ( -1.312 1.016 0.411) 1.709 19.715 ( -0.135 7.745 4.667) 9.044 20.428 ( 0.023 -1.950 -3.057) 3.626 ======================= Grid point 108 (52/114) ======================= q-point: ( 0.25 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -12.239 2.860 5.157) 13.585 1.058 ( -2.055 3.230 2.904) 4.805 1.124 ( 6.598 13.284 5.551) 15.837 1.247 ( -2.566 5.789 10.958) 12.655 1.545 ( 3.975 1.925 12.023) 12.809 2.047 ( 0.588 4.859 0.635) 4.935 2.235 ( -3.277 -0.258 7.193) 7.909 2.269 ( -0.686 2.342 -1.633) 2.936 2.327 ( -0.990 -0.516 -1.564) 1.922 2.362 ( 1.523 -4.178 7.249) 8.504 2.439 ( 0.714 1.494 4.128) 4.448 2.619 ( -0.862 2.479 11.458) 11.755 2.956 ( 0.757 -3.271 4.837) 5.888 2.971 ( 0.033 3.155 -1.543) 3.512 3.180 ( -0.306 -2.651 -7.735) 8.182 3.504 ( -0.305 0.399 1.032) 1.147 3.629 ( -0.482 1.187 -3.647) 3.866 3.678 ( -0.939 2.631 16.165) 16.404 3.764 ( -1.707 11.886 15.756) 19.810 3.848 ( 1.424 -2.496 3.116) 4.239 3.999 ( -0.083 5.085 -3.349) 6.089 4.665 ( 0.815 0.583 1.681) 1.957 4.768 ( -0.814 1.506 0.715) 1.855 4.805 ( 0.061 -1.481 -1.499) 2.109 5.041 ( 0.641 0.595 1.746) 1.953 5.135 ( -1.099 -2.211 -0.146) 2.473 5.595 ( 0.089 -2.595 10.576) 10.890 5.666 ( 0.422 -5.269 -4.117) 6.700 5.884 ( 0.065 -3.985 -8.333) 9.237 5.973 ( 0.982 3.972 6.183) 7.414 6.128 ( -0.379 -1.607 -1.181) 2.030 6.221 ( -0.227 -1.309 -3.360) 3.613 6.298 ( 0.229 -1.403 2.009) 2.461 6.582 ( 0.099 -10.155 -0.176) 10.157 6.695 ( -0.140 5.805 0.502) 5.828 6.868 ( -0.330 4.137 -2.220) 4.707 7.203 ( 0.150 -1.575 -6.068) 6.271 7.391 ( -0.414 1.622 5.846) 6.081 7.608 ( -0.099 3.600 -1.381) 3.857 7.947 ( 0.299 -3.174 -5.621) 6.462 8.153 ( 0.177 4.344 3.517) 5.592 9.071 ( 0.298 -1.505 -3.557) 3.873 12.256 ( -5.854 1.727 -0.685) 6.141 12.341 ( 0.798 3.027 -0.940) 3.269 12.640 ( 8.843 -1.673 0.352) 9.006 12.777 ( -4.824 0.348 0.384) 4.851 12.990 ( 0.166 1.647 -1.077) 1.975 13.431 ( 1.869 -8.565 -3.317) 9.373 13.615 ( 0.644 -8.211 0.926) 8.288 13.716 ( 3.069 -7.159 1.564) 7.945 14.168 ( -0.194 -2.706 1.046) 2.907 14.295 ( 0.656 -3.242 6.321) 7.134 14.650 ( -6.683 2.054 -1.874) 7.238 15.010 ( -1.981 2.171 6.908) 7.507 15.327 ( 11.038 -16.024 -11.863) 22.788 15.802 ( -12.836 -5.641 13.917) 19.755 16.113 ( 2.070 -2.715 -3.148) 4.643 16.241 ( 6.504 -13.416 -11.577) 18.877 16.629 ( -6.523 -11.860 3.247) 13.920 16.931 ( 6.765 -9.732 1.969) 12.015 17.895 ( 1.450 3.486 5.419) 6.604 18.568 ( 0.455 15.072 -3.171) 15.408 18.696 ( -4.035 0.804 -4.681) 6.232 19.257 ( 1.090 1.354 -0.258) 1.757 19.722 ( 0.328 7.422 4.806) 8.848 20.429 ( 0.320 -1.859 -3.073) 3.606 ======================= Grid point 109 (53/114) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -8.235 4.949 5.678) 11.160 0.999 ( -2.362 5.813 4.393) 7.660 1.159 ( 0.067 3.669 13.126) 13.629 1.334 ( 5.856 9.605 5.173) 12.382 1.609 ( 0.959 3.222 10.542) 11.065 2.063 ( 0.828 4.118 1.972) 4.641 2.200 ( -0.681 -1.454 1.986) 2.554 2.256 ( -0.113 0.662 -4.306) 4.358 2.305 ( -0.791 2.447 3.557) 4.389 2.390 ( 0.429 -0.524 9.478) 9.502 2.432 ( -1.741 -1.531 2.222) 3.211 2.599 ( -1.726 3.879 12.065) 12.790 2.949 ( -0.975 -0.389 1.627) 1.936 2.987 ( 0.532 0.275 1.198) 1.339 3.176 ( 0.688 -3.696 -7.422) 8.320 3.513 ( 1.079 -0.544 1.158) 1.674 3.607 ( -1.366 1.349 -2.802) 3.397 3.686 ( 0.354 1.655 13.937) 14.040 3.749 ( -1.253 14.911 16.912) 22.581 3.872 ( 0.453 -4.173 3.635) 5.553 3.993 ( -0.038 5.779 -3.683) 6.853 4.667 ( -0.814 0.958 1.002) 1.607 4.761 ( 0.070 1.438 1.948) 2.422 4.810 ( 0.601 -1.366 -1.707) 2.267 5.072 ( 2.266 2.063 3.185) 4.420 5.112 ( -1.316 -4.220 -1.327) 4.616 5.603 ( -0.341 -2.888 10.530) 10.924 5.668 ( 0.135 -5.177 -4.637) 6.951 5.878 ( 0.075 -3.646 -7.756) 8.571 5.991 ( 0.060 3.372 5.490) 6.443 6.124 ( 0.175 -1.854 -1.354) 2.302 6.218 ( 0.210 -1.271 -3.328) 3.569 6.306 ( 0.293 -1.433 2.127) 2.581 6.584 ( 0.069 -10.446 -0.163) 10.448 6.697 ( 0.271 6.193 0.495) 6.219 6.862 ( -0.041 3.747 -1.909) 4.205 7.203 ( 0.423 -1.433 -5.959) 6.143 7.380 ( -1.090 1.530 5.153) 5.485 7.606 ( 0.079 3.316 -1.321) 3.571 7.947 ( 0.200 -3.284 -5.429) 6.348 8.180 ( 1.816 3.636 3.379) 5.285 9.072 ( 0.134 -1.577 -3.566) 3.902 12.137 ( -5.054 4.754 -1.887) 7.190 12.353 ( 0.422 2.896 -0.842) 3.046 12.692 ( -4.453 -1.419 1.921) 5.053 12.787 ( 6.227 -0.356 -0.817) 6.291 12.992 ( 0.291 2.158 -1.153) 2.464 13.403 ( -3.978 -5.797 2.575) 7.487 13.575 ( -1.812 -3.343 -0.323) 3.816 13.867 ( 7.479 -19.805 -2.372) 21.302 14.166 ( -0.026 -2.885 1.010) 3.057 14.294 ( -2.024 -2.414 5.954) 6.736 14.515 ( -3.818 5.143 0.625) 6.436 15.029 ( 2.414 -0.258 -1.903) 3.085 15.519 ( 3.194 -18.236 -2.297) 18.656 15.567 ( -5.463 -3.016 5.286) 8.178 16.156 ( 2.253 -3.290 -0.553) 4.026 16.360 ( 6.622 -13.153 -10.783) 18.252 16.479 ( -8.731 -8.340 4.797) 12.992 17.061 ( 4.759 -12.640 2.234) 13.689 17.899 ( -1.788 6.409 3.186) 7.377 18.452 ( -6.530 10.922 0.608) 12.740 18.745 ( 5.125 2.797 -5.658) 8.130 19.282 ( 1.167 1.726 -0.980) 2.303 19.728 ( -0.254 7.171 4.733) 8.596 20.432 ( 0.265 -1.939 -3.265) 3.807 ======================= Grid point 110 (54/114) ======================= q-point: (-0.25 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 3.736 10.660 4.839) 12.289 1.011 ( 2.953 2.624 1.051) 4.088 1.197 ( 2.194 5.468 16.666) 17.677 1.383 ( -1.565 3.236 5.317) 6.418 1.588 ( -4.033 5.818 10.887) 12.986 2.059 ( -1.420 6.515 2.043) 6.974 2.228 ( 3.622 -4.145 0.555) 5.533 2.273 ( 1.875 -1.169 -1.762) 2.826 2.305 ( -0.378 6.486 7.985) 10.294 2.382 ( -1.585 -0.050 4.651) 4.914 2.397 ( -1.520 -3.213 1.822) 3.994 2.592 ( -0.057 2.895 11.144) 11.514 2.932 ( -0.806 -1.143 1.667) 2.176 2.989 ( -0.262 1.737 1.136) 2.092 3.188 ( 0.919 -4.015 -7.004) 8.125 3.533 ( 0.252 1.000 -0.686) 1.238 3.590 ( 0.382 0.351 1.131) 1.244 3.698 ( -0.612 4.366 12.661) 13.407 3.759 ( 0.964 11.966 14.853) 19.098 3.861 ( -1.882 -4.156 3.898) 6.001 3.994 ( 0.362 5.019 -2.821) 5.769 4.649 ( -0.774 0.478 0.590) 1.084 4.770 ( 0.565 1.520 2.231) 2.759 4.817 ( 0.031 -0.951 -1.648) 1.903 5.080 ( -1.822 -1.212 0.128) 2.192 5.122 ( 2.246 -0.922 1.452) 2.829 5.598 ( -1.092 -2.642 10.819) 11.191 5.665 ( -0.002 -5.237 -4.720) 7.050 5.877 ( 0.622 -3.801 -8.157) 9.021 5.980 ( -1.451 2.734 5.299) 6.137 6.131 ( 0.504 -1.796 -1.490) 2.388 6.223 ( 0.500 -1.547 -3.154) 3.548 6.307 ( -0.379 -1.131 1.455) 1.882 6.584 ( -0.095 -10.176 0.008) 10.177 6.702 ( 0.121 5.572 0.356) 5.585 6.866 ( 0.521 3.445 -1.564) 3.819 7.206 ( 0.397 -1.471 -6.059) 6.248 7.371 ( -0.182 2.656 6.471) 6.997 7.608 ( 0.222 3.071 -1.546) 3.446 7.945 ( 0.209 -3.245 -5.624) 6.497 8.201 ( -0.265 2.488 1.031) 2.707 9.070 ( 0.008 -1.602 -3.521) 3.868 12.113 ( 3.506 5.335 -0.958) 6.455 12.358 ( 0.209 2.644 -0.822) 2.777 12.605 ( -5.070 -1.673 3.065) 6.156 12.867 ( 2.468 0.431 -3.719) 4.484 12.999 ( 0.150 2.151 -0.323) 2.180 13.321 ( -3.538 -2.995 4.762) 6.646 13.566 ( 0.207 -4.097 2.876) 5.010 13.900 ( -3.722 -13.819 -1.555) 14.396 14.170 ( 0.142 -2.775 0.750) 2.879 14.253 ( -1.053 -2.241 8.771) 9.114 14.562 ( 7.032 -0.916 -6.459) 9.592 15.075 ( 3.070 -3.645 -6.997) 8.466 15.315 ( -12.054 -2.117 15.160) 19.483 15.754 ( 12.130 -15.135 -11.642) 22.622 16.161 ( -2.601 -5.585 1.371) 6.311 16.315 ( -7.677 -7.168 3.539) 11.083 16.490 ( 7.237 -12.719 -3.445) 15.034 17.066 ( -4.599 -9.626 -0.064) 10.668 17.855 ( -2.025 7.299 7.161) 10.424 18.409 ( 1.665 5.468 -1.280) 5.858 18.818 ( 2.678 5.789 -6.760) 9.294 19.286 ( -0.885 1.456 -0.570) 1.797 19.721 ( -0.787 7.482 4.590) 8.813 20.432 ( -0.037 -2.035 -3.256) 3.840 ======================= Grid point 111 (55/114) ======================= q-point: ( 0.00 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.406 5.920 -1.900) 6.231 1.129 ( 0.768 3.592 -1.164) 3.853 1.360 ( 1.445 11.810 2.560) 12.170 1.457 ( 3.437 8.927 8.445) 12.760 1.655 ( -5.441 8.620 7.778) 12.822 2.117 ( -1.036 -1.545 -0.695) 1.985 2.197 ( -0.106 -4.523 4.303) 6.244 2.224 ( 0.127 -2.927 1.443) 3.266 2.258 ( -0.510 -2.213 3.554) 4.217 2.320 ( 1.140 -3.030 -2.124) 3.872 2.450 ( -0.711 1.608 1.766) 2.492 2.727 ( 0.370 6.068 7.812) 9.899 2.864 ( 0.030 -2.814 5.074) 5.802 3.062 ( 0.263 -1.395 -2.639) 2.997 3.113 ( 0.459 2.049 -1.967) 2.877 3.507 ( -1.298 -3.059 4.913) 5.931 3.615 ( 0.971 -1.209 -2.166) 2.664 3.679 ( -1.964 -1.115 5.139) 5.614 3.805 ( 1.227 2.920 11.161) 11.602 4.098 ( -0.773 17.105 12.913) 21.446 4.227 ( 0.412 13.579 -11.474) 17.782 4.619 ( 0.467 -4.821 -1.809) 5.170 4.779 ( -0.139 -0.932 0.580) 1.106 4.815 ( -0.159 0.514 0.598) 0.805 4.957 ( -0.335 -1.595 -0.845) 1.835 5.202 ( -0.639 2.707 1.323) 3.080 5.522 ( -1.109 -5.617 -1.093) 5.828 5.543 ( 1.349 -5.960 -1.485) 6.288 5.789 ( 0.352 -3.262 -4.699) 5.731 6.005 ( -0.218 -3.662 1.378) 3.919 6.073 ( 0.382 0.626 3.471) 3.548 6.175 ( 0.170 -3.893 -2.440) 4.598 6.269 ( -1.111 -2.328 1.684) 3.080 6.358 ( 0.541 -10.010 1.473) 10.132 6.816 ( -0.076 5.607 -2.641) 6.198 6.999 ( 0.633 7.762 -2.898) 8.310 7.164 ( -0.052 -2.392 -6.468) 6.896 7.451 ( -0.206 3.091 3.889) 4.972 7.657 ( 0.162 1.363 -0.211) 1.389 7.844 ( 0.106 -5.943 -1.483) 6.126 8.290 ( -0.734 7.817 3.068) 8.430 9.010 ( 0.103 -4.269 -0.951) 4.375 12.284 ( 3.240 1.984 -0.226) 3.806 12.406 ( -0.470 1.954 -0.522) 2.077 12.534 ( 0.298 0.927 1.261) 1.593 12.868 ( -1.600 0.090 -2.763) 3.194 12.996 ( -0.928 -1.275 2.489) 2.947 13.206 ( 0.983 -8.054 -3.160) 8.707 13.464 ( 0.094 -2.274 6.683) 7.060 13.739 ( -1.820 0.894 -7.263) 7.541 14.076 ( 0.064 -6.851 -2.428) 7.269 14.199 ( 0.259 -3.708 4.441) 5.791 14.634 ( 4.025 -1.989 -6.540) 7.933 14.960 ( -0.277 -7.625 -8.028) 11.076 15.199 ( -4.591 3.553 13.451) 14.650 15.669 ( 7.221 -11.650 -2.957) 14.022 15.909 ( -5.421 -7.907 7.716) 12.306 16.167 ( -1.800 -1.147 8.672) 8.931 16.332 ( 3.303 -10.563 3.076) 11.487 16.774 ( -3.696 -8.925 3.609) 10.312 18.002 ( -0.501 8.874 3.103) 9.415 18.547 ( 5.170 0.562 -6.049) 7.977 18.950 ( -1.831 5.587 -5.024) 7.734 19.263 ( -1.216 -0.821 2.204) 2.648 19.875 ( 0.014 7.674 -1.286) 7.781 20.369 ( 0.187 -3.767 -3.778) 5.338 ======================= Grid point 112 (56/114) ======================= q-point: ( 0.25 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -6.884 3.852 0.297) 7.894 1.136 ( 0.696 3.715 -1.390) 4.027 1.430 ( -1.242 14.531 7.588) 16.440 1.484 ( 0.581 13.757 0.391) 13.775 1.607 ( 2.331 4.076 9.044) 10.191 2.097 ( -1.062 -0.603 -1.452) 1.897 2.176 ( -2.772 -5.666 3.450) 7.190 2.203 ( 0.220 -4.149 4.498) 6.124 2.284 ( 1.650 -1.194 -1.619) 2.602 2.351 ( 1.472 -2.533 0.482) 2.969 2.438 ( -0.623 0.916 2.655) 2.877 2.747 ( 0.576 5.454 8.359) 9.997 2.879 ( 0.779 -2.853 5.312) 6.080 3.059 ( -0.341 -0.745 -2.246) 2.391 3.103 ( -1.076 2.029 -2.949) 3.738 3.477 ( -1.595 -2.912 4.990) 5.994 3.628 ( 0.548 -1.624 -4.219) 4.554 3.676 ( 0.607 0.258 9.599) 9.621 3.821 ( -0.552 2.180 8.425) 8.720 4.093 ( -0.795 17.079 12.861) 21.394 4.228 ( 0.666 13.390 -11.017) 17.352 4.637 ( 1.332 -5.438 -1.614) 5.827 4.777 ( -0.178 -1.359 -0.310) 1.405 4.802 ( -1.038 1.786 1.113) 2.347 4.955 ( 0.234 -1.875 -0.909) 2.097 5.187 ( -0.753 2.910 2.034) 3.629 5.508 ( -0.215 -6.354 -2.035) 6.675 5.565 ( 0.859 -5.080 -0.757) 5.208 5.791 ( 0.247 -3.386 -4.585) 5.705 6.011 ( 0.558 -4.897 0.367) 4.943 6.077 ( -0.431 1.874 4.463) 4.860 6.175 ( 0.069 -3.745 -2.443) 4.472 6.256 ( -0.147 -3.270 1.987) 3.829 6.366 ( 0.042 -9.129 1.270) 9.217 6.815 ( 0.256 5.685 -2.383) 6.169 6.998 ( -0.487 7.697 -3.400) 8.429 7.162 ( 0.428 -2.267 -6.333) 6.740 7.446 ( -0.589 2.891 3.347) 4.462 7.658 ( -0.043 1.410 -0.153) 1.419 7.844 ( 0.036 -5.996 -1.408) 6.159 8.288 ( 0.197 8.337 3.816) 9.171 9.012 ( 0.111 -4.328 -0.985) 4.440 12.285 ( -2.837 1.058 0.000) 3.028 12.400 ( 0.212 2.059 -0.597) 2.154 12.616 ( 6.904 -0.206 -1.207) 7.011 12.800 ( -4.642 1.950 0.916) 5.117 12.999 ( 0.675 -1.539 1.035) 1.974 13.236 ( 1.965 -9.684 -4.476) 10.848 13.468 ( -0.379 -2.886 6.169) 6.821 13.700 ( -0.898 2.604 -5.865) 6.480 14.071 ( -0.265 -6.856 -2.167) 7.195 14.220 ( 1.221 -4.243 3.138) 5.417 14.662 ( -1.398 -1.091 -5.749) 6.017 14.959 ( 0.776 -8.611 -8.250) 11.951 15.155 ( 0.167 2.008 10.129) 10.327 15.660 ( -7.320 -8.461 10.057) 15.044 15.942 ( 7.305 -10.051 -3.685) 12.960 16.144 ( -1.175 0.053 7.162) 7.258 16.354 ( -2.006 -11.540 6.635) 13.462 16.753 ( 1.757 -8.132 3.239) 8.928 18.014 ( 1.291 7.996 2.369) 8.439 18.633 ( 2.693 -3.147 -6.408) 7.630 18.861 ( -5.081 9.636 -3.224) 11.360 19.267 ( 1.271 -0.708 1.348) 1.984 19.877 ( 0.258 7.495 -1.133) 7.585 20.371 ( 0.343 -3.734 -3.753) 5.305 ======================= Grid point 113 (57/114) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.597 9.609 -0.628) 9.648 1.144 ( -0.140 5.372 -0.252) 5.380 1.337 ( -4.083 13.850 10.989) 18.145 1.518 ( -0.501 7.701 -0.917) 7.772 1.677 ( 2.976 3.740 8.091) 9.397 2.093 ( 1.380 0.067 -0.388) 1.436 2.145 ( -0.827 -5.331 2.353) 5.886 2.216 ( 0.506 -2.866 2.845) 4.070 2.300 ( 0.008 -0.722 -1.942) 2.072 2.357 ( -1.139 -2.898 2.195) 3.809 2.438 ( 0.568 1.333 2.779) 3.134 2.750 ( -1.062 5.602 8.376) 10.133 2.888 ( -0.630 -1.966 5.777) 6.135 3.057 ( 0.649 -4.133 -3.973) 5.770 3.080 ( -0.757 4.142 -2.458) 4.876 3.472 ( 0.630 -2.718 5.428) 6.103 3.628 ( -0.271 -0.086 -4.669) 4.678 3.704 ( 1.492 -0.382 10.414) 10.527 3.798 ( -2.492 1.156 7.683) 8.159 4.093 ( -0.372 17.285 12.573) 21.377 4.231 ( 0.551 13.563 -10.428) 17.118 4.649 ( -0.344 -5.486 -1.921) 5.823 4.777 ( 0.484 -1.689 -1.041) 2.042 4.790 ( -0.231 1.584 2.368) 2.858 4.962 ( 0.442 -1.922 -1.005) 2.214 5.185 ( 0.379 3.260 2.462) 4.103 5.510 ( 0.596 -6.767 -2.704) 7.311 5.567 ( -0.533 -4.743 -0.493) 4.799 5.790 ( 0.059 -3.173 -4.185) 5.253 6.021 ( 0.395 -6.932 -0.849) 6.995 6.066 ( -0.937 3.238 5.322) 6.300 6.174 ( 0.064 -3.636 -2.793) 4.586 6.266 ( 0.847 -2.917 2.247) 3.779 6.361 ( -0.598 -9.620 1.045) 9.695 6.819 ( 0.328 5.621 -2.418) 6.128 6.984 ( -0.342 7.293 -3.319) 8.020 7.167 ( 0.595 -1.785 -6.169) 6.450 7.441 ( -0.135 3.407 3.532) 4.909 7.656 ( -0.146 1.513 -0.065) 1.521 7.844 ( 0.034 -6.007 -1.485) 6.188 8.299 ( 0.416 7.684 3.597) 8.494 9.012 ( -0.014 -4.355 -0.980) 4.464 12.227 ( -2.285 3.700 -0.463) 4.373 12.403 ( 0.074 1.312 -0.575) 1.435 12.670 ( -3.568 -0.067 -0.532) 3.609 12.783 ( 4.662 0.398 -0.083) 4.680 13.012 ( 0.534 -0.898 1.271) 1.645 13.247 ( -0.757 -9.876 -3.011) 10.353 13.462 ( -0.625 -2.922 5.712) 6.446 13.712 ( 2.480 0.910 -6.881) 7.370 14.067 ( 0.106 -7.088 -2.273) 7.445 14.235 ( -0.249 -3.453 3.039) 4.607 14.593 ( -3.736 2.144 -2.984) 5.240 14.970 ( 1.026 -7.719 -7.504) 10.814 15.222 ( 4.793 -5.207 5.258) 8.817 15.525 ( -6.183 -2.437 9.881) 11.908 16.077 ( 6.565 -12.123 -2.795) 14.067 16.121 ( -2.750 -3.775 8.479) 9.681 16.295 ( -3.431 -6.108 5.088) 8.658 16.814 ( 2.912 -10.822 5.123) 12.322 18.038 ( 0.651 7.810 0.358) 7.845 18.569 ( -6.603 0.071 -3.270) 7.369 18.858 ( 3.997 7.575 -4.408) 9.633 19.293 ( 0.892 -1.009 0.885) 1.611 19.880 ( 0.102 7.414 -1.186) 7.508 20.373 ( 0.158 -3.774 -3.818) 5.371 ======================= Grid point 114 (58/114) ======================= q-point: (-0.25 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 6.996 11.897 -2.183) 13.973 1.128 ( -0.840 7.357 -0.824) 7.451 1.338 ( 2.030 8.859 12.555) 15.499 1.462 ( -4.222 5.429 -0.132) 6.879 1.709 ( -0.692 5.622 7.563) 9.449 2.129 ( 0.388 -5.475 1.348) 5.652 2.160 ( 3.261 2.064 1.145) 4.026 2.213 ( -0.933 -3.335 0.884) 3.574 2.290 ( -1.258 -1.447 3.592) 4.072 2.323 ( -1.557 -3.109 -0.778) 3.563 2.453 ( 0.358 1.484 2.006) 2.521 2.730 ( -1.343 6.272 7.773) 10.078 2.872 ( -1.150 -2.151 5.236) 5.776 3.060 ( 0.140 -4.056 -4.159) 5.811 3.092 ( 1.649 3.618 -1.377) 4.208 3.499 ( 1.309 -3.089 5.539) 6.476 3.613 ( -0.580 0.664 -3.118) 3.240 3.725 ( -1.908 -4.372 1.842) 5.114 3.768 ( 0.455 4.397 14.827) 15.472 4.098 ( -0.360 17.300 12.615) 21.414 4.230 ( 0.348 13.749 -10.863) 17.526 4.628 ( -1.125 -4.752 -2.092) 5.313 4.781 ( -0.096 -0.744 0.879) 1.156 4.804 ( 1.138 -0.340 0.787) 1.425 4.964 ( -0.174 -1.605 -0.926) 1.861 5.200 ( 0.670 3.063 1.786) 3.609 5.523 ( 0.932 -6.635 -2.338) 7.097 5.548 ( -1.355 -5.049 -0.689) 5.273 5.788 ( 0.142 -3.036 -4.276) 5.246 6.016 ( -0.804 -5.273 0.519) 5.359 6.062 ( 0.214 1.570 3.932) 4.240 6.173 ( 0.168 -3.794 -2.782) 4.708 6.280 ( 0.060 -1.486 1.997) 2.490 6.351 ( -0.216 -11.001 1.206) 11.069 6.820 ( -0.050 5.546 -2.700) 6.168 6.986 ( 0.756 7.351 -2.807) 7.905 7.170 ( 0.169 -1.909 -6.289) 6.575 7.446 ( 0.260 3.619 4.070) 5.453 7.654 ( 0.052 1.469 -0.125) 1.475 7.844 ( 0.093 -5.957 -1.560) 6.159 8.302 ( -0.481 7.150 2.855) 7.714 9.010 ( -0.026 -4.297 -0.946) 4.400 12.222 ( 1.983 4.664 -0.421) 5.086 12.405 ( 0.270 1.378 -0.552) 1.509 12.585 ( -4.542 0.441 1.660) 4.856 12.858 ( 2.643 -0.937 -3.399) 4.406 13.016 ( -0.603 -0.829 2.316) 2.532 13.216 ( -1.635 -8.109 -1.737) 8.453 13.459 ( -0.214 -2.485 6.339) 6.812 13.752 ( 1.519 -0.811 -8.348) 8.523 14.071 ( 0.511 -7.107 -2.391) 7.516 14.213 ( -1.903 -2.615 4.394) 5.456 14.571 ( 1.981 0.990 -4.221) 4.767 14.974 ( -0.122 -7.362 -7.419) 10.453 15.263 ( -2.301 -2.122 11.549) 11.965 15.521 ( 6.030 -5.442 -1.041) 8.189 16.032 ( -6.999 -9.040 9.109) 14.617 16.169 ( 2.143 -8.463 5.916) 10.546 16.273 ( 1.370 -3.822 0.735) 4.126 16.833 ( -1.738 -11.415 5.308) 12.709 18.026 ( -1.759 8.820 1.115) 9.062 18.494 ( -0.060 2.138 -3.857) 4.411 18.932 ( 3.408 5.120 -5.030) 7.946 19.291 ( -1.220 -1.143 1.465) 2.223 19.878 ( -0.151 7.590 -1.339) 7.709 20.370 ( -0.002 -3.808 -3.843) 5.410 ======================= Grid point 115 (59/114) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.742 3.035 -2.294) 4.185 1.229 ( -0.573 3.548 -3.759) 5.201 1.616 ( 2.963 10.323 6.938) 12.786 1.657 ( 3.310 11.437 -2.732) 12.216 1.832 ( -1.725 7.845 5.365) 9.659 1.985 ( -0.686 -8.081 4.928) 9.490 2.086 ( -0.643 -6.025 -2.034) 6.391 2.179 ( -3.539 -4.827 3.400) 6.884 2.236 ( 1.497 0.142 -0.102) 1.507 2.262 ( 0.200 -2.032 -1.927) 2.807 2.491 ( 0.013 3.303 3.675) 4.941 2.724 ( 0.213 -4.863 3.497) 5.993 2.879 ( -0.670 1.836 -3.232) 3.777 2.958 ( 0.209 -3.806 2.446) 4.529 3.254 ( 1.743 7.001 0.886) 7.269 3.486 ( -1.687 2.989 3.808) 5.126 3.533 ( 0.344 -5.960 -1.637) 6.190 3.677 ( 0.195 -1.291 -3.340) 3.586 3.922 ( 0.144 8.468 12.729) 15.289 4.402 ( -0.983 -2.288 0.066) 2.491 4.444 ( 0.639 3.047 3.196) 4.462 4.505 ( -0.244 12.160 -1.675) 12.278 4.751 ( -0.195 -1.347 -0.553) 1.469 4.827 ( 0.214 0.564 3.498) 3.550 5.033 ( -0.097 6.897 -1.924) 7.161 5.232 ( -0.480 0.346 -1.873) 1.964 5.369 ( 1.009 -8.667 -5.045) 10.079 5.390 ( -0.218 -8.097 -10.688) 13.411 5.788 ( -0.260 2.426 5.223) 5.765 5.880 ( -0.066 -5.243 0.602) 5.278 6.064 ( 0.314 -5.772 -3.876) 6.960 6.127 ( 1.159 -0.770 4.415) 4.629 6.155 ( -1.730 -3.266 2.291) 4.348 6.253 ( 0.491 -2.280 2.512) 3.427 6.927 ( 0.161 5.161 -5.327) 7.419 7.103 ( 0.681 -3.029 -6.797) 7.473 7.178 ( -0.143 8.734 -2.582) 9.109 7.471 ( -0.155 -2.107 0.116) 2.116 7.673 ( 0.003 0.397 0.070) 0.403 7.730 ( -0.092 -4.210 0.630) 4.258 8.485 ( -0.274 10.604 5.272) 11.845 8.889 ( -0.076 -7.500 2.057) 7.778 12.317 ( 0.449 1.499 0.333) 1.599 12.405 ( 0.123 -1.929 0.121) 1.937 12.605 ( 0.340 5.794 -0.350) 5.814 12.857 ( 1.304 -2.528 -0.819) 2.960 12.947 ( -2.572 -1.809 3.221) 4.501 13.054 ( 0.603 -5.784 -2.384) 6.285 13.500 ( 0.170 5.248 0.099) 5.252 13.801 ( -0.097 3.538 -6.914) 7.767 13.899 ( 0.459 -8.720 -5.185) 10.156 14.095 ( -0.483 -6.408 -0.575) 6.452 14.622 ( 1.539 1.238 -4.373) 4.798 14.808 ( 0.105 -6.951 -6.596) 9.583 15.276 ( -1.467 3.932 11.599) 12.335 15.492 ( 1.205 -6.489 6.125) 9.005 15.794 ( -2.277 -1.891 10.404) 10.816 16.012 ( 0.718 -10.032 11.058) 14.948 16.318 ( -0.127 4.917 3.994) 6.336 16.595 ( -1.432 -8.117 5.264) 9.780 18.197 ( -0.203 9.639 -2.566) 9.977 18.511 ( 2.385 -4.059 -7.275) 8.666 19.047 ( -0.384 4.274 -1.430) 4.523 19.220 ( -0.757 -3.275 2.388) 4.123 20.027 ( 0.107 7.020 -4.246) 8.205 20.277 ( 0.203 -5.057 -4.517) 6.784 ======================= Grid point 116 (60/114) ======================= q-point: ( 0.25 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.330 6.162 -2.601) 6.820 1.219 ( 0.027 3.572 -3.915) 5.299 1.665 ( 0.695 7.830 1.400) 7.985 1.713 ( 1.555 7.273 5.964) 9.533 1.771 ( -3.899 12.537 2.922) 13.451 1.985 ( 0.730 -7.943 3.502) 8.712 2.075 ( -1.376 -6.290 -1.283) 6.565 2.127 ( -0.528 -2.788 2.144) 3.556 2.265 ( 1.156 -1.315 -2.139) 2.764 2.276 ( 1.037 -3.067 1.526) 3.580 2.490 ( -0.464 3.727 3.531) 5.155 2.728 ( -0.118 -5.173 3.446) 6.217 2.879 ( 0.916 0.470 -3.801) 3.938 2.958 ( -0.331 -3.694 3.259) 4.938 3.277 ( -0.041 9.436 0.513) 9.450 3.451 ( -1.364 1.868 3.216) 3.961 3.561 ( 2.072 -4.502 -1.480) 5.173 3.671 ( -0.539 -2.320 -1.491) 2.810 3.925 ( -0.968 8.055 11.207) 13.835 4.393 ( -0.011 0.307 1.311) 1.347 4.454 ( 0.098 -0.256 1.558) 1.582 4.503 ( 0.139 12.384 -0.566) 12.398 4.746 ( -0.159 -1.122 -0.619) 1.291 4.832 ( -0.105 0.713 3.381) 3.457 5.028 ( -0.163 6.996 -2.399) 7.398 5.220 ( -0.368 0.411 -0.958) 1.106 5.358 ( -0.425 -7.659 -7.017) 10.396 5.412 ( 2.045 -8.922 -9.173) 12.959 5.788 ( -0.241 2.360 5.305) 5.811 5.881 ( 0.054 -5.220 0.547) 5.249 6.066 ( 0.202 -5.881 -3.634) 6.916 6.122 ( -1.632 -4.075 2.758) 5.184 6.153 ( 0.920 0.393 3.772) 3.903 6.261 ( 0.009 -2.707 2.481) 3.672 6.927 ( 0.282 5.103 -5.115) 7.231 7.094 ( -0.704 -2.387 -6.627) 7.079 7.184 ( 0.831 8.209 -3.062) 8.801 7.469 ( -0.038 -1.734 0.073) 1.736 7.674 ( 0.044 0.306 0.065) 0.316 7.728 ( -0.112 -4.302 0.638) 4.350 8.487 ( -0.076 10.587 5.351) 11.863 8.890 ( -0.074 -7.534 2.039) 7.806 12.307 ( -1.232 1.347 0.465) 1.883 12.399 ( -0.533 -2.015 0.102) 2.087 12.660 ( 4.797 4.653 -2.033) 6.985 12.856 ( -3.188 3.313 1.571) 4.859 12.921 ( 1.380 -5.594 2.374) 6.232 13.056 ( -0.253 -7.319 -2.354) 7.693 13.501 ( -0.114 5.291 -0.347) 5.304 13.786 ( -0.624 4.209 -6.096) 7.434 13.898 ( -0.088 -8.467 -5.183) 9.928 14.102 ( 1.177 -7.081 -1.189) 7.276 14.640 ( 0.409 0.370 -4.790) 4.822 14.805 ( 0.162 -6.102 -6.508) 8.923 15.250 ( -1.679 5.587 11.605) 12.989 15.489 ( -1.962 -7.166 8.569) 11.342 15.809 ( 2.764 -2.625 6.082) 7.178 16.010 ( -2.099 -10.283 13.657) 17.223 16.316 ( -0.410 4.921 4.064) 6.395 16.590 ( 0.565 -7.562 4.818) 8.984 18.202 ( 0.875 9.650 -2.858) 10.102 18.539 ( 0.604 -5.854 -7.059) 9.191 19.017 ( -1.849 6.064 -0.964) 6.412 19.222 ( 0.667 -3.574 1.911) 4.108 20.027 ( 0.275 7.000 -4.136) 8.135 20.279 ( 0.369 -5.112 -4.470) 6.800 ======================= Grid point 117 (61/114) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.710 8.104 -3.261) 8.901 1.228 ( 1.111 2.847 -3.497) 4.644 1.629 ( -4.028 11.465 6.174) 13.630 1.662 ( -3.662 8.102 -0.432) 8.902 1.789 ( 2.469 7.612 5.460) 9.688 2.004 ( -0.432 -7.461 5.009) 8.997 2.058 ( 1.457 -5.215 -2.805) 6.098 2.153 ( 1.796 -3.044 2.993) 4.631 2.275 ( 0.119 -1.741 -2.855) 3.346 2.286 ( -0.334 -3.263 1.452) 3.587 2.484 ( -0.299 3.385 3.468) 4.855 2.724 ( -0.514 -5.190 2.932) 5.983 2.896 ( 1.059 -0.818 -5.246) 5.414 2.955 ( -0.440 -2.261 5.505) 5.968 3.249 ( -2.090 9.732 -0.816) 9.988 3.456 ( 1.280 1.956 3.019) 3.819 3.586 ( 0.090 -3.863 -1.045) 4.002 3.662 ( 0.065 -3.814 -1.795) 4.215 3.910 ( -1.279 8.766 11.533) 14.543 4.403 ( 0.804 -0.084 2.584) 2.708 4.449 ( -0.701 0.060 -0.208) 0.733 4.508 ( 0.293 12.274 0.243) 12.280 4.746 ( 0.235 -1.013 -0.867) 1.354 4.828 ( -0.508 1.351 3.550) 3.832 5.027 ( 0.315 6.291 -2.410) 6.744 5.220 ( 0.435 0.177 -0.497) 0.684 5.352 ( 0.328 -7.746 -8.268) 11.334 5.429 ( 0.449 -8.168 -7.969) 11.420 5.788 ( -0.205 2.387 5.355) 5.866 5.882 ( 0.003 -5.236 0.563) 5.266 6.064 ( 0.016 -6.021 -3.817) 7.129 6.104 ( -0.520 -2.532 3.851) 4.638 6.167 ( 0.427 -1.560 2.290) 2.803 6.257 ( -0.614 -2.510 2.500) 3.595 6.929 ( 0.314 4.943 -5.026) 7.057 7.080 ( 0.008 -0.964 -6.071) 6.147 7.193 ( 0.309 6.952 -3.525) 7.801 7.471 ( 0.144 -1.704 0.079) 1.712 7.674 ( -0.022 0.451 0.278) 0.530 7.728 ( 0.040 -4.222 0.541) 4.256 8.489 ( -0.200 10.370 5.241) 11.620 8.890 ( -0.110 -7.526 2.058) 7.803 12.289 ( -0.408 2.478 0.293) 2.528 12.392 ( -0.110 -2.064 0.073) 2.068 12.714 ( -1.395 4.345 -2.779) 5.343 12.810 ( 0.628 2.054 2.326) 3.166 12.960 ( 1.513 -3.509 3.336) 5.073 13.043 ( -0.481 -9.057 -3.059) 9.572 13.497 ( -0.173 5.167 -0.388) 5.184 13.779 ( 0.609 3.468 -5.729) 6.724 13.892 ( 0.082 -7.932 -5.386) 9.588 14.122 ( 0.630 -7.576 -1.419) 7.734 14.625 ( -1.241 2.085 -4.450) 5.068 14.805 ( 0.449 -6.243 -6.427) 8.971 15.250 ( 0.597 4.669 10.931) 11.901 15.457 ( -1.694 -4.082 8.784) 9.833 15.877 ( 2.931 -6.116 5.002) 8.427 15.963 ( -3.433 -8.810 13.994) 16.889 16.313 ( -0.185 5.146 3.997) 6.518 16.613 ( 0.862 -8.795 5.887) 10.618 18.216 ( 0.598 8.969 -3.674) 9.711 18.515 ( -2.008 -4.602 -6.366) 8.108 19.004 ( 0.716 6.377 -0.907) 6.481 19.237 ( 0.469 -4.274 1.758) 4.645 20.029 ( 0.272 6.990 -4.149) 8.133 20.281 ( 0.204 -5.082 -4.496) 6.788 ======================= Grid point 118 (62/114) ======================= q-point: (-0.25 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 1.866 4.914 -3.121) 6.113 1.240 ( 0.095 2.739 -3.332) 4.314 1.582 ( -0.747 13.502 8.817) 16.143 1.623 ( 0.037 9.792 -3.849) 10.521 1.829 ( 1.155 6.271 5.607) 8.491 1.993 ( -0.653 -7.509 5.093) 9.097 2.091 ( 1.028 -6.238 -2.294) 6.725 2.184 ( 1.329 -3.049 4.589) 5.667 2.258 ( -2.162 -1.675 -1.765) 3.255 2.270 ( -0.731 -1.940 -1.237) 2.414 2.486 ( 0.105 2.942 3.618) 4.665 2.719 ( -0.160 -4.903 2.948) 5.723 2.899 ( -0.553 0.808 -4.703) 4.804 2.951 ( -0.143 -2.439 4.703) 5.300 3.230 ( 0.393 7.305 -0.361) 7.324 3.484 ( 1.044 2.133 2.787) 3.662 3.561 ( -2.176 -5.052 -0.187) 5.504 3.670 ( 0.758 -2.330 -3.999) 4.690 3.907 ( -0.092 9.214 13.169) 16.073 4.421 ( 0.112 -12.046 2.156) 12.238 4.431 ( -0.467 12.590 0.610) 12.614 4.510 ( -0.059 12.193 -0.867) 12.224 4.751 ( 0.249 -1.289 -0.823) 1.549 4.823 ( -0.240 1.229 3.708) 3.914 5.033 ( 0.338 6.206 -1.961) 6.517 5.232 ( 0.622 0.078 -1.326) 1.467 5.354 ( 0.715 -8.448 -8.100) 11.726 5.416 ( -1.013 -7.620 -7.753) 10.918 5.789 ( -0.250 2.458 5.293) 5.841 5.882 ( -0.095 -5.272 0.602) 5.308 6.062 ( 0.161 -5.860 -4.010) 7.102 6.108 ( 0.433 -0.983 4.552) 4.677 6.173 ( -0.206 -3.665 1.672) 4.034 6.247 ( -0.347 -1.915 2.576) 3.228 6.929 ( 0.178 4.997 -5.253) 7.252 7.087 ( 1.177 -1.121 -6.011) 6.226 7.189 ( -0.446 6.994 -3.260) 7.729 7.473 ( 0.030 -2.076 0.120) 2.080 7.673 ( -0.056 0.536 0.277) 0.606 7.730 ( 0.059 -4.122 0.544) 4.158 8.487 ( -0.399 10.384 5.161) 11.602 8.889 ( -0.112 -7.492 2.075) 7.774 12.297 ( 1.135 2.767 0.163) 2.995 12.397 ( 0.505 -1.896 0.122) 1.966 12.646 ( -3.900 5.151 -0.015) 6.461 12.839 ( 1.096 -1.180 -0.891) 1.840 12.973 ( -0.432 -2.716 3.723) 4.628 13.043 ( 0.604 -7.041 -2.913) 7.644 13.496 ( 0.143 5.150 0.065) 5.152 13.795 ( 1.250 2.658 -6.471) 7.106 13.893 ( 0.503 -8.039 -5.407) 9.701 14.115 ( -1.141 -6.882 -0.871) 7.030 14.607 ( 0.091 2.813 -4.064) 4.943 14.809 ( 0.462 -7.115 -6.548) 9.680 15.275 ( 0.509 3.001 11.033) 11.445 15.457 ( 1.095 -3.042 6.759) 7.492 15.859 ( -4.597 -5.500 11.829) 13.831 15.971 ( 2.353 -8.673 8.433) 12.323 16.315 ( -0.001 5.110 3.959) 6.464 16.618 ( -1.000 -9.317 6.301) 11.292 18.211 ( -0.709 8.916 -3.363) 9.556 18.487 ( 0.255 -2.845 -6.646) 7.233 19.031 ( 1.724 4.767 -1.207) 5.211 19.236 ( -0.752 -4.066 2.108) 4.641 20.029 ( 0.103 7.010 -4.258) 8.202 20.279 ( 0.038 -5.028 -4.543) 6.776 ======================= Grid point 119 (63/114) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -0.167 -1.799 -4.031) 4.417 1.245 ( -0.167 1.799 -4.031) 4.417 1.803 ( -0.380 -8.448 6.648) 10.757 1.803 ( -0.380 8.448 6.648) 10.757 1.878 ( 1.251 -7.776 -2.128) 8.158 1.878 ( 1.251 7.776 -2.128) 8.158 2.051 ( -1.146 -5.766 3.213) 6.700 2.051 ( -1.146 5.766 3.213) 6.700 2.239 ( 0.068 -0.381 -2.168) 2.203 2.239 ( 0.068 0.381 -2.168) 2.203 2.595 ( 0.175 -6.462 2.482) 6.924 2.595 ( 0.175 6.462 2.482) 6.924 2.909 ( -0.651 -1.784 0.827) 2.071 2.909 ( -0.651 1.784 0.827) 2.071 3.394 ( 1.528 -7.022 -0.395) 7.197 3.394 ( 1.528 7.022 -0.395) 7.197 3.599 ( -0.647 -5.836 -1.790) 6.138 3.599 ( -0.647 5.836 -1.790) 6.138 4.145 ( -0.242 -12.716 7.633) 14.833 4.145 ( -0.242 12.716 7.633) 14.833 4.614 ( -0.178 -3.993 -2.456) 4.691 4.614 ( -0.178 3.993 -2.456) 4.691 4.790 ( -0.309 -4.803 5.435) 7.259 4.790 ( -0.309 4.803 5.435) 7.259 5.194 ( 1.037 -8.100 -3.803) 9.009 5.194 ( 1.037 8.100 -3.803) 9.009 5.256 ( -0.573 -3.609 -9.490) 10.169 5.256 ( -0.573 3.609 -9.490) 10.169 5.827 ( -0.269 -0.746 4.691) 4.758 5.827 ( -0.269 0.746 4.691) 4.758 6.022 ( 0.072 -3.108 -1.599) 3.496 6.022 ( 0.072 3.108 -1.599) 3.496 6.203 ( 0.109 -2.707 3.254) 4.234 6.203 ( 0.109 2.707 3.254) 4.234 7.026 ( 0.281 -4.311 -6.776) 8.037 7.026 ( 0.281 4.311 -6.776) 8.037 7.358 ( 0.168 -8.007 -1.753) 8.198 7.358 ( 0.168 8.007 -1.753) 8.198 7.683 ( -0.165 -0.913 0.796) 1.222 7.683 ( -0.165 0.913 0.796) 1.222 8.705 ( -0.201 -10.174 4.575) 11.157 8.705 ( -0.201 10.174 4.575) 11.157 12.356 ( -0.105 -2.328 0.538) 2.391 12.356 ( -0.105 2.328 0.538) 2.391 12.743 ( 0.575 -7.013 -0.401) 7.048 12.743 ( 0.575 7.013 -0.401) 7.048 12.967 ( -0.527 -2.850 0.632) 2.967 12.967 ( -0.527 2.850 0.632) 2.967 13.662 ( 0.546 -9.848 -4.083) 10.675 13.662 ( 0.546 9.848 -4.083) 10.675 13.951 ( -0.133 -6.997 -5.056) 8.633 13.951 ( -0.133 6.997 -5.056) 8.633 14.685 ( 0.449 -4.737 -4.507) 6.554 14.685 ( 0.449 4.737 -4.507) 6.554 15.370 ( -0.504 -5.347 10.419) 11.721 15.370 ( -0.504 5.347 10.419) 11.721 15.842 ( -0.607 -5.887 11.039) 12.526 15.842 ( -0.607 5.887 11.039) 12.526 16.442 ( -0.412 -6.765 5.231) 8.561 16.442 ( -0.412 6.765 5.231) 8.561 18.383 ( 0.735 -8.040 -6.301) 10.241 18.383 ( 0.735 8.040 -6.301) 10.241 19.137 ( -0.284 -4.445 1.246) 4.625 19.137 ( -0.284 4.445 1.246) 4.625 20.162 ( 0.154 -6.045 -4.937) 7.806 20.162 ( 0.154 6.045 -4.937) 7.806 ======================= Grid point 121 (64/114) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.334 -1.932 -4.260) 4.690 1.242 ( 0.334 1.932 -4.260) 4.690 1.800 ( -0.260 -6.463 2.388) 6.895 1.800 ( -0.260 6.463 2.388) 6.895 1.891 ( -0.326 -7.542 3.177) 8.190 1.891 ( -0.326 7.542 3.177) 8.190 2.029 ( -0.734 -6.844 1.554) 7.056 2.029 ( -0.734 6.844 1.554) 7.056 2.245 ( 0.518 -0.188 -1.315) 1.426 2.245 ( 0.518 0.188 -1.315) 1.426 2.596 ( -0.276 -6.511 2.345) 6.926 2.596 ( -0.276 6.511 2.345) 6.926 2.902 ( -0.022 -2.190 0.602) 2.271 2.902 ( -0.022 2.190 0.602) 2.271 3.437 ( 2.437 -6.222 -0.343) 6.691 3.437 ( 2.437 6.222 -0.343) 6.691 3.570 ( -1.953 -6.643 -1.455) 7.075 3.570 ( -1.953 6.643 -1.455) 7.075 4.144 ( -0.539 -12.687 7.102) 14.549 4.144 ( -0.539 12.687 7.102) 14.549 4.610 ( 0.126 -3.963 -1.878) 4.387 4.610 ( 0.126 3.963 -1.878) 4.387 4.792 ( 0.015 -5.084 5.343) 7.375 4.792 ( 0.015 5.084 5.343) 7.375 5.185 ( -1.085 -6.943 -4.741) 8.477 5.185 ( -1.085 6.943 -4.741) 8.477 5.264 ( 1.795 -3.199 -8.705) 9.446 5.264 ( 1.795 3.199 -8.705) 9.446 5.827 ( -0.158 -0.833 4.655) 4.732 5.827 ( -0.158 0.833 4.655) 4.732 6.018 ( -0.263 -2.674 -1.483) 3.069 6.018 ( -0.263 2.674 -1.483) 3.069 6.207 ( -0.079 -2.728 3.171) 4.184 6.207 ( -0.079 2.728 3.171) 4.184 7.023 ( 0.088 -4.129 -6.690) 7.862 7.023 ( 0.088 4.129 -6.690) 7.862 7.360 ( 0.241 -7.893 -1.941) 8.132 7.360 ( 0.241 7.893 -1.941) 8.132 7.682 ( -0.029 -0.835 0.847) 1.190 7.682 ( -0.029 0.835 0.847) 1.190 8.705 ( -0.173 -10.133 4.561) 11.113 8.705 ( -0.173 10.133 4.561) 11.113 12.347 ( -0.687 -2.499 0.587) 2.658 12.347 ( -0.687 2.499 0.587) 2.658 12.785 ( 3.408 -6.871 -0.996) 7.734 12.785 ( 3.408 6.871 -0.996) 7.734 12.937 ( -2.497 -4.564 1.172) 5.333 12.937 ( -2.497 4.564 1.172) 5.333 13.661 ( -0.253 -9.661 -4.097) 10.497 13.661 ( -0.253 9.661 -4.097) 10.497 13.949 ( 0.364 -7.319 -4.918) 8.826 13.949 ( 0.364 7.319 -4.918) 8.826 14.694 ( 0.703 -4.446 -4.713) 6.517 14.694 ( 0.703 4.446 -4.713) 6.517 15.364 ( -0.921 -5.455 10.460) 11.833 15.364 ( -0.921 5.455 10.460) 11.833 15.839 ( -0.647 -5.368 11.057) 12.308 15.839 ( -0.647 5.368 11.057) 12.308 16.442 ( -0.049 -6.786 5.255) 8.583 16.442 ( -0.049 6.786 5.255) 8.583 18.392 ( 0.536 -8.381 -6.294) 10.495 18.392 ( 0.536 8.381 -6.294) 10.495 19.130 ( -0.386 -5.061 1.182) 5.212 19.130 ( -0.386 5.061 1.182) 5.212 20.163 ( 0.340 -6.107 -4.870) 7.818 20.163 ( 0.340 6.107 -4.870) 7.818 ======================= Grid point 123 (65/114) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.515 -1.413 -4.068) 4.338 1.248 ( 0.515 1.413 -4.068) 4.338 1.804 ( 0.605 -6.436 -0.916) 6.529 1.804 ( 0.605 6.436 -0.916) 6.529 1.868 ( -1.949 -6.991 5.284) 8.977 1.868 ( -1.949 6.991 5.284) 8.977 2.036 ( 0.889 -7.883 3.423) 8.640 2.036 ( 0.889 7.883 3.423) 8.640 2.251 ( 0.157 -0.234 -1.617) 1.641 2.251 ( 0.157 0.234 -1.617) 1.641 2.591 ( -0.373 -6.681 1.808) 6.931 2.591 ( -0.373 6.681 1.808) 6.931 2.909 ( 0.537 -2.259 0.892) 2.488 2.909 ( 0.537 2.259 0.892) 2.488 3.443 ( -2.150 -7.730 -1.701) 8.202 3.443 ( -2.150 7.730 -1.701) 8.202 3.560 ( 1.501 -4.871 -0.527) 5.124 3.560 ( 1.501 4.871 -0.527) 5.124 4.140 ( -0.423 -13.064 7.220) 14.932 4.140 ( -0.423 13.064 7.220) 14.932 4.614 ( 0.374 -3.954 -2.169) 4.525 4.614 ( 0.374 3.954 -2.169) 4.525 4.796 ( -0.182 -5.126 5.696) 7.665 4.796 ( -0.182 5.126 5.696) 7.665 5.167 ( -0.206 -6.133 -5.315) 8.118 5.167 ( -0.206 6.133 -5.315) 8.118 5.285 ( 0.947 -3.772 -8.083) 8.970 5.285 ( 0.947 3.772 -8.083) 8.970 5.828 ( -0.147 -0.856 4.635) 4.716 5.828 ( -0.147 0.856 4.635) 4.716 6.014 ( 0.040 -2.522 -1.313) 2.844 6.014 ( 0.040 2.522 -1.313) 2.844 6.205 ( -0.373 -2.612 2.834) 3.872 6.205 ( -0.373 2.612 2.834) 3.872 7.021 ( 0.318 -3.882 -6.522) 7.597 7.021 ( 0.318 3.882 -6.522) 7.597 7.361 ( 0.006 -7.844 -2.068) 8.112 7.361 ( 0.006 7.844 -2.068) 8.112 7.684 ( 0.087 -0.778 0.915) 1.204 7.684 ( 0.087 0.778 0.915) 1.204 8.705 ( -0.211 -10.103 4.564) 11.088 8.705 ( -0.211 10.103 4.564) 11.088 12.340 ( 0.050 -2.615 0.456) 2.655 12.340 ( 0.050 2.615 0.456) 2.655 12.821 ( -1.279 -4.025 -1.282) 4.413 12.821 ( -1.279 4.025 -1.282) 4.413 12.911 ( 1.227 -1.800 1.483) 2.635 12.911 ( 1.227 1.800 1.483) 2.635 13.652 ( -0.179 -9.357 -3.918) 10.146 13.652 ( -0.179 9.357 -3.918) 10.146 13.954 ( 0.565 -7.922 -4.791) 9.275 13.954 ( 0.565 7.922 -4.791) 9.275 14.697 ( -0.028 -4.566 -4.940) 6.727 14.697 ( -0.028 4.566 -4.940) 6.727 15.359 ( -0.434 -5.312 10.492) 11.768 15.359 ( -0.434 5.312 10.492) 11.768 15.838 ( -0.377 -2.424 10.790) 11.065 15.838 ( -0.377 2.424 10.790) 11.065 16.447 ( -0.078 -7.378 5.571) 9.245 16.447 ( -0.078 7.378 5.571) 9.245 18.389 ( -0.163 -7.491 -6.485) 9.910 18.389 ( -0.163 7.491 -6.485) 9.910 19.129 ( 0.174 -5.826 1.321) 5.976 19.129 ( 0.174 5.826 1.321) 5.976 20.165 ( 0.290 -6.116 -4.886) 7.834 20.165 ( 0.290 6.116 -4.886) 7.834 ======================= Grid point 125 (66/114) ======================= q-point: (-0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.049 -1.345 -3.829) 4.059 1.250 ( 0.049 1.345 -3.829) 4.059 1.807 ( -0.556 -5.511 4.326) 7.029 1.807 ( -0.556 5.511 4.326) 7.029 1.857 ( 0.803 -5.150 -0.624) 5.250 1.857 ( 0.803 5.150 -0.624) 5.250 2.054 ( 0.401 -6.740 4.706) 8.230 2.054 ( 0.401 6.740 4.706) 8.230 2.246 ( -0.398 -0.376 -2.489) 2.549 2.246 ( -0.398 0.376 -2.489) 2.549 2.589 ( 0.086 -6.599 1.943) 6.880 2.589 ( 0.086 6.599 1.943) 6.880 2.917 ( -0.021 -1.851 1.156) 2.183 2.917 ( -0.021 1.851 1.156) 2.183 3.396 ( -1.722 -8.336 -1.360) 8.620 3.396 ( -1.722 8.336 -1.360) 8.620 3.593 ( 1.406 -4.974 -1.287) 5.327 3.593 ( 1.406 4.974 -1.287) 5.327 4.141 ( -0.137 -13.092 7.744) 15.212 4.141 ( -0.137 13.092 7.744) 15.212 4.617 ( 0.096 -3.971 -2.737) 4.824 4.617 ( 0.096 3.971 -2.737) 4.824 4.794 ( -0.528 -4.851 5.776) 7.561 4.794 ( -0.528 4.851 5.776) 7.561 5.172 ( 1.166 -6.447 -4.870) 8.163 5.172 ( 1.166 6.447 -4.870) 8.163 5.280 ( -0.672 -3.610 -8.368) 9.138 5.280 ( -0.672 3.610 -8.368) 9.138 5.828 ( -0.268 -0.756 4.670) 4.739 5.828 ( -0.268 0.756 4.670) 4.739 6.018 ( 0.413 -2.955 -1.412) 3.301 6.018 ( 0.413 2.955 -1.412) 3.301 6.201 ( -0.207 -2.557 2.903) 3.874 6.201 ( -0.207 2.557 2.903) 3.874 7.023 ( 0.513 -4.055 -6.605) 7.767 7.023 ( 0.513 4.055 -6.605) 7.767 7.358 ( -0.070 -7.955 -1.885) 8.175 7.358 ( -0.070 7.955 -1.885) 8.175 7.685 ( -0.047 -0.868 0.864) 1.225 7.685 ( -0.048 0.868 0.864) 1.225 8.705 ( -0.239 -10.143 4.577) 11.131 8.705 ( -0.239 10.144 4.577) 11.131 12.348 ( 0.652 -2.455 0.400) 2.571 12.348 ( 0.652 2.455 0.400) 2.571 12.768 ( -2.838 -5.788 -0.259) 6.452 12.768 ( -2.838 5.788 -0.259) 6.452 12.953 ( 1.893 -1.723 0.521) 2.612 12.953 ( 1.893 1.723 0.521) 2.612 13.652 ( 0.608 -9.538 -3.901) 10.323 13.652 ( 0.608 9.538 -3.901) 10.323 13.957 ( 0.093 -7.628 -4.932) 9.084 13.957 ( 0.093 7.628 -4.932) 9.084 14.688 ( -0.272 -4.871 -4.724) 6.791 14.688 ( -0.272 4.871 -4.724) 6.791 15.365 ( -0.029 -5.202 10.441) 11.665 15.365 ( -0.029 5.202 10.441) 11.665 15.841 ( -0.340 -3.387 10.771) 11.296 15.841 ( -0.340 3.387 10.771) 11.296 16.447 ( -0.437 -7.375 5.548) 9.239 16.447 ( -0.437 7.375 5.548) 9.239 18.381 ( 0.047 -7.141 -6.491) 9.650 18.381 ( 0.047 7.141 -6.491) 9.650 19.136 ( 0.265 -5.291 1.381) 5.475 19.136 ( 0.265 5.291 1.381) 5.475 20.164 ( 0.103 -6.055 -4.953) 7.823 20.164 ( 0.103 6.055 -4.953) 7.823 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -8.591 0.000 11.461) 14.324 0.976 ( -0.439 0.000 6.916) 6.930 1.259 ( 3.533 0.000 6.543) 7.436 1.767 ( 0.895 0.000 8.574) 8.621 1.877 ( 0.930 0.000 1.771) 2.000 1.886 ( 2.278 0.000 16.306) 16.465 2.114 ( -0.700 0.000 -0.806) 1.068 2.251 ( -2.349 0.000 14.916) 15.100 2.489 ( -3.243 0.000 2.002) 3.811 2.493 ( 1.104 0.000 2.117) 2.387 2.553 ( 3.333 0.000 5.718) 6.618 2.764 ( -0.913 0.000 3.473) 3.591 2.893 ( 1.760 0.000 -0.276) 1.782 3.011 ( -1.105 0.000 2.668) 2.887 3.059 ( -0.986 0.000 -7.201) 7.268 3.325 ( -0.215 0.000 -3.674) 3.681 3.445 ( -0.176 0.000 -11.779) 11.780 3.624 ( 1.300 0.000 -4.994) 5.160 3.882 ( -1.409 0.000 24.473) 24.513 4.094 ( -1.239 0.000 26.702) 26.731 4.640 ( 0.119 0.000 7.060) 7.061 4.703 ( 0.826 0.000 0.877) 1.205 4.764 ( -0.523 0.000 4.633) 4.663 4.832 ( -1.073 0.000 0.683) 1.272 5.005 ( -1.550 0.000 12.511) 12.607 5.218 ( -0.349 0.000 -4.182) 4.197 5.551 ( 1.175 0.000 -15.185) 15.230 5.745 ( 0.142 0.000 -5.879) 5.881 5.977 ( -1.296 0.000 11.943) 12.013 5.987 ( 0.334 0.000 -6.449) 6.458 6.067 ( 0.039 0.000 9.732) 9.732 6.243 ( -0.312 0.000 2.447) 2.466 6.343 ( 0.390 0.000 -0.775) 0.868 6.615 ( -0.394 0.000 7.207) 7.218 6.776 ( -0.223 0.000 -1.938) 1.950 6.937 ( -1.366 0.000 0.512) 1.458 7.099 ( 0.214 0.000 -7.814) 7.817 7.364 ( 0.521 0.000 -5.580) 5.604 7.482 ( 0.652 0.000 1.840) 1.952 7.594 ( 0.705 0.000 -14.129) 14.147 8.323 ( -1.221 0.000 8.869) 8.953 8.935 ( 0.338 0.000 -9.053) 9.060 12.258 ( -1.608 0.000 -0.326) 1.641 12.263 ( 9.876 0.000 -0.541) 9.891 12.617 ( -3.727 0.000 2.504) 4.490 12.839 ( 0.561 0.000 2.740) 2.797 12.922 ( 0.767 0.000 -0.247) 0.806 13.427 ( 4.814 0.000 -8.321) 9.613 13.680 ( -0.341 0.000 3.958) 3.973 13.992 ( -5.310 0.000 0.049) 5.310 14.310 ( -0.355 0.000 4.817) 4.830 14.434 ( 0.110 0.000 2.018) 2.021 15.010 ( -0.508 0.000 5.349) 5.373 15.236 ( 18.667 0.000 -14.839) 23.847 15.356 ( -22.240 0.000 14.278) 26.429 15.799 ( -7.101 0.000 -1.147) 7.193 16.193 ( 13.440 0.000 -8.027) 15.655 16.452 ( 0.703 0.000 -19.895) 19.907 16.779 ( -6.777 0.000 4.319) 8.036 16.999 ( 13.254 0.000 -2.679) 13.523 17.937 ( -14.995 0.000 11.486) 18.889 18.423 ( 4.119 0.000 9.559) 10.409 18.509 ( 2.151 0.000 -6.074) 6.444 19.040 ( -0.369 0.000 -10.837) 10.843 19.837 ( -0.729 0.000 15.991) 16.007 20.391 ( 0.221 0.000 -4.333) 4.339 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.330 0.000 8.772) 8.778 0.964 ( -1.185 0.000 6.560) 6.666 1.292 ( -0.407 0.000 10.112) 10.120 1.755 ( -2.606 0.000 10.091) 10.422 1.908 ( -1.931 0.000 15.341) 15.462 1.920 ( 2.619 0.000 0.260) 2.632 2.090 ( -1.367 0.000 -0.397) 1.424 2.250 ( 0.989 0.000 14.073) 14.108 2.409 ( -4.558 0.000 2.283) 5.098 2.506 ( -0.380 0.000 1.629) 1.673 2.580 ( -0.772 0.000 6.259) 6.307 2.753 ( -0.215 0.000 4.348) 4.353 2.892 ( -1.507 0.000 0.899) 1.755 3.033 ( 2.424 0.000 1.384) 2.791 3.061 ( 1.752 0.000 -7.069) 7.282 3.322 ( 0.283 0.000 -3.206) 3.218 3.413 ( -1.339 0.000 -12.559) 12.630 3.653 ( 1.518 0.000 -4.967) 5.193 3.876 ( -1.280 0.000 24.676) 24.709 4.085 ( -1.872 0.000 26.407) 26.473 4.633 ( -1.371 0.000 7.660) 7.782 4.680 ( -2.225 0.000 1.509) 2.688 4.780 ( 0.828 0.000 0.982) 1.284 4.835 ( 1.231 0.000 4.014) 4.199 5.007 ( 0.465 0.000 13.144) 13.153 5.215 ( 0.460 0.000 -4.555) 4.578 5.553 ( 0.455 0.000 -15.408) 15.414 5.743 ( 0.245 0.000 -5.765) 5.770 5.972 ( -0.291 0.000 12.390) 12.394 5.987 ( 0.276 0.000 -6.539) 6.545 6.083 ( 0.395 0.000 9.780) 9.788 6.242 ( 0.003 0.000 2.597) 2.597 6.347 ( 0.054 0.000 -0.881) 0.883 6.614 ( -0.360 0.000 7.339) 7.348 6.772 ( -0.006 0.000 -1.836) 1.836 6.920 ( -0.169 0.000 1.236) 1.247 7.095 ( 0.183 0.000 -7.740) 7.742 7.370 ( 0.538 0.000 -5.852) 5.877 7.493 ( 0.235 0.000 0.418) 0.479 7.595 ( 0.657 0.000 -13.931) 13.947 8.329 ( 0.829 0.000 9.820) 9.855 8.934 ( 0.371 0.000 -9.082) 9.090 12.207 ( -10.968 0.000 2.501) 11.250 12.240 ( 0.093 0.000 -1.166) 1.169 12.701 ( 7.276 0.000 -0.326) 7.283 12.857 ( 0.822 0.000 5.227) 5.291 12.921 ( -0.951 0.000 -1.590) 1.852 13.550 ( 5.170 0.000 -17.066) 17.831 13.674 ( -0.495 0.000 4.095) 4.125 13.994 ( 8.045 0.000 -4.868) 9.403 14.307 ( -0.290 0.000 4.583) 4.592 14.426 ( -1.476 0.000 1.195) 1.899 14.962 ( -18.712 0.000 20.017) 27.401 15.042 ( 2.905 0.000 6.030) 6.693 15.606 ( 20.528 0.000 -19.793) 28.516 15.683 ( -3.988 0.000 -5.391) 6.706 16.339 ( -0.837 0.000 -1.770) 1.958 16.398 ( -4.818 0.000 -13.595) 14.423 16.716 ( 2.832 0.000 0.996) 3.002 17.132 ( -4.132 0.000 -2.558) 4.859 17.727 ( -1.822 0.000 13.804) 13.923 18.503 ( 2.406 0.000 9.180) 9.490 18.518 ( -0.866 0.000 -5.353) 5.423 19.037 ( 1.148 0.000 -11.130) 11.189 19.844 ( -0.112 0.000 15.679) 15.679 20.391 ( 0.179 0.000 -4.322) 4.326 ======================= Grid point 145 (69/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.028 0.000 2.818) 2.818 0.963 ( 7.489 0.000 3.894) 8.441 1.266 ( -3.753 0.000 13.208) 13.731 1.719 ( -1.531 0.000 12.544) 12.637 1.854 ( -4.025 0.000 16.969) 17.440 1.931 ( -2.074 0.000 6.212) 6.549 2.087 ( 1.443 0.000 -4.916) 5.124 2.307 ( 3.429 0.000 15.433) 15.809 2.347 ( -1.764 0.000 1.878) 2.577 2.486 ( -1.135 0.000 -1.138) 1.607 2.558 ( -1.581 0.000 5.668) 5.885 2.765 ( 0.656 0.000 4.729) 4.774 2.865 ( -1.085 0.000 0.277) 1.120 3.064 ( 0.288 0.000 2.292) 2.310 3.092 ( 1.483 0.000 -6.162) 6.338 3.328 ( 0.567 0.000 -3.940) 3.981 3.396 ( 0.987 0.000 -12.297) 12.337 3.658 ( -0.579 0.000 -5.273) 5.305 3.878 ( -0.805 0.000 24.593) 24.606 4.077 ( -1.203 0.000 26.467) 26.494 4.616 ( -0.748 0.000 7.809) 7.845 4.651 ( -0.665 0.000 3.280) 3.347 4.792 ( 0.453 0.000 -1.834) 1.889 4.859 ( 0.405 0.000 5.229) 5.245 5.030 ( 0.319 0.000 13.232) 13.236 5.224 ( 0.682 0.000 -4.182) 4.238 5.545 ( 0.208 0.000 -15.493) 15.494 5.745 ( 0.373 0.000 -5.674) 5.686 5.981 ( -0.051 0.000 12.468) 12.468 5.986 ( 0.252 0.000 -6.547) 6.552 6.089 ( -0.653 0.000 8.339) 8.365 6.246 ( 0.127 0.000 2.219) 2.222 6.343 ( -0.308 0.000 -1.001) 1.047 6.614 ( -0.256 0.000 7.230) 7.234 6.774 ( 0.385 0.000 -1.599) 1.645 6.933 ( 1.209 0.000 1.448) 1.886 7.095 ( 0.474 0.000 -7.774) 7.788 7.370 ( 0.022 0.000 -6.044) 6.044 7.488 ( -0.654 0.000 -0.237) 0.696 7.594 ( 0.558 0.000 -13.940) 13.951 8.354 ( 0.516 0.000 8.331) 8.347 8.934 ( 0.478 0.000 -9.017) 9.030 12.024 ( -6.552 0.000 4.505) 7.952 12.259 ( 1.657 0.000 -0.702) 1.800 12.780 ( 0.765 0.000 2.106) 2.241 12.868 ( -1.001 0.000 5.341) 5.434 12.894 ( -0.597 0.000 -2.002) 2.089 13.528 ( -4.446 0.000 -8.807) 9.865 13.673 ( -0.016 0.000 4.101) 4.101 14.203 ( 7.622 0.000 -19.031) 20.500 14.308 ( -0.055 0.000 4.542) 4.543 14.382 ( -1.158 0.000 2.605) 2.850 14.751 ( -2.803 0.000 13.443) 13.732 15.085 ( -0.275 0.000 8.881) 8.885 15.682 ( 5.442 0.000 -9.521) 10.966 15.939 ( 12.875 0.000 -17.947) 22.087 16.207 ( -9.846 0.000 -1.774) 10.004 16.250 ( -7.745 0.000 -1.355) 7.862 16.829 ( 5.580 0.000 3.246) 6.455 16.923 ( -11.299 0.000 -2.450) 11.562 17.872 ( 11.145 0.000 10.432) 15.265 18.483 ( -1.504 0.000 -7.359) 7.511 18.508 ( -2.882 0.000 7.376) 7.919 19.054 ( 1.241 0.000 -10.055) 10.131 19.851 ( -0.660 0.000 15.110) 15.124 20.391 ( 0.170 0.000 -4.330) 4.333 ======================= Grid point 146 (70/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.776 0.000 3.097) 3.193 1.100 ( 1.109 0.000 2.090) 2.366 1.178 ( -2.217 0.000 14.130) 14.303 1.730 ( 1.334 0.000 11.744) 11.820 1.833 ( 0.672 0.000 17.909) 17.922 1.887 ( -2.147 0.000 5.477) 5.883 2.112 ( 1.090 0.000 -3.713) 3.870 2.297 ( -3.262 0.000 13.968) 14.343 2.431 ( 6.826 0.000 5.569) 8.810 2.477 ( 0.319 0.000 -0.593) 0.674 2.538 ( -1.172 0.000 3.642) 3.826 2.773 ( -0.261 0.000 3.755) 3.764 2.861 ( 0.879 0.000 -0.348) 0.945 3.047 ( -2.098 0.000 2.952) 3.622 3.091 ( -1.042 0.000 -6.340) 6.425 3.331 ( 0.049 0.000 -4.327) 4.327 3.426 ( 2.673 0.000 -11.251) 11.564 3.631 ( -1.289 0.000 -5.477) 5.627 3.884 ( -0.935 0.000 24.381) 24.398 4.085 ( -0.488 0.000 26.812) 26.816 4.623 ( 0.655 0.000 7.260) 7.289 4.666 ( 1.749 0.000 3.851) 4.229 4.786 ( -1.044 0.000 -0.584) 1.197 4.855 ( -1.123 0.000 3.098) 3.295 5.029 ( -1.554 0.000 12.498) 12.594 5.227 ( -0.042 0.000 -3.724) 3.724 5.542 ( 0.931 0.000 -15.271) 15.299 5.746 ( 0.283 0.000 -5.783) 5.790 5.986 ( 0.311 0.000 -6.457) 6.464 5.987 ( -0.578 0.000 12.316) 12.330 6.074 ( -1.396 0.000 7.896) 8.019 6.247 ( -0.238 0.000 2.028) 2.042 6.339 ( 0.024 0.000 -0.897) 0.897 6.616 ( -0.293 0.000 7.102) 7.108 6.779 ( 0.163 0.000 -1.697) 1.705 6.951 ( 0.152 0.000 0.652) 0.669 7.098 ( 0.536 0.000 -7.847) 7.865 7.364 ( -0.031 0.000 -5.775) 5.775 7.476 ( -0.376 0.000 1.157) 1.216 7.593 ( 0.614 0.000 -14.138) 14.151 8.350 ( -1.671 0.000 7.236) 7.427 8.935 ( 0.444 0.000 -8.989) 9.000 12.036 ( 8.131 0.000 4.201) 9.152 12.278 ( -0.053 0.000 0.230) 0.236 12.734 ( -5.622 0.000 3.405) 6.573 12.840 ( -1.037 0.000 0.805) 1.313 12.904 ( 0.914 0.000 1.297) 1.587 13.432 ( -3.848 0.000 -4.292) 5.765 13.678 ( 0.125 0.000 3.965) 3.967 14.129 ( -8.190 0.000 -4.120) 9.168 14.311 ( -0.144 0.000 4.774) 4.776 14.421 ( 1.456 0.000 1.410) 2.026 14.904 ( 16.006 0.000 -9.609) 18.669 15.047 ( -3.385 0.000 7.578) 8.299 15.779 ( -21.586 0.000 9.287) 23.499 15.841 ( 8.278 0.000 -4.260) 9.310 16.045 ( -3.839 0.000 -7.415) 8.350 16.359 ( 11.709 0.000 -17.501) 21.057 16.825 ( 2.371 0.000 -4.063) 4.704 16.869 ( -2.044 0.000 5.598) 5.960 18.049 ( 4.066 0.000 10.490) 11.251 18.420 ( -5.391 0.000 6.957) 8.802 18.474 ( 1.431 0.000 -8.062) 8.189 19.057 ( -0.131 0.000 -9.816) 9.817 19.844 ( -1.306 0.000 15.407) 15.463 20.391 ( 0.212 0.000 -4.341) 4.346 ======================= Grid point 147 (71/114) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 2.909 1.101 9.942) 10.417 1.084 ( -1.743 2.912 3.191) 4.659 1.273 ( -3.948 3.819 10.345) 11.713 1.694 ( 1.449 -4.431 13.731) 14.501 1.798 ( -1.177 -6.212 13.857) 15.231 1.939 ( -1.281 2.488 -0.630) 2.868 2.149 ( 1.300 5.839 0.474) 6.001 2.309 ( -0.628 0.403 2.043) 2.175 2.462 ( 0.638 -2.061 2.834) 3.561 2.479 ( -0.851 -1.955 1.753) 2.760 2.545 ( 1.647 -0.637 9.414) 9.579 2.754 ( 0.095 0.680 6.579) 6.615 2.908 ( 1.256 1.399 0.758) 2.026 3.018 ( -0.330 0.688 1.551) 1.728 3.040 ( -1.222 -1.359 -9.022) 9.205 3.400 ( -0.229 5.631 -2.103) 6.015 3.472 ( -0.062 2.095 -10.464) 10.672 3.636 ( 0.981 1.743 -5.723) 6.062 3.936 ( -1.269 5.450 23.206) 23.871 4.095 ( -1.070 0.130 25.354) 25.377 4.484 ( -1.105 -12.437 14.837) 19.392 4.716 ( 1.956 -0.308 0.724) 2.109 4.755 ( -1.451 -0.278 0.950) 1.756 4.819 ( -0.485 -0.324 1.795) 1.887 5.052 ( -1.031 2.370 4.798) 5.449 5.169 ( -0.411 -3.869 -4.206) 5.729 5.532 ( 1.089 -1.908 -14.772) 14.935 5.744 ( 0.380 -1.427 -9.509) 9.623 5.849 ( -0.331 -5.997 4.595) 7.562 6.081 ( -1.016 2.582 6.419) 6.993 6.106 ( 0.569 3.923 3.901) 5.561 6.234 ( -0.204 -0.588 4.535) 4.577 6.337 ( 0.088 -0.391 0.138) 0.424 6.646 ( -0.161 2.485 5.292) 5.849 6.759 ( -0.258 -2.534 -1.191) 2.811 6.866 ( -1.043 -4.711 1.058) 4.940 7.094 ( 0.272 -0.640 -7.823) 7.854 7.369 ( 0.592 0.025 -7.136) 7.161 7.499 ( 0.196 3.486 0.269) 3.502 7.689 ( 0.706 6.234 -10.497) 12.229 8.312 ( -1.075 -0.586 10.216) 10.289 8.949 ( 0.324 1.116 -8.608) 8.686 12.241 ( 6.325 -0.161 0.873) 6.387 12.299 ( 1.455 2.174 -0.742) 2.719 12.615 ( -3.597 -0.149 3.784) 5.223 12.842 ( -0.061 0.003 2.213) 2.213 12.932 ( 0.016 1.030 -1.519) 1.835 13.385 ( 2.631 -3.953 -7.101) 8.543 13.648 ( 0.467 -2.474 1.665) 3.019 13.959 ( -5.343 -4.230 -1.452) 6.967 14.282 ( -0.339 -2.240 5.063) 5.546 14.467 ( 0.379 2.229 2.197) 3.152 14.801 ( 1.251 -16.597 5.688) 17.589 15.129 ( 9.945 -7.405 -10.605) 16.315 15.352 ( -12.755 1.382 12.560) 17.955 15.941 ( -3.895 3.201 -6.792) 8.459 16.058 ( 9.016 -6.355 -6.530) 12.818 16.385 ( -3.401 -6.087 -5.271) 8.741 16.807 ( -1.381 0.035 -1.102) 1.767 16.937 ( 7.311 -4.315 -1.806) 8.679 17.970 ( -7.531 2.069 8.971) 11.894 18.441 ( 4.508 1.754 7.690) 9.085 18.554 ( -0.696 4.553 -5.665) 7.301 19.085 ( -0.590 3.939 -10.067) 10.826 19.847 ( -0.555 0.832 14.361) 14.396 20.384 ( 0.198 -0.840 -4.612) 4.692 ======================= Grid point 148 (72/114) ======================= q-point: ( 0.25 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.214 8.463 7.149) 11.298 1.015 ( -0.662 4.271 5.228) 6.783 1.255 ( 0.764 -2.704 11.167) 11.515 1.691 ( -3.688 -7.168 18.250) 19.951 1.775 ( -0.807 -5.310 9.296) 10.736 1.955 ( 2.583 2.335 -3.139) 4.688 2.154 ( -1.127 4.586 2.922) 5.553 2.307 ( 0.256 1.027 1.466) 1.808 2.378 ( -4.995 -2.880 1.850) 6.055 2.509 ( -0.322 1.246 4.887) 5.054 2.586 ( 1.736 -1.081 7.180) 7.466 2.756 ( -0.639 2.114 7.921) 8.223 2.916 ( -0.940 2.267 1.969) 3.147 3.024 ( 1.575 -2.532 -7.387) 7.966 3.038 ( 1.285 0.129 -1.448) 1.940 3.402 ( 0.469 5.830 -2.086) 6.210 3.435 ( -1.791 1.895 -11.439) 11.733 3.666 ( 1.825 1.705 -5.402) 5.952 3.932 ( -1.184 5.564 23.369) 24.052 4.087 ( -1.848 0.186 25.118) 25.187 4.467 ( -1.632 -12.252 14.806) 19.287 4.715 ( -1.320 1.274 -1.387) 2.300 4.769 ( 1.706 -1.587 3.758) 4.421 4.817 ( 0.150 -0.467 1.749) 1.817 5.052 ( 0.553 2.719 5.956) 6.571 5.159 ( 0.015 -4.599 -4.824) 6.665 5.536 ( 0.558 -1.864 -14.916) 15.042 5.743 ( 0.440 -1.355 -9.503) 9.610 5.853 ( 0.239 -5.713 4.763) 7.442 6.075 ( -0.227 3.301 4.726) 5.769 6.119 ( 0.297 2.948 5.492) 6.241 6.230 ( -0.568 -0.811 4.549) 4.656 6.344 ( 0.428 -0.261 0.330) 0.600 6.648 ( -0.144 2.842 5.431) 6.132 6.752 ( -0.224 -2.867 -1.175) 3.106 6.855 ( -0.063 -4.261 1.608) 4.555 7.091 ( 0.224 -0.550 -7.734) 7.757 7.367 ( -0.001 -0.478 -7.680) 7.695 7.504 ( 0.232 3.144 0.005) 3.153 7.693 ( 0.570 6.258 -10.648) 12.364 8.318 ( 0.583 -0.579 11.010) 11.040 8.949 ( 0.441 1.201 -8.657) 8.751 12.227 ( -9.074 1.745 2.156) 9.488 12.269 ( -0.048 2.638 -0.717) 2.734 12.692 ( 7.738 -0.811 0.483) 7.795 12.838 ( -0.516 -1.766 5.171) 5.488 12.924 ( -0.655 0.649 -2.589) 2.748 13.462 ( 4.235 -7.451 -13.357) 15.870 13.649 ( -0.674 -2.354 1.492) 2.867 13.938 ( 4.681 -5.509 -2.909) 7.793 14.278 ( -0.504 -2.291 4.638) 5.198 14.465 ( -0.911 2.618 1.594) 3.197 14.748 ( -6.967 -12.450 10.860) 17.930 15.142 ( -4.523 0.849 5.892) 7.477 15.401 ( 11.934 -9.309 -7.377) 16.837 15.852 ( -0.922 7.335 -7.400) 10.460 16.216 ( 1.628 -9.652 -1.574) 9.914 16.270 ( -4.522 -8.799 -6.987) 12.112 16.744 ( -1.908 0.748 0.636) 2.146 17.088 ( 4.095 -5.620 -4.159) 8.102 17.852 ( -2.903 9.287 8.747) 13.084 18.469 ( -2.852 1.829 7.162) 7.923 18.575 ( 3.121 1.611 -3.107) 4.689 19.078 ( 0.935 3.657 -10.385) 11.050 19.854 ( -0.132 0.813 14.031) 14.055 20.384 ( 0.209 -0.838 -4.592) 4.672 ======================= Grid point 149 (73/114) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -3.516 0.498 7.470) 8.271 1.057 ( 1.536 1.991 2.043) 3.240 1.304 ( 2.794 4.241 12.687) 13.665 1.643 ( -2.143 -7.265 20.451) 21.809 1.765 ( -1.023 -0.982 7.593) 7.724 2.022 ( 4.278 2.704 -1.351) 5.239 2.104 ( -4.199 2.416 1.879) 5.196 2.313 ( -0.864 -2.769 0.614) 2.965 2.340 ( 2.664 -0.414 3.763) 4.629 2.471 ( -3.404 0.928 4.079) 5.393 2.604 ( -0.828 1.746 6.544) 6.823 2.752 ( -0.477 0.986 9.144) 9.210 2.896 ( -0.840 2.152 0.812) 2.449 3.048 ( 0.290 -0.995 -3.678) 3.821 3.061 ( 1.514 -2.355 -4.120) 4.981 3.405 ( 0.816 3.521 -7.202) 8.058 3.418 ( 0.435 3.857 -6.263) 7.368 3.677 ( -0.246 2.181 -5.897) 6.292 3.933 ( -0.831 5.541 23.316) 23.979 4.077 ( -1.263 0.059 25.504) 25.535 4.461 ( -0.249 -11.298 14.784) 18.608 4.692 ( -0.980 1.024 0.537) 1.516 4.787 ( 0.269 -0.574 -1.360) 1.500 4.828 ( 0.369 -1.483 5.345) 5.559 5.072 ( 0.574 3.022 5.994) 6.738 5.163 ( 0.711 -5.478 -4.708) 7.258 5.530 ( 0.253 -1.640 -15.061) 15.152 5.744 ( 0.474 -1.485 -9.434) 9.562 5.860 ( -0.082 -5.711 4.358) 7.184 6.079 ( 0.175 3.471 4.658) 5.812 6.121 ( -0.590 2.563 4.562) 5.265 6.225 ( -0.238 -1.124 4.650) 4.790 6.348 ( -0.071 0.066 0.218) 0.239 6.648 ( -0.332 2.854 5.271) 6.003 6.752 ( 0.371 -2.950 -0.971) 3.128 6.866 ( 0.911 -4.559 1.777) 4.978 7.091 ( 0.424 -0.515 -7.752) 7.781 7.360 ( 0.007 -0.734 -7.018) 7.056 7.505 ( -0.164 3.190 -0.443) 3.225 7.691 ( 0.285 6.217 -11.123) 12.746 8.338 ( 0.214 -0.980 9.737) 9.788 8.950 ( 0.460 1.248 -8.638) 8.739 12.064 ( -6.053 3.684 4.314) 8.296 12.285 ( 1.230 2.349 -0.581) 2.715 12.773 ( -0.097 -0.511 2.368) 2.425 12.842 ( 0.408 -2.464 4.000) 4.716 12.912 ( 0.102 1.621 -2.104) 2.658 13.469 ( -2.109 -5.494 -9.589) 11.251 13.634 ( -0.644 -3.101 3.189) 4.494 14.088 ( 8.065 -10.748 -14.942) 20.096 14.276 ( 0.074 -2.400 4.849) 5.411 14.431 ( -2.109 3.471 1.353) 4.281 14.628 ( -3.996 -9.006 13.782) 16.941 15.103 ( -2.012 -0.088 7.769) 8.025 15.563 ( 7.398 -8.803 -10.288) 15.430 15.909 ( -0.450 -8.979 -3.064) 9.498 16.045 ( -4.670 1.387 -2.234) 5.360 16.333 ( 4.474 -2.856 -9.510) 10.891 16.705 ( -3.719 -5.704 5.836) 8.968 17.073 ( -3.129 4.879 -6.977) 9.071 17.910 ( 6.351 4.101 10.849) 13.224 18.403 ( -3.462 -1.290 1.895) 4.152 18.607 ( 0.061 4.133 -1.125) 4.284 19.096 ( 1.424 3.669 -9.721) 10.488 19.859 ( -0.694 0.636 13.613) 13.646 20.384 ( 0.222 -0.798 -4.674) 4.747 ======================= Grid point 150 (74/114) ======================= q-point: (-0.25 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.775 -3.381 8.635) 9.305 1.078 ( 0.875 -1.790 3.072) 3.661 1.335 ( -1.693 9.891 10.273) 14.360 1.652 ( 1.064 -5.300 17.376) 18.197 1.772 ( 1.331 -0.907 9.984) 10.113 2.004 ( -4.955 2.844 5.170) 7.705 2.107 ( 3.336 2.959 -3.691) 5.788 2.318 ( 0.256 -0.865 2.258) 2.431 2.419 ( 1.991 -3.806 -0.720) 4.356 2.433 ( 2.933 -0.239 7.321) 7.890 2.571 ( -3.045 1.874 7.056) 7.911 2.751 ( -0.378 0.020 7.402) 7.411 2.891 ( 0.298 1.815 0.688) 1.964 3.034 ( -1.182 -0.251 0.119) 1.214 3.068 ( -0.467 -2.046 -7.599) 7.884 3.410 ( -0.413 5.899 -2.117) 6.281 3.443 ( 3.084 1.300 -10.085) 10.626 3.652 ( -1.477 2.396 -6.371) 6.966 3.938 ( -0.916 5.414 23.146) 23.789 4.085 ( -0.411 0.049 25.766) 25.769 4.477 ( 0.311 -11.455 14.830) 18.741 4.688 ( 0.589 0.196 1.350) 1.485 4.780 ( -0.858 -0.346 -2.050) 2.249 4.829 ( -0.667 -1.065 4.544) 4.715 5.072 ( -1.062 2.545 4.653) 5.409 5.172 ( 0.478 -4.635 -3.848) 6.043 5.526 ( 0.793 -1.683 -14.920) 15.036 5.745 ( 0.416 -1.564 -9.453) 9.591 5.856 ( -0.632 -5.991 4.158) 7.320 6.087 ( 0.126 2.898 7.264) 7.821 6.106 ( -1.098 3.358 2.023) 4.071 6.229 ( 0.181 -0.920 4.626) 4.720 6.342 ( -0.476 -0.044 0.021) 0.478 6.646 ( -0.317 2.496 5.151) 5.733 6.759 ( 0.306 -2.628 -0.992) 2.826 6.878 ( -0.057 -5.032 1.151) 5.163 7.093 ( 0.486 -0.600 -7.840) 7.877 7.360 ( 0.674 -0.230 -6.333) 6.373 7.499 ( -0.244 3.538 -0.257) 3.556 7.687 ( 0.393 6.192 -11.011) 12.639 8.333 ( -1.519 -1.008 8.852) 9.038 8.950 ( 0.332 1.163 -8.592) 8.677 12.066 ( 6.342 2.945 4.405) 8.264 12.299 ( 0.040 1.859 0.009) 1.860 12.720 ( -5.320 -1.270 4.203) 6.898 12.841 ( -0.217 -0.138 0.433) 0.503 12.925 ( 0.818 1.908 -0.417) 2.117 13.402 ( -3.177 -3.022 -4.957) 6.618 13.636 ( 0.447 -3.240 2.595) 4.175 14.084 ( -5.891 -6.296 -8.204) 11.901 14.282 ( -0.141 -2.392 5.320) 5.834 14.446 ( 1.981 1.967 0.661) 2.868 14.680 ( 8.070 -15.411 4.569) 17.986 15.061 ( -1.695 -0.815 2.473) 3.107 15.604 ( -10.696 -5.298 7.125) 13.901 15.818 ( 6.866 -13.611 -10.640) 18.590 16.075 ( -1.103 6.310 -5.005) 8.129 16.408 ( 2.400 0.644 -7.219) 7.634 16.681 ( 4.748 -8.712 1.535) 10.040 16.991 ( -5.463 5.744 -3.221) 8.556 18.021 ( 2.279 -1.683 11.600) 11.941 18.374 ( 0.874 -0.700 1.620) 1.970 18.583 ( -1.809 6.574 -3.507) 7.667 19.102 ( 0.020 3.977 -9.440) 10.244 19.852 ( -1.144 0.653 13.934) 13.997 20.384 ( 0.210 -0.800 -4.695) 4.767 ======================= Grid point 151 (75/114) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 7.814 6.506 5.754) 11.683 1.087 ( 1.760 -0.134 2.356) 2.944 1.403 ( -8.301 4.714 10.591) 14.258 1.629 ( -1.071 -0.243 18.022) 18.055 1.709 ( -3.120 -0.318 9.162) 9.684 2.009 ( -0.284 3.654 -4.566) 5.855 2.236 ( 3.430 -1.293 -5.354) 6.489 2.273 ( -2.706 -0.556 -0.330) 2.782 2.406 ( -1.096 -3.147 2.196) 3.991 2.413 ( 3.702 -3.901 2.762) 6.046 2.512 ( -0.568 -1.927 6.992) 7.275 2.807 ( 0.739 2.608 6.949) 7.459 2.926 ( 1.280 -0.898 -2.945) 3.334 3.030 ( -0.038 0.265 -5.819) 5.826 3.048 ( -0.813 3.489 5.158) 6.280 3.488 ( 0.417 2.034 -2.688) 3.396 3.518 ( -0.365 2.375 -6.442) 6.876 3.720 ( 0.522 6.195 -7.430) 9.688 4.086 ( -0.953 3.060 22.605) 22.831 4.121 ( -1.267 7.266 18.647) 20.053 4.205 ( -1.140 -11.874 17.307) 21.019 4.685 ( 1.574 -2.277 1.771) 3.286 4.762 ( -0.947 0.369 -2.394) 2.601 4.826 ( -0.623 1.035 3.272) 3.488 5.009 ( -0.484 -5.628 -3.321) 6.553 5.152 ( -0.325 2.139 -2.190) 3.079 5.470 ( 0.706 -4.070 -13.670) 14.280 5.596 ( 1.044 -11.504 -14.944) 18.888 5.806 ( -0.220 0.423 5.646) 5.666 6.127 ( -0.385 1.443 4.518) 4.759 6.160 ( 0.115 1.320 1.627) 2.098 6.211 ( -0.294 -2.193 8.175) 8.469 6.330 ( -0.048 -0.307 1.560) 1.591 6.609 ( -0.152 -8.924 1.723) 9.090 6.715 ( -0.143 2.188 1.535) 2.677 6.848 ( -0.305 2.759 0.452) 2.813 7.068 ( 0.269 -1.855 -7.983) 8.200 7.385 ( 0.125 1.554 -7.088) 7.257 7.589 ( 0.138 4.185 -0.113) 4.189 7.785 ( 0.565 2.376 -7.794) 8.167 8.330 ( -0.778 3.067 12.150) 12.555 8.969 ( 0.312 0.599 -7.000) 7.032 12.259 ( 5.403 1.805 1.933) 6.015 12.348 ( -0.016 2.479 -0.637) 2.560 12.611 ( -2.343 -0.376 5.483) 5.974 12.836 ( -0.599 -0.373 0.750) 1.030 12.966 ( -0.879 2.138 -2.611) 3.488 13.270 ( -0.080 -7.119 -6.928) 9.934 13.597 ( 0.616 -2.222 -1.222) 2.610 13.799 ( -2.761 -10.056 -0.678) 10.450 14.213 ( -0.306 -5.142 4.398) 6.773 14.448 ( 0.323 -7.725 10.366) 12.932 14.550 ( 3.650 -2.753 -5.605) 7.233 14.975 ( 0.615 -7.694 -6.664) 10.197 15.386 ( -6.668 1.814 10.099) 12.237 15.755 ( 12.500 -10.606 -10.551) 19.495 16.089 ( -8.335 0.432 2.698) 8.771 16.280 ( -3.131 -2.725 2.601) 4.898 16.672 ( 8.500 -10.719 3.086) 14.024 16.890 ( -5.924 -2.562 -3.508) 7.346 18.007 ( -1.374 1.996 7.538) 7.918 18.466 ( 5.936 0.164 -1.274) 6.073 18.704 ( -2.973 9.243 -1.539) 9.830 19.178 ( -0.833 4.446 -7.818) 9.032 19.867 ( -0.303 1.114 10.063) 10.129 20.350 ( 0.249 -2.563 -5.167) 5.773 ======================= Grid point 152 (76/114) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -3.397 0.050 2.899) 4.466 1.123 ( -1.377 2.856 3.284) 4.565 1.304 ( 2.175 10.311 12.585) 16.414 1.561 ( -4.350 -1.943 18.874) 19.466 1.731 ( 2.263 -0.047 7.520) 7.854 2.015 ( 1.326 3.039 -4.497) 5.587 2.219 ( -2.914 0.605 0.232) 2.985 2.272 ( 1.002 -2.946 -4.907) 5.810 2.316 ( -5.097 -2.828 1.876) 6.124 2.501 ( 2.648 -2.920 2.871) 4.877 2.532 ( 1.181 -2.650 7.110) 7.679 2.837 ( 1.169 3.392 8.111) 8.868 2.955 ( 2.014 -2.592 -6.216) 7.029 3.001 ( -3.059 4.263 2.779) 5.938 3.042 ( 0.355 0.507 -0.779) 0.995 3.475 ( -1.996 1.701 -8.815) 9.196 3.501 ( 0.516 3.136 -1.315) 3.440 3.745 ( 1.956 5.842 -7.120) 9.415 4.082 ( -1.470 -0.094 22.708) 22.756 4.110 ( -1.220 9.410 18.277) 20.593 4.203 ( -0.622 -10.210 17.676) 20.423 4.721 ( 0.485 -2.191 3.517) 4.172 4.740 ( 0.113 0.242 -3.337) 3.348 4.820 ( -0.208 0.761 2.895) 3.000 5.009 ( 0.789 -6.062 -3.561) 7.075 5.140 ( -0.544 2.676 -1.675) 3.203 5.472 ( 0.716 -4.339 -13.449) 14.149 5.600 ( 0.711 -11.094 -15.006) 18.675 5.811 ( 0.192 0.397 5.604) 5.621 6.129 ( 0.223 1.529 1.992) 2.522 6.161 ( -0.219 1.192 3.679) 3.873 6.207 ( -0.833 -1.994 8.463) 8.734 6.335 ( 0.311 -0.645 1.564) 1.720 6.608 ( -0.051 -9.272 1.652) 9.418 6.714 ( -0.127 2.829 1.746) 3.326 6.842 ( -0.228 2.769 0.609) 2.845 7.068 ( 0.385 -1.778 -7.841) 8.049 7.375 ( -0.280 1.353 -7.134) 7.267 7.590 ( 0.009 4.154 -0.068) 4.155 7.788 ( 0.342 2.230 -8.026) 8.337 8.336 ( 0.152 3.048 12.525) 12.892 8.970 ( 0.414 0.623 -7.061) 7.101 12.269 ( -5.339 2.026 1.820) 5.993 12.334 ( 0.194 3.349 -0.187) 3.360 12.670 ( 6.896 -1.402 2.770) 7.563 12.805 ( -2.565 -0.765 3.028) 4.041 12.953 ( -0.133 2.050 -2.937) 3.585 13.288 ( 2.428 -8.765 -10.122) 13.608 13.592 ( -1.023 -2.730 -0.379) 2.940 13.779 ( 0.932 -8.964 0.683) 9.039 14.209 ( -0.398 -5.025 3.881) 6.362 14.453 ( -0.690 -6.767 9.926) 12.033 14.567 ( -1.667 -1.996 -5.112) 5.735 15.004 ( 2.171 -10.878 -8.636) 14.058 15.333 ( 0.177 0.798 10.504) 10.536 15.926 ( -6.193 -5.104 -1.803) 8.225 15.985 ( 10.733 -5.842 -7.724) 14.456 16.183 ( -7.271 0.161 4.977) 8.813 16.695 ( -4.395 -6.093 3.677) 8.365 16.923 ( 7.422 -8.698 -2.716) 11.753 17.993 ( -0.417 4.135 5.567) 6.947 18.568 ( 1.030 -1.538 -7.443) 7.670 18.620 ( -2.180 10.777 6.624) 12.837 19.168 ( 0.756 4.543 -8.073) 9.294 19.873 ( -0.133 0.984 9.817) 9.868 20.351 ( 0.287 -2.482 -5.168) 5.740 ======================= Grid point 153 (77/114) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -7.146 1.989 8.442) 11.238 1.081 ( -2.372 3.356 3.949) 5.700 1.423 ( 5.708 6.410 11.842) 14.626 1.547 ( 0.898 -0.818 16.665) 16.709 1.773 ( 1.228 1.191 6.599) 6.817 2.059 ( 4.011 1.360 -5.023) 6.570 2.148 ( -4.832 1.211 -0.202) 4.986 2.257 ( -0.906 -2.033 0.880) 2.393 2.289 ( 1.859 -3.546 -2.953) 4.975 2.482 ( -3.534 -0.845 1.671) 3.999 2.572 ( 0.982 -3.542 7.791) 8.615 2.841 ( -1.848 4.895 10.752) 11.957 2.941 ( -1.899 0.476 -2.970) 3.557 3.000 ( 2.416 -0.599 -2.676) 3.655 3.045 ( -0.124 -0.112 -0.647) 0.668 3.446 ( 0.300 2.005 -9.816) 10.023 3.513 ( 0.491 3.052 -0.264) 3.102 3.760 ( 0.123 5.609 -7.545) 9.403 4.077 ( -0.987 -0.434 21.798) 21.824 4.111 ( -0.504 10.901 19.494) 22.341 4.209 ( -0.455 -10.690 18.001) 20.941 4.694 ( -1.786 -0.640 0.723) 2.031 4.767 ( 1.213 -1.390 -1.956) 2.689 4.824 ( 0.328 0.935 4.335) 4.447 5.024 ( 0.853 -7.061 -4.163) 8.241 5.136 ( 0.379 3.175 -0.944) 3.334 5.473 ( 0.539 -3.937 -13.558) 14.129 5.596 ( 0.312 -11.392 -15.194) 18.993 5.816 ( -0.265 0.334 5.590) 5.607 6.139 ( 0.654 1.670 0.525) 1.868 6.155 ( -0.868 1.254 3.983) 4.265 6.201 ( -0.486 -2.301 9.222) 9.517 6.339 ( -0.082 -0.840 1.319) 1.566 6.609 ( 0.010 -9.491 1.461) 9.603 6.714 ( -0.006 2.930 1.619) 3.347 6.843 ( 0.259 2.334 0.977) 2.543 7.069 ( 0.445 -1.626 -7.840) 8.019 7.370 ( 0.449 1.716 -6.345) 6.588 7.589 ( -0.127 4.081 -0.138) 4.085 7.785 ( 0.171 2.197 -8.260) 8.549 8.348 ( -0.283 2.593 11.620) 11.909 8.972 ( 0.325 0.571 -7.053) 7.083 12.161 ( -4.393 5.173 3.864) 7.809 12.343 ( 0.414 2.960 -0.429) 3.019 12.753 ( -3.129 -2.454 4.601) 6.082 12.787 ( 4.081 -1.321 0.469) 4.315 12.958 ( 0.946 2.670 -2.569) 3.824 13.319 ( 1.044 -8.622 -10.304) 13.476 13.572 ( -0.692 -2.508 0.920) 2.759 13.824 ( 3.159 -12.604 -2.910) 13.316 14.208 ( -0.073 -4.946 4.230) 6.508 14.442 ( -1.383 -7.287 9.412) 11.983 14.502 ( -3.403 1.585 -2.654) 4.598 15.022 ( 0.098 -8.340 -3.605) 9.086 15.394 ( 5.464 -5.552 1.225) 7.885 15.766 ( -11.054 -4.293 5.717) 13.165 16.105 ( 0.475 2.425 -3.991) 4.694 16.198 ( 11.693 -6.783 -5.365) 14.544 16.589 ( -7.400 -6.492 6.872) 12.005 17.036 ( 3.543 -6.983 -4.514) 9.039 18.002 ( 0.624 3.684 7.399) 8.289 18.456 ( -6.145 4.063 -2.479) 7.773 18.686 ( 3.393 5.071 1.397) 6.259 19.186 ( 1.464 4.530 -8.219) 9.498 19.875 ( -0.575 0.892 9.609) 9.668 20.351 ( 0.224 -2.488 -5.284) 5.845 ======================= Grid point 154 (78/114) ======================= q-point: (-0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 1.886 5.010 8.654) 10.176 1.061 ( 0.186 1.260 3.829) 4.036 1.490 ( -0.814 4.468 11.094) 11.988 1.587 ( 1.835 -1.078 15.793) 15.935 1.776 ( -2.221 1.733 9.012) 9.442 2.049 ( -3.996 3.063 -3.970) 6.412 2.155 ( 5.330 -0.545 -4.142) 6.772 2.281 ( 2.604 -1.733 0.383) 3.151 2.336 ( 2.532 -4.076 -1.229) 4.953 2.416 ( -2.065 -0.912 2.832) 3.622 2.560 ( -2.975 -2.496 7.286) 8.256 2.808 ( -1.630 3.641 8.665) 9.539 2.919 ( -0.362 -0.230 -2.253) 2.294 3.034 ( 0.692 -0.269 -6.001) 6.047 3.042 ( 0.416 1.370 3.293) 3.590 3.467 ( 2.214 1.426 -7.678) 8.117 3.516 ( 0.152 3.336 -1.327) 3.593 3.740 ( -1.248 5.823 -7.844) 9.848 4.081 ( -0.613 2.021 21.936) 22.038 4.120 ( -0.436 9.296 19.597) 21.694 4.212 ( -0.972 -12.217 17.674) 21.507 4.672 ( -0.377 -1.469 0.973) 1.801 4.774 ( -0.127 -0.480 -2.649) 2.696 4.831 ( -0.165 1.163 4.351) 4.507 5.024 ( -0.486 -6.497 -3.815) 7.550 5.149 ( 0.776 2.503 -1.527) 3.033 5.470 ( 0.497 -3.631 -13.782) 14.261 5.592 ( 0.656 -11.832 -15.169) 19.249 5.811 ( -0.722 0.343 5.625) 5.681 6.138 ( -1.151 1.522 5.897) 6.198 6.152 ( 0.667 1.367 -0.915) 1.775 6.205 ( 0.044 -2.431 8.918) 9.244 6.335 ( -0.441 -0.492 1.340) 1.494 6.610 ( -0.095 -9.123 1.543) 9.253 6.716 ( -0.008 2.267 1.400) 2.664 6.849 ( 0.147 2.309 0.794) 2.447 7.070 ( 0.330 -1.700 -7.983) 8.168 7.379 ( 0.917 1.935 -6.245) 6.602 7.587 ( 0.002 4.109 -0.184) 4.114 7.783 ( 0.372 2.336 -8.049) 8.389 8.342 ( -1.234 2.597 11.210) 11.573 8.970 ( 0.218 0.548 -6.992) 7.017 12.152 ( 3.390 5.079 4.245) 7.437 12.347 ( 0.040 2.552 -0.393) 2.582 12.685 ( -4.545 -2.017 5.256) 7.235 12.829 ( 1.072 -0.841 -0.510) 1.454 12.975 ( 0.523 2.703 -2.198) 3.523 13.300 ( -1.839 -7.071 -6.987) 10.109 13.578 ( 1.135 -2.073 -0.198) 2.372 13.848 ( -1.012 -13.719 -4.324) 14.419 14.211 ( -0.004 -5.084 4.775) 6.975 14.429 ( 0.172 -8.381 8.920) 12.241 14.488 ( 1.966 1.421 -2.075) 3.193 14.999 ( -1.921 -5.738 -2.694) 6.624 15.528 ( 2.341 -10.911 -1.787) 11.302 15.566 ( -3.191 -0.088 2.834) 4.269 16.148 ( 2.093 1.229 -2.401) 3.414 16.354 ( -1.199 -4.922 -0.023) 5.066 16.498 ( 4.307 -8.599 4.055) 10.437 17.019 ( -4.929 -3.598 -4.060) 7.330 18.016 ( -0.184 1.439 9.456) 9.567 18.397 ( 0.617 1.951 -1.864) 2.768 18.724 ( 0.682 7.386 -1.371) 7.543 19.195 ( 0.062 4.443 -7.980) 9.134 19.869 ( -0.765 1.022 9.851) 9.933 20.350 ( 0.184 -2.571 -5.284) 5.879 ======================= Grid point 155 (79/114) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.264 3.140 1.426) 3.459 1.129 ( 2.611 3.693 1.441) 4.747 1.446 ( -2.188 3.251 8.017) 8.923 1.695 ( 3.256 4.241 12.340) 13.449 1.798 ( -5.302 7.835 7.521) 12.085 2.057 ( -0.841 -0.191 -5.197) 5.268 2.167 ( 1.832 -2.738 -5.736) 6.615 2.224 ( -1.194 -4.963 0.726) 5.156 2.322 ( -1.706 -4.224 1.995) 4.973 2.353 ( 2.448 -2.365 2.430) 4.182 2.503 ( -0.443 1.121 3.507) 3.709 2.816 ( 0.477 -1.635 -1.899) 2.551 2.875 ( 0.647 -3.379 1.122) 3.619 3.034 ( -0.071 -0.078 -0.915) 0.921 3.158 ( 0.696 6.160 5.063) 8.004 3.514 ( -0.394 0.592 -4.654) 4.708 3.542 ( -0.181 -0.066 -1.696) 1.707 3.801 ( 0.363 -2.796 3.376) 4.398 4.027 ( -1.052 1.849 -0.915) 2.316 4.120 ( -0.165 2.001 18.281) 18.391 4.405 ( -0.832 15.270 15.548) 21.809 4.612 ( 0.686 -5.304 0.005) 5.348 4.747 ( -0.121 -2.581 -3.669) 4.487 4.857 ( -0.503 1.688 3.479) 3.899 4.931 ( -0.474 -0.043 -1.281) 1.366 5.204 ( -0.190 2.529 -2.857) 3.820 5.327 ( 0.799 -12.142 -16.996) 20.902 5.377 ( 0.892 -6.029 -11.262) 12.805 5.825 ( -0.197 1.165 4.625) 4.774 6.091 ( -0.258 -5.073 5.117) 7.211 6.130 ( -0.116 -3.762 1.514) 4.057 6.209 ( 0.148 2.035 7.954) 8.211 6.319 ( -0.660 -1.057 2.973) 3.223 6.410 ( 0.312 -9.340 2.829) 9.764 6.763 ( 0.210 2.262 -2.438) 3.332 6.952 ( 0.111 6.750 -1.009) 6.826 7.018 ( 0.085 -2.922 -8.518) 9.005 7.414 ( -0.031 0.634 -7.701) 7.727 7.653 ( 0.051 1.966 0.321) 1.993 7.785 ( 0.233 -1.878 -3.585) 4.054 8.446 ( -0.465 7.732 11.350) 13.741 8.965 ( 0.204 -1.212 -4.034) 4.217 12.301 ( 2.317 1.973 1.842) 3.557 12.397 ( -0.015 1.991 -0.625) 2.087 12.601 ( -1.019 -0.100 5.718) 5.809 12.840 ( 0.345 0.893 0.073) 0.960 13.005 ( -1.325 1.114 -1.647) 2.390 13.101 ( -0.213 -8.596 -7.332) 11.300 13.558 ( 0.093 -2.173 0.674) 2.277 13.641 ( -0.564 -2.887 -1.542) 3.321 14.055 ( -0.067 -9.839 1.511) 9.954 14.267 ( 0.200 -9.377 2.370) 9.674 14.539 ( 2.012 0.028 -3.242) 3.816 14.816 ( -0.786 -7.281 -7.435) 10.436 15.427 ( -2.729 2.180 9.481) 10.104 15.618 ( 6.199 -2.622 -1.309) 6.857 16.044 ( -6.514 -3.533 6.431) 9.812 16.282 ( -0.499 2.467 1.991) 3.209 16.440 ( 6.058 -11.085 8.169) 15.043 16.793 ( -5.021 -6.397 -1.545) 8.277 18.066 ( -0.392 3.755 3.992) 5.495 18.445 ( 3.841 -2.205 -5.610) 7.147 18.893 ( -1.263 8.492 0.299) 8.591 19.249 ( -0.760 2.123 -3.971) 4.567 19.897 ( -0.108 2.059 3.954) 4.460 20.278 ( 0.343 -4.389 -5.710) 7.210 ======================= Grid point 156 (80/114) ======================= q-point: ( 0.25 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -5.772 1.122 3.528) 6.857 1.146 ( 1.184 0.744 1.751) 2.240 1.504 ( 5.579 6.898 6.034) 10.729 1.677 ( -6.990 11.482 12.191) 18.147 1.763 ( 2.720 3.065 7.693) 8.717 2.048 ( -0.002 -0.784 -3.887) 3.965 2.185 ( -0.070 -2.963 -2.091) 3.627 2.199 ( -0.585 -4.228 -3.640) 5.610 2.260 ( -2.928 -2.411 0.568) 3.835 2.416 ( 2.319 -4.732 3.039) 6.083 2.507 ( 0.227 0.614 4.353) 4.402 2.838 ( 1.654 -3.173 -3.569) 5.054 2.886 ( 0.268 -3.249 1.920) 3.784 3.037 ( 0.487 -0.082 -0.687) 0.846 3.144 ( -2.648 7.426 5.560) 9.647 3.490 ( -1.126 -0.312 -5.425) 5.549 3.541 ( 0.338 0.839 -1.210) 1.511 3.826 ( 1.378 -2.709 3.094) 4.337 4.001 ( -1.156 1.546 2.155) 2.893 4.137 ( 0.052 2.442 15.306) 15.500 4.402 ( -0.751 15.293 15.573) 21.839 4.635 ( 1.418 -6.198 0.432) 6.373 4.733 ( -0.886 -2.093 -4.150) 4.731 4.851 ( -0.308 2.279 3.734) 4.386 4.925 ( 0.096 -0.556 -1.552) 1.651 5.199 ( 0.082 2.790 -2.692) 3.878 5.325 ( 0.447 -11.057 -14.950) 18.600 5.389 ( 1.165 -6.987 -12.763) 14.597 5.829 ( 0.147 1.078 4.705) 4.829 6.092 ( -0.131 -5.154 5.220) 7.337 6.129 ( -0.054 -3.635 1.204) 3.830 6.211 ( -0.628 1.996 7.788) 8.064 6.311 ( -0.339 -2.087 2.865) 3.561 6.414 ( -0.184 -8.452 2.738) 8.886 6.767 ( 0.317 2.313 -2.342) 3.307 6.942 ( -0.729 6.077 -1.449) 6.289 7.021 ( 0.857 -2.240 -7.924) 8.279 7.406 ( 0.066 0.953 -7.385) 7.447 7.654 ( 0.028 1.912 0.241) 1.927 7.784 ( 0.048 -1.972 -3.685) 4.180 8.450 ( -0.195 7.607 11.360) 13.673 8.966 ( 0.238 -1.242 -4.064) 4.257 12.304 ( -2.234 1.465 1.952) 3.309 12.394 ( 0.026 2.123 -0.281) 2.142 12.639 ( 3.879 -1.055 3.714) 5.473 12.822 ( -2.075 2.296 1.703) 3.532 12.991 ( 0.270 0.816 -1.947) 2.128 13.109 ( 1.595 -8.315 -8.078) 11.702 13.548 ( -0.998 -2.000 0.616) 2.319 13.635 ( 0.066 -2.892 -0.681) 2.972 14.053 ( -0.229 -9.831 1.469) 9.943 14.277 ( 0.467 -9.521 2.580) 9.875 14.558 ( -0.164 -0.332 -4.442) 4.457 14.805 ( 0.481 -7.537 -7.709) 10.792 15.378 ( -2.686 3.359 11.283) 12.075 15.723 ( 2.722 -8.184 -2.067) 8.869 15.970 ( -0.297 -0.632 5.177) 5.224 16.244 ( -3.067 4.998 3.443) 6.799 16.501 ( -1.509 -11.556 8.576) 14.470 16.767 ( 3.482 -6.703 -1.964) 7.804 18.066 ( 0.066 3.742 3.315) 5.000 18.504 ( 1.637 -4.306 -7.424) 8.738 18.850 ( -2.356 10.245 2.759) 10.868 19.245 ( 0.685 2.348 -4.137) 4.806 19.900 ( -0.022 1.939 3.866) 4.325 20.280 ( 0.376 -4.340 -5.729) 7.197 ======================= Grid point 157 (81/114) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -1.926 4.297 4.607) 6.588 1.161 ( -0.360 2.511 1.359) 2.878 1.575 ( 0.266 1.896 6.582) 6.854 1.595 ( -2.056 10.672 14.744) 18.317 1.816 ( 2.139 3.173 6.159) 7.251 2.062 ( 2.192 -1.167 -2.872) 3.796 2.164 ( -1.904 -0.423 -1.917) 2.735 2.199 ( 0.718 -4.424 -1.339) 4.678 2.235 ( 0.462 -0.533 -3.244) 3.320 2.424 ( -1.567 -4.533 0.981) 4.895 2.520 ( 0.563 -0.685 5.658) 5.727 2.851 ( -0.080 -4.380 -5.795) 7.265 2.885 ( -0.846 -2.712 4.031) 4.932 3.053 ( 0.692 0.305 1.007) 1.260 3.093 ( -1.751 7.055 3.914) 8.256 3.481 ( 0.857 0.814 -6.597) 6.702 3.547 ( 0.180 0.889 0.259) 0.943 3.837 ( -0.560 -2.779 1.440) 3.180 3.999 ( 0.671 0.461 4.870) 4.937 4.141 ( -1.054 2.940 14.383) 14.718 4.403 ( -0.578 15.415 15.607) 21.944 4.643 ( -1.059 -5.451 0.508) 5.576 4.725 ( 0.918 -2.753 -4.628) 5.462 4.853 ( 0.103 1.538 3.984) 4.271 4.931 ( 0.583 -0.391 -1.436) 1.599 5.203 ( 0.394 3.122 -2.368) 3.938 5.322 ( 0.632 -11.592 -14.759) 18.778 5.391 ( 0.261 -6.247 -13.324) 14.718 5.834 ( -0.217 1.063 4.825) 4.945 6.094 ( -0.157 -5.455 4.937) 7.358 6.130 ( -0.009 -3.660 1.523) 3.964 6.202 ( -0.896 2.112 7.743) 8.075 6.314 ( 0.373 -2.085 2.361) 3.172 6.409 ( -0.543 -8.785 2.736) 9.217 6.768 ( 0.020 2.346 -2.566) 3.477 6.934 ( 0.069 5.222 -1.270) 5.375 7.029 ( 0.579 -1.460 -7.705) 7.863 7.407 ( 0.697 1.107 -7.171) 7.289 7.654 ( -0.080 2.079 0.333) 2.107 7.782 ( 0.091 -1.918 -3.698) 4.167 8.453 ( -0.539 7.339 10.995) 13.230 8.966 ( 0.161 -1.255 -4.043) 4.237 12.258 ( -2.045 3.907 3.312) 5.516 12.394 ( -0.046 1.664 -0.411) 1.715 12.690 ( -0.270 -2.301 2.933) 3.738 12.799 ( 0.357 1.882 1.422) 2.386 13.006 ( 1.227 1.289 -2.041) 2.708 13.131 ( 0.945 -9.058 -8.190) 12.248 13.535 ( -0.167 -1.643 0.835) 1.851 13.642 ( 0.650 -3.567 -0.849) 3.724 14.051 ( -0.096 -9.990 1.788) 10.149 14.283 ( -0.217 -8.672 1.779) 8.855 14.528 ( -1.935 0.812 -2.994) 3.656 14.819 ( 1.447 -8.939 -8.188) 12.208 15.368 ( 0.901 2.264 9.325) 9.638 15.680 ( -5.716 -4.491 4.155) 8.373 16.047 ( 6.044 -3.959 1.201) 7.325 16.222 ( 1.432 5.521 1.211) 5.831 16.424 ( -6.389 -9.276 8.682) 14.221 16.858 ( 4.225 -9.190 -0.876) 10.152 18.072 ( 0.084 3.629 3.415) 4.983 18.468 ( -3.795 -2.634 -7.050) 8.428 18.848 ( 1.663 9.291 3.269) 9.989 19.260 ( 1.053 2.175 -4.601) 5.197 19.901 ( -0.235 1.920 3.758) 4.227 20.280 ( 0.178 -4.329 -5.808) 7.246 ======================= Grid point 158 (82/114) ======================= q-point: (-0.25 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 4.928 6.707 3.003) 8.848 1.138 ( -1.618 4.729 1.631) 5.257 1.530 ( -5.202 -0.078 7.419) 9.061 1.621 ( 2.902 5.543 14.674) 15.953 1.843 ( -0.232 4.227 6.028) 7.366 2.092 ( -1.190 -1.301 -4.604) 4.931 2.135 ( 1.322 0.866 -4.186) 4.475 2.220 ( 1.243 -4.919 1.488) 5.288 2.271 ( 3.228 -1.495 -1.056) 3.711 2.380 ( -2.525 -2.931 0.500) 3.901 2.521 ( -1.152 -0.579 4.811) 4.981 2.829 ( -1.425 -1.975 -2.992) 3.858 2.870 ( -0.463 -3.306 2.088) 3.938 3.042 ( -0.787 0.663 0.736) 1.265 3.119 ( 2.565 5.094 3.345) 6.612 3.504 ( 1.732 1.396 -6.580) 6.946 3.546 ( -0.269 0.359 0.671) 0.807 3.814 ( -1.620 -3.084 1.880) 3.959 4.024 ( 1.137 0.641 2.463) 2.788 4.125 ( -1.725 2.745 16.419) 16.736 4.405 ( -0.651 15.400 15.590) 21.923 4.616 ( -1.124 -4.703 -0.111) 4.836 4.743 ( 0.872 -3.114 -4.022) 5.160 4.859 ( 0.031 0.977 3.828) 3.950 4.937 ( 0.041 0.091 -1.175) 1.180 5.207 ( 0.187 2.846 -2.555) 3.829 5.324 ( 0.972 -12.653 -16.451) 20.777 5.380 ( -0.081 -5.294 -12.179) 13.280 5.829 ( -0.586 1.151 4.737) 4.909 6.093 ( -0.360 -5.406 4.795) 7.235 6.131 ( -0.096 -3.786 1.856) 4.218 6.198 ( -0.039 2.133 7.878) 8.161 6.323 ( 0.144 -0.719 2.516) 2.621 6.404 ( -0.089 -9.958 2.846) 10.358 6.764 ( -0.095 2.296 -2.656) 3.512 6.942 ( 0.769 5.544 -1.064) 5.697 7.027 ( -0.071 -1.790 -8.078) 8.274 7.415 ( 0.611 0.784 -7.486) 7.552 7.652 ( -0.059 2.131 0.410) 2.171 7.782 ( 0.284 -1.815 -3.588) 4.031 8.449 ( -0.818 7.459 10.976) 13.296 8.965 ( 0.126 -1.225 -4.012) 4.197 12.254 ( 1.478 4.317 3.350) 5.660 12.394 ( 0.151 1.733 -0.609) 1.843 12.648 ( -3.475 -1.061 4.917) 6.114 12.821 ( 1.334 0.299 -0.377) 1.418 13.021 ( 0.165 1.301 -1.858) 2.274 13.122 ( -0.930 -9.229 -7.376) 11.851 13.545 ( 0.941 -1.797 0.760) 2.166 13.649 ( 0.060 -3.660 -1.644) 4.012 14.053 ( 0.094 -9.994 1.825) 10.160 14.271 ( -0.819 -8.393 1.523) 8.569 14.511 ( 0.648 1.081 -1.806) 2.202 14.831 ( 0.271 -8.793 -7.950) 11.857 15.419 ( 2.988 0.028 6.145) 6.833 15.583 ( -3.487 0.843 5.065) 6.207 16.124 ( 0.186 -4.089 2.315) 4.702 16.284 ( 1.314 0.491 1.388) 1.973 16.331 ( 0.473 -7.774 8.315) 11.393 16.878 ( -2.351 -8.831 -0.642) 9.161 18.072 ( -0.427 3.673 4.080) 5.506 18.412 ( -0.511 -0.995 -5.402) 5.516 18.887 ( 1.604 8.007 1.024) 8.230 19.266 ( -0.204 1.951 -4.472) 4.883 19.898 ( -0.331 2.040 3.845) 4.365 20.278 ( 0.143 -4.378 -5.789) 7.260 ======================= Grid point 159 (83/114) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.653 1.098 0.033) 1.985 1.185 ( -0.358 1.977 -0.912) 2.207 1.579 ( 2.552 8.702 -0.897) 9.112 1.794 ( 1.139 5.244 6.872) 8.719 1.930 ( 0.437 -0.326 0.770) 0.944 2.009 ( -2.416 0.487 0.047) 2.465 2.089 ( -0.450 -5.850 3.273) 6.718 2.153 ( -0.895 -0.692 -3.066) 3.268 2.246 ( -0.775 -2.766 0.431) 2.905 2.301 ( 0.727 -3.269 3.988) 5.207 2.554 ( 0.382 3.831 2.066) 4.369 2.750 ( 0.183 -4.616 -2.352) 5.184 2.834 ( 0.100 0.829 2.330) 2.475 3.006 ( -0.790 -3.170 0.394) 3.291 3.277 ( 2.268 5.214 1.345) 5.843 3.478 ( -0.305 -3.803 -4.147) 5.635 3.555 ( -1.402 1.630 2.988) 3.681 3.688 ( 0.834 -4.925 6.657) 8.323 4.174 ( -2.825 6.894 -1.131) 7.536 4.203 ( 2.596 8.186 0.724) 8.619 4.465 ( -0.580 -7.866 1.999) 8.136 4.627 ( 0.705 -6.951 -5.865) 9.122 4.729 ( -0.451 12.140 6.994) 14.018 4.905 ( 0.269 2.845 4.680) 5.484 4.994 ( -0.782 4.962 -1.693) 5.301 5.123 ( 0.823 -5.544 -12.212) 13.437 5.236 ( 0.055 -2.226 -2.243) 3.160 5.256 ( -0.163 -4.345 -4.723) 6.420 5.828 ( -0.073 -1.042 -0.191) 1.062 6.010 ( 0.024 -7.766 -0.227) 7.769 6.020 ( -0.391 0.271 8.892) 8.904 6.219 ( -0.801 -7.097 5.193) 8.830 6.249 ( 0.290 1.767 6.800) 7.032 6.312 ( 0.354 -1.356 3.605) 3.867 6.813 ( 0.320 2.709 -6.181) 6.757 6.949 ( 0.366 -3.541 -8.956) 9.637 7.110 ( 0.053 8.102 -3.557) 8.849 7.387 ( 0.278 -3.546 -8.090) 8.837 7.678 ( -0.165 0.850 0.657) 1.087 7.737 ( -0.006 -2.242 -0.276) 2.259 8.625 ( -0.335 9.008 8.472) 12.371 8.912 ( -0.012 -4.046 0.011) 4.046 12.338 ( 0.433 1.719 1.786) 2.516 12.410 ( 0.159 -0.841 0.258) 0.894 12.634 ( -0.594 3.624 3.270) 4.917 12.848 ( 1.713 -2.236 -0.045) 2.817 12.950 ( -1.437 -3.062 -3.331) 4.747 13.010 ( -0.226 -1.325 -1.445) 1.974 13.534 ( -0.082 1.355 2.347) 2.711 13.678 ( -0.017 4.756 -5.464) 7.244 13.836 ( 0.140 -10.347 -0.561) 10.363 14.051 ( -0.019 -11.056 -3.464) 11.586 14.555 ( 0.847 1.604 -2.513) 3.099 14.690 ( 0.202 -4.985 -5.877) 7.709 15.482 ( -0.857 3.246 9.368) 9.952 15.600 ( 0.979 -0.738 4.813) 4.967 15.995 ( -3.436 -0.055 10.188) 10.752 16.225 ( 2.999 -9.257 10.045) 13.985 16.370 ( 0.171 5.462 1.539) 5.677 16.648 ( -2.414 -7.317 -0.000) 7.705 18.158 ( -0.057 5.025 -1.047) 5.133 18.375 ( 1.945 -4.476 -6.889) 8.443 19.049 ( -0.472 6.793 2.078) 7.120 19.252 ( -0.595 -1.981 0.398) 2.106 19.960 ( 0.105 4.098 -2.067) 4.591 20.175 ( 0.335 -5.426 -5.981) 8.083 ======================= Grid point 160 (84/114) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -1.777 3.324 0.292) 3.780 1.181 ( 0.198 2.018 -0.228) 2.041 1.622 ( 0.993 5.157 -1.217) 5.391 1.823 ( 0.881 2.614 2.569) 3.770 1.911 ( -2.195 6.123 6.199) 8.985 1.981 ( 0.008 -1.661 0.637) 1.779 2.099 ( 0.980 -5.345 1.886) 5.752 2.130 ( -0.784 -1.550 -1.221) 2.123 2.232 ( -0.357 -0.759 -0.636) 1.052 2.322 ( 0.712 -4.298 2.805) 5.181 2.557 ( -0.398 3.862 2.493) 4.614 2.749 ( -0.061 -4.812 -2.584) 5.462 2.839 ( 0.100 -0.303 2.253) 2.276 3.001 ( 0.306 -3.763 -0.179) 3.780 3.298 ( -0.771 6.918 1.556) 7.132 3.465 ( -0.390 -1.924 -3.452) 3.971 3.546 ( 0.390 0.455 1.960) 2.050 3.707 ( 0.177 -5.921 6.805) 9.021 4.128 ( -1.646 7.251 -0.809) 7.479 4.243 ( 1.407 7.936 0.354) 8.068 4.466 ( 0.429 -8.836 2.199) 9.116 4.626 ( -0.215 -6.650 -6.515) 9.312 4.729 ( -0.197 12.658 7.647) 14.790 4.910 ( -0.336 3.062 5.035) 5.902 4.980 ( -0.158 4.912 -2.039) 5.321 5.127 ( 0.617 -5.766 -11.821) 13.166 5.242 ( 0.485 -0.466 -0.096) 0.679 5.255 ( 0.689 -5.979 -6.984) 9.220 5.831 ( 0.285 -1.189 -0.122) 1.229 6.009 ( -0.119 -7.586 1.214) 7.684 6.019 ( -0.397 -0.045 7.266) 7.277 6.203 ( -1.018 -5.712 5.434) 7.950 6.256 ( -0.343 0.994 6.378) 6.464 6.319 ( -0.090 -1.894 3.495) 3.976 6.816 ( 0.440 2.565 -6.109) 6.640 6.944 ( 0.025 -3.303 -8.709) 9.314 7.110 ( 0.283 8.006 -3.760) 8.850 7.386 ( 0.348 -3.342 -8.014) 8.690 7.678 ( 0.088 0.804 0.641) 1.032 7.736 ( -0.046 -2.187 -0.204) 2.197 8.626 ( -0.282 8.901 8.438) 12.268 8.912 ( 0.036 -4.067 0.017) 4.067 12.334 ( -0.874 1.589 2.239) 2.882 12.407 ( -0.416 -0.921 0.514) 1.134 12.655 ( 2.153 3.007 1.594) 4.027 12.883 ( 0.373 2.392 1.366) 2.779 12.911 ( -0.600 -6.662 -3.506) 7.552 13.012 ( 0.335 -1.966 -1.916) 2.766 13.528 ( -0.617 1.571 2.194) 2.768 13.673 ( 0.030 4.913 -5.172) 7.133 13.835 ( -0.221 -10.251 -0.609) 10.271 14.057 ( 0.829 -11.274 -3.212) 11.752 14.564 ( 0.146 1.249 -3.044) 3.293 14.688 ( 0.203 -4.375 -5.702) 7.190 15.462 ( -1.696 4.437 9.769) 10.863 15.614 ( -0.199 -3.123 4.450) 5.441 15.967 ( -0.169 1.347 9.561) 9.657 16.259 ( -0.806 -11.233 11.446) 16.057 16.367 ( -0.582 6.473 1.462) 6.662 16.634 ( 1.345 -6.362 -0.526) 6.524 18.158 ( 0.145 5.130 -1.354) 5.308 18.398 ( 0.670 -5.741 -7.410) 9.398 19.033 ( -1.091 7.638 2.835) 8.220 19.249 ( 0.328 -1.990 0.374) 2.051 19.961 ( 0.179 4.072 -2.085) 4.578 20.177 ( 0.408 -5.469 -5.994) 8.124 ======================= Grid point 161 (85/114) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.017 6.390 0.109) 6.472 1.194 ( 0.949 1.123 -0.472) 1.544 1.602 ( -2.467 2.104 -0.398) 3.266 1.809 ( -2.209 6.697 6.811) 9.804 1.895 ( 0.159 2.275 2.704) 3.537 2.014 ( 2.659 -0.241 1.423) 3.025 2.093 ( -0.772 -4.869 4.124) 6.427 2.152 ( 1.855 -0.392 -3.188) 3.709 2.227 ( -0.059 -0.976 -1.411) 1.717 2.326 ( -0.496 -4.732 2.060) 5.184 2.549 ( -0.474 3.208 2.448) 4.064 2.743 ( -0.135 -5.467 -2.657) 6.080 2.840 ( -0.196 -0.263 1.776) 1.806 3.017 ( 1.111 -4.132 0.001) 4.278 3.256 ( -2.793 8.264 1.712) 8.890 3.470 ( 0.924 -1.525 -2.696) 3.233 3.563 ( 0.966 0.580 0.415) 1.201 3.700 ( -1.418 -7.072 7.006) 10.056 4.119 ( 0.756 7.714 0.768) 7.789 4.252 ( -0.483 7.593 -0.826) 7.653 4.479 ( 0.436 -8.950 3.591) 9.654 4.613 ( -0.205 -6.350 -7.619) 9.921 4.732 ( -0.205 12.586 7.451) 14.628 4.902 ( -0.647 3.204 3.945) 5.123 4.987 ( 0.827 4.640 -0.816) 4.783 5.126 ( 0.284 -5.860 -10.891) 12.370 5.248 ( 0.038 0.009 1.035) 1.036 5.264 ( 0.749 -6.015 -9.086) 10.922 5.835 ( 0.076 -1.246 0.052) 1.249 6.009 ( -0.012 -7.807 0.564) 7.828 6.018 ( -0.384 0.029 7.973) 7.982 6.199 ( 0.143 -5.597 5.548) 7.882 6.249 ( -0.803 0.804 5.807) 5.917 6.315 ( -0.581 -1.841 3.618) 4.101 6.817 ( 0.238 2.532 -6.182) 6.685 6.940 ( 0.425 -2.946 -8.269) 8.788 7.113 ( 0.279 7.658 -3.974) 8.632 7.387 ( 0.450 -3.455 -8.057) 8.778 7.681 ( 0.107 0.896 0.685) 1.133 7.735 ( 0.021 -2.069 -0.172) 2.076 8.627 ( -0.426 8.878 8.392) 12.224 8.913 ( 0.009 -4.047 0.050) 4.048 12.320 ( -0.561 2.396 2.774) 3.708 12.401 ( -0.198 -1.024 0.619) 1.212 12.687 ( 0.355 2.184 0.230) 2.224 12.848 ( -1.878 1.715 1.067) 2.757 12.944 ( 2.081 -5.914 -4.087) 7.484 13.015 ( 0.108 -2.398 -0.272) 2.416 13.522 ( -0.113 1.806 2.072) 2.751 13.674 ( 0.482 4.794 -4.984) 6.932 13.830 ( -0.109 -10.195 -0.231) 10.198 14.068 ( 0.402 -11.491 -3.785) 12.105 14.554 ( -0.658 2.044 -2.695) 3.446 14.688 ( 0.303 -4.383 -5.771) 7.253 15.453 ( 0.034 5.097 9.573) 10.845 15.600 ( -1.423 -2.960 5.358) 6.284 16.001 ( 2.572 -0.300 8.021) 8.428 16.221 ( -3.813 -9.579 11.919) 15.759 16.358 ( -0.199 7.062 0.737) 7.103 16.676 ( 2.172 -8.360 0.331) 8.644 18.160 ( 0.197 4.896 -1.615) 5.159 18.382 ( -1.375 -5.157 -7.218) 8.977 19.027 ( 0.316 7.893 3.357) 8.583 19.260 ( 0.525 -2.340 0.121) 2.401 19.962 ( 0.087 4.076 -2.168) 4.617 20.178 ( 0.210 -5.445 -6.077) 8.162 ======================= Grid point 162 (86/114) ======================= q-point: (-0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 2.194 4.516 -0.446) 5.041 1.200 ( -0.455 1.238 -0.956) 1.629 1.562 ( -0.955 4.786 -0.161) 4.883 1.783 ( -0.947 8.661 10.021) 13.279 1.910 ( 1.203 -1.505 -1.026) 2.183 2.042 ( -0.439 0.076 0.738) 0.863 2.091 ( -0.005 -5.488 4.581) 7.148 2.166 ( -0.016 0.816 -4.133) 4.213 2.236 ( 1.155 -2.555 -0.323) 2.822 2.309 ( -1.348 -4.153 2.841) 5.209 2.547 ( 0.078 3.098 2.117) 3.753 2.745 ( 0.459 -5.352 -2.285) 5.838 2.836 ( -0.364 0.973 1.635) 1.937 3.023 ( -0.678 -3.338 0.749) 3.488 3.237 ( 1.041 6.454 1.333) 6.672 3.482 ( 0.365 -3.056 -3.063) 4.342 3.572 ( -0.232 1.417 0.946) 1.720 3.680 ( -0.841 -6.150 7.101) 9.431 4.153 ( 2.422 7.956 1.896) 8.530 4.224 ( -2.183 7.225 -1.939) 7.793 4.478 ( -0.786 -7.837 3.301) 8.540 4.614 ( 0.929 -6.810 -6.904) 9.741 4.732 ( -0.453 12.076 6.837) 13.884 4.898 ( -0.079 2.945 3.911) 4.896 5.000 ( 0.355 4.721 -0.810) 4.803 5.121 ( 0.358 -5.614 -11.212) 12.544 5.243 ( -0.474 -1.392 -0.978) 1.766 5.263 ( -0.020 -4.752 -7.017) 8.475 5.833 ( -0.274 -1.104 -0.032) 1.138 6.009 ( 0.075 -7.847 -0.813) 7.890 6.019 ( -0.348 0.226 9.542) 9.551 6.214 ( 0.655 -6.127 5.713) 8.403 6.244 ( -0.226 0.620 5.796) 5.834 6.308 ( -0.340 -1.210 3.767) 3.971 6.815 ( 0.118 2.678 -6.252) 6.803 6.945 ( 0.738 -3.170 -8.504) 9.106 7.112 ( 0.065 7.738 -3.787) 8.615 7.388 ( 0.382 -3.655 -8.130) 8.922 7.681 ( -0.151 0.939 0.695) 1.178 7.736 ( 0.072 -2.122 -0.239) 2.136 8.625 ( -0.480 8.985 8.426) 12.327 8.913 ( -0.039 -4.027 0.044) 4.027 12.323 ( 0.587 2.553 2.413) 3.562 12.403 ( 0.376 -0.913 0.402) 1.066 12.665 ( -2.239 2.861 2.125) 4.209 12.831 ( 0.010 -0.630 0.102) 0.638 12.962 ( 0.328 -4.620 -4.599) 6.527 13.017 ( -0.060 -1.846 0.075) 1.848 13.528 ( 0.413 1.578 2.236) 2.768 13.679 ( 0.449 4.634 -5.273) 7.034 13.832 ( 0.262 -10.302 -0.170) 10.306 14.061 ( -0.556 -11.218 -4.055) 11.942 14.546 ( 0.134 2.351 -2.170) 3.202 14.689 ( 0.344 -5.002 -5.946) 7.778 15.473 ( 0.811 3.993 9.143) 10.010 15.586 ( -0.274 -0.707 5.696) 5.746 16.042 ( -0.612 -2.244 8.530) 8.841 16.175 ( -0.374 -7.117 10.863) 12.992 16.362 ( 0.402 5.979 0.788) 6.044 16.689 ( -1.122 -9.135 0.725) 9.233 18.160 ( -0.043 4.786 -1.330) 4.968 18.359 ( 0.033 -3.900 -6.684) 7.739 19.043 ( 0.755 7.093 2.635) 7.604 19.263 ( -0.304 -2.346 0.117) 2.369 19.961 ( 0.011 4.101 -2.151) 4.631 20.175 ( 0.136 -5.403 -6.065) 8.123 ======================= Grid point 163 (87/114) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.586 -1.064 -1.571) 1.986 1.190 ( -0.586 1.064 -1.571) 1.986 1.771 ( 0.791 -9.052 -6.173) 10.984 1.771 ( 0.791 9.052 -6.173) 10.984 1.931 ( 0.444 -6.181 5.193) 8.086 1.931 ( 0.444 6.181 5.193) 8.086 2.125 ( -2.606 -3.420 2.079) 4.776 2.125 ( -2.606 3.420 2.079) 4.776 2.229 ( 1.217 -1.953 2.611) 3.481 2.229 ( 1.217 1.953 2.611) 3.481 2.648 ( 0.502 -4.936 1.631) 5.223 2.648 ( 0.502 4.936 1.631) 5.223 2.909 ( -0.782 -5.392 -0.207) 5.452 2.909 ( -0.782 5.392 -0.207) 5.452 3.381 ( 1.272 -5.065 -1.089) 5.335 3.381 ( 1.272 5.065 -1.089) 5.335 3.608 ( -0.291 -3.265 3.708) 4.949 3.608 ( -0.291 3.265 3.708) 4.949 4.304 ( -1.487 -6.906 6.458) 9.571 4.304 ( -1.487 6.906 6.458) 9.571 4.424 ( 1.491 -10.925 -13.036) 17.074 4.424 ( 1.491 10.925 -13.036) 17.074 4.902 ( 0.075 -4.123 3.119) 5.170 4.902 ( 0.075 4.123 3.119) 5.170 5.113 ( -0.205 -6.357 -4.802) 7.969 5.113 ( -0.205 6.357 -4.802) 7.969 5.163 ( -0.190 -6.953 1.659) 7.151 5.163 ( -0.190 6.953 1.659) 7.151 5.858 ( 0.051 -5.242 -2.053) 5.630 5.858 ( 0.051 5.242 -2.053) 5.630 6.090 ( -0.437 -5.364 8.067) 9.697 6.090 ( -0.437 5.364 8.067) 9.697 6.284 ( 0.127 -1.521 5.036) 5.262 6.284 ( 0.127 1.521 5.036) 5.262 6.876 ( 0.331 -3.388 -8.439) 9.100 6.876 ( 0.331 3.388 -8.439) 9.100 7.272 ( 0.304 -7.194 -6.233) 9.524 7.272 ( 0.304 7.194 -6.233) 9.524 7.700 ( -0.133 -1.374 0.596) 1.504 7.700 ( -0.133 1.374 0.596) 1.504 8.796 ( -0.218 -7.188 4.450) 8.457 8.796 ( -0.218 7.188 4.450) 8.457 12.377 ( 0.065 -1.990 1.515) 2.502 12.377 ( 0.065 1.990 1.515) 2.502 12.739 ( 0.093 -6.050 0.044) 6.051 12.739 ( 0.093 6.050 0.044) 6.051 12.968 ( -0.162 -2.405 -0.662) 2.500 12.968 ( -0.162 2.405 -0.662) 2.500 13.628 ( 0.055 -7.368 0.455) 7.382 13.628 ( 0.055 7.368 0.455) 7.382 13.840 ( 0.112 -8.814 -5.904) 10.609 13.840 ( 0.112 8.814 -5.904) 10.609 14.605 ( 0.367 -3.264 -3.726) 4.967 14.605 ( 0.367 3.264 -3.726) 4.967 15.555 ( -0.371 -3.382 8.227) 8.902 15.555 ( -0.371 3.382 8.227) 8.902 16.062 ( -0.434 -6.139 11.377) 12.935 16.062 ( -0.434 6.139 11.377) 12.935 16.500 ( -0.365 -6.906 0.475) 6.932 16.500 ( -0.365 6.906 0.475) 6.932 18.269 ( 0.703 -5.534 -5.246) 7.658 18.269 ( 0.703 5.534 -5.246) 7.658 19.174 ( -0.423 -5.207 2.555) 5.815 19.174 ( -0.423 5.207 2.555) 5.815 20.061 ( 0.250 -5.419 -5.257) 7.554 20.061 ( 0.250 5.419 -5.257) 7.554 ======================= Grid point 165 (88/114) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.430 -1.832 -1.355) 2.319 1.187 ( 0.430 1.832 -1.355) 2.319 1.746 ( -1.990 -7.107 -5.618) 9.275 1.746 ( -1.990 7.107 -5.618) 9.275 1.972 ( 2.027 -4.998 4.309) 6.903 1.972 ( 2.027 4.998 4.309) 6.903 2.096 ( -0.213 -3.392 3.513) 4.888 2.096 ( -0.213 3.392 3.513) 4.888 2.240 ( -0.146 -2.602 1.664) 3.092 2.240 ( -0.146 2.602 1.664) 3.092 2.649 ( -0.614 -4.753 1.606) 5.055 2.649 ( -0.614 4.753 1.606) 5.055 2.897 ( -0.181 -5.206 -0.430) 5.227 2.897 ( -0.181 5.206 -0.430) 5.227 3.408 ( 1.223 -3.800 -2.180) 4.548 3.408 ( 1.223 3.800 -2.180) 4.548 3.597 ( -1.065 -4.489 4.680) 6.572 3.597 ( -1.065 4.489 4.680) 6.572 4.285 ( -0.689 -8.246 4.028) 9.203 4.285 ( -0.689 8.246 4.028) 9.203 4.439 ( 0.891 -10.145 -10.627) 14.719 4.439 ( 0.891 10.145 -10.627) 14.719 4.909 ( 0.242 -4.253 3.544) 5.541 4.909 ( 0.242 4.253 3.544) 5.541 5.095 ( -0.780 -4.484 -3.724) 5.880 5.095 ( -0.780 4.484 -3.724) 5.880 5.176 ( 1.022 -4.412 0.313) 4.540 5.176 ( 1.022 4.412 0.313) 4.540 5.858 ( 0.110 -5.170 -2.029) 5.555 5.858 ( 0.110 5.170 -2.029) 5.555 6.086 ( -0.625 -5.101 7.996) 9.505 6.086 ( -0.625 5.101 7.996) 9.505 6.286 ( -0.386 -1.507 4.940) 5.179 6.286 ( -0.386 1.507 4.940) 5.179 6.875 ( 0.333 -3.209 -8.339) 8.942 6.875 ( 0.333 3.209 -8.339) 8.942 7.272 ( 0.276 -7.214 -6.335) 9.605 7.272 ( 0.276 7.214 -6.335) 9.605 7.699 ( 0.061 -1.388 0.667) 1.542 7.699 ( 0.061 1.388 0.667) 1.542 8.796 ( -0.156 -7.158 4.460) 8.435 8.796 ( -0.156 7.158 4.460) 8.435 12.372 ( -0.566 -2.018 1.892) 2.823 12.372 ( -0.566 2.018 1.892) 2.823 12.756 ( 1.488 -6.432 -1.503) 6.771 12.756 ( 1.488 6.432 -1.503) 6.771 12.958 ( -0.749 -3.209 0.504) 3.334 12.958 ( -0.749 3.209 0.504) 3.334 13.625 ( -0.331 -7.377 0.304) 7.390 13.625 ( -0.331 7.377 0.304) 7.390 13.841 ( 0.511 -9.023 -5.665) 10.667 13.841 ( 0.511 9.023 -5.665) 10.667 14.611 ( 0.425 -3.148 -3.868) 5.006 14.611 ( 0.425 3.148 -3.868) 5.006 15.549 ( -0.844 -3.761 8.189) 9.051 15.549 ( -0.844 3.761 8.189) 9.051 16.059 ( -0.858 -7.594 11.323) 13.661 16.059 ( -0.858 7.594 11.323) 13.661 16.502 ( 0.467 -6.493 0.657) 6.543 16.502 ( 0.467 6.493 0.657) 6.543 18.274 ( 0.273 -6.043 -5.498) 8.175 18.274 ( 0.273 6.043 -5.498) 8.175 19.169 ( -0.266 -5.491 2.752) 6.148 19.169 ( -0.266 5.491 2.752) 6.148 20.062 ( 0.339 -5.460 -5.261) 7.590 20.062 ( 0.339 5.460 -5.261) 7.590 ======================= Grid point 167 (89/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.718 -1.291 -0.923) 1.742 1.199 ( 0.718 1.291 -0.923) 1.742 1.716 ( -0.197 -8.756 -6.043) 10.641 1.716 ( -0.197 8.756 -6.043) 10.641 1.982 ( -1.176 -5.663 5.539) 8.009 1.982 ( -1.176 5.663 5.539) 8.009 2.127 ( 2.490 -4.500 4.222) 6.654 2.127 ( 2.490 4.500 4.222) 6.654 2.228 ( -1.294 -3.004 0.341) 3.288 2.228 ( -1.294 3.004 0.341) 3.288 2.635 ( -0.683 -4.867 1.245) 5.070 2.635 ( -0.683 4.867 1.245) 5.070 2.904 ( 0.810 -5.647 -0.769) 5.757 2.904 ( 0.810 5.647 -0.769) 5.757 3.407 ( -1.246 -5.415 -1.735) 5.821 3.407 ( -1.246 5.415 -1.735) 5.821 3.590 ( 0.060 -2.996 4.218) 5.174 3.590 ( 0.060 2.996 4.218) 5.174 4.291 ( 0.795 -8.840 5.407) 10.393 4.291 ( 0.795 8.840 5.407) 10.393 4.435 ( -0.215 -9.450 -11.797) 15.117 4.435 ( -0.215 9.450 -11.797) 15.117 4.911 ( -0.383 -3.983 3.183) 5.113 4.911 ( -0.383 3.983 3.183) 5.113 5.089 ( 0.463 -3.082 -2.101) 3.759 5.089 ( 0.463 3.082 -2.101) 3.759 5.190 ( 0.240 -3.323 -0.934) 3.460 5.190 ( 0.240 3.323 -0.934) 3.460 5.859 ( 0.131 -4.963 -1.982) 5.346 5.859 ( 0.131 4.963 -1.982) 5.346 6.083 ( -0.292 -5.006 7.936) 9.388 6.083 ( -0.292 5.006 7.936) 9.388 6.280 ( -0.572 -1.678 4.901) 5.212 6.280 ( -0.572 1.678 4.901) 5.212 6.875 ( 0.423 -3.106 -8.260) 8.835 6.875 ( 0.423 3.106 -8.260) 8.835 7.272 ( 0.264 -7.197 -6.355) 9.605 7.272 ( 0.264 7.197 -6.355) 9.605 7.702 ( 0.075 -1.255 0.673) 1.426 7.702 ( 0.075 1.255 0.673) 1.426 8.797 ( -0.186 -7.166 4.494) 8.461 8.797 ( -0.186 7.166 4.495) 8.461 12.365 ( -0.210 -2.067 2.007) 2.889 12.365 ( -0.210 2.067 2.007) 2.889 12.772 ( -0.054 -5.632 -2.729) 6.258 12.772 ( -0.054 5.632 -2.729) 6.258 12.952 ( 0.193 -3.398 1.579) 3.752 12.952 ( 0.193 3.398 1.579) 3.752 13.620 ( -0.108 -7.333 0.613) 7.359 13.620 ( -0.108 7.333 0.613) 7.359 13.846 ( 0.422 -9.314 -5.866) 11.016 13.846 ( 0.422 9.314 -5.866) 11.016 14.611 ( -0.027 -3.292 -3.906) 5.109 14.611 ( -0.027 3.292 -3.906) 5.109 15.543 ( -0.362 -3.265 8.111) 8.751 15.543 ( -0.362 3.265 8.111) 8.751 16.054 ( -0.575 -5.727 11.125) 12.526 16.054 ( -0.575 5.727 11.125) 12.526 16.512 ( 0.295 -7.675 0.896) 7.733 16.512 ( 0.295 7.675 0.896) 7.733 18.269 ( -0.217 -5.559 -5.570) 7.873 18.269 ( -0.217 5.559 -5.570) 7.873 19.171 ( 0.178 -5.912 2.908) 6.590 19.171 ( 0.178 5.912 2.908) 6.590 20.063 ( 0.229 -5.466 -5.355) 7.655 20.063 ( 0.229 5.466 -5.355) 7.655 ======================= Grid point 169 (90/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.337 -0.828 -1.149) 1.456 1.203 ( -0.337 0.828 -1.149) 1.456 1.734 ( 2.485 -10.585 -6.155) 12.494 1.734 ( 2.485 10.585 -6.155) 12.494 1.952 ( -2.207 -6.928 5.740) 9.264 1.952 ( -2.207 6.928 5.740) 9.264 2.165 ( -0.364 -5.890 4.173) 7.228 2.165 ( -0.364 5.890 4.173) 7.228 2.203 ( 0.040 -3.480 0.113) 3.482 2.203 ( 0.040 3.480 0.113) 3.482 2.634 ( 0.532 -5.023 1.343) 5.227 2.634 ( 0.532 5.023 1.343) 5.227 2.916 ( 0.243 -5.876 -0.598) 5.911 2.916 ( 0.243 5.876 -0.598) 5.911 3.378 ( -0.998 -6.659 -0.638) 6.764 3.378 ( -0.998 6.659 -0.638) 6.764 3.602 ( 0.583 -1.991 3.267) 3.870 3.602 ( 0.583 1.991 3.267) 3.870 4.311 ( 0.280 -7.467 8.675) 11.450 4.311 ( 0.280 7.467 8.675) 11.450 4.419 ( 0.104 -10.048 -15.049) 18.096 4.419 ( 0.104 10.048 -15.049) 18.096 4.904 ( -0.505 -3.879 2.801) 4.811 4.904 ( -0.505 3.879 2.801) 4.811 5.104 ( 1.085 -3.399 -2.224) 4.204 5.104 ( 1.085 3.399 -2.224) 4.204 5.181 ( -1.075 -4.309 -0.587) 4.479 5.181 ( -1.075 4.309 -0.587) 4.479 5.859 ( 0.072 -5.038 -2.005) 5.423 5.859 ( 0.072 5.038 -2.005) 5.423 6.088 ( -0.091 -5.277 8.006) 9.589 6.088 ( -0.091 5.277 8.006) 9.589 6.277 ( -0.066 -1.678 4.996) 5.271 6.277 ( -0.066 1.678 4.996) 5.271 6.876 ( 0.421 -3.284 -8.360) 8.992 6.876 ( 0.421 3.284 -8.360) 8.992 7.271 ( 0.292 -7.177 -6.253) 9.524 7.271 ( 0.292 7.177 -6.253) 9.524 7.702 ( -0.117 -1.252 0.602) 1.394 7.702 ( -0.117 1.252 0.602) 1.394 8.796 ( -0.248 -7.196 4.485) 8.483 8.796 ( -0.248 7.196 4.485) 8.483 12.369 ( 0.392 -2.048 1.662) 2.667 12.369 ( 0.392 2.048 1.662) 2.667 12.753 ( -1.297 -5.193 -0.947) 5.436 12.753 ( -1.297 5.193 -0.947) 5.436 12.963 ( 0.649 -2.688 0.146) 2.769 12.963 ( 0.649 2.688 0.146) 2.769 13.623 ( 0.287 -7.321 0.766) 7.367 13.623 ( 0.287 7.321 0.766) 7.367 13.845 ( 0.018 -9.108 -6.110) 10.968 13.845 ( 0.018 9.108 -6.110) 10.968 14.606 ( -0.076 -3.408 -3.759) 5.075 14.606 ( -0.076 3.408 -3.759) 5.075 15.549 ( 0.102 -2.917 8.147) 8.654 15.549 ( 0.102 2.917 8.147) 8.654 16.057 ( -0.164 -3.677 11.169) 11.760 16.057 ( -0.164 3.677 11.169) 11.760 16.510 ( -0.521 -8.093 0.724) 8.142 16.510 ( -0.521 8.093 0.724) 8.142 18.263 ( 0.217 -5.037 -5.319) 7.328 18.263 ( 0.217 5.037 -5.319) 7.329 19.176 ( 0.019 -5.649 2.712) 6.267 19.176 ( 0.019 5.649 2.712) 6.267 20.062 ( 0.140 -5.424 -5.352) 7.621 20.062 ( 0.140 5.424 -5.352) 7.621 ======================= Grid point 187 (91/114) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 2.377 0.000 3.093) 3.901 1.087 ( -5.527 0.000 1.934) 5.856 1.457 ( 2.264 0.000 12.915) 13.112 1.698 ( -0.153 0.000 -11.074) 11.075 1.971 ( -2.085 0.000 6.163) 6.506 2.043 ( 1.838 0.000 0.409) 1.883 2.220 ( 0.564 0.000 7.840) 7.860 2.327 ( -0.200 0.000 -2.621) 2.629 2.523 ( -3.914 0.000 1.185) 4.090 2.527 ( 3.266 0.000 0.968) 3.406 2.736 ( 0.693 0.000 9.997) 10.021 2.836 ( -0.115 0.000 3.501) 3.502 2.924 ( -1.730 0.000 -6.360) 6.592 2.930 ( 2.236 0.000 0.400) 2.271 3.047 ( -0.128 0.000 4.119) 4.121 3.220 ( -1.375 0.000 -11.391) 11.474 3.345 ( -0.611 0.000 6.299) 6.329 3.499 ( 1.522 0.000 -8.046) 8.189 4.319 ( -1.062 0.000 20.045) 20.073 4.586 ( -0.858 0.000 22.659) 22.675 4.610 ( 0.209 0.000 -9.842) 9.845 4.726 ( -0.164 0.000 3.866) 3.870 4.799 ( -2.260 0.000 -4.276) 4.837 4.833 ( 2.639 0.000 -0.445) 2.676 5.139 ( -0.381 0.000 -2.445) 2.474 5.242 ( 1.010 0.000 -14.726) 14.761 5.305 ( -1.208 0.000 16.129) 16.175 5.580 ( 0.472 0.000 -11.891) 11.900 5.962 ( -0.267 0.000 3.700) 3.710 6.052 ( 0.242 0.000 -3.269) 3.278 6.213 ( 0.010 0.000 6.156) 6.156 6.304 ( 0.325 0.000 -3.330) 3.345 6.421 ( -0.679 0.000 14.015) 14.032 6.665 ( 0.250 0.000 -9.917) 9.920 6.771 ( -0.294 0.000 8.836) 8.841 6.941 ( 0.269 0.000 -8.667) 8.671 6.989 ( -0.807 0.000 5.675) 5.732 7.165 ( 0.680 0.000 -12.307) 12.326 7.467 ( 0.322 0.000 -0.848) 0.907 7.480 ( 0.025 0.000 -1.187) 1.187 8.521 ( -0.328 0.000 11.303) 11.308 8.739 ( 0.331 0.000 -11.162) 11.167 12.259 ( -3.499 0.000 0.195) 3.504 12.260 ( 6.971 0.000 0.053) 6.972 12.696 ( -5.074 0.000 5.243) 7.296 12.799 ( 3.449 0.000 -4.977) 6.055 13.018 ( -0.264 0.000 8.781) 8.785 13.223 ( 0.047 0.000 -11.875) 11.875 13.782 ( -0.139 0.000 6.544) 6.545 13.916 ( -1.625 0.000 -6.752) 6.944 14.391 ( -0.446 0.000 3.500) 3.528 14.439 ( 0.317 0.000 -1.368) 1.404 15.070 ( -3.565 0.000 0.730) 3.639 15.072 ( 11.556 0.000 -1.594) 11.666 15.675 ( -16.703 0.000 15.125) 22.533 15.826 ( -8.475 0.000 2.286) 8.778 16.023 ( 18.615 0.000 -7.439) 20.046 16.119 ( 0.650 0.000 -14.168) 14.182 16.863 ( -9.536 0.000 4.301) 10.461 16.939 ( 11.721 0.000 -3.595) 12.260 18.160 ( -10.520 0.000 11.551) 15.624 18.362 ( 5.604 0.000 -9.250) 10.815 18.615 ( 3.946 0.000 10.484) 11.202 18.824 ( -2.028 0.000 -11.368) 11.548 20.099 ( -0.500 0.000 11.492) 11.503 20.280 ( 0.365 0.000 -7.498) 7.507 ======================= Grid point 188 (92/114) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -2.883 0.000 2.944) 4.120 1.064 ( -3.224 0.000 3.847) 5.020 1.512 ( 1.582 0.000 12.274) 12.375 1.720 ( 2.974 0.000 -11.717) 12.088 1.948 ( -0.409 0.000 5.717) 5.732 2.061 ( -0.427 0.000 0.673) 0.797 2.227 ( -0.607 0.000 8.288) 8.311 2.341 ( 2.572 0.000 -1.875) 3.183 2.421 ( -5.799 0.000 0.110) 5.800 2.529 ( -3.336 0.000 0.627) 3.394 2.756 ( 0.328 0.000 9.670) 9.675 2.851 ( 1.082 0.000 5.601) 5.705 2.925 ( 2.429 0.000 -7.145) 7.547 2.983 ( 2.516 0.000 -0.140) 2.520 3.018 ( -3.089 0.000 5.176) 6.028 3.169 ( -1.939 0.000 -12.425) 12.575 3.352 ( 0.630 0.000 6.249) 6.281 3.525 ( 1.436 0.000 -8.384) 8.506 4.319 ( -0.778 0.000 20.477) 20.492 4.570 ( -2.444 0.000 21.569) 21.707 4.612 ( 0.814 0.000 -9.131) 9.168 4.732 ( 0.123 0.000 5.163) 5.164 4.743 ( -2.139 0.000 -4.179) 4.695 4.888 ( 2.228 0.000 -1.252) 2.556 5.134 ( 0.268 0.000 -2.523) 2.537 5.242 ( 0.343 0.000 -14.613) 14.617 5.313 ( 0.310 0.000 16.290) 16.292 5.583 ( 0.854 0.000 -11.406) 11.438 5.960 ( -0.251 0.000 3.598) 3.607 6.055 ( 0.235 0.000 -3.264) 3.272 6.218 ( -0.128 0.000 5.524) 5.525 6.305 ( 0.048 0.000 -3.562) 3.562 6.422 ( -0.533 0.000 14.224) 14.233 6.666 ( 0.641 0.000 -9.621) 9.642 6.771 ( -0.500 0.000 8.831) 8.845 6.937 ( 0.226 0.000 -8.684) 8.687 6.985 ( -0.061 0.000 6.114) 6.115 7.167 ( 0.566 0.000 -12.225) 12.238 7.471 ( 0.081 0.000 -1.012) 1.015 7.476 ( -0.192 0.000 -1.432) 1.445 8.529 ( 0.016 0.000 11.005) 11.005 8.738 ( 0.565 0.000 -11.097) 11.112 12.207 ( -0.934 0.000 -2.691) 2.848 12.265 ( -6.442 0.000 2.574) 6.937 12.712 ( 5.848 0.000 1.917) 6.154 12.853 ( 1.664 0.000 -2.960) 3.395 13.020 ( -0.375 0.000 9.899) 9.906 13.238 ( 2.494 0.000 -14.234) 14.451 13.782 ( -0.487 0.000 7.148) 7.165 13.900 ( 0.848 0.000 -5.937) 5.997 14.381 ( -0.631 0.000 3.015) 3.080 14.430 ( -1.032 0.000 -0.925) 1.386 15.083 ( 5.093 0.000 -3.152) 5.989 15.296 ( -3.157 0.000 3.854) 4.981 15.380 ( 0.749 0.000 5.466) 5.517 15.660 ( -9.243 0.000 4.312) 10.199 16.155 ( 3.550 0.000 -10.928) 11.491 16.284 ( 5.189 0.000 -4.152) 6.645 16.734 ( 0.153 0.000 1.127) 1.137 17.066 ( -0.791 0.000 -4.217) 4.290 18.009 ( -3.356 0.000 14.968) 15.340 18.396 ( -2.155 0.000 -7.370) 7.678 18.682 ( 1.409 0.000 9.491) 9.595 18.812 ( 2.253 0.000 -12.079) 12.287 20.101 ( -0.364 0.000 11.301) 11.307 20.280 ( 0.345 0.000 -7.475) 7.483 ======================= Grid point 189 (93/114) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.363 0.000 1.775) 2.956 1.011 ( 4.292 0.000 0.972) 4.400 1.522 ( -2.038 0.000 13.142) 13.299 1.746 ( 0.247 0.000 -8.825) 8.829 1.978 ( 2.574 0.000 3.928) 4.696 2.030 ( -2.236 0.000 1.279) 2.576 2.214 ( -1.524 0.000 10.874) 10.980 2.343 ( -2.029 0.000 -1.404) 2.467 2.424 ( 5.798 0.000 -0.148) 5.800 2.452 ( -3.030 0.000 -2.227) 3.760 2.758 ( -1.231 0.000 11.829) 11.893 2.867 ( -0.371 0.000 5.221) 5.234 2.949 ( -3.406 0.000 7.853) 8.560 2.967 ( 1.695 0.000 -6.758) 6.967 3.023 ( 1.230 0.000 -5.543) 5.677 3.159 ( 2.370 0.000 -12.011) 12.243 3.365 ( -0.123 0.000 7.271) 7.272 3.527 ( -0.485 0.000 -8.291) 8.305 4.322 ( -0.790 0.000 20.681) 20.696 4.551 ( -1.033 0.000 19.467) 19.494 4.619 ( 0.617 0.000 -8.798) 8.819 4.725 ( 0.609 0.000 -4.148) 4.192 4.735 ( -0.357 0.000 7.824) 7.832 4.904 ( -0.475 0.000 -2.302) 2.350 5.143 ( 0.613 0.000 -2.434) 2.510 5.234 ( 0.305 0.000 -14.381) 14.384 5.330 ( -0.240 0.000 15.302) 15.303 5.588 ( 0.563 0.000 -11.149) 11.163 5.960 ( -0.066 0.000 3.704) 3.704 6.055 ( 0.073 0.000 -3.698) 3.699 6.216 ( -0.531 0.000 5.534) 5.559 6.302 ( -0.024 0.000 -3.339) 3.339 6.424 ( -0.603 0.000 14.303) 14.316 6.670 ( 0.648 0.000 -9.712) 9.734 6.769 ( -0.490 0.000 8.687) 8.701 6.937 ( 0.490 0.000 -8.656) 8.670 6.994 ( 0.296 0.000 5.598) 5.605 7.166 ( 0.440 0.000 -12.199) 12.207 7.468 ( -0.231 0.000 -1.200) 1.222 7.474 ( 0.066 0.000 -1.008) 1.010 8.533 ( -0.638 0.000 10.389) 10.408 8.741 ( 0.663 0.000 -10.888) 10.908 12.138 ( -5.125 0.000 6.304) 8.125 12.230 ( 3.296 0.000 -2.908) 4.395 12.808 ( 2.663 0.000 1.096) 2.879 12.837 ( -2.936 0.000 -2.229) 3.687 13.021 ( -0.454 0.000 9.902) 9.912 13.266 ( 1.112 0.000 -15.330) 15.370 13.778 ( -0.460 0.000 6.823) 6.838 13.934 ( 2.739 0.000 -9.873) 10.246 14.380 ( 0.239 0.000 2.781) 2.791 14.408 ( -0.716 0.000 -0.074) 0.720 15.051 ( -11.507 0.000 15.209) 19.072 15.221 ( 6.693 0.000 1.661) 6.896 15.515 ( -3.522 0.000 -4.121) 5.421 15.634 ( 14.197 0.000 -12.988) 19.241 16.194 ( -9.867 0.000 0.475) 9.879 16.220 ( 3.323 0.000 -1.882) 3.819 16.879 ( 9.739 0.000 1.862) 9.915 16.901 ( -13.071 0.000 -0.663) 13.088 18.088 ( 8.359 0.000 11.897) 14.540 18.309 ( -4.360 0.000 -10.671) 11.528 18.670 ( -3.534 0.000 9.299) 9.948 18.858 ( 2.519 0.000 -10.246) 10.552 20.103 ( -0.522 0.000 11.176) 11.188 20.280 ( 0.309 0.000 -7.425) 7.432 ======================= Grid point 190 (94/114) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.773 0.000 1.031) 2.958 1.108 ( 3.936 0.000 -0.791) 4.015 1.463 ( -4.241 0.000 14.579) 15.184 1.726 ( -1.240 0.000 -8.745) 8.832 2.002 ( -1.050 0.000 5.096) 5.203 2.013 ( 0.663 0.000 1.090) 1.276 2.203 ( -0.081 0.000 10.107) 10.108 2.331 ( 0.180 0.000 -2.755) 2.761 2.454 ( 3.194 0.000 -1.856) 3.694 2.525 ( 3.713 0.000 1.103) 3.874 2.734 ( -1.795 0.000 12.327) 12.457 2.849 ( -1.378 0.000 3.327) 3.601 2.915 ( -0.775 0.000 4.631) 4.695 2.965 ( -1.222 0.000 -6.073) 6.195 3.034 ( 0.794 0.000 -2.669) 2.785 3.212 ( 3.064 0.000 -10.968) 11.388 3.359 ( -1.123 0.000 7.337) 7.422 3.501 ( -0.995 0.000 -7.966) 8.028 4.322 ( -1.047 0.000 20.251) 20.278 4.566 ( 0.561 0.000 19.922) 19.930 4.618 ( 0.052 0.000 -9.733) 9.733 4.732 ( -0.689 0.000 7.191) 7.223 4.758 ( 3.082 0.000 -2.648) 4.063 4.870 ( -2.687 0.000 -2.833) 3.905 5.146 ( -0.063 0.000 -2.269) 2.269 5.234 ( 0.971 0.000 -14.526) 14.558 5.324 ( -1.694 0.000 15.012) 15.107 5.584 ( 0.190 0.000 -11.625) 11.627 5.963 ( -0.085 0.000 3.805) 3.806 6.052 ( 0.080 0.000 -3.733) 3.734 6.211 ( -0.406 0.000 6.178) 6.191 6.301 ( 0.254 0.000 -3.108) 3.118 6.423 ( -0.742 0.000 14.098) 14.118 6.670 ( 0.234 0.000 -10.016) 10.019 6.769 ( -0.298 0.000 8.697) 8.702 6.940 ( 0.578 0.000 -8.623) 8.643 6.998 ( -0.444 0.000 5.141) 5.160 7.164 ( 0.526 0.000 -12.288) 12.299 7.464 ( 0.013 0.000 -1.035) 1.036 7.477 ( 0.299 0.000 -0.748) 0.805 8.525 ( -1.008 0.000 10.682) 10.729 8.742 ( 0.431 0.000 -10.954) 10.962 12.130 ( 4.010 0.000 5.043) 6.443 12.287 ( 1.386 0.000 0.161) 1.396 12.778 ( -1.525 0.000 -4.517) 4.767 12.795 ( -3.990 0.000 3.033) 5.012 13.018 ( -0.598 0.000 8.859) 8.880 13.249 ( -1.203 0.000 -12.869) 12.925 13.778 ( -0.122 0.000 6.244) 6.245 13.950 ( -0.468 0.000 -10.535) 10.545 14.389 ( 0.271 0.000 3.265) 3.277 14.419 ( 1.586 0.000 -0.957) 1.852 14.950 ( 0.242 0.000 8.458) 8.461 15.186 ( -7.690 0.000 6.824) 10.281 15.665 ( 17.204 0.000 -14.054) 22.215 15.807 ( 3.484 0.000 -7.475) 8.247 16.007 ( -9.689 0.000 3.840) 10.422 16.203 ( -6.667 0.000 1.911) 6.935 16.766 ( 2.874 0.000 -2.293) 3.677 16.974 ( -1.089 0.000 5.263) 5.374 18.238 ( 3.553 0.000 9.151) 9.816 18.276 ( 2.687 0.000 -12.487) 12.773 18.591 ( -3.819 0.000 10.616) 11.282 18.867 ( -0.755 0.000 -9.868) 9.897 20.101 ( -0.660 0.000 11.367) 11.386 20.279 ( 0.329 0.000 -7.449) 7.456 ======================= Grid point 191 (95/114) ======================= q-point: ( 0.00 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 1.060 0.547 4.823) 4.968 1.111 ( -0.192 0.900 -0.386) 0.998 1.501 ( -2.343 4.283 12.636) 13.546 1.723 ( 0.586 2.217 -9.334) 9.611 1.953 ( 0.357 -1.088 7.690) 7.775 2.062 ( -2.749 -0.243 2.183) 3.519 2.155 ( 1.813 -3.984 5.068) 6.697 2.289 ( 0.259 -3.168 -3.958) 5.076 2.495 ( -1.344 -2.573 0.885) 3.035 2.501 ( 1.657 -2.541 0.436) 3.065 2.696 ( 0.527 -3.071 6.451) 7.164 2.822 ( 0.186 -3.559 -5.774) 6.785 2.897 ( -1.022 1.586 4.188) 4.594 2.971 ( 1.445 1.757 -1.103) 2.528 3.090 ( -0.235 3.755 7.215) 8.137 3.267 ( -1.049 3.829 -10.506) 11.231 3.411 ( -0.673 5.212 3.731) 6.445 3.519 ( 1.368 2.254 -6.490) 7.005 4.347 ( -0.965 2.817 18.601) 18.838 4.559 ( -0.979 -2.296 19.056) 19.219 4.616 ( -0.264 -0.563 -6.003) 6.035 4.695 ( -0.307 -1.916 6.039) 6.343 4.795 ( 3.293 -2.573 -1.644) 4.491 4.831 ( -2.693 1.405 -2.602) 4.000 5.082 ( -0.035 -4.641 -0.794) 4.709 5.201 ( -0.437 -5.933 3.221) 6.766 5.244 ( 0.337 -2.774 -5.670) 6.321 5.501 ( 0.713 -7.961 -14.980) 16.979 5.933 ( -0.177 -1.615 5.408) 5.647 6.045 ( 0.147 -0.360 -5.421) 5.435 6.235 ( -0.088 1.947 5.805) 6.123 6.315 ( 0.243 0.980 -2.592) 2.782 6.450 ( -0.609 1.438 13.879) 13.966 6.669 ( 0.203 -0.847 -8.028) 8.075 6.777 ( -0.321 0.406 7.768) 7.785 6.933 ( 0.303 -1.012 -5.382) 5.485 6.952 ( -0.605 -2.129 4.564) 5.073 7.152 ( 0.513 -0.338 -12.898) 12.912 7.511 ( 0.140 4.323 1.417) 4.551 7.561 ( 0.190 5.783 -3.978) 7.021 8.531 ( -0.344 1.142 12.097) 12.156 8.757 ( 0.348 1.650 -11.216) 11.342 12.264 ( 3.162 1.049 1.319) 3.582 12.285 ( -0.074 1.842 -0.823) 2.019 12.708 ( -4.279 1.105 5.635) 7.161 12.813 ( 2.872 1.403 -4.841) 5.801 12.994 ( -0.798 -2.233 7.997) 8.341 13.191 ( -0.009 -3.166 -11.640) 12.063 13.726 ( 0.131 -4.675 6.106) 7.691 13.861 ( -1.236 -5.199 -7.250) 9.007 14.379 ( -0.713 -1.162 4.638) 4.834 14.451 ( 0.842 0.840 -2.779) 3.023 14.932 ( 5.029 -11.941 6.524) 14.507 15.023 ( -1.192 -5.861 -3.313) 6.837 15.548 ( -12.823 -4.727 9.136) 16.439 15.745 ( 12.278 -9.728 -11.606) 19.495 16.077 ( -7.569 7.653 6.964) 12.820 16.244 ( 4.698 4.490 -8.986) 11.089 16.832 ( -4.617 -2.743 2.818) 6.064 16.891 ( 6.744 -4.081 -2.948) 8.415 18.163 ( -7.621 0.221 10.785) 13.208 18.364 ( 5.638 -0.118 -9.710) 11.229 18.662 ( 1.757 4.696 10.821) 11.926 18.877 ( -1.501 4.666 -11.358) 12.370 20.091 ( -0.456 -0.843 11.069) 11.111 20.269 ( 0.362 -1.137 -7.560) 7.654 ======================= Grid point 192 (96/114) ======================= q-point: ( 0.25 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.721 3.897 0.543) 4.000 1.102 ( -3.259 3.196 2.958) 5.439 1.501 ( 1.674 -0.059 13.276) 13.381 1.743 ( 1.934 2.166 -8.478) 8.961 1.945 ( -1.125 -0.674 5.213) 5.375 2.005 ( -3.347 -4.667 6.275) 8.506 2.198 ( 1.590 -1.817 2.705) 3.626 2.307 ( 2.073 -3.137 -2.058) 4.286 2.394 ( -5.680 -2.364 0.719) 6.194 2.524 ( -1.882 -0.916 -1.779) 2.747 2.720 ( 1.156 -2.735 6.482) 7.129 2.847 ( 2.647 -3.907 -7.337) 8.723 2.906 ( 1.420 2.687 6.110) 6.824 3.013 ( 2.656 1.031 -2.400) 3.725 3.056 ( -3.941 3.732 9.197) 10.679 3.213 ( -2.639 3.641 -10.989) 11.873 3.417 ( 0.788 5.214 3.765) 6.479 3.547 ( 1.534 2.333 -6.900) 7.443 4.347 ( -0.731 2.793 18.919) 19.138 4.543 ( -2.074 -2.360 19.519) 19.770 4.615 ( 0.779 -0.485 -8.228) 8.279 4.697 ( -0.363 -1.846 9.268) 9.457 4.779 ( -2.320 1.571 -3.534) 4.510 4.855 ( 2.884 -2.753 -1.964) 4.445 5.083 ( 0.180 -4.329 -0.759) 4.398 5.209 ( 0.851 -5.845 4.527) 7.442 5.238 ( -0.336 -3.107 -6.746) 7.434 5.504 ( 0.930 -7.916 -14.618) 16.650 5.935 ( -0.150 -1.428 5.220) 5.414 6.042 ( 0.097 -0.551 -5.315) 5.344 6.238 ( -0.155 1.858 5.427) 5.739 6.317 ( 0.152 0.958 -2.582) 2.758 6.452 ( -0.481 1.482 13.814) 13.902 6.668 ( 0.387 -0.948 -7.878) 7.944 6.777 ( -0.379 0.376 7.802) 7.820 6.934 ( 0.376 -0.406 -8.100) 8.119 6.947 ( -0.274 -2.415 7.604) 7.983 7.151 ( 0.505 -0.547 -12.677) 12.698 7.513 ( -0.104 4.258 1.250) 4.439 7.559 ( -0.016 5.777 -4.179) 7.130 8.539 ( -0.106 1.066 11.830) 11.879 8.756 ( 0.596 1.688 -11.205) 11.347 12.239 ( -0.661 2.853 -2.422) 3.800 12.280 ( -5.094 1.356 2.118) 5.681 12.720 ( 4.932 0.839 2.777) 5.722 12.858 ( 1.353 0.569 -3.313) 3.623 12.984 ( -0.872 -3.198 9.554) 10.113 13.195 ( 1.458 -4.016 -12.815) 13.508 13.733 ( -0.169 -4.282 6.501) 7.786 13.849 ( 0.810 -4.807 -6.328) 7.988 14.365 ( -0.794 -1.436 4.125) 4.439 14.448 ( -0.827 1.280 -2.564) 2.982 14.953 ( 0.025 -11.498 5.546) 12.766 15.084 ( 0.279 -13.968 -3.154) 14.322 15.430 ( 3.787 3.512 3.346) 6.154 15.818 ( -10.877 9.483 4.670) 15.167 15.997 ( 9.589 -10.861 -11.282) 18.363 16.304 ( -4.350 -0.743 1.239) 4.584 16.745 ( 2.195 0.660 -0.687) 2.393 17.012 ( 1.077 -5.089 -3.417) 6.224 18.058 ( -2.239 3.826 11.944) 12.740 18.403 ( -1.799 0.504 -8.044) 8.258 18.701 ( 1.257 2.339 9.983) 10.330 18.864 ( 1.419 4.693 -11.210) 12.235 20.093 ( -0.383 -0.862 10.871) 10.911 20.269 ( 0.333 -1.147 -7.550) 7.644 ======================= Grid point 193 (97/114) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -3.550 2.969 4.972) 6.792 1.072 ( 2.716 3.413 -0.799) 4.434 1.549 ( 0.871 2.677 12.392) 12.708 1.757 ( -0.080 1.099 -8.021) 8.097 1.919 ( -2.056 -4.614 7.278) 8.859 1.998 ( 3.043 -1.642 0.889) 3.570 2.205 ( -1.311 -1.811 6.198) 6.589 2.308 ( -1.733 -3.294 -2.571) 4.524 2.372 ( 2.874 -3.069 3.595) 5.532 2.466 ( -2.049 -0.092 -4.360) 4.819 2.736 ( -0.481 -1.503 6.921) 7.099 2.875 ( 0.153 -3.760 -7.084) 8.021 2.937 ( 0.385 2.866 7.122) 7.687 2.989 ( -2.780 3.090 7.023) 8.161 3.048 ( 1.008 0.868 -1.763) 2.209 3.190 ( 1.953 2.761 -11.247) 11.745 3.432 ( 0.209 5.430 4.391) 6.986 3.552 ( -0.458 2.557 -7.034) 7.499 4.350 ( -0.753 2.716 19.097) 19.304 4.531 ( -0.662 -1.890 18.482) 18.590 4.623 ( 0.636 -0.135 -7.846) 7.873 4.702 ( 0.122 -2.168 10.407) 10.631 4.742 ( -1.182 0.421 -3.352) 3.579 4.888 ( 0.685 -1.221 -2.523) 2.885 5.087 ( 0.185 -4.621 -1.162) 4.768 5.222 ( 0.133 -1.642 -14.385) 14.479 5.232 ( 0.136 -7.605 11.846) 14.078 5.507 ( 0.606 -8.137 -14.511) 16.648 5.935 ( -0.283 -1.400 4.989) 5.189 6.042 ( 0.333 -0.481 -5.327) 5.359 6.237 ( -0.418 1.818 5.576) 5.879 6.316 ( -0.017 1.068 -2.426) 2.651 6.453 ( -0.640 1.456 13.683) 13.775 6.670 ( 0.518 -1.124 -7.750) 7.848 6.776 ( -0.374 0.499 7.643) 7.668 6.933 ( 0.263 -0.725 -7.739) 7.777 6.953 ( 0.111 -2.371 6.728) 7.134 7.151 ( 0.639 -0.431 -12.565) 12.589 7.510 ( -0.251 4.262 1.178) 4.429 7.556 ( 0.153 5.787 -3.926) 6.995 8.541 ( -0.703 0.963 11.357) 11.420 8.759 ( 0.655 1.680 -11.047) 11.193 12.173 ( -4.484 3.126 5.946) 8.076 12.259 ( 2.590 2.574 -2.721) 4.554 12.804 ( 2.037 -0.203 1.437) 2.501 12.843 ( -2.205 0.568 -2.529) 3.403 12.986 ( 0.201 -3.107 9.081) 9.600 13.213 ( 1.246 -4.744 -14.241) 15.062 13.729 ( -0.728 -4.285 6.517) 7.833 13.875 ( 2.143 -5.390 -8.743) 10.492 14.365 ( 0.425 -1.258 4.128) 4.336 14.424 ( -1.066 1.023 -1.866) 2.380 14.893 ( -5.997 -11.835 13.538) 18.955 15.122 ( 5.419 -10.732 -8.491) 14.719 15.517 ( -4.431 2.382 7.725) 9.218 15.725 ( 9.194 4.110 -11.700) 15.438 16.104 ( -13.678 -4.536 4.139) 14.993 16.192 ( 10.281 -3.928 -5.543) 12.323 16.826 ( -2.522 -3.011 6.568) 7.653 16.949 ( -0.620 1.043 -6.287) 6.403 18.121 ( 6.396 2.647 11.037) 13.028 18.317 ( -4.641 0.910 -8.879) 10.060 18.703 ( -2.374 3.169 9.022) 9.853 18.896 ( 2.321 3.649 -10.684) 11.526 20.094 ( -0.530 -0.917 10.789) 10.841 20.269 ( 0.318 -1.159 -7.515) 7.611 ======================= Grid point 194 (98/114) ======================= q-point: (-0.25 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 2.008 0.664 4.487) 4.960 1.120 ( 1.130 0.550 0.931) 1.564 1.538 ( -2.388 6.462 10.606) 12.647 1.737 ( -0.896 0.988 -8.486) 8.590 1.921 ( 1.449 -2.896 8.103) 8.726 2.067 ( 2.983 0.163 -3.576) 4.660 2.162 ( -3.318 -3.268 11.248) 12.174 2.295 ( -0.212 -2.624 -3.661) 4.509 2.414 ( 3.263 -3.067 -0.407) 4.497 2.496 ( 3.267 -3.038 0.840) 4.540 2.711 ( -2.335 -1.427 6.751) 7.284 2.845 ( -1.872 -2.817 -4.111) 5.324 2.923 ( -1.709 0.906 4.054) 4.492 2.968 ( -0.696 2.521 1.848) 3.202 3.068 ( 1.440 2.381 2.357) 3.647 3.246 ( 3.689 2.886 -10.282) 11.299 3.428 ( -1.055 5.442 4.349) 7.046 3.526 ( -1.208 2.611 -6.707) 7.298 4.350 ( -0.954 2.740 18.791) 19.014 4.546 ( 0.322 -1.843 18.264) 18.359 4.624 ( 0.118 -0.108 -6.372) 6.374 4.704 ( -1.043 -2.397 8.223) 8.629 4.744 ( 1.975 -1.234 -2.639) 3.520 4.876 ( -1.639 0.470 -2.477) 3.008 5.086 ( -0.147 -4.829 -1.336) 5.013 5.212 ( -0.377 -4.585 -4.565) 6.481 5.240 ( 0.140 -4.484 1.848) 4.852 5.503 ( 0.412 -8.178 -14.839) 16.948 5.933 ( -0.328 -1.588 5.163) 5.411 6.045 ( 0.394 -0.291 -5.441) 5.463 6.234 ( -0.367 1.898 5.959) 6.264 6.314 ( 0.074 1.097 -2.439) 2.676 6.451 ( -0.759 1.412 13.753) 13.846 6.672 ( 0.316 -1.021 -7.899) 7.971 6.777 ( -0.317 0.526 7.602) 7.626 6.932 ( 0.313 -1.076 -6.611) 6.705 6.957 ( -0.323 -2.342 5.281) 5.787 7.153 ( 0.642 -0.219 -12.791) 12.809 7.508 ( -0.019 4.326 1.333) 4.527 7.558 ( 0.385 5.793 -3.700) 6.884 8.534 ( -0.963 1.040 11.618) 11.704 8.760 ( 0.410 1.642 -11.058) 11.187 12.163 ( 3.220 3.062 5.110) 6.772 12.301 ( 0.971 1.342 -0.149) 1.663 12.786 ( -2.140 0.482 -0.279) 2.212 12.802 ( -2.497 0.848 -0.592) 2.702 12.996 ( -0.078 -2.063 7.548) 7.825 13.209 ( -0.366 -3.816 -12.903) 13.460 13.723 ( -0.375 -4.688 6.131) 7.727 13.888 ( -0.271 -5.782 -9.727) 11.319 14.379 ( 0.286 -1.023 4.535) 4.658 14.426 ( 1.485 0.407 -2.119) 2.620 14.844 ( 0.763 -9.195 9.735) 13.412 15.128 ( -5.909 -7.651 0.883) 9.707 15.520 ( 8.573 -5.173 -8.624) 13.215 15.821 ( -13.730 -9.929 7.111) 18.376 15.966 ( 11.296 7.232 -7.897) 15.565 16.318 ( -0.868 4.201 -1.607) 4.581 16.719 ( 0.329 -4.137 1.943) 4.582 16.970 ( -2.243 -0.558 0.793) 2.443 18.228 ( 1.327 -0.901 9.683) 9.815 18.279 ( 2.628 0.503 -9.753) 10.113 18.652 ( -2.393 5.457 8.959) 10.759 18.909 ( -0.278 3.870 -10.402) 11.102 20.092 ( -0.605 -0.899 10.987) 11.040 20.268 ( 0.348 -1.148 -7.525) 7.620 ======================= Grid point 195 (99/114) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.072 2.905 3.384) 5.416 1.126 ( 0.459 1.065 0.840) 1.432 1.608 ( -4.978 4.666 10.472) 12.499 1.774 ( 1.374 2.262 -4.469) 5.194 1.917 ( -1.698 -2.398 7.915) 8.443 2.022 ( -3.139 -0.438 10.318) 10.794 2.101 ( 3.424 -3.175 -6.280) 7.826 2.242 ( -0.493 -0.886 -5.525) 5.617 2.422 ( -1.314 -4.253 0.184) 4.456 2.431 ( 3.535 -3.918 -0.350) 5.289 2.630 ( -0.596 -3.056 5.461) 6.286 2.748 ( 0.372 -2.725 -7.708) 8.184 2.937 ( -0.404 1.196 3.808) 4.011 2.992 ( 0.761 0.509 -1.692) 1.924 3.182 ( 0.505 4.547 8.044) 9.254 3.344 ( -0.710 3.192 -8.825) 9.412 3.512 ( -0.536 4.088 3.073) 5.142 3.599 ( 0.846 5.130 -5.483) 7.556 4.420 ( -0.938 1.077 12.715) 12.795 4.500 ( -1.094 -3.044 17.597) 17.892 4.536 ( -0.843 -4.501 10.460) 11.418 4.670 ( 0.855 -2.125 2.626) 3.485 4.729 ( 0.934 -2.415 -4.439) 5.139 4.868 ( -1.297 2.042 -3.766) 4.476 4.986 ( -0.281 -3.735 3.635) 5.220 5.080 ( -0.274 -3.961 -0.246) 3.978 5.189 ( 1.068 -2.967 -13.796) 14.151 5.277 ( 0.953 -11.826 -15.835) 19.786 5.922 ( -0.175 0.383 6.481) 6.495 6.047 ( 0.066 0.341 -6.187) 6.197 6.284 ( 0.077 2.498 5.089) 5.669 6.340 ( -0.074 1.316 -0.946) 1.623 6.426 ( -0.442 -4.056 11.305) 12.019 6.587 ( 0.135 -6.948 -4.943) 8.528 6.777 ( -0.230 -0.637 5.372) 5.414 6.911 ( 0.540 -1.832 -7.790) 8.020 6.941 ( -0.634 1.927 9.172) 9.394 7.171 ( 0.344 1.917 -13.244) 13.386 7.608 ( 0.026 4.360 2.100) 4.839 7.670 ( 0.203 4.151 -4.477) 6.109 8.576 ( -0.387 3.370 12.785) 13.227 8.801 ( 0.380 2.462 -10.471) 10.763 12.299 ( 2.461 2.110 1.982) 3.800 12.330 ( -0.449 2.384 -1.256) 2.732 12.737 ( -2.462 1.461 7.170) 7.721 12.852 ( 2.157 1.895 -3.131) 4.248 12.936 ( -1.639 -2.633 3.769) 4.881 13.091 ( -0.165 -6.335 -10.319) 12.110 13.624 ( 0.295 -4.541 4.031) 6.079 13.726 ( -0.453 -6.983 -5.720) 9.038 14.326 ( -1.226 -4.897 6.515) 8.242 14.444 ( 2.113 -3.079 -5.757) 6.862 14.657 ( 1.283 -11.724 10.932) 16.081 14.844 ( -2.106 -10.303 -8.155) 13.308 15.516 ( -5.735 0.752 4.451) 7.299 15.603 ( 9.453 -3.109 -5.576) 11.407 16.175 ( -8.844 1.366 5.839) 10.686 16.272 ( 3.928 -0.553 -3.341) 5.186 16.737 ( 8.581 -6.291 3.702) 11.266 16.813 ( -7.022 -3.404 -4.178) 8.852 18.167 ( -3.727 0.122 9.336) 10.054 18.351 ( 4.746 -1.209 -9.165) 10.391 18.799 ( -0.307 8.035 9.262) 12.266 18.996 ( -0.677 6.411 -10.526) 12.343 20.062 ( -0.392 -2.032 9.754) 9.971 20.229 ( 0.386 -2.833 -7.571) 8.093 ======================= Grid point 196 (100/114) ======================= q-point: ( 0.25 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -0.058 2.168 -0.197) 2.178 1.158 ( -0.742 1.463 0.138) 1.646 1.561 ( 0.561 5.919 13.332) 14.597 1.802 ( 1.566 3.133 -3.164) 4.719 1.869 ( -3.454 -3.668 10.951) 12.054 1.983 ( -1.377 1.484 4.418) 4.859 2.144 ( 1.506 -3.786 -5.046) 6.486 2.236 ( -0.339 -3.332 -1.537) 3.685 2.337 ( -4.477 -2.970 0.960) 5.458 2.479 ( -0.171 -3.369 -4.700) 5.785 2.655 ( 2.147 -3.330 5.455) 6.742 2.773 ( 2.311 -2.895 -7.026) 7.942 2.952 ( 1.634 1.045 3.739) 4.212 3.018 ( 1.779 -0.168 -1.660) 2.439 3.154 ( -3.900 5.234 8.486) 10.706 3.290 ( -2.996 3.411 -9.346) 10.390 3.521 ( 1.005 4.213 3.074) 5.312 3.624 ( 1.578 4.783 -5.644) 7.565 4.409 ( -1.082 -0.723 12.864) 12.930 4.493 ( -1.042 -0.280 18.099) 18.131 4.544 ( 0.500 -4.866 10.191) 11.304 4.679 ( -0.353 -0.392 2.696) 2.747 4.739 ( 0.219 -4.879 -4.354) 6.543 4.853 ( 0.522 2.552 -3.634) 4.471 4.987 ( 0.015 -4.202 3.266) 5.322 5.081 ( 0.347 -4.142 1.066) 4.291 5.191 ( 0.434 -2.330 -14.912) 15.099 5.282 ( 0.847 -11.844 -15.446) 19.483 5.926 ( -0.044 0.461 6.381) 6.398 6.044 ( 0.243 0.478 -6.005) 6.029 6.286 ( -0.288 2.563 4.873) 5.513 6.337 ( -0.116 0.857 -0.828) 1.198 6.428 ( -0.421 -4.154 11.016) 11.780 6.584 ( 0.073 -6.921 -4.900) 8.480 6.777 ( -0.263 -0.582 5.273) 5.312 6.910 ( 0.041 -1.970 -7.053) 7.323 6.943 ( -0.012 2.066 8.662) 8.905 7.168 ( 0.530 1.952 -12.870) 13.028 7.609 ( -0.162 4.313 1.990) 4.753 7.668 ( 0.035 4.182 -4.562) 6.189 8.581 ( -0.322 3.232 12.573) 12.986 8.801 ( 0.557 2.486 -10.521) 10.825 12.305 ( -1.071 2.706 0.362) 2.933 12.320 ( -1.439 2.723 -0.619) 3.141 12.746 ( 2.896 1.505 5.031) 5.997 12.880 ( 0.026 1.465 -4.221) 4.468 12.908 ( -0.788 -3.356 7.696) 8.433 13.085 ( 0.564 -6.292 -10.221) 12.016 13.631 ( -0.039 -4.910 4.316) 6.538 13.722 ( 0.593 -6.739 -5.319) 8.606 14.308 ( -0.762 -4.855 5.776) 7.584 14.456 ( -0.509 -1.948 -6.038) 6.365 14.671 ( -1.187 -13.015 11.807) 17.612 14.826 ( 1.087 -10.811 -9.607) 14.504 15.494 ( 3.046 2.590 4.176) 5.782 15.782 ( 5.729 -8.721 -7.885) 13.079 15.975 ( -5.313 5.452 3.681) 8.456 16.278 ( -7.537 -0.703 3.814) 8.476 16.735 ( 2.362 -2.063 -2.139) 3.796 16.869 ( 2.750 -8.358 -0.090) 8.799 18.126 ( -0.478 2.326 8.344) 8.675 18.399 ( -0.039 -1.359 -9.659) 9.754 18.797 ( -0.310 6.944 10.458) 12.558 18.986 ( 0.660 6.647 -10.093) 12.104 20.063 ( -0.383 -2.073 9.580) 9.809 20.229 ( 0.339 -2.789 -7.603) 8.106 ======================= Grid point 197 (101/114) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -3.877 1.598 5.189) 6.672 1.129 ( 0.066 2.582 0.402) 2.614 1.638 ( 4.359 5.906 10.504) 12.815 1.787 ( -2.265 1.607 -0.701) 2.864 1.860 ( 1.380 -0.099 7.088) 7.222 1.989 ( 1.895 0.774 -2.234) 3.030 2.138 ( -2.289 -3.986 1.625) 4.875 2.222 ( 0.222 -4.427 -3.369) 5.567 2.312 ( 1.394 -2.967 4.482) 5.553 2.436 ( -2.841 -2.818 -6.550) 7.676 2.691 ( 0.533 -3.007 5.088) 5.934 2.793 ( 0.077 -3.494 -6.685) 7.543 2.985 ( 0.269 0.576 4.176) 4.224 3.033 ( -0.896 0.376 -1.013) 1.403 3.094 ( -1.210 4.508 7.725) 9.026 3.261 ( 1.400 3.766 -9.303) 10.134 3.539 ( 0.304 4.244 3.374) 5.431 3.632 ( -0.246 4.765 -5.886) 7.576 4.408 ( -0.204 -0.776 13.535) 13.559 4.494 ( -0.549 0.729 17.296) 17.320 4.559 ( -0.121 -5.640 9.986) 11.469 4.665 ( -1.011 -1.087 3.298) 3.617 4.730 ( -0.500 -2.261 -4.414) 4.984 4.876 ( 1.585 0.664 -3.939) 4.297 4.990 ( -0.015 -3.974 2.932) 4.938 5.089 ( 0.185 -4.280 1.055) 4.412 5.184 ( 0.303 -2.373 -15.080) 15.268 5.280 ( 0.402 -11.877 -15.140) 19.247 5.928 ( -0.389 0.548 6.130) 6.167 6.046 ( 0.489 0.629 -5.920) 5.973 6.282 ( -0.550 2.286 4.940) 5.471 6.336 ( 0.142 0.830 -0.630) 1.052 6.428 ( -0.537 -4.205 10.780) 11.584 6.584 ( 0.304 -7.115 -4.796) 8.586 6.776 ( -0.251 -0.658 5.250) 5.297 6.905 ( 0.138 -1.706 -5.775) 6.023 6.949 ( -0.165 1.814 7.050) 7.282 7.170 ( 0.831 2.015 -12.797) 12.981 7.607 ( -0.205 4.394 1.978) 4.823 7.666 ( 0.188 4.225 -4.398) 6.102 8.582 ( -0.742 3.148 12.358) 12.774 8.803 ( 0.562 2.419 -10.426) 10.717 12.253 ( -2.781 4.222 4.893) 7.035 12.323 ( 1.099 3.205 -2.167) 4.022 12.806 ( 1.694 0.431 2.201) 2.811 12.847 ( -2.167 -1.143 1.151) 2.707 12.924 ( 1.252 -1.356 3.203) 3.696 13.094 ( 1.209 -6.267 -11.588) 13.229 13.627 ( -0.740 -4.935 4.723) 6.871 13.735 ( 1.049 -7.420 -5.907) 9.541 14.314 ( 0.687 -4.530 6.150) 7.669 14.424 ( -1.751 -2.269 -5.094) 5.845 14.644 ( -2.051 -10.587 11.299) 15.619 14.861 ( 3.075 -12.644 -10.969) 17.019 15.544 ( -2.666 -0.261 10.980) 11.302 15.737 ( -0.129 -2.558 -7.719) 8.132 16.079 ( -7.128 1.321 1.512) 7.406 16.126 ( 10.932 -0.253 -2.985) 11.335 16.743 ( -5.763 -5.290 8.895) 11.846 16.910 ( 3.989 -4.642 -8.118) 10.167 18.165 ( 2.952 1.156 9.226) 9.755 18.339 ( -4.049 0.515 -8.450) 9.384 18.803 ( -0.469 6.634 9.282) 11.418 19.000 ( 1.561 6.037 -10.596) 12.295 20.063 ( -0.477 -2.080 9.570) 9.805 20.228 ( 0.297 -2.798 -7.592) 8.096 ======================= Grid point 198 (102/114) ======================= q-point: (-0.25 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.497 3.085 6.155) 6.902 1.132 ( -0.286 1.031 2.838) 3.033 1.673 ( -1.841 5.131 8.322) 9.948 1.764 ( 0.031 1.647 -3.964) 4.292 1.904 ( 2.127 0.841 6.922) 7.290 2.038 ( 3.449 -1.737 -6.776) 7.800 2.080 ( -3.722 -3.539 8.602) 10.019 2.249 ( 1.523 -2.017 -4.737) 5.369 2.349 ( 2.002 -3.186 1.288) 3.977 2.416 ( 1.856 -4.272 -0.851) 4.735 2.671 ( -2.922 -2.642 4.613) 6.067 2.769 ( -1.491 -3.284 -6.824) 7.719 2.958 ( -2.150 0.959 4.334) 4.932 3.001 ( -1.450 0.995 -0.903) 1.977 3.134 ( 3.174 3.649 6.602) 8.184 3.314 ( 3.904 3.462 -8.192) 9.713 3.532 ( -1.327 4.088 3.076) 5.285 3.611 ( -1.148 5.095 -5.649) 7.693 4.419 ( -0.149 0.775 13.444) 13.467 4.499 ( -0.447 -1.319 16.404) 16.463 4.553 ( -1.400 -5.777 10.649) 12.196 4.657 ( -0.030 -2.340 3.330) 4.070 4.722 ( 0.147 -0.821 -4.662) 4.736 4.888 ( -0.108 0.763 -4.052) 4.125 4.989 ( -0.311 -3.527 3.263) 4.815 5.087 ( -0.332 -4.026 -0.222) 4.046 5.181 ( 0.807 -3.168 -14.089) 14.464 5.276 ( 0.589 -11.799 -15.410) 19.417 5.924 ( -0.531 0.468 6.225) 6.265 6.049 ( 0.295 0.487 -6.111) 6.137 6.279 ( -0.144 2.212 5.158) 5.614 6.340 ( 0.189 1.308 -0.715) 1.503 6.427 ( -0.592 -4.102 11.038) 11.791 6.587 ( 0.367 -7.142 -4.835) 8.632 6.777 ( -0.215 -0.717 5.353) 5.405 6.906 ( 0.491 -1.568 -6.132) 6.349 6.947 ( -0.639 1.676 7.182) 7.403 7.174 ( 0.646 1.975 -13.174) 13.337 7.606 ( -0.026 4.434 2.069) 4.893 7.668 ( 0.374 4.200 -4.290) 6.015 8.577 ( -0.819 3.285 12.566) 13.014 8.803 ( 0.388 2.396 -10.373) 10.654 12.245 ( 1.605 4.373 4.690) 6.610 12.337 ( 0.250 2.029 -0.763) 2.182 12.792 ( -3.057 0.075 5.189) 6.023 12.827 ( 0.401 0.979 -1.632) 1.945 12.947 ( 0.408 -1.911 2.043) 2.827 13.100 ( 0.369 -6.323 -11.659) 13.268 13.619 ( -0.306 -4.611 4.425) 6.398 13.740 ( -0.141 -7.644 -6.323) 9.921 14.331 ( 0.158 -4.548 6.821) 8.200 14.410 ( 1.117 -3.249 -4.557) 5.707 14.632 ( -0.042 -9.224 10.368) 13.878 14.887 ( -0.345 -13.200 -9.484) 16.258 15.494 ( 0.653 0.949 1.796) 2.133 15.672 ( -8.766 -4.025 4.459) 10.627 16.074 ( 8.020 3.458 -5.302) 10.217 16.330 ( 4.666 -1.872 -1.964) 5.398 16.618 ( -2.832 -5.255 7.583) 9.651 16.932 ( -2.678 -3.690 -4.700) 6.548 18.206 ( -0.445 -1.086 10.042) 10.110 18.294 ( 0.966 0.505 -8.053) 8.126 18.796 ( -0.572 8.130 7.791) 11.275 19.012 ( 0.340 5.758 -10.551) 12.025 20.062 ( -0.491 -2.039 9.741) 9.964 20.228 ( 0.347 -2.841 -7.557) 8.081 ======================= Grid point 199 (103/114) ======================= q-point: ( 0.00 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.844 1.961 1.652) 2.700 1.163 ( 0.563 1.931 1.134) 2.309 1.637 ( -2.208 -1.260 10.817) 11.112 1.800 ( 0.643 0.095 -3.178) 3.243 1.919 ( -0.804 2.062 2.894) 3.643 2.033 ( 1.736 -1.073 -7.565) 7.835 2.060 ( -1.419 2.155 9.802) 10.136 2.219 ( -2.146 -2.181 -3.791) 4.872 2.334 ( -1.944 -3.973 0.298) 4.433 2.356 ( 4.755 -2.555 -1.337) 5.561 2.585 ( -0.743 -1.038 5.511) 5.657 2.710 ( 0.531 -1.260 -6.924) 7.058 2.932 ( -0.173 -1.395 3.633) 3.896 3.000 ( -0.042 -0.034 -2.969) 2.969 3.262 ( 1.705 3.128 6.010) 6.987 3.389 ( -1.172 1.059 -7.016) 7.191 3.583 ( -0.687 3.087 5.117) 6.015 3.709 ( 0.927 5.333 -7.526) 9.270 4.237 ( -1.298 -12.410 16.370) 20.583 4.446 ( -0.684 -1.917 13.808) 13.957 4.524 ( 1.256 -6.736 -10.259) 12.337 4.628 ( -0.080 -2.203 -2.399) 3.258 4.715 ( -0.721 5.144 9.610) 10.924 4.919 ( 0.130 3.065 -2.472) 3.940 4.958 ( -0.782 0.733 4.813) 4.931 5.014 ( 0.162 -3.547 -5.076) 6.194 5.121 ( 0.511 -0.072 -7.862) 7.879 5.140 ( 0.919 -2.211 -12.318) 12.549 5.927 ( -0.215 -0.779 5.992) 6.047 6.038 ( 0.127 -2.007 -5.151) 5.529 6.296 ( 0.002 -5.001 8.283) 9.675 6.341 ( -0.370 0.577 5.075) 5.121 6.363 ( -0.667 0.455 0.917) 1.222 6.424 ( 0.669 -7.454 -2.252) 7.815 6.751 ( 0.025 -1.643 2.184) 2.734 6.855 ( 0.321 -3.334 -7.870) 8.553 7.007 ( -0.440 3.846 7.428) 8.376 7.209 ( 0.403 1.194 -12.145) 12.210 7.674 ( -0.091 1.967 1.884) 2.725 7.722 ( 0.133 0.922 -2.962) 3.105 8.668 ( -0.386 5.276 11.076) 12.274 8.851 ( 0.323 2.168 -7.866) 8.165 12.342 ( 0.784 1.912 2.133) 2.970 12.377 ( 0.051 2.005 -1.462) 2.482 12.744 ( -1.102 -1.140 8.824) 8.965 12.871 ( 1.151 1.023 2.383) 2.837 12.924 ( 0.329 -1.426 -7.236) 7.383 12.960 ( -1.337 -3.568 -5.454) 6.653 13.559 ( 0.013 -1.444 1.377) 1.996 13.608 ( -0.065 -3.762 -2.910) 4.756 14.144 ( -0.926 -12.169 6.654) 13.900 14.257 ( 1.335 -13.195 -3.966) 13.843 14.543 ( 0.055 -1.310 4.159) 4.361 14.668 ( -0.173 -5.862 -7.820) 9.775 15.555 ( -0.202 2.750 4.260) 5.075 15.603 ( 1.643 2.299 -1.090) 3.029 16.166 ( -6.541 -0.969 6.170) 9.043 16.263 ( 4.134 0.178 -3.429) 5.374 16.598 ( 6.263 -6.951 7.696) 12.115 16.724 ( -6.068 -5.404 -5.344) 9.725 18.168 ( -1.627 -0.027 6.726) 6.920 18.313 ( 2.861 -2.487 -7.863) 8.729 18.971 ( -0.550 8.179 7.079) 10.831 19.125 ( -0.156 5.830 -8.178) 10.045 20.011 ( -0.324 -2.648 7.257) 7.732 20.153 ( 0.411 -4.370 -7.197) 8.430 ======================= Grid point 200 (104/114) ======================= q-point: ( 0.25 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -2.345 1.104 2.492) 3.596 1.165 ( -0.252 -0.093 -0.470) 0.541 1.665 ( 3.648 2.088 9.670) 10.544 1.824 ( 1.967 -0.113 1.209) 2.311 1.896 ( -1.965 3.604 2.473) 4.792 2.036 ( -1.590 3.656 5.692) 6.949 2.063 ( 1.623 -2.746 -4.971) 5.906 2.177 ( -1.701 -1.934 -1.968) 3.241 2.271 ( -3.453 -3.348 0.608) 4.847 2.402 ( -0.073 -3.622 -4.491) 5.770 2.599 ( 1.296 -1.771 5.365) 5.797 2.723 ( 1.098 -2.097 -6.148) 6.588 2.942 ( 0.972 -1.728 3.251) 3.808 3.011 ( 1.144 -0.879 -2.335) 2.745 3.258 ( -2.752 4.607 6.226) 8.219 3.346 ( -1.827 2.002 -7.906) 8.358 3.586 ( 0.582 2.338 4.924) 5.482 3.726 ( 1.032 4.811 -7.543) 9.006 4.233 ( -0.494 -11.680 16.577) 20.284 4.448 ( -0.331 -2.201 13.481) 13.664 4.542 ( 1.130 -6.485 -10.562) 12.445 4.627 ( 0.222 -4.569 -3.574) 5.805 4.707 ( -0.878 6.799 11.523) 13.408 4.922 ( 0.194 3.945 -2.262) 4.551 4.941 ( -0.889 0.015 4.566) 4.651 5.026 ( 1.170 -2.664 -4.550) 5.401 5.120 ( 0.255 -2.007 -10.242) 10.440 5.149 ( 0.821 -0.940 -10.049) 10.126 5.932 ( 0.103 -0.796 5.961) 6.015 6.038 ( 0.398 -1.855 -5.012) 5.359 6.301 ( -0.392 -6.337 8.920) 10.949 6.333 ( -0.534 1.234 3.807) 4.038 6.350 ( -0.783 -0.337 0.956) 1.281 6.429 ( 0.051 -6.359 -2.072) 6.689 6.753 ( -0.060 -1.547 1.997) 2.527 6.854 ( 0.253 -3.318 -7.664) 8.355 7.008 ( -0.184 3.723 7.449) 8.330 7.207 ( 0.561 1.316 -11.876) 11.962 7.674 ( -0.078 1.941 1.819) 2.661 7.721 ( 0.046 1.004 -2.888) 3.058 8.671 ( -0.397 5.174 10.956) 12.123 8.852 ( 0.407 2.181 -7.906) 8.212 12.347 ( -0.590 1.721 2.077) 2.761 12.377 ( 0.112 2.276 -1.695) 2.840 12.750 ( 0.947 -1.660 7.432) 7.674 12.867 ( -1.786 0.499 2.043) 2.759 12.930 ( 1.096 2.383 -4.312) 5.047 12.953 ( 1.052 -5.920 -6.345) 8.741 13.556 ( -0.329 -1.797 1.587) 2.420 13.604 ( -0.018 -3.882 -2.786) 4.778 14.136 ( -0.300 -11.595 6.215) 13.159 14.274 ( 0.440 -13.756 -4.062) 14.350 14.542 ( -0.533 -1.257 3.829) 4.065 14.659 ( 0.099 -5.186 -7.476) 9.099 15.547 ( -0.194 2.807 5.584) 6.253 15.661 ( 2.443 -2.755 -3.647) 5.183 16.067 ( -1.762 3.933 4.704) 6.380 16.282 ( -4.254 0.915 0.700) 4.407 16.659 ( -0.081 -5.653 2.349) 6.123 16.688 ( 3.416 -8.160 -0.871) 8.889 18.154 ( -0.132 0.592 5.950) 5.981 18.346 ( 0.645 -3.555 -8.767) 9.483 18.962 ( -0.743 8.333 8.153) 11.682 19.122 ( 0.499 6.099 -7.929) 10.016 20.012 ( -0.300 -2.685 7.148) 7.641 20.154 ( 0.366 -4.335 -7.268) 8.470 ======================= Grid point 201 (105/114) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -1.605 1.083 5.305) 5.647 1.166 ( 0.239 0.872 -1.512) 1.761 1.730 ( 0.866 -0.302 8.900) 8.947 1.848 ( -2.437 5.755 7.067) 9.434 1.878 ( 2.499 -0.571 0.644) 2.643 2.016 ( -0.362 1.928 -3.663) 4.155 2.078 ( 0.161 -1.212 0.318) 1.264 2.167 ( 1.353 0.601 -3.675) 3.962 2.246 ( 0.888 -3.430 3.960) 5.314 2.361 ( -2.777 -3.827 -6.684) 8.187 2.626 ( 0.576 -2.829 5.224) 5.969 2.728 ( -0.058 -2.904 -5.793) 6.480 2.959 ( -0.205 -2.522 3.669) 4.457 3.029 ( 0.762 -1.136 -3.173) 3.455 3.200 ( -2.667 5.402 6.660) 8.981 3.336 ( 1.715 3.352 -7.503) 8.395 3.602 ( 0.236 1.982 5.081) 5.459 3.727 ( -0.167 4.218 -7.606) 8.698 4.243 ( -0.193 -11.523 16.492) 20.119 4.452 ( -0.609 -2.536 13.891) 14.133 4.539 ( -0.347 -5.526 -11.399) 12.673 4.631 ( 0.447 -5.389 -3.969) 6.708 4.707 ( -0.270 7.228 12.728) 14.640 4.920 ( -0.057 2.996 0.862) 3.118 4.941 ( 0.461 -0.390 -0.308) 0.677 5.040 ( 0.439 -2.065 -3.633) 4.202 5.114 ( 0.154 -0.895 -10.607) 10.645 5.150 ( 0.150 -1.436 -9.444) 9.554 5.935 ( -0.318 -0.676 5.832) 5.879 6.042 ( 0.339 -1.909 -4.876) 5.248 6.295 ( -0.829 -5.405 7.349) 9.161 6.331 ( -0.253 1.029 5.669) 5.767 6.347 ( 0.758 -1.381 0.726) 1.734 6.423 ( -0.391 -6.393 -2.105) 6.742 6.752 ( -0.211 -1.516 1.989) 2.510 6.853 ( 0.376 -3.201 -7.490) 8.154 7.011 ( -0.223 3.612 7.193) 8.052 7.209 ( 0.682 1.234 -11.935) 12.018 7.675 ( -0.069 2.089 1.800) 2.759 7.720 ( 0.120 1.048 -2.828) 3.018 8.670 ( -0.606 5.174 10.925) 12.104 8.852 ( 0.387 2.157 -7.860) 8.160 12.330 ( -1.042 3.001 3.571) 4.779 12.379 ( 0.130 2.065 -1.493) 2.552 12.776 ( 0.525 -3.387 5.610) 6.574 12.839 ( -0.872 1.194 1.899) 2.407 12.936 ( -0.156 -0.176 -4.093) 4.100 12.978 ( 1.641 -3.141 -6.624) 7.512 13.551 ( -0.285 -1.916 1.946) 2.746 13.606 ( 0.451 -4.184 -3.111) 5.233 14.144 ( 0.314 -11.740 6.838) 13.590 14.263 ( -0.944 -12.385 -4.488) 13.207 14.534 ( -0.451 -1.144 4.344) 4.515 14.662 ( 0.861 -6.024 -7.993) 10.046 15.544 ( -1.200 1.164 8.434) 8.598 15.670 ( -0.428 -2.619 -4.304) 5.057 16.112 ( 2.291 2.100 4.590) 5.543 16.193 ( 0.279 4.973 -3.428) 6.047 16.610 ( -6.008 -7.351 10.001) 13.790 16.779 ( 5.126 -7.482 -7.033) 11.477 18.171 ( 1.015 -0.265 6.791) 6.872 18.318 ( -2.178 -2.457 -8.183) 8.818 18.963 ( -0.042 8.220 8.052) 11.507 19.128 ( 0.851 5.945 -8.522) 10.425 20.012 ( -0.324 -2.671 7.180) 7.668 20.154 ( 0.241 -4.329 -7.282) 8.475 ======================= Grid point 202 (106/114) ======================= q-point: (-0.25 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 2.166 2.726 4.305) 5.536 1.166 ( -0.214 1.725 0.628) 1.848 1.700 ( -4.082 -3.022 9.445) 10.724 1.808 ( -1.455 2.724 -0.627) 3.151 1.917 ( 0.936 0.150 3.937) 4.050 2.016 ( 0.723 0.931 -7.085) 7.183 2.074 ( -0.775 1.081 5.352) 5.515 2.228 ( 3.918 0.791 -4.951) 6.363 2.278 ( 1.222 -3.596 2.392) 4.488 2.329 ( 0.897 -3.825 -2.086) 4.448 2.615 ( -2.054 -2.324 4.905) 5.803 2.716 ( -0.437 -2.018 -6.286) 6.616 2.942 ( -1.243 -2.051 3.589) 4.317 3.019 ( -1.299 0.095 -3.125) 3.386 3.208 ( 2.550 3.573 6.177) 7.578 3.379 ( 2.584 2.519 -6.426) 7.370 3.597 ( -1.037 2.545 4.966) 5.675 3.713 ( -0.430 4.597 -7.425) 8.743 4.246 ( -0.983 -12.267 16.297) 20.422 4.449 ( -0.882 -2.237 14.350) 14.550 4.522 ( -0.082 -5.869 -11.141) 12.593 4.632 ( -0.012 -2.910 -2.806) 4.043 4.714 ( -0.146 5.577 10.751) 12.112 4.921 ( -0.022 2.689 -0.996) 2.868 4.953 ( 0.724 -0.840 0.693) 1.308 5.031 ( -1.006 -2.472 -3.243) 4.200 5.114 ( 0.772 1.080 -9.083) 9.179 5.142 ( 0.050 -2.647 -10.887) 11.204 5.930 ( -0.637 -0.663 5.855) 5.927 6.041 ( 0.041 -2.065 -5.017) 5.425 6.290 ( -0.205 -4.345 7.095) 8.322 6.336 ( 0.173 0.004 6.172) 6.175 6.366 ( 0.579 0.544 1.243) 1.475 6.416 ( 0.056 -7.962 -2.453) 8.331 6.750 ( -0.130 -1.612 2.176) 2.711 6.854 ( 0.436 -3.214 -7.685) 8.342 7.010 ( -0.472 3.731 7.162) 8.090 7.211 ( 0.527 1.112 -12.198) 12.260 7.675 ( -0.093 2.102 1.825) 2.785 7.721 ( 0.222 0.978 -2.863) 3.033 8.668 ( -0.598 5.278 11.042) 12.253 8.852 ( 0.303 2.143 -7.818) 8.112 12.325 ( 0.340 3.176 3.536) 4.765 12.378 ( -0.033 1.785 -1.151) 2.124 12.768 ( -1.656 -2.472 7.037) 7.640 12.844 ( 1.039 1.257 2.727) 3.177 12.928 ( -0.042 -2.423 -7.937) 8.299 12.986 ( -0.404 -2.285 -5.345) 5.827 13.553 ( 0.307 -1.542 1.559) 2.214 13.611 ( 0.169 -4.080 -3.067) 5.107 14.151 ( -0.304 -12.298 7.228) 14.268 14.246 ( -0.074 -11.864 -4.247) 12.602 14.536 ( 0.166 -1.155 4.584) 4.730 14.671 ( 0.641 -6.749 -8.360) 10.763 15.534 ( 0.219 3.045 5.455) 6.251 15.637 ( -2.935 -0.143 0.286) 2.952 16.136 ( 3.649 3.082 -1.680) 5.063 16.284 ( 2.048 -1.983 -0.084) 2.852 16.511 ( -1.807 -4.961 9.548) 10.911 16.813 ( -1.526 -7.452 -5.786) 9.557 18.185 ( -0.475 -0.874 7.545) 7.610 18.285 ( 0.123 -1.445 -7.319) 7.461 18.969 ( -0.024 8.238 6.872) 10.728 19.133 ( 0.306 5.614 -8.615) 10.287 20.011 ( -0.354 -2.634 7.285) 7.754 20.152 ( 0.289 -4.365 -7.207) 8.431 ======================= Grid point 203 (107/114) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -1.335 -0.092 0.790) 1.554 1.183 ( 0.634 0.262 0.181) 0.710 1.626 ( 1.390 1.005 5.455) 5.719 1.762 ( -1.185 -3.551 -7.704) 8.565 1.955 ( 0.972 1.616 4.064) 4.480 2.033 ( -0.228 -0.110 -3.434) 3.443 2.109 ( -0.203 1.542 3.729) 4.040 2.158 ( -1.430 -2.661 -0.288) 3.034 2.279 ( -0.562 -0.505 3.515) 3.596 2.337 ( 1.216 -0.223 -1.023) 1.605 2.592 ( 0.064 1.693 3.499) 3.888 2.685 ( 0.380 -1.443 -4.805) 5.031 2.901 ( -0.089 -0.962 4.054) 4.167 2.974 ( -0.508 -2.539 -3.191) 4.109 3.315 ( 1.808 2.211 2.934) 4.094 3.389 ( -0.955 -0.916 -4.598) 4.785 3.651 ( -0.859 3.790 7.465) 8.416 3.802 ( 0.991 2.045 -3.627) 4.280 4.031 ( -0.660 -5.006 6.609) 8.317 4.312 ( 0.391 -11.596 -16.893) 20.494 4.432 ( -0.311 0.496 9.894) 9.912 4.538 ( 0.187 -4.320 -1.450) 4.561 4.859 ( -0.298 4.803 4.891) 6.862 4.943 ( 1.155 -1.479 -3.507) 3.978 4.983 ( -0.640 2.627 0.705) 2.794 5.067 ( -0.671 8.307 7.689) 11.339 5.084 ( 0.010 -2.068 -7.502) 7.782 5.211 ( 0.439 5.373 -5.165) 7.465 5.858 ( -0.251 -5.337 3.491) 6.382 5.941 ( 0.222 -7.197 -4.435) 8.457 6.215 ( -0.399 -1.219 8.002) 8.104 6.290 ( -0.191 -3.811 0.577) 3.859 6.368 ( 0.190 0.877 4.401) 4.492 6.381 ( -0.096 0.154 2.835) 2.841 6.723 ( 0.179 -0.717 -1.811) 1.956 6.784 ( 0.259 -3.290 -7.343) 8.051 7.088 ( -0.189 3.912 2.470) 4.630 7.210 ( 0.404 -1.165 -9.172) 9.255 7.696 ( -0.155 0.437 1.177) 1.265 7.720 ( 0.083 -0.698 -1.249) 1.433 8.778 ( -0.287 4.975 7.016) 8.605 8.880 ( 0.137 0.360 -3.501) 3.522 12.377 ( 0.102 1.531 2.026) 2.541 12.406 ( 0.183 0.671 -0.861) 1.107 12.720 ( -0.664 -0.360 5.319) 5.372 12.821 ( 0.670 -4.862 -4.381) 6.579 12.910 ( 0.472 2.204 1.408) 2.658 12.966 ( -0.784 0.192 -3.263) 3.361 13.565 ( -0.004 2.132 1.208) 2.450 13.600 ( -0.020 3.385 -2.777) 4.379 13.882 ( -0.551 -12.092 4.543) 12.929 13.974 ( 0.605 -13.234 -4.530) 14.001 14.536 ( 0.058 0.292 0.838) 0.890 14.588 ( 0.308 -2.474 -4.391) 5.050 15.619 ( -0.382 3.071 4.691) 5.620 15.657 ( 0.361 1.996 0.705) 2.148 16.172 ( -2.914 2.056 7.997) 8.756 16.288 ( 2.508 1.604 -3.477) 4.577 16.463 ( 2.403 -5.194 8.063) 9.888 16.596 ( -2.950 -6.708 -5.170) 8.968 18.171 ( -0.552 0.521 2.586) 2.695 18.253 ( 1.308 -3.099 -5.658) 6.582 19.123 ( -0.389 6.370 5.174) 8.216 19.218 ( -0.061 2.658 -3.915) 4.732 19.968 ( -0.146 -1.095 2.923) 3.124 20.058 ( 0.349 -4.563 -5.902) 7.469 ======================= Grid point 204 (108/114) ======================= q-point: ( 0.25 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -1.072 0.782 1.677) 2.139 1.188 ( -0.177 1.336 0.358) 1.395 1.652 ( 0.740 -1.983 3.752) 4.308 1.760 ( 0.789 -5.682 -6.160) 8.418 1.960 ( 0.233 3.206 2.783) 4.252 2.049 ( 1.521 0.750 -3.682) 4.054 2.119 ( 0.687 1.987 6.745) 7.066 2.154 ( 0.863 -1.437 1.232) 2.080 2.236 ( -3.153 1.824 1.328) 3.878 2.344 ( -0.765 -1.952 -1.793) 2.759 2.593 ( -0.287 1.204 2.825) 3.084 2.682 ( -0.217 -1.915 -4.607) 4.994 2.901 ( -0.103 -1.644 3.794) 4.137 2.968 ( 0.112 -3.215 -2.567) 4.116 3.336 ( -0.351 2.828 2.651) 3.892 3.374 ( 0.119 0.713 -5.058) 5.109 3.639 ( -0.780 3.452 7.538) 8.327 3.807 ( -0.117 1.702 -4.883) 5.173 4.033 ( 0.109 -5.342 8.040) 9.653 4.315 ( 1.383 -12.246 -16.787) 20.825 4.434 ( -0.413 0.528 9.520) 9.544 4.535 ( -0.345 -3.959 -1.400) 4.214 4.864 ( 0.215 5.294 5.047) 7.318 4.959 ( -0.030 -0.178 -3.327) 3.332 4.975 ( 0.459 1.103 0.711) 1.390 5.065 ( -0.252 8.135 8.182) 11.541 5.081 ( 0.408 -1.780 -8.119) 8.322 5.215 ( 0.340 5.160 -5.032) 7.216 5.861 ( 0.169 -5.522 3.446) 6.511 5.942 ( 0.306 -7.225 -4.252) 8.389 6.212 ( -0.630 -1.309 7.861) 7.994 6.280 ( -0.731 -3.308 1.012) 3.535 6.368 ( -0.567 0.921 4.243) 4.378 6.382 ( -0.094 -0.163 2.270) 2.277 6.726 ( 0.193 -0.763 -1.878) 2.036 6.783 ( 0.322 -3.239 -7.223) 7.923 7.087 ( -0.131 3.877 2.524) 4.628 7.209 ( 0.411 -1.170 -9.122) 9.206 7.696 ( 0.051 0.477 1.180) 1.274 7.721 ( 0.090 -0.631 -1.137) 1.304 8.779 ( -0.245 4.944 7.001) 8.574 8.881 ( 0.223 0.376 -3.491) 3.518 12.379 ( -0.119 1.448 2.046) 2.509 12.407 ( 0.002 0.614 -0.777) 0.991 12.716 ( -0.064 -0.701 4.444) 4.500 12.819 ( -0.397 -4.887 -5.112) 7.083 12.922 ( 0.419 1.954 2.647) 3.317 12.965 ( 0.936 0.662 -3.110) 3.315 13.561 ( -0.513 2.117 1.427) 2.604 13.597 ( -0.021 3.645 -2.806) 4.601 13.880 ( -0.097 -12.083 4.528) 12.904 13.984 ( 0.654 -13.431 -4.496) 14.179 14.536 ( -0.084 0.404 0.538) 0.678 14.590 ( 0.187 -2.190 -4.353) 4.877 15.606 ( -1.118 2.838 5.032) 5.884 15.658 ( -0.252 1.345 0.017) 1.369 16.142 ( -0.593 3.654 8.108) 8.913 16.311 ( -0.498 1.051 -3.580) 3.765 16.496 ( -0.289 -7.018 9.505) 11.819 16.570 ( 1.589 -5.001 -5.872) 7.875 18.164 ( -0.217 0.789 2.238) 2.383 18.265 ( 0.287 -3.908 -6.204) 7.338 19.120 ( -0.378 6.597 5.712) 8.734 19.218 ( 0.373 2.741 -3.727) 4.641 19.968 ( -0.129 -1.097 2.845) 3.051 20.059 ( 0.310 -4.600 -5.979) 7.550 ======================= Grid point 205 (109/114) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.432 3.441 2.431) 4.235 1.184 ( 0.099 1.251 -1.092) 1.663 1.649 ( -1.829 -4.932 5.049) 7.291 1.772 ( 1.781 -8.405 -6.927) 11.036 1.968 ( -1.071 4.984 5.030) 7.162 2.064 ( 0.408 2.254 -5.002) 5.501 2.136 ( -0.270 4.772 6.191) 7.821 2.174 ( 1.565 -2.872 4.200) 5.323 2.209 ( 0.478 1.409 0.295) 1.517 2.312 ( -1.506 -0.345 -4.402) 4.665 2.591 ( -0.102 -0.213 3.227) 3.236 2.673 ( -0.076 -2.519 -4.472) 5.133 2.902 ( -0.338 -2.264 3.896) 4.519 2.976 ( 0.952 -3.854 -3.481) 5.280 3.308 ( -2.253 4.810 3.506) 6.364 3.387 ( 1.433 1.316 -4.705) 5.091 3.641 ( 0.213 2.514 7.292) 7.716 3.794 ( -0.573 0.997 -4.702) 4.840 4.042 ( -0.024 -5.286 7.684) 9.326 4.327 ( 1.179 -12.195 -17.495) 21.358 4.433 ( -0.554 0.460 9.375) 9.403 4.528 ( -0.129 -3.945 -0.503) 3.979 4.870 ( -0.183 5.493 5.549) 7.810 4.944 ( -0.890 0.798 0.376) 1.253 4.990 ( 0.612 1.317 -2.746) 3.107 5.070 ( 0.065 4.303 4.736) 6.400 5.086 ( 0.621 0.896 -5.381) 5.490 5.214 ( 0.029 5.231 -5.158) 7.346 5.866 ( -0.057 -5.561 3.341) 6.488 5.943 ( 0.171 -7.350 -4.142) 8.439 6.209 ( -0.316 -1.356 7.597) 7.723 6.274 ( 0.110 -3.370 0.988) 3.513 6.359 ( -0.589 1.098 4.590) 4.756 6.381 ( -0.129 -0.168 2.334) 2.343 6.726 ( -0.010 -0.700 -1.920) 2.044 6.784 ( 0.395 -3.206 -7.131) 7.829 7.088 ( -0.036 3.774 2.491) 4.522 7.210 ( 0.423 -1.250 -9.169) 9.263 7.698 ( 0.055 0.525 1.120) 1.238 7.721 ( 0.020 -0.549 -1.136) 1.262 8.780 ( -0.347 4.991 7.013) 8.615 8.882 ( 0.178 0.395 -3.479) 3.506 12.376 ( -0.309 1.643 2.547) 3.047 12.405 ( -0.121 0.511 -0.446) 0.689 12.723 ( 0.280 -1.260 3.411) 3.648 12.806 ( -0.240 -4.202 -4.749) 6.346 12.925 ( -0.450 1.789 2.209) 2.878 12.982 ( 0.840 0.209 -2.941) 3.066 13.555 ( -0.115 2.426 1.587) 2.902 13.597 ( 0.284 3.525 -3.025) 4.654 13.885 ( 0.110 -12.146 5.016) 13.141 13.985 ( -0.166 -13.400 -4.910) 14.272 14.535 ( -0.140 0.700 0.894) 1.144 14.588 ( 0.083 -2.060 -4.399) 4.858 15.598 ( -0.034 3.482 5.341) 6.376 15.650 ( -0.407 0.386 -0.086) 0.568 16.160 ( 1.451 2.624 7.953) 8.499 16.284 ( -1.014 2.348 -4.399) 5.088 16.467 ( -3.241 -4.849 9.716) 11.333 16.622 ( 3.078 -7.379 -5.853) 9.908 18.168 ( 0.316 0.297 2.578) 2.615 18.253 ( -0.787 -3.429 -5.952) 6.914 19.121 ( -0.084 6.700 5.841) 8.889 19.223 ( 0.400 2.682 -4.077) 4.896 19.968 ( -0.114 -1.121 2.874) 3.087 20.059 ( 0.188 -4.599 -6.023) 7.580 ======================= Grid point 206 (110/114) ======================= q-point: (-0.25 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.009 2.233 0.676) 2.542 1.191 ( 0.197 0.835 -0.290) 0.906 1.615 ( -1.203 -2.801 5.138) 5.974 1.795 ( -0.068 -6.356 -7.538) 9.861 1.936 ( -0.899 3.696 5.726) 6.874 2.055 ( -1.024 1.733 -4.002) 4.479 2.121 ( -1.199 2.664 3.284) 4.395 2.196 ( -2.046 -3.016 0.822) 3.736 2.238 ( 3.709 -0.725 3.172) 4.935 2.314 ( 1.496 1.679 -2.029) 3.029 2.590 ( -0.262 0.245 3.528) 3.546 2.677 ( 0.736 -2.004 -4.439) 4.926 2.898 ( -0.169 -1.447 3.685) 3.962 2.985 ( 0.030 -3.283 -3.686) 4.936 3.288 ( 0.223 4.127 3.800) 5.614 3.403 ( 0.235 -0.372 -4.242) 4.265 3.652 ( 0.093 3.011 7.218) 7.822 3.788 ( 0.453 1.343 -3.523) 3.798 4.041 ( -0.720 -4.967 6.347) 8.092 4.324 ( 0.148 -11.478 -17.534) 20.957 4.431 ( -0.460 0.418 9.745) 9.765 4.532 ( 0.465 -4.367 -0.590) 4.431 4.866 ( -0.677 4.997 5.374) 7.369 4.934 ( -0.041 -0.367 -0.998) 1.064 4.992 ( -0.158 2.623 -1.561) 3.057 5.072 ( -0.262 4.522 4.151) 6.144 5.089 ( 0.120 0.640 -4.656) 4.701 5.210 ( 0.124 5.455 -5.287) 7.598 5.863 ( -0.478 -5.370 3.378) 6.363 5.942 ( 0.075 -7.314 -4.322) 8.496 6.213 ( -0.064 -1.263 7.745) 7.847 6.284 ( 0.670 -3.849 0.579) 3.949 6.359 ( 0.155 1.044 4.734) 4.850 6.381 ( -0.147 0.116 2.881) 2.887 6.723 ( -0.025 -0.654 -1.854) 1.967 6.785 ( 0.330 -3.256 -7.248) 7.952 7.089 ( -0.092 3.810 2.435) 4.523 7.210 ( 0.417 -1.245 -9.216) 9.309 7.698 ( -0.157 0.495 1.082) 1.200 7.721 ( 0.021 -0.625 -1.213) 1.365 8.779 ( -0.388 5.023 7.027) 8.646 8.881 ( 0.092 0.379 -3.488) 3.510 12.375 ( -0.087 1.723 2.520) 3.054 12.404 ( 0.054 0.570 -0.525) 0.777 12.726 ( -0.333 -0.936 4.134) 4.251 12.808 ( 0.781 -4.299 -3.866) 5.834 12.912 ( -0.764 2.192 0.964) 2.514 12.983 ( -0.431 -0.268 -3.088) 3.130 13.559 ( 0.381 2.452 1.357) 2.828 13.600 ( 0.279 3.237 -2.975) 4.405 13.888 ( -0.324 -12.152 5.020) 13.152 13.975 ( -0.242 -13.178 -4.924) 14.070 14.534 ( 0.012 0.560 1.161) 1.289 14.587 ( 0.214 -2.341 -4.420) 5.006 15.610 ( 0.628 3.704 5.010) 6.262 15.649 ( 0.242 1.059 0.603) 1.243 16.193 ( 0.793 1.915 6.480) 6.803 16.271 ( -0.527 0.607 -2.403) 2.533 16.427 ( -0.456 -2.117 7.953) 8.242 16.643 ( -0.678 -8.614 -5.369) 10.173 18.175 ( -0.013 0.034 2.918) 2.919 18.240 ( 0.239 -2.619 -5.404) 6.010 19.124 ( -0.142 6.510 5.278) 8.382 19.223 ( 0.008 2.577 -4.232) 4.955 19.968 ( -0.135 -1.118 2.949) 3.157 20.057 ( 0.230 -4.563 -5.943) 7.496 ======================= Grid point 207 (111/114) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -0.393 -0.366 -0.144) 0.556 1.177 ( -0.393 0.366 -0.145) 0.556 1.680 ( 0.476 -3.835 -2.689) 4.708 1.680 ( 0.476 3.835 -2.689) 4.708 1.998 ( -0.014 -2.505 1.640) 2.994 1.998 ( -0.014 2.505 1.640) 2.994 2.127 ( -0.706 -0.883 -0.391) 1.197 2.127 ( -0.706 0.883 -0.391) 1.197 2.311 ( 0.139 -2.323 3.559) 4.253 2.311 ( 0.139 2.323 3.559) 4.253 2.643 ( 0.429 -2.645 -1.259) 2.961 2.643 ( 0.429 2.645 -1.259) 2.961 2.915 ( -0.360 -2.347 0.522) 2.431 2.915 ( -0.360 2.347 0.522) 2.431 3.358 ( 0.336 -1.918 -0.851) 2.125 3.358 ( 0.336 1.918 -0.851) 2.125 3.744 ( -0.009 -5.079 9.194) 10.504 3.744 ( -0.009 5.079 9.194) 10.504 4.095 ( 0.009 -8.611 -14.117) 16.536 4.095 ( 0.009 8.611 -14.117) 16.536 4.466 ( 0.024 -2.642 4.597) 5.302 4.466 ( 0.024 2.642 4.597) 5.302 4.915 ( 0.351 -1.533 -0.358) 1.612 4.915 ( 0.351 1.533 -0.358) 1.612 5.034 ( -0.313 -2.390 -2.658) 3.588 5.034 ( -0.313 2.390 -2.658) 3.588 5.239 ( -0.177 -4.685 3.406) 5.795 5.239 ( -0.177 4.685 3.406) 5.795 5.809 ( 0.055 -2.923 -1.965) 3.523 5.809 ( 0.055 2.923 -1.965) 3.523 6.232 ( -0.249 -2.095 4.885) 5.321 6.232 ( -0.249 2.095 4.885) 5.321 6.380 ( -0.023 -0.296 4.020) 4.031 6.380 ( -0.023 0.296 4.020) 4.031 6.731 ( 0.231 -1.565 -5.426) 5.652 6.731 ( 0.231 1.565 -5.426) 5.652 7.163 ( 0.159 -3.153 -3.822) 4.957 7.163 ( 0.159 3.153 -3.822) 4.957 7.705 ( -0.042 -0.611 0.066) 0.616 7.705 ( -0.042 0.611 0.066) 0.616 8.858 ( -0.096 -2.552 1.793) 3.120 8.858 ( -0.096 2.552 1.793) 3.120 12.403 ( 0.097 -0.860 0.919) 1.263 12.403 ( 0.097 0.860 0.919) 1.263 12.743 ( -0.081 -2.573 0.227) 2.584 12.743 ( -0.081 2.573 0.227) 2.584 12.950 ( -0.011 -1.524 -0.806) 1.724 12.950 ( -0.011 1.524 -0.806) 1.724 13.663 ( -0.336 -6.521 2.596) 7.026 13.663 ( -0.336 6.521 2.596) 7.026 13.743 ( 0.358 -7.919 -3.964) 8.863 13.743 ( 0.358 7.919 -3.964) 8.863 14.552 ( 0.154 -1.223 -1.608) 2.026 14.552 ( 0.154 1.223 -1.608) 2.026 15.666 ( -0.128 -1.153 3.071) 3.283 15.666 ( -0.129 1.153 3.071) 3.283 16.250 ( -0.194 -4.745 7.201) 8.626 16.250 ( -0.194 4.745 7.201) 8.626 16.466 ( -0.109 -5.055 -3.080) 5.920 16.466 ( -0.109 5.055 -3.080) 5.920 18.197 ( 0.285 -2.068 -2.013) 2.900 18.197 ( 0.285 2.068 -2.013) 2.900 19.220 ( -0.223 -2.568 1.604) 3.036 19.220 ( -0.223 2.568 1.604) 3.036 19.981 ( 0.145 -2.440 -2.501) 3.497 19.981 ( 0.145 2.440 -2.501) 3.497 ======================= Grid point 209 (112/114) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.927 -1.746 0.559) 2.055 1.183 ( 0.927 1.746 0.559) 2.055 1.654 ( -2.207 -3.196 -3.096) 4.967 1.654 ( -2.207 3.196 -3.096) 4.967 2.031 ( 2.574 -3.238 1.581) 4.429 2.031 ( 2.574 3.238 1.581) 4.429 2.129 ( 0.742 -1.539 0.758) 1.870 2.129 ( 0.742 1.539 0.758) 1.870 2.302 ( -1.141 -2.802 2.955) 4.229 2.302 ( -1.141 2.802 2.955) 4.229 2.637 ( -0.844 -2.544 -1.875) 3.271 2.637 ( -0.844 2.544 -1.875) 3.271 2.903 ( -0.664 -2.162 0.755) 2.384 2.903 ( -0.664 2.162 0.755) 2.384 3.373 ( 1.017 -0.864 -1.191) 1.788 3.373 ( 1.017 0.864 -1.191) 1.788 3.739 ( -1.256 -5.848 8.768) 10.614 3.739 ( -1.256 5.848 8.768) 10.614 4.090 ( 0.820 -8.659 -13.182) 15.793 4.090 ( 0.820 8.659 -13.182) 15.793 4.468 ( -0.273 -2.540 4.080) 4.813 4.468 ( -0.273 2.540 4.080) 4.813 4.930 ( 0.946 -1.986 -0.152) 2.205 4.930 ( 0.946 1.986 -0.152) 2.205 5.024 ( -0.301 -2.729 -2.508) 3.719 5.024 ( -0.301 2.729 -2.508) 3.719 5.240 ( -0.048 -4.813 3.273) 5.821 5.240 ( -0.048 4.813 3.273) 5.821 5.810 ( 0.194 -2.953 -1.884) 3.508 5.810 ( 0.194 2.953 -1.884) 3.508 6.227 ( -0.630 -1.990 4.851) 5.281 6.227 ( -0.630 1.990 4.851) 5.281 6.379 ( -0.354 -0.231 3.844) 3.867 6.379 ( -0.354 0.231 3.844) 3.867 6.732 ( 0.311 -1.466 -5.357) 5.563 6.732 ( 0.311 1.466 -5.357) 5.563 7.162 ( 0.107 -3.199 -3.830) 4.991 7.162 ( 0.107 3.199 -3.830) 4.991 7.706 ( 0.125 -0.660 0.124) 0.683 7.706 ( 0.125 0.660 0.124) 0.683 8.859 ( 0.002 -2.539 1.826) 3.127 8.859 ( 0.002 2.539 1.826) 3.127 12.404 ( -0.117 -0.834 0.973) 1.287 12.404 ( -0.117 0.834 0.973) 1.287 12.737 ( -0.376 -2.723 -0.440) 2.783 12.737 ( -0.376 2.723 -0.440) 2.783 12.957 ( 0.640 -1.202 -0.252) 1.385 12.957 ( 0.640 1.202 -0.252) 1.385 13.659 ( -0.251 -6.678 2.680) 7.200 13.659 ( -0.251 6.678 2.680) 7.200 13.747 ( 0.371 -8.370 -3.950) 9.263 13.747 ( 0.371 8.370 -3.950) 9.263 14.555 ( 0.245 -1.302 -1.724) 2.174 14.555 ( 0.245 1.302 -1.724) 2.174 15.659 ( -0.710 -1.722 3.018) 3.546 15.659 ( -0.710 1.722 3.018) 3.546 16.244 ( -0.975 -6.119 6.781) 9.186 16.244 ( -0.975 6.119 6.781) 9.186 16.475 ( 1.049 -3.734 -2.478) 4.603 16.475 ( 1.049 3.734 -2.478) 4.603 18.197 ( -0.075 -2.496 -2.315) 3.406 18.197 ( -0.075 2.496 -2.315) 3.406 19.219 ( 0.040 -2.651 1.887) 3.254 19.219 ( 0.040 2.651 1.887) 3.254 19.981 ( 0.117 -2.492 -2.581) 3.590 19.981 ( 0.117 2.492 -2.581) 3.590 ======================= Grid point 211 (113/114) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.419 -0.763 0.440) 0.975 1.200 ( 0.419 0.763 0.440) 0.975 1.623 ( -0.231 -3.828 -2.881) 4.797 1.623 ( -0.231 3.828 -2.881) 4.797 2.060 ( -0.307 -3.605 2.236) 4.254 2.060 ( -0.307 3.605 2.236) 4.254 2.149 ( 1.026 -1.989 -0.400) 2.273 2.149 ( 1.026 1.989 -0.400) 2.273 2.286 ( -0.588 -3.700 3.333) 5.014 2.286 ( -0.588 3.700 3.333) 5.014 2.620 ( -0.343 -2.529 -1.736) 3.086 2.620 ( -0.343 2.529 -1.736) 3.086 2.900 ( 0.328 -2.396 0.202) 2.427 2.900 ( 0.328 2.396 0.202) 2.427 3.381 ( -0.251 -1.995 -0.752) 2.147 3.381 ( -0.251 1.995 -0.752) 2.147 3.724 ( -0.765 -5.376 8.523) 10.106 3.724 ( -0.765 5.376 8.523) 10.106 4.100 ( 1.203 -8.793 -13.216) 15.919 4.100 ( 1.203 8.793 -13.216) 15.919 4.464 ( -0.429 -2.364 4.299) 4.925 4.464 ( -0.429 2.364 4.299) 4.925 4.936 ( -0.487 -1.668 0.770) 1.901 4.936 ( -0.487 1.668 0.770) 1.901 5.026 ( 0.696 -2.416 -3.329) 4.172 5.026 ( 0.696 2.416 -3.329) 4.172 5.242 ( -0.111 -4.619 3.085) 5.556 5.242 ( -0.111 4.619 3.085) 5.556 5.812 ( 0.119 -2.745 -1.866) 3.321 5.812 ( 0.119 2.745 -1.866) 3.321 6.222 ( -0.193 -1.871 4.738) 5.098 6.222 ( -0.193 1.871 4.738) 5.098 6.376 ( -0.334 -0.506 4.049) 4.095 6.376 ( -0.334 0.506 4.050) 4.095 6.733 ( 0.253 -1.484 -5.336) 5.544 6.733 ( 0.253 1.484 -5.336) 5.544 7.162 ( 0.187 -3.182 -3.847) 4.996 7.162 ( 0.187 3.182 -3.847) 4.996 7.708 ( 0.034 -0.565 0.089) 0.573 7.708 ( 0.034 0.565 0.089) 0.573 8.860 ( -0.067 -2.551 1.829) 3.140 8.860 ( -0.067 2.551 1.829) 3.140 12.402 ( -0.192 -0.782 1.281) 1.513 12.402 ( -0.192 0.782 1.281) 1.513 12.733 ( 0.107 -2.259 -1.119) 2.523 12.733 ( 0.107 2.259 -1.119) 2.523 12.965 ( 0.050 -1.613 0.107) 1.617 12.965 ( 0.050 1.613 0.107) 1.617 13.660 ( 0.088 -6.761 2.877) 7.348 13.660 ( 0.088 6.761 2.877) 7.348 13.747 ( 0.010 -8.231 -4.139) 9.213 13.747 ( 0.010 8.231 -4.139) 9.213 14.556 ( -0.007 -1.274 -1.648) 2.083 14.556 ( -0.007 1.274 -1.648) 2.083 15.652 ( -0.142 -1.123 2.980) 3.188 15.652 ( -0.142 1.123 2.980) 3.188 16.235 ( -0.402 -4.679 6.570) 8.076 16.235 ( -0.402 4.679 6.570) 8.076 16.488 ( 0.328 -5.178 -2.354) 5.698 16.488 ( 0.328 5.178 -2.354) 5.698 18.193 ( -0.096 -2.146 -2.157) 3.044 18.193 ( -0.096 2.146 -2.157) 3.044 19.223 ( 0.068 -2.753 1.831) 3.307 19.223 ( 0.068 2.753 1.831) 3.307 19.981 ( 0.086 -2.473 -2.607) 3.595 19.981 ( 0.086 2.473 -2.607) 3.595 ======================= Grid point 213 (114/114) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -0.977 -0.814 -0.309) 1.308 1.193 ( -0.977 0.814 -0.309) 1.308 1.646 ( 2.461 -5.755 -2.368) 6.693 1.646 ( 2.461 5.755 -2.368) 6.693 2.028 ( -2.599 -4.207 1.989) 5.330 2.028 ( -2.599 4.207 1.989) 5.330 2.149 ( -0.987 -2.031 -1.478) 2.699 2.149 ( -0.987 2.031 -1.478) 2.699 2.293 ( 0.962 -3.735 4.063) 5.602 2.293 ( 0.962 3.735 4.063) 5.602 2.627 ( 1.026 -2.722 -1.064) 3.098 2.627 ( 1.026 2.722 -1.064) 3.098 2.911 ( 0.632 -2.824 -0.056) 2.894 2.911 ( 0.632 2.824 -0.056) 2.894 3.366 ( -0.959 -3.076 -0.373) 3.244 3.366 ( -0.959 3.076 -0.373) 3.244 3.730 ( 0.432 -4.609 8.901) 10.033 3.730 ( 0.432 4.609 8.901) 10.033 4.105 ( 0.435 -8.766 -14.142) 16.645 4.105 ( 0.435 8.766 -14.142) 16.645 4.462 ( -0.126 -2.472 4.835) 5.432 4.462 ( -0.126 2.472 4.835) 5.432 4.921 ( -0.841 -1.260 0.371) 1.559 4.921 ( -0.841 1.260 0.371) 1.559 5.036 ( 0.452 -2.108 -3.288) 3.932 5.036 ( 0.452 2.108 -3.288) 3.932 5.241 ( -0.250 -4.484 3.224) 5.528 5.241 ( -0.250 4.484 3.224) 5.528 5.811 ( -0.023 -2.721 -1.949) 3.348 5.811 ( -0.023 2.721 -1.949) 3.348 6.228 ( 0.204 -1.979 4.771) 5.169 6.228 ( 0.204 1.979 4.771) 5.169 6.376 ( -0.017 -0.569 4.224) 4.262 6.376 ( -0.017 0.569 4.224) 4.262 6.732 ( 0.176 -1.581 -5.402) 5.632 6.732 ( 0.176 1.581 -5.402) 5.632 7.163 ( 0.239 -3.137 -3.840) 4.964 7.163 ( 0.239 3.137 -3.840) 4.964 7.707 ( -0.131 -0.537 0.030) 0.554 7.707 ( -0.131 0.537 0.030) 0.554 8.859 ( -0.166 -2.564 1.796) 3.135 8.859 ( -0.166 2.564 1.796) 3.135 12.401 ( 0.013 -0.807 1.225) 1.466 12.401 ( 0.013 0.807 1.225) 1.466 12.739 ( 0.432 -2.129 -0.507) 2.231 12.739 ( 0.432 2.129 -0.507) 2.231 12.958 ( -0.619 -1.961 -0.387) 2.093 12.958 ( -0.619 1.961 -0.387) 2.093 13.664 ( 0.006 -6.569 2.772) 7.130 13.664 ( 0.006 6.569 2.772) 7.130 13.743 ( -0.008 -7.741 -4.134) 8.776 13.743 ( -0.008 7.741 -4.134) 8.776 14.553 ( -0.098 -1.210 -1.534) 1.956 14.553 ( -0.098 1.210 -1.534) 1.956 15.659 ( 0.435 -0.728 3.032) 3.149 15.659 ( 0.435 0.728 3.032) 3.149 16.241 ( 0.333 -3.026 6.900) 7.541 16.241 ( 0.333 3.026 6.900) 7.541 16.480 ( -0.782 -6.451 -2.866) 7.102 16.480 ( -0.782 6.451 -2.866) 7.102 18.192 ( 0.263 -1.715 -1.856) 2.540 18.192 ( 0.263 1.715 -1.856) 2.540 19.223 ( -0.194 -2.683 1.549) 3.104 19.223 ( -0.194 2.683 1.549) 3.104 19.981 ( 0.114 -2.421 -2.527) 3.501 19.981 ( 0.114 2.421 -2.527) 3.501 =================== 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 3/23760 10.0 53.328 60.874 64.807 0.000 0.538 0.000 3/23760 20.0 11.299 21.158 24.019 0.000 -0.660 0.000 3/23760 30.0 5.570 13.196 15.811 0.000 -0.503 0.000 3/23760 40.0 3.621 9.811 12.086 0.000 -0.411 0.000 3/23760 50.0 2.670 7.900 9.900 0.000 -0.350 0.000 3/23760 60.0 2.113 6.653 8.440 0.000 -0.305 0.000 3/23760 70.0 1.749 5.765 7.383 0.000 -0.271 0.000 3/23760 80.0 1.495 5.097 6.575 0.000 -0.244 0.000 3/23760 90.0 1.307 4.573 5.934 0.000 -0.223 0.000 3/23760 100.0 1.165 4.150 5.409 0.000 -0.206 0.000 3/23760 110.0 1.053 3.801 4.972 0.000 -0.192 0.000 3/23760 120.0 0.963 3.508 4.600 0.000 -0.180 0.000 3/23760 130.0 0.888 3.258 4.281 0.000 -0.170 0.000 3/23760 140.0 0.826 3.042 4.003 0.000 -0.162 0.000 3/23760 150.0 0.773 2.854 3.759 0.000 -0.155 0.000 3/23760 160.0 0.728 2.688 3.543 0.000 -0.148 0.000 3/23760 170.0 0.688 2.541 3.350 0.000 -0.142 0.000 3/23760 180.0 0.653 2.409 3.177 0.000 -0.137 0.000 3/23760 190.0 0.621 2.291 3.021 0.000 -0.132 0.000 3/23760 200.0 0.593 2.184 2.880 0.000 -0.128 0.000 3/23760 210.0 0.567 2.086 2.751 0.000 -0.124 0.000 3/23760 220.0 0.544 1.997 2.633 0.000 -0.120 0.000 3/23760 230.0 0.522 1.915 2.525 0.000 -0.116 0.000 3/23760 240.0 0.503 1.840 2.425 0.000 -0.113 0.000 3/23760 250.0 0.484 1.771 2.333 0.000 -0.110 0.000 3/23760 260.0 0.468 1.706 2.248 0.000 -0.107 0.000 3/23760 270.0 0.452 1.647 2.168 0.000 -0.104 0.000 3/23760 280.0 0.437 1.591 2.094 0.000 -0.101 0.000 3/23760 290.0 0.423 1.539 2.025 0.000 -0.098 0.000 3/23760 300.0 0.410 1.490 1.960 0.000 -0.096 0.000 3/23760 310.0 0.398 1.444 1.900 0.000 -0.093 0.000 3/23760 320.0 0.387 1.401 1.843 0.000 -0.091 0.000 3/23760 330.0 0.376 1.360 1.789 0.000 -0.089 0.000 3/23760 340.0 0.366 1.322 1.738 0.000 -0.087 0.000 3/23760 350.0 0.356 1.286 1.690 0.000 -0.085 0.000 3/23760 360.0 0.347 1.251 1.645 0.000 -0.083 0.000 3/23760 370.0 0.338 1.219 1.602 0.000 -0.081 0.000 3/23760 380.0 0.330 1.188 1.561 0.000 -0.079 0.000 3/23760 390.0 0.322 1.159 1.522 0.000 -0.078 0.000 3/23760 400.0 0.314 1.131 1.485 0.000 -0.076 0.000 3/23760 410.0 0.307 1.104 1.450 0.000 -0.074 0.000 3/23760 420.0 0.300 1.079 1.416 0.000 -0.073 0.000 3/23760 430.0 0.294 1.054 1.384 0.000 -0.071 0.000 3/23760 440.0 0.287 1.031 1.353 0.000 -0.070 0.000 3/23760 450.0 0.281 1.009 1.324 0.000 -0.069 0.000 3/23760 460.0 0.275 0.988 1.296 0.000 -0.067 0.000 3/23760 470.0 0.270 0.967 1.269 0.000 -0.066 0.000 3/23760 480.0 0.265 0.948 1.243 0.000 -0.065 0.000 3/23760 490.0 0.259 0.929 1.218 0.000 -0.064 0.000 3/23760 500.0 0.254 0.911 1.195 0.000 -0.063 0.000 3/23760 510.0 0.250 0.893 1.172 0.000 -0.061 0.000 3/23760 520.0 0.245 0.876 1.149 0.000 -0.060 0.000 3/23760 530.0 0.241 0.860 1.128 0.000 -0.059 0.000 3/23760 540.0 0.236 0.845 1.108 0.000 -0.058 0.000 3/23760 550.0 0.232 0.830 1.088 0.000 -0.057 0.000 3/23760 560.0 0.228 0.815 1.069 0.000 -0.056 0.000 3/23760 570.0 0.224 0.801 1.050 0.000 -0.056 0.000 3/23760 580.0 0.221 0.788 1.033 0.000 -0.055 0.000 3/23760 590.0 0.217 0.775 1.015 0.000 -0.054 0.000 3/23760 600.0 0.213 0.762 0.999 0.000 -0.053 0.000 3/23760 610.0 0.210 0.750 0.983 0.000 -0.052 0.000 3/23760 620.0 0.207 0.738 0.967 0.000 -0.051 0.000 3/23760 630.0 0.204 0.726 0.952 0.000 -0.051 0.000 3/23760 640.0 0.201 0.715 0.937 0.000 -0.050 0.000 3/23760 650.0 0.198 0.704 0.923 0.000 -0.049 0.000 3/23760 660.0 0.195 0.694 0.909 0.000 -0.049 0.000 3/23760 670.0 0.192 0.684 0.896 0.000 -0.048 0.000 3/23760 680.0 0.189 0.674 0.883 0.000 -0.047 0.000 3/23760 690.0 0.186 0.664 0.870 0.000 -0.047 0.000 3/23760 700.0 0.184 0.655 0.858 0.000 -0.046 0.000 3/23760 710.0 0.181 0.646 0.846 0.000 -0.045 0.000 3/23760 720.0 0.179 0.637 0.834 0.000 -0.045 0.000 3/23760 730.0 0.176 0.628 0.823 0.000 -0.044 0.000 3/23760 740.0 0.174 0.620 0.812 0.000 -0.044 0.000 3/23760 750.0 0.172 0.612 0.802 0.000 -0.043 0.000 3/23760 760.0 0.170 0.604 0.791 0.000 -0.043 0.000 3/23760 770.0 0.167 0.596 0.781 0.000 -0.042 0.000 3/23760 780.0 0.165 0.589 0.771 0.000 -0.041 0.000 3/23760 790.0 0.163 0.581 0.761 0.000 -0.041 0.000 3/23760 800.0 0.161 0.574 0.752 0.000 -0.040 0.000 3/23760 810.0 0.159 0.567 0.743 0.000 -0.040 0.000 3/23760 820.0 0.157 0.560 0.734 0.000 -0.040 0.000 3/23760 830.0 0.156 0.554 0.725 0.000 -0.039 0.000 3/23760 840.0 0.154 0.547 0.717 0.000 -0.039 0.000 3/23760 850.0 0.152 0.541 0.708 0.000 -0.038 0.000 3/23760 860.0 0.150 0.535 0.700 0.000 -0.038 0.000 3/23760 870.0 0.149 0.528 0.692 0.000 -0.037 0.000 3/23760 880.0 0.147 0.523 0.684 0.000 -0.037 0.000 3/23760 890.0 0.145 0.517 0.677 0.000 -0.037 0.000 3/23760 900.0 0.144 0.511 0.669 0.000 -0.036 0.000 3/23760 910.0 0.142 0.505 0.662 0.000 -0.036 0.000 3/23760 920.0 0.141 0.500 0.655 0.000 -0.035 0.000 3/23760 930.0 0.139 0.495 0.648 0.000 -0.035 0.000 3/23760 940.0 0.138 0.489 0.641 0.000 -0.035 0.000 3/23760 950.0 0.136 0.484 0.634 0.000 -0.034 0.000 3/23760 960.0 0.135 0.479 0.628 0.000 -0.034 0.000 3/23760 970.0 0.133 0.475 0.621 0.000 -0.034 0.000 3/23760 980.0 0.132 0.470 0.615 0.000 -0.033 0.000 3/23760 990.0 0.131 0.465 0.609 0.000 -0.033 0.000 3/23760 1000.0 0.130 0.460 0.603 0.000 -0.033 0.000 3/23760 Thermal conductivity related properties were written into "kappa-m4109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:46:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|