----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:31:34]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.394690800050025 0.000000000000000 0.000000000000000 b 0.000000000000000 4.926280920000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): *1 Zr 0.74609983560282 0.51429378627852 0.99869039398877 91.224 2 Zr 0.25390016439718 0.01429378627852 0.50130960601123 91.224 3 Zr 0.25390016439718 0.48570621372148 0.00130960601123 91.224 4 Zr 0.74609983560282 0.98570621372148 0.49869039398877 91.224 *5 F 0.54541803891970 0.18564379252081 0.57307568774206 18.998 6 F 0.45458196108030 0.68564379252081 0.92692431225794 18.998 7 F 0.45458196108030 0.81435620747919 0.42692431225793 18.998 8 F 0.54541803891970 0.31435620747919 0.07307568774206 18.998 *9 F 0.89815777119367 0.36413671870492 0.17513400145598 18.998 10 F 0.10184222880633 0.86413671870492 0.32486599854402 18.998 11 F 0.10184222880633 0.63586328129508 0.82486599854402 18.998 12 F 0.89815777119367 0.13586328129508 0.67513400145598 18.998 *13 F 0.95649425300038 0.22638347283723 0.45661657987458 18.998 14 F 0.04350574699962 0.72638347283723 0.04338342012541 18.998 15 F 0.04350574699962 0.77361652716277 0.54338342012541 18.998 16 F 0.95649425300038 0.27361652716277 0.95661657987459 18.998 *17 F 0.60244230124804 0.22526742256163 0.34593490414859 18.998 18 F 0.39755769875196 0.72526742256163 0.15406509585142 18.998 19 F 0.39755769875196 0.77473257743837 0.65406509585141 18.998 20 F 0.60244230124804 0.27473257743837 0.84593490414859 18.998 *21 F 0.75255761723432 0.64113732045138 0.59996260267696 18.998 22 F 0.24744238276568 0.14113732045138 0.90003739732304 18.998 23 F 0.24744238276568 0.35886267954862 0.40003739732304 18.998 24 F 0.75255761723432 0.85886267954862 0.09996260267696 18.998 *25 F 0.74900441538556 0.75280323229670 0.34644490453432 18.998 26 F 0.25099558461444 0.25280323229670 0.15355509546568 18.998 27 F 0.25099558461444 0.24719676770330 0.65355509546568 18.998 28 F 0.74900441538556 0.74719676770330 0.84644490453432 18.998 *29 Li 0.58886136759372 0.50231396623507 0.69374853268769 6.941 30 Li 0.41113863240628 0.00231396623507 0.80625146731231 6.941 31 Li 0.41113863240628 0.49768603376493 0.30625146731231 6.941 32 Li 0.58886136759372 0.99768603376493 0.19374853268769 6.941 *33 Li 0.96275494024760 0.96837480485725 0.83899497975559 6.941 34 Li 0.03724505975240 0.46837480485725 0.66100502024441 6.941 35 Li 0.03724505975240 0.03162519514275 0.16100502024441 6.941 36 Li 0.96275494024760 0.53162519514275 0.33899497975559 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.394690800050025 0.000000000000000 0.000000000000000 b 0.000000000000000 4.926280920000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): *1 Zr 0.74609983560282 0.51429378627852 0.99869039398877 91.224 > 1 2 Zr 0.25390016439718 0.01429378627852 0.50130960601123 91.224 > 2 3 Zr 0.25390016439718 0.48570621372148 0.00130960601123 91.224 > 3 4 Zr 0.74609983560282 0.98570621372148 0.49869039398877 91.224 > 4 *5 F 0.54541803891970 0.18564379252081 0.57307568774206 18.998 > 5 6 F 0.45458196108030 0.68564379252081 0.92692431225794 18.998 > 6 7 F 0.45458196108030 0.81435620747919 0.42692431225793 18.998 > 7 8 F 0.54541803891970 0.31435620747919 0.07307568774206 18.998 > 8 *9 F 0.89815777119367 0.36413671870492 0.17513400145598 18.998 > 9 10 F 0.10184222880633 0.86413671870492 0.32486599854402 18.998 > 10 11 F 0.10184222880633 0.63586328129508 0.82486599854402 18.998 > 11 12 F 0.89815777119367 0.13586328129508 0.67513400145598 18.998 > 12 *13 F 0.95649425300038 0.22638347283723 0.45661657987458 18.998 > 13 14 F 0.04350574699962 0.72638347283723 0.04338342012541 18.998 > 14 15 F 0.04350574699962 0.77361652716277 0.54338342012541 18.998 > 15 16 F 0.95649425300038 0.27361652716277 0.95661657987459 18.998 > 16 *17 F 0.60244230124804 0.22526742256163 0.34593490414859 18.998 > 17 18 F 0.39755769875196 0.72526742256163 0.15406509585142 18.998 > 18 19 F 0.39755769875196 0.77473257743837 0.65406509585141 18.998 > 19 20 F 0.60244230124804 0.27473257743837 0.84593490414859 18.998 > 20 *21 F 0.75255761723432 0.64113732045138 0.59996260267696 18.998 > 21 22 F 0.24744238276568 0.14113732045138 0.90003739732304 18.998 > 22 23 F 0.24744238276568 0.35886267954862 0.40003739732304 18.998 > 23 24 F 0.75255761723432 0.85886267954862 0.09996260267696 18.998 > 24 *25 F 0.74900441538556 0.75280323229670 0.34644490453432 18.998 > 25 26 F 0.25099558461444 0.25280323229670 0.15355509546568 18.998 > 26 27 F 0.25099558461444 0.24719676770330 0.65355509546568 18.998 > 27 28 F 0.74900441538556 0.74719676770330 0.84644490453432 18.998 > 28 *29 Li 0.58886136759372 0.50231396623507 0.69374853268769 6.941 > 29 30 Li 0.41113863240628 0.00231396623507 0.80625146731231 6.941 > 30 31 Li 0.41113863240628 0.49768603376493 0.30625146731231 6.941 > 31 32 Li 0.58886136759372 0.99768603376493 0.19374853268769 6.941 > 32 *33 Li 0.96275494024760 0.96837480485725 0.83899497975559 6.941 > 33 34 Li 0.03724505975240 0.46837480485725 0.66100502024441 6.941 > 34 35 Li 0.03724505975240 0.03162519514275 0.16100502024441 6.941 > 35 36 Li 0.96275494024760 0.53162519514275 0.33899497975559 6.941 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.789381600100050 0.000000000000000 0.000000000000000 b 0.000000000000000 9.852561840000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): *1 Zr 0.37304991780141 0.25714689313926 0.99869039398877 91.224 > 1 2 Zr 0.87304991780141 0.25714689313926 0.99869039398877 91.224 > 1 3 Zr 0.37304991780141 0.75714689313926 0.99869039398877 91.224 > 1 4 Zr 0.87304991780141 0.75714689313926 0.99869039398877 91.224 > 1 5 Zr 0.12695008219859 0.00714689313926 0.50130960601123 91.224 > 2 6 Zr 0.62695008219859 0.00714689313926 0.50130960601123 91.224 > 2 7 Zr 0.12695008219859 0.50714689313926 0.50130960601123 91.224 > 2 8 Zr 0.62695008219859 0.50714689313926 0.50130960601123 91.224 > 2 9 Zr 0.12695008219859 0.24285310686074 0.00130960601123 91.224 > 3 10 Zr 0.62695008219859 0.24285310686074 0.00130960601123 91.224 > 3 11 Zr 0.12695008219859 0.74285310686074 0.00130960601123 91.224 > 3 12 Zr 0.62695008219859 0.74285310686074 0.00130960601123 91.224 > 3 13 Zr 0.37304991780141 0.49285310686074 0.49869039398877 91.224 > 4 14 Zr 0.87304991780141 0.49285310686074 0.49869039398877 91.224 > 4 15 Zr 0.37304991780141 0.99285310686074 0.49869039398877 91.224 > 4 16 Zr 0.87304991780141 0.99285310686074 0.49869039398877 91.224 > 4 *17 F 0.27270901945985 0.09282189626041 0.57307568774206 18.998 > 5 18 F 0.77270901945985 0.09282189626041 0.57307568774206 18.998 > 5 19 F 0.27270901945985 0.59282189626041 0.57307568774206 18.998 > 5 20 F 0.77270901945985 0.59282189626041 0.57307568774206 18.998 > 5 21 F 0.22729098054015 0.34282189626041 0.92692431225794 18.998 > 6 22 F 0.72729098054015 0.34282189626041 0.92692431225794 18.998 > 6 23 F 0.22729098054015 0.84282189626041 0.92692431225794 18.998 > 6 24 F 0.72729098054015 0.84282189626041 0.92692431225794 18.998 > 6 25 F 0.22729098054015 0.40717810373959 0.42692431225793 18.998 > 7 26 F 0.72729098054015 0.40717810373959 0.42692431225793 18.998 > 7 27 F 0.22729098054015 0.90717810373959 0.42692431225793 18.998 > 7 28 F 0.72729098054015 0.90717810373959 0.42692431225793 18.998 > 7 29 F 0.27270901945985 0.15717810373959 0.07307568774206 18.998 > 8 30 F 0.77270901945985 0.15717810373959 0.07307568774206 18.998 > 8 31 F 0.27270901945985 0.65717810373959 0.07307568774206 18.998 > 8 32 F 0.77270901945985 0.65717810373959 0.07307568774206 18.998 > 8 *33 F 0.44907888559683 0.18206835935246 0.17513400145598 18.998 > 9 34 F 0.94907888559683 0.18206835935246 0.17513400145598 18.998 > 9 35 F 0.44907888559683 0.68206835935246 0.17513400145598 18.998 > 9 36 F 0.94907888559683 0.68206835935246 0.17513400145598 18.998 > 9 37 F 0.05092111440317 0.43206835935246 0.32486599854402 18.998 > 10 38 F 0.55092111440317 0.43206835935246 0.32486599854402 18.998 > 10 39 F 0.05092111440317 0.93206835935246 0.32486599854402 18.998 > 10 40 F 0.55092111440317 0.93206835935246 0.32486599854402 18.998 > 10 41 F 0.05092111440317 0.31793164064754 0.82486599854402 18.998 > 11 42 F 0.55092111440317 0.31793164064754 0.82486599854402 18.998 > 11 43 F 0.05092111440317 0.81793164064754 0.82486599854402 18.998 > 11 44 F 0.55092111440317 0.81793164064754 0.82486599854402 18.998 > 11 45 F 0.44907888559683 0.06793164064754 0.67513400145598 18.998 > 12 46 F 0.94907888559683 0.06793164064754 0.67513400145598 18.998 > 12 47 F 0.44907888559683 0.56793164064754 0.67513400145598 18.998 > 12 48 F 0.94907888559683 0.56793164064754 0.67513400145598 18.998 > 12 *49 F 0.47824712650019 0.11319173641861 0.45661657987458 18.998 > 13 50 F 0.97824712650019 0.11319173641861 0.45661657987458 18.998 > 13 51 F 0.47824712650019 0.61319173641861 0.45661657987458 18.998 > 13 52 F 0.97824712650019 0.61319173641861 0.45661657987458 18.998 > 13 53 F 0.02175287349981 0.36319173641861 0.04338342012541 18.998 > 14 54 F 0.52175287349981 0.36319173641861 0.04338342012541 18.998 > 14 55 F 0.02175287349981 0.86319173641861 0.04338342012541 18.998 > 14 56 F 0.52175287349981 0.86319173641861 0.04338342012541 18.998 > 14 57 F 0.02175287349981 0.38680826358139 0.54338342012541 18.998 > 15 58 F 0.52175287349981 0.38680826358139 0.54338342012541 18.998 > 15 59 F 0.02175287349981 0.88680826358139 0.54338342012541 18.998 > 15 60 F 0.52175287349981 0.88680826358139 0.54338342012541 18.998 > 15 61 F 0.47824712650019 0.13680826358139 0.95661657987459 18.998 > 16 62 F 0.97824712650019 0.13680826358139 0.95661657987459 18.998 > 16 63 F 0.47824712650019 0.63680826358139 0.95661657987459 18.998 > 16 64 F 0.97824712650019 0.63680826358139 0.95661657987459 18.998 > 16 *65 F 0.30122115062402 0.11263371128081 0.34593490414859 18.998 > 17 66 F 0.80122115062402 0.11263371128081 0.34593490414859 18.998 > 17 67 F 0.30122115062402 0.61263371128082 0.34593490414859 18.998 > 17 68 F 0.80122115062402 0.61263371128082 0.34593490414859 18.998 > 17 69 F 0.19877884937598 0.36263371128082 0.15406509585142 18.998 > 18 70 F 0.69877884937598 0.36263371128082 0.15406509585142 18.998 > 18 71 F 0.19877884937598 0.86263371128082 0.15406509585142 18.998 > 18 72 F 0.69877884937598 0.86263371128082 0.15406509585142 18.998 > 18 73 F 0.19877884937598 0.38736628871918 0.65406509585141 18.998 > 19 74 F 0.69877884937598 0.38736628871918 0.65406509585141 18.998 > 19 75 F 0.19877884937598 0.88736628871918 0.65406509585141 18.998 > 19 76 F 0.69877884937598 0.88736628871918 0.65406509585141 18.998 > 19 77 F 0.30122115062402 0.13736628871918 0.84593490414859 18.998 > 20 78 F 0.80122115062402 0.13736628871918 0.84593490414859 18.998 > 20 79 F 0.30122115062402 0.63736628871918 0.84593490414859 18.998 > 20 80 F 0.80122115062402 0.63736628871918 0.84593490414859 18.998 > 20 *81 F 0.37627880861716 0.32056866022569 0.59996260267696 18.998 > 21 82 F 0.87627880861716 0.32056866022569 0.59996260267696 18.998 > 21 83 F 0.37627880861716 0.82056866022569 0.59996260267696 18.998 > 21 84 F 0.87627880861716 0.82056866022569 0.59996260267696 18.998 > 21 85 F 0.12372119138284 0.07056866022569 0.90003739732304 18.998 > 22 86 F 0.62372119138284 0.07056866022569 0.90003739732304 18.998 > 22 87 F 0.12372119138284 0.57056866022569 0.90003739732304 18.998 > 22 88 F 0.62372119138284 0.57056866022569 0.90003739732304 18.998 > 22 89 F 0.12372119138284 0.17943133977431 0.40003739732304 18.998 > 23 90 F 0.62372119138284 0.17943133977431 0.40003739732304 18.998 > 23 91 F 0.12372119138284 0.67943133977431 0.40003739732304 18.998 > 23 92 F 0.62372119138284 0.67943133977431 0.40003739732304 18.998 > 23 93 F 0.37627880861716 0.42943133977431 0.09996260267696 18.998 > 24 94 F 0.87627880861716 0.42943133977431 0.09996260267696 18.998 > 24 95 F 0.37627880861716 0.92943133977431 0.09996260267696 18.998 > 24 96 F 0.87627880861716 0.92943133977431 0.09996260267696 18.998 > 24 *97 F 0.37450220769278 0.37640161614835 0.34644490453432 18.998 > 25 98 F 0.87450220769278 0.37640161614835 0.34644490453432 18.998 > 25 99 F 0.37450220769278 0.87640161614835 0.34644490453432 18.998 > 25 100 F 0.87450220769278 0.87640161614835 0.34644490453432 18.998 > 25 101 F 0.12549779230722 0.12640161614835 0.15355509546568 18.998 > 26 102 F 0.62549779230722 0.12640161614835 0.15355509546568 18.998 > 26 103 F 0.12549779230722 0.62640161614835 0.15355509546568 18.998 > 26 104 F 0.62549779230722 0.62640161614835 0.15355509546568 18.998 > 26 105 F 0.12549779230722 0.12359838385165 0.65355509546568 18.998 > 27 106 F 0.62549779230722 0.12359838385165 0.65355509546568 18.998 > 27 107 F 0.12549779230722 0.62359838385165 0.65355509546568 18.998 > 27 108 F 0.62549779230722 0.62359838385165 0.65355509546568 18.998 > 27 109 F 0.37450220769278 0.37359838385165 0.84644490453432 18.998 > 28 110 F 0.87450220769278 0.37359838385165 0.84644490453432 18.998 > 28 111 F 0.37450220769278 0.87359838385165 0.84644490453432 18.998 > 28 112 F 0.87450220769278 0.87359838385165 0.84644490453432 18.998 > 28 *113 Li 0.29443068379686 0.25115698311754 0.69374853268769 6.941 > 29 114 Li 0.79443068379686 0.25115698311754 0.69374853268769 6.941 > 29 115 Li 0.29443068379686 0.75115698311754 0.69374853268769 6.941 > 29 116 Li 0.79443068379686 0.75115698311754 0.69374853268769 6.941 > 29 117 Li 0.20556931620314 0.00115698311754 0.80625146731231 6.941 > 30 118 Li 0.70556931620314 0.00115698311754 0.80625146731231 6.941 > 30 119 Li 0.20556931620314 0.50115698311754 0.80625146731231 6.941 > 30 120 Li 0.70556931620314 0.50115698311754 0.80625146731231 6.941 > 30 121 Li 0.20556931620314 0.24884301688246 0.30625146731231 6.941 > 31 122 Li 0.70556931620314 0.24884301688246 0.30625146731231 6.941 > 31 123 Li 0.20556931620314 0.74884301688246 0.30625146731231 6.941 > 31 124 Li 0.70556931620314 0.74884301688246 0.30625146731231 6.941 > 31 125 Li 0.29443068379686 0.49884301688246 0.19374853268769 6.941 > 32 126 Li 0.79443068379686 0.49884301688246 0.19374853268769 6.941 > 32 127 Li 0.29443068379686 0.99884301688246 0.19374853268769 6.941 > 32 128 Li 0.79443068379686 0.99884301688246 0.19374853268769 6.941 > 32 *129 Li 0.48137747012380 0.48418740242862 0.83899497975559 6.941 > 33 130 Li 0.98137747012380 0.48418740242862 0.83899497975559 6.941 > 33 131 Li 0.48137747012380 0.98418740242862 0.83899497975559 6.941 > 33 132 Li 0.98137747012380 0.98418740242862 0.83899497975559 6.941 > 33 133 Li 0.01862252987620 0.23418740242862 0.66100502024441 6.941 > 34 134 Li 0.51862252987620 0.23418740242862 0.66100502024441 6.941 > 34 135 Li 0.01862252987620 0.73418740242862 0.66100502024441 6.941 > 34 136 Li 0.51862252987620 0.73418740242862 0.66100502024441 6.941 > 34 137 Li 0.01862252987620 0.01581259757138 0.16100502024441 6.941 > 35 138 Li 0.51862252987620 0.01581259757138 0.16100502024441 6.941 > 35 139 Li 0.01862252987620 0.51581259757138 0.16100502024441 6.941 > 35 140 Li 0.51862252987620 0.51581259757138 0.16100502024441 6.941 > 35 141 Li 0.48137747012380 0.26581259757138 0.33899497975559 6.941 > 36 142 Li 0.98137747012380 0.26581259757138 0.33899497975559 6.941 > 36 143 Li 0.48137747012380 0.76581259757138 0.33899497975559 6.941 > 36 144 Li 0.98137747012380 0.76581259757138 0.33899497975559 6.941 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5256557 0.0000000 0.0082203 0.0000000 2.3868127 0.0000000 0.0082265 0.0000000 2.4411291 -------------------------- Born effective charges -------------------------- 1 Zr 4.9454770 -0.0045667 0.0085239 -0.0007503 4.1223929 0.0221761 -0.0161328 0.0981361 4.3013908 2 Zr 4.9454770 0.0045667 0.0085239 0.0007503 4.1223929 -0.0221761 -0.0161328 -0.0981361 4.3013908 3 Zr 4.9454770 -0.0045667 0.0085239 -0.0007503 4.1223929 0.0221761 -0.0161328 0.0981361 4.3013908 4 Zr 4.9454770 0.0045667 0.0085239 0.0007503 4.1223929 -0.0221761 -0.0161328 -0.0981361 4.3013908 5 F -1.8284075 0.1092730 0.0670577 0.0849440 -0.9129681 -0.2583351 0.1026098 -0.2049255 -0.7447793 6 F -1.8284075 -0.1092730 0.0670577 -0.0849440 -0.9129681 0.2583351 0.1026098 0.2049255 -0.7447793 7 F -1.8284075 0.1092730 0.0670577 0.0849440 -0.9129681 -0.2583351 0.1026098 -0.2049255 -0.7447793 8 F -1.8284075 -0.1092730 0.0670577 -0.0849440 -0.9129681 0.2583351 0.1026098 0.2049255 -0.7447793 9 F -0.8317146 0.1358982 -0.2018489 0.1450160 -0.9189288 0.3067386 -0.2249434 0.2320161 -1.6097269 10 F -0.8317146 -0.1358982 -0.2018489 -0.1450160 -0.9189288 -0.3067386 -0.2249434 -0.2320161 -1.6097269 11 F -0.8317146 0.1358982 -0.2018489 0.1450160 -0.9189288 0.3067386 -0.2249434 0.2320161 -1.6097269 12 F -0.8317146 -0.1358982 -0.2018489 -0.1450160 -0.9189288 -0.3067386 -0.2249434 -0.2320161 -1.6097269 13 F -1.7503599 -0.2204772 0.0722820 -0.1963677 -1.0361704 0.1363359 0.0548972 0.1163052 -0.6814474 14 F -1.7503599 0.2204772 0.0722820 0.1963677 -1.0361704 -0.1363359 0.0548972 -0.1163052 -0.6814474 15 F -1.7503599 -0.2204772 0.0722820 -0.1963677 -1.0361704 0.1363359 0.0548972 0.1163052 -0.6814474 16 F -1.7503599 0.2204772 0.0722820 0.1963677 -1.0361704 -0.1363359 0.0548972 -0.1163052 -0.6814474 17 F -0.8591300 0.1986912 -0.1878571 0.2473247 -1.0768416 0.4601168 -0.2236229 0.3779384 -1.3655035 18 F -0.8591300 -0.1986912 -0.1878571 -0.2473247 -1.0768416 -0.4601168 -0.2236229 -0.3779384 -1.3655035 19 F -0.8591300 0.1986912 -0.1878571 0.2473247 -1.0768416 0.4601168 -0.2236229 0.3779384 -1.3655035 20 F -0.8591300 -0.1986912 -0.1878571 -0.2473247 -1.0768416 -0.4601168 -0.2236229 -0.3779384 -1.3655035 21 F -0.8767789 -0.1127442 0.1053407 -0.1155913 -1.5004318 0.5070194 0.1188474 0.4851056 -1.0006144 22 F -0.8767789 0.1127442 0.1053407 0.1155913 -1.5004318 -0.5070194 0.1188474 -0.4851056 -1.0006144 23 F -0.8767789 -0.1127442 0.1053407 -0.1155913 -1.5004318 0.5070194 0.1188474 0.4851056 -1.0006144 24 F -0.8767789 0.1127442 0.1053407 0.1155913 -1.5004318 -0.5070194 0.1188474 -0.4851056 -1.0006144 25 F -0.8853565 0.1996473 0.1697240 0.1944164 -1.0366645 -0.4650107 0.1855695 -0.3887942 -1.3644966 26 F -0.8853565 -0.1996473 0.1697240 -0.1944164 -1.0366645 0.4650107 0.1855695 0.3887942 -1.3644966 27 F -0.8853565 0.1996473 0.1697240 0.1944164 -1.0366645 -0.4650107 0.1855695 -0.3887942 -1.3644966 28 F -0.8853565 -0.1996473 0.1697240 -0.1944164 -1.0366645 0.4650107 0.1855695 0.3887942 -1.3644966 29 Li 1.0217850 -0.0311409 -0.0373251 0.0382702 1.1401914 -0.0049110 0.0083965 -0.0012655 1.2998480 30 Li 1.0217850 0.0311409 -0.0373251 -0.0382702 1.1401914 0.0049110 0.0083965 0.0012655 1.2998480 31 Li 1.0217850 -0.0311409 -0.0373251 0.0382702 1.1401914 -0.0049110 0.0083965 -0.0012655 1.2998480 32 Li 1.0217850 0.0311409 -0.0373251 -0.0382702 1.1401914 0.0049110 0.0083965 0.0012655 1.2998480 33 Li 1.0644854 -0.0215986 0.0041027 0.0950616 1.2194208 0.0438637 -0.0056214 -0.1158630 1.1653295 34 Li 1.0644854 0.0215986 0.0041027 -0.0950616 1.2194208 -0.0438637 -0.0056214 0.1158630 1.1653295 35 Li 1.0644854 -0.0215986 0.0041027 0.0950616 1.2194208 0.0438637 -0.0056214 -0.1158630 1.1653295 36 Li 1.0644854 0.0215986 0.0041027 -0.0950616 1.2194208 -0.0438637 -0.0056214 0.1158630 1.1653295 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.998 Solver_block: 200 / 1120 - Time: 1.790 Solver_block: 300 / 1120 - Time: 1.785 Solver_block: 400 / 1120 - Time: 1.792 Solver_block: 500 / 1120 - Time: 1.788 Solver_block: 600 / 1120 - Time: 1.788 Solver_block: 700 / 1120 - Time: 1.787 Solver_block: 800 / 1120 - Time: 1.786 Solver_block: 900 / 1120 - Time: 1.784 Solver_block: 1000 / 1120 - Time: 1.792 Solver_block: 1100 / 1120 - Time: 1.788 Solver_block: 1120 / 1120 - Time: 0.522 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.899 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:32:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:32:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.394690800050025 0.000000000000000 0.000000000000000 b 0.000000000000000 4.926280920000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): 1 Zr 0.74609983560282 0.51429378627852 0.99869039398877 91.224 2 Zr 0.25390016439718 0.01429378627852 0.50130960601123 91.224 3 Zr 0.25390016439718 0.48570621372148 0.00130960601123 91.224 4 Zr 0.74609983560282 0.98570621372148 0.49869039398877 91.224 5 F 0.54541803891970 0.18564379252081 0.57307568774206 18.998 6 F 0.45458196108030 0.68564379252081 0.92692431225794 18.998 7 F 0.45458196108030 0.81435620747919 0.42692431225793 18.998 8 F 0.54541803891970 0.31435620747919 0.07307568774206 18.998 9 F 0.89815777119367 0.36413671870492 0.17513400145598 18.998 10 F 0.10184222880633 0.86413671870492 0.32486599854402 18.998 11 F 0.10184222880633 0.63586328129508 0.82486599854402 18.998 12 F 0.89815777119367 0.13586328129508 0.67513400145598 18.998 13 F 0.95649425300038 0.22638347283723 0.45661657987458 18.998 14 F 0.04350574699962 0.72638347283723 0.04338342012541 18.998 15 F 0.04350574699962 0.77361652716277 0.54338342012541 18.998 16 F 0.95649425300038 0.27361652716277 0.95661657987459 18.998 17 F 0.60244230124804 0.22526742256163 0.34593490414859 18.998 18 F 0.39755769875196 0.72526742256163 0.15406509585142 18.998 19 F 0.39755769875196 0.77473257743837 0.65406509585141 18.998 20 F 0.60244230124804 0.27473257743837 0.84593490414859 18.998 21 F 0.75255761723432 0.64113732045138 0.59996260267696 18.998 22 F 0.24744238276568 0.14113732045138 0.90003739732304 18.998 23 F 0.24744238276568 0.35886267954862 0.40003739732304 18.998 24 F 0.75255761723432 0.85886267954862 0.09996260267696 18.998 25 F 0.74900441538556 0.75280323229670 0.34644490453432 18.998 26 F 0.25099558461444 0.25280323229670 0.15355509546568 18.998 27 F 0.25099558461444 0.24719676770330 0.65355509546568 18.998 28 F 0.74900441538556 0.74719676770330 0.84644490453432 18.998 29 Li 0.58886136759372 0.50231396623507 0.69374853268769 6.941 30 Li 0.41113863240628 0.00231396623507 0.80625146731231 6.941 31 Li 0.41113863240628 0.49768603376493 0.30625146731231 6.941 32 Li 0.58886136759372 0.99768603376493 0.19374853268769 6.941 33 Li 0.96275494024760 0.96837480485725 0.83899497975559 6.941 34 Li 0.03724505975240 0.46837480485725 0.66100502024441 6.941 35 Li 0.03724505975240 0.03162519514275 0.16100502024441 6.941 36 Li 0.96275494024760 0.53162519514275 0.33899497975559 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.789381600100050 0.000000000000000 0.000000000000000 b 0.000000000000000 9.852561840000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): 1 Zr 0.37304991780141 0.25714689313926 0.99869039398877 91.224 > 1 2 Zr 0.87304991780141 0.25714689313926 0.99869039398877 91.224 > 1 3 Zr 0.37304991780141 0.75714689313926 0.99869039398877 91.224 > 1 4 Zr 0.87304991780141 0.75714689313926 0.99869039398877 91.224 > 1 5 Zr 0.12695008219859 0.00714689313926 0.50130960601123 91.224 > 5 6 Zr 0.62695008219859 0.00714689313926 0.50130960601123 91.224 > 5 7 Zr 0.12695008219859 0.50714689313926 0.50130960601123 91.224 > 5 8 Zr 0.62695008219859 0.50714689313926 0.50130960601123 91.224 > 5 9 Zr 0.12695008219859 0.24285310686074 0.00130960601123 91.224 > 9 10 Zr 0.62695008219859 0.24285310686074 0.00130960601123 91.224 > 9 11 Zr 0.12695008219859 0.74285310686074 0.00130960601123 91.224 > 9 12 Zr 0.62695008219859 0.74285310686074 0.00130960601123 91.224 > 9 13 Zr 0.37304991780141 0.49285310686074 0.49869039398877 91.224 > 13 14 Zr 0.87304991780141 0.49285310686074 0.49869039398877 91.224 > 13 15 Zr 0.37304991780141 0.99285310686074 0.49869039398877 91.224 > 13 16 Zr 0.87304991780141 0.99285310686074 0.49869039398877 91.224 > 13 17 F 0.27270901945985 0.09282189626041 0.57307568774206 18.998 > 17 18 F 0.77270901945985 0.09282189626041 0.57307568774206 18.998 > 17 19 F 0.27270901945985 0.59282189626041 0.57307568774206 18.998 > 17 20 F 0.77270901945985 0.59282189626041 0.57307568774206 18.998 > 17 21 F 0.22729098054015 0.34282189626041 0.92692431225794 18.998 > 21 22 F 0.72729098054015 0.34282189626041 0.92692431225794 18.998 > 21 23 F 0.22729098054015 0.84282189626041 0.92692431225794 18.998 > 21 24 F 0.72729098054015 0.84282189626041 0.92692431225794 18.998 > 21 25 F 0.22729098054015 0.40717810373959 0.42692431225793 18.998 > 25 26 F 0.72729098054015 0.40717810373959 0.42692431225793 18.998 > 25 27 F 0.22729098054015 0.90717810373959 0.42692431225793 18.998 > 25 28 F 0.72729098054015 0.90717810373959 0.42692431225793 18.998 > 25 29 F 0.27270901945985 0.15717810373959 0.07307568774206 18.998 > 29 30 F 0.77270901945985 0.15717810373959 0.07307568774206 18.998 > 29 31 F 0.27270901945985 0.65717810373959 0.07307568774206 18.998 > 29 32 F 0.77270901945985 0.65717810373959 0.07307568774206 18.998 > 29 33 F 0.44907888559683 0.18206835935246 0.17513400145598 18.998 > 33 34 F 0.94907888559683 0.18206835935246 0.17513400145598 18.998 > 33 35 F 0.44907888559683 0.68206835935246 0.17513400145598 18.998 > 33 36 F 0.94907888559683 0.68206835935246 0.17513400145598 18.998 > 33 37 F 0.05092111440317 0.43206835935246 0.32486599854402 18.998 > 37 38 F 0.55092111440317 0.43206835935246 0.32486599854402 18.998 > 37 39 F 0.05092111440317 0.93206835935246 0.32486599854402 18.998 > 37 40 F 0.55092111440317 0.93206835935246 0.32486599854402 18.998 > 37 41 F 0.05092111440317 0.31793164064754 0.82486599854402 18.998 > 41 42 F 0.55092111440317 0.31793164064754 0.82486599854402 18.998 > 41 43 F 0.05092111440317 0.81793164064754 0.82486599854402 18.998 > 41 44 F 0.55092111440317 0.81793164064754 0.82486599854402 18.998 > 41 45 F 0.44907888559683 0.06793164064754 0.67513400145598 18.998 > 45 46 F 0.94907888559683 0.06793164064754 0.67513400145598 18.998 > 45 47 F 0.44907888559683 0.56793164064754 0.67513400145598 18.998 > 45 48 F 0.94907888559683 0.56793164064754 0.67513400145598 18.998 > 45 49 F 0.47824712650019 0.11319173641861 0.45661657987458 18.998 > 49 50 F 0.97824712650019 0.11319173641861 0.45661657987458 18.998 > 49 51 F 0.47824712650019 0.61319173641861 0.45661657987458 18.998 > 49 52 F 0.97824712650019 0.61319173641861 0.45661657987458 18.998 > 49 53 F 0.02175287349981 0.36319173641861 0.04338342012541 18.998 > 53 54 F 0.52175287349981 0.36319173641861 0.04338342012541 18.998 > 53 55 F 0.02175287349981 0.86319173641861 0.04338342012541 18.998 > 53 56 F 0.52175287349981 0.86319173641861 0.04338342012541 18.998 > 53 57 F 0.02175287349981 0.38680826358139 0.54338342012541 18.998 > 57 58 F 0.52175287349981 0.38680826358139 0.54338342012541 18.998 > 57 59 F 0.02175287349981 0.88680826358139 0.54338342012541 18.998 > 57 60 F 0.52175287349981 0.88680826358139 0.54338342012541 18.998 > 57 61 F 0.47824712650019 0.13680826358139 0.95661657987459 18.998 > 61 62 F 0.97824712650019 0.13680826358139 0.95661657987459 18.998 > 61 63 F 0.47824712650019 0.63680826358139 0.95661657987459 18.998 > 61 64 F 0.97824712650019 0.63680826358139 0.95661657987459 18.998 > 61 65 F 0.30122115062402 0.11263371128081 0.34593490414859 18.998 > 65 66 F 0.80122115062402 0.11263371128081 0.34593490414859 18.998 > 65 67 F 0.30122115062402 0.61263371128082 0.34593490414859 18.998 > 65 68 F 0.80122115062402 0.61263371128082 0.34593490414859 18.998 > 65 69 F 0.19877884937598 0.36263371128082 0.15406509585142 18.998 > 69 70 F 0.69877884937598 0.36263371128082 0.15406509585142 18.998 > 69 71 F 0.19877884937598 0.86263371128082 0.15406509585142 18.998 > 69 72 F 0.69877884937598 0.86263371128082 0.15406509585142 18.998 > 69 73 F 0.19877884937598 0.38736628871918 0.65406509585141 18.998 > 73 74 F 0.69877884937598 0.38736628871918 0.65406509585141 18.998 > 73 75 F 0.19877884937598 0.88736628871918 0.65406509585141 18.998 > 73 76 F 0.69877884937598 0.88736628871918 0.65406509585141 18.998 > 73 77 F 0.30122115062402 0.13736628871918 0.84593490414859 18.998 > 77 78 F 0.80122115062402 0.13736628871918 0.84593490414859 18.998 > 77 79 F 0.30122115062402 0.63736628871918 0.84593490414859 18.998 > 77 80 F 0.80122115062402 0.63736628871918 0.84593490414859 18.998 > 77 81 F 0.37627880861716 0.32056866022569 0.59996260267696 18.998 > 81 82 F 0.87627880861716 0.32056866022569 0.59996260267696 18.998 > 81 83 F 0.37627880861716 0.82056866022569 0.59996260267696 18.998 > 81 84 F 0.87627880861716 0.82056866022569 0.59996260267696 18.998 > 81 85 F 0.12372119138284 0.07056866022569 0.90003739732304 18.998 > 85 86 F 0.62372119138284 0.07056866022569 0.90003739732304 18.998 > 85 87 F 0.12372119138284 0.57056866022569 0.90003739732304 18.998 > 85 88 F 0.62372119138284 0.57056866022569 0.90003739732304 18.998 > 85 89 F 0.12372119138284 0.17943133977431 0.40003739732304 18.998 > 89 90 F 0.62372119138284 0.17943133977431 0.40003739732304 18.998 > 89 91 F 0.12372119138284 0.67943133977431 0.40003739732304 18.998 > 89 92 F 0.62372119138284 0.67943133977431 0.40003739732304 18.998 > 89 93 F 0.37627880861716 0.42943133977431 0.09996260267696 18.998 > 93 94 F 0.87627880861716 0.42943133977431 0.09996260267696 18.998 > 93 95 F 0.37627880861716 0.92943133977431 0.09996260267696 18.998 > 93 96 F 0.87627880861716 0.92943133977431 0.09996260267696 18.998 > 93 97 F 0.37450220769278 0.37640161614835 0.34644490453432 18.998 > 97 98 F 0.87450220769278 0.37640161614835 0.34644490453432 18.998 > 97 99 F 0.37450220769278 0.87640161614835 0.34644490453432 18.998 > 97 100 F 0.87450220769278 0.87640161614835 0.34644490453432 18.998 > 97 101 F 0.12549779230722 0.12640161614835 0.15355509546568 18.998 > 101 102 F 0.62549779230722 0.12640161614835 0.15355509546568 18.998 > 101 103 F 0.12549779230722 0.62640161614835 0.15355509546568 18.998 > 101 104 F 0.62549779230722 0.62640161614835 0.15355509546568 18.998 > 101 105 F 0.12549779230722 0.12359838385165 0.65355509546568 18.998 > 105 106 F 0.62549779230722 0.12359838385165 0.65355509546568 18.998 > 105 107 F 0.12549779230722 0.62359838385165 0.65355509546568 18.998 > 105 108 F 0.62549779230722 0.62359838385165 0.65355509546568 18.998 > 105 109 F 0.37450220769278 0.37359838385165 0.84644490453432 18.998 > 109 110 F 0.87450220769278 0.37359838385165 0.84644490453432 18.998 > 109 111 F 0.37450220769278 0.87359838385165 0.84644490453432 18.998 > 109 112 F 0.87450220769278 0.87359838385165 0.84644490453432 18.998 > 109 113 Li 0.29443068379686 0.25115698311754 0.69374853268769 6.941 > 113 114 Li 0.79443068379686 0.25115698311754 0.69374853268769 6.941 > 113 115 Li 0.29443068379686 0.75115698311754 0.69374853268769 6.941 > 113 116 Li 0.79443068379686 0.75115698311754 0.69374853268769 6.941 > 113 117 Li 0.20556931620314 0.00115698311754 0.80625146731231 6.941 > 117 118 Li 0.70556931620314 0.00115698311754 0.80625146731231 6.941 > 117 119 Li 0.20556931620314 0.50115698311754 0.80625146731231 6.941 > 117 120 Li 0.70556931620314 0.50115698311754 0.80625146731231 6.941 > 117 121 Li 0.20556931620314 0.24884301688246 0.30625146731231 6.941 > 121 122 Li 0.70556931620314 0.24884301688246 0.30625146731231 6.941 > 121 123 Li 0.20556931620314 0.74884301688246 0.30625146731231 6.941 > 121 124 Li 0.70556931620314 0.74884301688246 0.30625146731231 6.941 > 121 125 Li 0.29443068379686 0.49884301688246 0.19374853268769 6.941 > 125 126 Li 0.79443068379686 0.49884301688246 0.19374853268769 6.941 > 125 127 Li 0.29443068379686 0.99884301688246 0.19374853268769 6.941 > 125 128 Li 0.79443068379686 0.99884301688246 0.19374853268769 6.941 > 125 129 Li 0.48137747012380 0.48418740242862 0.83899497975559 6.941 > 129 130 Li 0.98137747012380 0.48418740242862 0.83899497975559 6.941 > 129 131 Li 0.48137747012380 0.98418740242862 0.83899497975559 6.941 > 129 132 Li 0.98137747012380 0.98418740242862 0.83899497975559 6.941 > 129 133 Li 0.01862252987620 0.23418740242862 0.66100502024441 6.941 > 133 134 Li 0.51862252987620 0.23418740242862 0.66100502024441 6.941 > 133 135 Li 0.01862252987620 0.73418740242862 0.66100502024441 6.941 > 133 136 Li 0.51862252987620 0.73418740242862 0.66100502024441 6.941 > 133 137 Li 0.01862252987620 0.01581259757138 0.16100502024441 6.941 > 137 138 Li 0.51862252987620 0.01581259757138 0.16100502024441 6.941 > 137 139 Li 0.01862252987620 0.51581259757138 0.16100502024441 6.941 > 137 140 Li 0.51862252987620 0.51581259757138 0.16100502024441 6.941 > 137 141 Li 0.48137747012380 0.26581259757138 0.33899497975559 6.941 > 141 142 Li 0.98137747012380 0.26581259757138 0.33899497975559 6.941 > 141 143 Li 0.48137747012380 0.76581259757138 0.33899497975559 6.941 > 141 144 Li 0.98137747012380 0.76581259757138 0.33899497975559 6.941 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5256557 0.0000000 0.0082203 0.0000000 2.3868127 0.0000000 0.0082265 0.0000000 2.4411291 -------------------------- Born effective charges -------------------------- 1 Zr 4.9454770 -0.0045667 0.0085239 -0.0007503 4.1223929 0.0221761 -0.0161328 0.0981361 4.3013908 2 Zr 4.9454770 0.0045667 0.0085239 0.0007503 4.1223929 -0.0221761 -0.0161328 -0.0981361 4.3013908 3 Zr 4.9454770 -0.0045667 0.0085239 -0.0007503 4.1223929 0.0221761 -0.0161328 0.0981361 4.3013908 4 Zr 4.9454770 0.0045667 0.0085239 0.0007503 4.1223929 -0.0221761 -0.0161328 -0.0981361 4.3013908 5 F -1.8284075 0.1092730 0.0670577 0.0849440 -0.9129681 -0.2583351 0.1026098 -0.2049255 -0.7447793 6 F -1.8284075 -0.1092730 0.0670577 -0.0849440 -0.9129681 0.2583351 0.1026098 0.2049255 -0.7447793 7 F -1.8284075 0.1092730 0.0670577 0.0849440 -0.9129681 -0.2583351 0.1026098 -0.2049255 -0.7447793 8 F -1.8284075 -0.1092730 0.0670577 -0.0849440 -0.9129681 0.2583351 0.1026098 0.2049255 -0.7447793 9 F -0.8317146 0.1358982 -0.2018489 0.1450160 -0.9189288 0.3067386 -0.2249434 0.2320161 -1.6097269 10 F -0.8317146 -0.1358982 -0.2018489 -0.1450160 -0.9189288 -0.3067386 -0.2249434 -0.2320161 -1.6097269 11 F -0.8317146 0.1358982 -0.2018489 0.1450160 -0.9189288 0.3067386 -0.2249434 0.2320161 -1.6097269 12 F -0.8317146 -0.1358982 -0.2018489 -0.1450160 -0.9189288 -0.3067386 -0.2249434 -0.2320161 -1.6097269 13 F -1.7503599 -0.2204772 0.0722820 -0.1963677 -1.0361704 0.1363359 0.0548972 0.1163052 -0.6814474 14 F -1.7503599 0.2204772 0.0722820 0.1963677 -1.0361704 -0.1363359 0.0548972 -0.1163052 -0.6814474 15 F -1.7503599 -0.2204772 0.0722820 -0.1963677 -1.0361704 0.1363359 0.0548972 0.1163052 -0.6814474 16 F -1.7503599 0.2204772 0.0722820 0.1963677 -1.0361704 -0.1363359 0.0548972 -0.1163052 -0.6814474 17 F -0.8591300 0.1986912 -0.1878571 0.2473247 -1.0768416 0.4601168 -0.2236229 0.3779384 -1.3655035 18 F -0.8591300 -0.1986912 -0.1878571 -0.2473247 -1.0768416 -0.4601168 -0.2236229 -0.3779384 -1.3655035 19 F -0.8591300 0.1986912 -0.1878571 0.2473247 -1.0768416 0.4601168 -0.2236229 0.3779384 -1.3655035 20 F -0.8591300 -0.1986912 -0.1878571 -0.2473247 -1.0768416 -0.4601168 -0.2236229 -0.3779384 -1.3655035 21 F -0.8767789 -0.1127442 0.1053407 -0.1155913 -1.5004318 0.5070194 0.1188474 0.4851056 -1.0006144 22 F -0.8767789 0.1127442 0.1053407 0.1155913 -1.5004318 -0.5070194 0.1188474 -0.4851056 -1.0006144 23 F -0.8767789 -0.1127442 0.1053407 -0.1155913 -1.5004318 0.5070194 0.1188474 0.4851056 -1.0006144 24 F -0.8767789 0.1127442 0.1053407 0.1155913 -1.5004318 -0.5070194 0.1188474 -0.4851056 -1.0006144 25 F -0.8853565 0.1996473 0.1697240 0.1944164 -1.0366645 -0.4650107 0.1855695 -0.3887942 -1.3644966 26 F -0.8853565 -0.1996473 0.1697240 -0.1944164 -1.0366645 0.4650107 0.1855695 0.3887942 -1.3644966 27 F -0.8853565 0.1996473 0.1697240 0.1944164 -1.0366645 -0.4650107 0.1855695 -0.3887942 -1.3644966 28 F -0.8853565 -0.1996473 0.1697240 -0.1944164 -1.0366645 0.4650107 0.1855695 0.3887942 -1.3644966 29 Li 1.0217850 -0.0311409 -0.0373251 0.0382702 1.1401914 -0.0049110 0.0083965 -0.0012655 1.2998480 30 Li 1.0217850 0.0311409 -0.0373251 -0.0382702 1.1401914 0.0049110 0.0083965 0.0012655 1.2998480 31 Li 1.0217850 -0.0311409 -0.0373251 0.0382702 1.1401914 -0.0049110 0.0083965 -0.0012655 1.2998480 32 Li 1.0217850 0.0311409 -0.0373251 -0.0382702 1.1401914 0.0049110 0.0083965 0.0012655 1.2998480 33 Li 1.0644854 -0.0215986 0.0041027 0.0950616 1.2194208 0.0438637 -0.0056214 -0.1158630 1.1653295 34 Li 1.0644854 0.0215986 0.0041027 -0.0950616 1.2194208 -0.0438637 -0.0056214 0.1158630 1.1653295 35 Li 1.0644854 -0.0215986 0.0041027 0.0950616 1.2194208 0.0438637 -0.0056214 -0.1158630 1.1653295 36 Li 1.0644854 0.0215986 0.0041027 -0.0950616 1.2194208 -0.0438637 -0.0056214 0.1158630 1.1653295 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 65, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 129, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:33:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:33:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.394690800050025 0.000000000000000 0.000000000000000 b 0.000000000000000 4.926280920000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): 1 Zr 0.74609983560282 0.51429378627852 0.99869039398877 91.224 2 Zr 0.25390016439718 0.01429378627852 0.50130960601123 91.224 3 Zr 0.25390016439718 0.48570621372148 0.00130960601123 91.224 4 Zr 0.74609983560282 0.98570621372148 0.49869039398877 91.224 5 F 0.54541803891970 0.18564379252081 0.57307568774206 18.998 6 F 0.45458196108030 0.68564379252081 0.92692431225794 18.998 7 F 0.45458196108030 0.81435620747919 0.42692431225793 18.998 8 F 0.54541803891970 0.31435620747919 0.07307568774206 18.998 9 F 0.89815777119367 0.36413671870492 0.17513400145598 18.998 10 F 0.10184222880633 0.86413671870492 0.32486599854402 18.998 11 F 0.10184222880633 0.63586328129508 0.82486599854402 18.998 12 F 0.89815777119367 0.13586328129508 0.67513400145598 18.998 13 F 0.95649425300038 0.22638347283723 0.45661657987458 18.998 14 F 0.04350574699962 0.72638347283723 0.04338342012541 18.998 15 F 0.04350574699962 0.77361652716277 0.54338342012541 18.998 16 F 0.95649425300038 0.27361652716277 0.95661657987459 18.998 17 F 0.60244230124804 0.22526742256163 0.34593490414859 18.998 18 F 0.39755769875196 0.72526742256163 0.15406509585142 18.998 19 F 0.39755769875196 0.77473257743837 0.65406509585141 18.998 20 F 0.60244230124804 0.27473257743837 0.84593490414859 18.998 21 F 0.75255761723432 0.64113732045138 0.59996260267696 18.998 22 F 0.24744238276568 0.14113732045138 0.90003739732304 18.998 23 F 0.24744238276568 0.35886267954862 0.40003739732304 18.998 24 F 0.75255761723432 0.85886267954862 0.09996260267696 18.998 25 F 0.74900441538556 0.75280323229670 0.34644490453432 18.998 26 F 0.25099558461444 0.25280323229670 0.15355509546568 18.998 27 F 0.25099558461444 0.24719676770330 0.65355509546568 18.998 28 F 0.74900441538556 0.74719676770330 0.84644490453432 18.998 29 Li 0.58886136759372 0.50231396623507 0.69374853268769 6.941 30 Li 0.41113863240628 0.00231396623507 0.80625146731231 6.941 31 Li 0.41113863240628 0.49768603376493 0.30625146731231 6.941 32 Li 0.58886136759372 0.99768603376493 0.19374853268769 6.941 33 Li 0.96275494024760 0.96837480485725 0.83899497975559 6.941 34 Li 0.03724505975240 0.46837480485725 0.66100502024441 6.941 35 Li 0.03724505975240 0.03162519514275 0.16100502024441 6.941 36 Li 0.96275494024760 0.53162519514275 0.33899497975559 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.789381600100050 0.000000000000000 0.000000000000000 b 0.000000000000000 9.852561840000000 0.000000000000000 c -3.216662812975587 0.000000000000000 10.433323171968746 Atomic positions (fractional): 1 Zr 0.37304991780141 0.25714689313926 0.99869039398877 91.224 > 1 2 Zr 0.87304991780141 0.25714689313926 0.99869039398877 91.224 > 1 3 Zr 0.37304991780141 0.75714689313926 0.99869039398877 91.224 > 1 4 Zr 0.87304991780141 0.75714689313926 0.99869039398877 91.224 > 1 5 Zr 0.12695008219859 0.00714689313926 0.50130960601123 91.224 > 5 6 Zr 0.62695008219859 0.00714689313926 0.50130960601123 91.224 > 5 7 Zr 0.12695008219859 0.50714689313926 0.50130960601123 91.224 > 5 8 Zr 0.62695008219859 0.50714689313926 0.50130960601123 91.224 > 5 9 Zr 0.12695008219859 0.24285310686074 0.00130960601123 91.224 > 9 10 Zr 0.62695008219859 0.24285310686074 0.00130960601123 91.224 > 9 11 Zr 0.12695008219859 0.74285310686074 0.00130960601123 91.224 > 9 12 Zr 0.62695008219859 0.74285310686074 0.00130960601123 91.224 > 9 13 Zr 0.37304991780141 0.49285310686074 0.49869039398877 91.224 > 13 14 Zr 0.87304991780141 0.49285310686074 0.49869039398877 91.224 > 13 15 Zr 0.37304991780141 0.99285310686074 0.49869039398877 91.224 > 13 16 Zr 0.87304991780141 0.99285310686074 0.49869039398877 91.224 > 13 17 F 0.27270901945985 0.09282189626041 0.57307568774206 18.998 > 17 18 F 0.77270901945985 0.09282189626041 0.57307568774206 18.998 > 17 19 F 0.27270901945985 0.59282189626041 0.57307568774206 18.998 > 17 20 F 0.77270901945985 0.59282189626041 0.57307568774206 18.998 > 17 21 F 0.22729098054015 0.34282189626041 0.92692431225794 18.998 > 21 22 F 0.72729098054015 0.34282189626041 0.92692431225794 18.998 > 21 23 F 0.22729098054015 0.84282189626041 0.92692431225794 18.998 > 21 24 F 0.72729098054015 0.84282189626041 0.92692431225794 18.998 > 21 25 F 0.22729098054015 0.40717810373959 0.42692431225793 18.998 > 25 26 F 0.72729098054015 0.40717810373959 0.42692431225793 18.998 > 25 27 F 0.22729098054015 0.90717810373959 0.42692431225793 18.998 > 25 28 F 0.72729098054015 0.90717810373959 0.42692431225793 18.998 > 25 29 F 0.27270901945985 0.15717810373959 0.07307568774206 18.998 > 29 30 F 0.77270901945985 0.15717810373959 0.07307568774206 18.998 > 29 31 F 0.27270901945985 0.65717810373959 0.07307568774206 18.998 > 29 32 F 0.77270901945985 0.65717810373959 0.07307568774206 18.998 > 29 33 F 0.44907888559683 0.18206835935246 0.17513400145598 18.998 > 33 34 F 0.94907888559683 0.18206835935246 0.17513400145598 18.998 > 33 35 F 0.44907888559683 0.68206835935246 0.17513400145598 18.998 > 33 36 F 0.94907888559683 0.68206835935246 0.17513400145598 18.998 > 33 37 F 0.05092111440317 0.43206835935246 0.32486599854402 18.998 > 37 38 F 0.55092111440317 0.43206835935246 0.32486599854402 18.998 > 37 39 F 0.05092111440317 0.93206835935246 0.32486599854402 18.998 > 37 40 F 0.55092111440317 0.93206835935246 0.32486599854402 18.998 > 37 41 F 0.05092111440317 0.31793164064754 0.82486599854402 18.998 > 41 42 F 0.55092111440317 0.31793164064754 0.82486599854402 18.998 > 41 43 F 0.05092111440317 0.81793164064754 0.82486599854402 18.998 > 41 44 F 0.55092111440317 0.81793164064754 0.82486599854402 18.998 > 41 45 F 0.44907888559683 0.06793164064754 0.67513400145598 18.998 > 45 46 F 0.94907888559683 0.06793164064754 0.67513400145598 18.998 > 45 47 F 0.44907888559683 0.56793164064754 0.67513400145598 18.998 > 45 48 F 0.94907888559683 0.56793164064754 0.67513400145598 18.998 > 45 49 F 0.47824712650019 0.11319173641861 0.45661657987458 18.998 > 49 50 F 0.97824712650019 0.11319173641861 0.45661657987458 18.998 > 49 51 F 0.47824712650019 0.61319173641861 0.45661657987458 18.998 > 49 52 F 0.97824712650019 0.61319173641861 0.45661657987458 18.998 > 49 53 F 0.02175287349981 0.36319173641861 0.04338342012541 18.998 > 53 54 F 0.52175287349981 0.36319173641861 0.04338342012541 18.998 > 53 55 F 0.02175287349981 0.86319173641861 0.04338342012541 18.998 > 53 56 F 0.52175287349981 0.86319173641861 0.04338342012541 18.998 > 53 57 F 0.02175287349981 0.38680826358139 0.54338342012541 18.998 > 57 58 F 0.52175287349981 0.38680826358139 0.54338342012541 18.998 > 57 59 F 0.02175287349981 0.88680826358139 0.54338342012541 18.998 > 57 60 F 0.52175287349981 0.88680826358139 0.54338342012541 18.998 > 57 61 F 0.47824712650019 0.13680826358139 0.95661657987459 18.998 > 61 62 F 0.97824712650019 0.13680826358139 0.95661657987459 18.998 > 61 63 F 0.47824712650019 0.63680826358139 0.95661657987459 18.998 > 61 64 F 0.97824712650019 0.63680826358139 0.95661657987459 18.998 > 61 65 F 0.30122115062402 0.11263371128081 0.34593490414859 18.998 > 65 66 F 0.80122115062402 0.11263371128081 0.34593490414859 18.998 > 65 67 F 0.30122115062402 0.61263371128082 0.34593490414859 18.998 > 65 68 F 0.80122115062402 0.61263371128082 0.34593490414859 18.998 > 65 69 F 0.19877884937598 0.36263371128082 0.15406509585142 18.998 > 69 70 F 0.69877884937598 0.36263371128082 0.15406509585142 18.998 > 69 71 F 0.19877884937598 0.86263371128082 0.15406509585142 18.998 > 69 72 F 0.69877884937598 0.86263371128082 0.15406509585142 18.998 > 69 73 F 0.19877884937598 0.38736628871918 0.65406509585141 18.998 > 73 74 F 0.69877884937598 0.38736628871918 0.65406509585141 18.998 > 73 75 F 0.19877884937598 0.88736628871918 0.65406509585141 18.998 > 73 76 F 0.69877884937598 0.88736628871918 0.65406509585141 18.998 > 73 77 F 0.30122115062402 0.13736628871918 0.84593490414859 18.998 > 77 78 F 0.80122115062402 0.13736628871918 0.84593490414859 18.998 > 77 79 F 0.30122115062402 0.63736628871918 0.84593490414859 18.998 > 77 80 F 0.80122115062402 0.63736628871918 0.84593490414859 18.998 > 77 81 F 0.37627880861716 0.32056866022569 0.59996260267696 18.998 > 81 82 F 0.87627880861716 0.32056866022569 0.59996260267696 18.998 > 81 83 F 0.37627880861716 0.82056866022569 0.59996260267696 18.998 > 81 84 F 0.87627880861716 0.82056866022569 0.59996260267696 18.998 > 81 85 F 0.12372119138284 0.07056866022569 0.90003739732304 18.998 > 85 86 F 0.62372119138284 0.07056866022569 0.90003739732304 18.998 > 85 87 F 0.12372119138284 0.57056866022569 0.90003739732304 18.998 > 85 88 F 0.62372119138284 0.57056866022569 0.90003739732304 18.998 > 85 89 F 0.12372119138284 0.17943133977431 0.40003739732304 18.998 > 89 90 F 0.62372119138284 0.17943133977431 0.40003739732304 18.998 > 89 91 F 0.12372119138284 0.67943133977431 0.40003739732304 18.998 > 89 92 F 0.62372119138284 0.67943133977431 0.40003739732304 18.998 > 89 93 F 0.37627880861716 0.42943133977431 0.09996260267696 18.998 > 93 94 F 0.87627880861716 0.42943133977431 0.09996260267696 18.998 > 93 95 F 0.37627880861716 0.92943133977431 0.09996260267696 18.998 > 93 96 F 0.87627880861716 0.92943133977431 0.09996260267696 18.998 > 93 97 F 0.37450220769278 0.37640161614835 0.34644490453432 18.998 > 97 98 F 0.87450220769278 0.37640161614835 0.34644490453432 18.998 > 97 99 F 0.37450220769278 0.87640161614835 0.34644490453432 18.998 > 97 100 F 0.87450220769278 0.87640161614835 0.34644490453432 18.998 > 97 101 F 0.12549779230722 0.12640161614835 0.15355509546568 18.998 > 101 102 F 0.62549779230722 0.12640161614835 0.15355509546568 18.998 > 101 103 F 0.12549779230722 0.62640161614835 0.15355509546568 18.998 > 101 104 F 0.62549779230722 0.62640161614835 0.15355509546568 18.998 > 101 105 F 0.12549779230722 0.12359838385165 0.65355509546568 18.998 > 105 106 F 0.62549779230722 0.12359838385165 0.65355509546568 18.998 > 105 107 F 0.12549779230722 0.62359838385165 0.65355509546568 18.998 > 105 108 F 0.62549779230722 0.62359838385165 0.65355509546568 18.998 > 105 109 F 0.37450220769278 0.37359838385165 0.84644490453432 18.998 > 109 110 F 0.87450220769278 0.37359838385165 0.84644490453432 18.998 > 109 111 F 0.37450220769278 0.87359838385165 0.84644490453432 18.998 > 109 112 F 0.87450220769278 0.87359838385165 0.84644490453432 18.998 > 109 113 Li 0.29443068379686 0.25115698311754 0.69374853268769 6.941 > 113 114 Li 0.79443068379686 0.25115698311754 0.69374853268769 6.941 > 113 115 Li 0.29443068379686 0.75115698311754 0.69374853268769 6.941 > 113 116 Li 0.79443068379686 0.75115698311754 0.69374853268769 6.941 > 113 117 Li 0.20556931620314 0.00115698311754 0.80625146731231 6.941 > 117 118 Li 0.70556931620314 0.00115698311754 0.80625146731231 6.941 > 117 119 Li 0.20556931620314 0.50115698311754 0.80625146731231 6.941 > 117 120 Li 0.70556931620314 0.50115698311754 0.80625146731231 6.941 > 117 121 Li 0.20556931620314 0.24884301688246 0.30625146731231 6.941 > 121 122 Li 0.70556931620314 0.24884301688246 0.30625146731231 6.941 > 121 123 Li 0.20556931620314 0.74884301688246 0.30625146731231 6.941 > 121 124 Li 0.70556931620314 0.74884301688246 0.30625146731231 6.941 > 121 125 Li 0.29443068379686 0.49884301688246 0.19374853268769 6.941 > 125 126 Li 0.79443068379686 0.49884301688246 0.19374853268769 6.941 > 125 127 Li 0.29443068379686 0.99884301688246 0.19374853268769 6.941 > 125 128 Li 0.79443068379686 0.99884301688246 0.19374853268769 6.941 > 125 129 Li 0.48137747012380 0.48418740242862 0.83899497975559 6.941 > 129 130 Li 0.98137747012380 0.48418740242862 0.83899497975559 6.941 > 129 131 Li 0.48137747012380 0.98418740242862 0.83899497975559 6.941 > 129 132 Li 0.98137747012380 0.98418740242862 0.83899497975559 6.941 > 129 133 Li 0.01862252987620 0.23418740242862 0.66100502024441 6.941 > 133 134 Li 0.51862252987620 0.23418740242862 0.66100502024441 6.941 > 133 135 Li 0.01862252987620 0.73418740242862 0.66100502024441 6.941 > 133 136 Li 0.51862252987620 0.73418740242862 0.66100502024441 6.941 > 133 137 Li 0.01862252987620 0.01581259757138 0.16100502024441 6.941 > 137 138 Li 0.51862252987620 0.01581259757138 0.16100502024441 6.941 > 137 139 Li 0.01862252987620 0.51581259757138 0.16100502024441 6.941 > 137 140 Li 0.51862252987620 0.51581259757138 0.16100502024441 6.941 > 137 141 Li 0.48137747012380 0.26581259757138 0.33899497975559 6.941 > 141 142 Li 0.98137747012380 0.26581259757138 0.33899497975559 6.941 > 141 143 Li 0.48137747012380 0.76581259757138 0.33899497975559 6.941 > 141 144 Li 0.98137747012380 0.76581259757138 0.33899497975559 6.941 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5256557 0.0000000 0.0082203 0.0000000 2.3868127 0.0000000 0.0082265 0.0000000 2.4411291 -------------------------- Born effective charges -------------------------- 1 Zr 4.9454770 -0.0045667 0.0085239 -0.0007503 4.1223929 0.0221761 -0.0161328 0.0981361 4.3013908 2 Zr 4.9454770 0.0045667 0.0085239 0.0007503 4.1223929 -0.0221761 -0.0161328 -0.0981361 4.3013908 3 Zr 4.9454770 -0.0045667 0.0085239 -0.0007503 4.1223929 0.0221761 -0.0161328 0.0981361 4.3013908 4 Zr 4.9454770 0.0045667 0.0085239 0.0007503 4.1223929 -0.0221761 -0.0161328 -0.0981361 4.3013908 5 F -1.8284075 0.1092730 0.0670577 0.0849440 -0.9129681 -0.2583351 0.1026098 -0.2049255 -0.7447793 6 F -1.8284075 -0.1092730 0.0670577 -0.0849440 -0.9129681 0.2583351 0.1026098 0.2049255 -0.7447793 7 F -1.8284075 0.1092730 0.0670577 0.0849440 -0.9129681 -0.2583351 0.1026098 -0.2049255 -0.7447793 8 F -1.8284075 -0.1092730 0.0670577 -0.0849440 -0.9129681 0.2583351 0.1026098 0.2049255 -0.7447793 9 F -0.8317146 0.1358982 -0.2018489 0.1450160 -0.9189288 0.3067386 -0.2249434 0.2320161 -1.6097269 10 F -0.8317146 -0.1358982 -0.2018489 -0.1450160 -0.9189288 -0.3067386 -0.2249434 -0.2320161 -1.6097269 11 F -0.8317146 0.1358982 -0.2018489 0.1450160 -0.9189288 0.3067386 -0.2249434 0.2320161 -1.6097269 12 F -0.8317146 -0.1358982 -0.2018489 -0.1450160 -0.9189288 -0.3067386 -0.2249434 -0.2320161 -1.6097269 13 F -1.7503599 -0.2204772 0.0722820 -0.1963677 -1.0361704 0.1363359 0.0548972 0.1163052 -0.6814474 14 F -1.7503599 0.2204772 0.0722820 0.1963677 -1.0361704 -0.1363359 0.0548972 -0.1163052 -0.6814474 15 F -1.7503599 -0.2204772 0.0722820 -0.1963677 -1.0361704 0.1363359 0.0548972 0.1163052 -0.6814474 16 F -1.7503599 0.2204772 0.0722820 0.1963677 -1.0361704 -0.1363359 0.0548972 -0.1163052 -0.6814474 17 F -0.8591300 0.1986912 -0.1878571 0.2473247 -1.0768416 0.4601168 -0.2236229 0.3779384 -1.3655035 18 F -0.8591300 -0.1986912 -0.1878571 -0.2473247 -1.0768416 -0.4601168 -0.2236229 -0.3779384 -1.3655035 19 F -0.8591300 0.1986912 -0.1878571 0.2473247 -1.0768416 0.4601168 -0.2236229 0.3779384 -1.3655035 20 F -0.8591300 -0.1986912 -0.1878571 -0.2473247 -1.0768416 -0.4601168 -0.2236229 -0.3779384 -1.3655035 21 F -0.8767789 -0.1127442 0.1053407 -0.1155913 -1.5004318 0.5070194 0.1188474 0.4851056 -1.0006144 22 F -0.8767789 0.1127442 0.1053407 0.1155913 -1.5004318 -0.5070194 0.1188474 -0.4851056 -1.0006144 23 F -0.8767789 -0.1127442 0.1053407 -0.1155913 -1.5004318 0.5070194 0.1188474 0.4851056 -1.0006144 24 F -0.8767789 0.1127442 0.1053407 0.1155913 -1.5004318 -0.5070194 0.1188474 -0.4851056 -1.0006144 25 F -0.8853565 0.1996473 0.1697240 0.1944164 -1.0366645 -0.4650107 0.1855695 -0.3887942 -1.3644966 26 F -0.8853565 -0.1996473 0.1697240 -0.1944164 -1.0366645 0.4650107 0.1855695 0.3887942 -1.3644966 27 F -0.8853565 0.1996473 0.1697240 0.1944164 -1.0366645 -0.4650107 0.1855695 -0.3887942 -1.3644966 28 F -0.8853565 -0.1996473 0.1697240 -0.1944164 -1.0366645 0.4650107 0.1855695 0.3887942 -1.3644966 29 Li 1.0217850 -0.0311409 -0.0373251 0.0382702 1.1401914 -0.0049110 0.0083965 -0.0012655 1.2998480 30 Li 1.0217850 0.0311409 -0.0373251 -0.0382702 1.1401914 0.0049110 0.0083965 0.0012655 1.2998480 31 Li 1.0217850 -0.0311409 -0.0373251 0.0382702 1.1401914 -0.0049110 0.0083965 -0.0012655 1.2998480 32 Li 1.0217850 0.0311409 -0.0373251 -0.0382702 1.1401914 0.0049110 0.0083965 0.0012655 1.2998480 33 Li 1.0644854 -0.0215986 0.0041027 0.0950616 1.2194208 0.0438637 -0.0056214 -0.1158630 1.1653295 34 Li 1.0644854 0.0215986 0.0041027 -0.0950616 1.2194208 -0.0438637 -0.0056214 0.1158630 1.1653295 35 Li 1.0644854 -0.0215986 0.0041027 0.0950616 1.2194208 0.0438637 -0.0056214 -0.1158630 1.1653295 36 Li 1.0644854 0.0215986 0.0041027 -0.0950616 1.2194208 -0.0438637 -0.0056214 0.1158630 1.1653295 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 285, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 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 1.607 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.667 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 9.965 ( 0.000 0.000 0.000) 0.000 10.227 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.438 ( 0.000 0.000 0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.745 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.118 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.844 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.305 ( 0.000 0.000 0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 13.855 ( 0.000 0.000 0.000) 0.000 14.195 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 0.000) 0.000 14.855 ( 0.000 0.000 0.000) 0.000 15.104 ( 0.000 0.000 0.000) 0.000 15.421 ( 0.000 0.000 0.000) 0.000 15.588 ( 0.000 0.000 0.000) 0.000 15.990 ( 0.000 0.000 0.000) 0.000 16.351 ( 0.000 0.000 0.000) 0.000 16.812 ( 0.000 0.000 0.000) 0.000 16.841 ( 0.000 0.000 0.000) 0.000 17.737 ( 0.000 0.000 0.000) 0.000 18.156 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 23.025 0.000 9.931) 25.076 0.605 ( 25.081 0.000 20.027) 32.096 1.159 ( 53.963 0.000 9.145) 54.733 1.612 ( 3.196 0.000 -5.686) 6.523 2.106 ( 16.312 0.000 0.376) 16.316 2.108 ( 7.602 0.000 3.439) 8.343 2.791 ( -5.178 0.000 2.413) 5.712 2.946 ( -1.818 0.000 -5.358) 5.658 3.316 ( -9.354 0.000 -7.974) 12.291 3.412 ( -14.964 0.000 4.689) 15.681 3.579 ( -13.115 0.000 1.197) 13.169 3.618 ( -0.364 0.000 -0.921) 0.991 3.748 ( -4.748 0.000 1.474) 4.971 4.058 ( 4.338 0.000 -5.922) 7.340 4.184 ( 6.707 0.000 -11.935) 13.691 4.241 ( 15.213 0.000 -1.872) 15.328 4.378 ( 6.904 0.000 3.148) 7.588 4.503 ( 3.440 0.000 10.235) 10.798 4.659 ( 5.031 0.000 -9.368) 10.634 4.692 ( 6.809 0.000 -1.512) 6.975 4.939 ( 7.596 0.000 2.269) 7.928 5.095 ( 8.775 0.000 -6.358) 10.836 5.129 ( 18.116 0.000 0.584) 18.125 5.384 ( 3.840 0.000 -1.872) 4.272 5.392 ( 4.963 0.000 -3.741) 6.215 5.624 ( 7.250 0.000 5.338) 9.003 6.083 ( -19.143 0.000 -1.893) 19.236 6.097 ( -11.207 0.000 -0.522) 11.219 6.178 ( -2.028 0.000 4.028) 4.510 6.308 ( -6.382 0.000 -5.956) 8.729 6.409 ( -1.839 0.000 -3.922) 4.331 6.479 ( -6.696 0.000 -1.706) 6.910 6.614 ( -4.147 0.000 2.150) 4.671 6.739 ( -2.989 0.000 -3.726) 4.777 6.820 ( -6.606 0.000 -1.798) 6.847 6.993 ( -1.640 0.000 -1.332) 2.113 7.007 ( 1.095 0.000 2.242) 2.495 7.080 ( 0.726 0.000 -5.330) 5.379 7.221 ( 1.476 0.000 -3.939) 4.207 7.294 ( 3.964 0.000 0.886) 4.061 7.464 ( -4.469 0.000 -6.110) 7.570 7.546 ( 17.418 0.000 -2.685) 17.624 7.707 ( -9.324 0.000 1.475) 9.440 7.834 ( -0.274 0.000 4.332) 4.341 8.093 ( -9.151 0.000 -0.921) 9.198 8.151 ( 2.309 0.000 8.488) 8.797 8.356 ( -4.268 0.000 2.264) 4.831 8.453 ( -8.649 0.000 21.285) 22.975 8.479 ( 0.793 0.000 1.947) 2.102 8.689 ( 6.324 0.000 1.868) 6.594 8.744 ( -0.247 0.000 -0.211) 0.325 8.784 ( -2.152 0.000 0.027) 2.152 9.064 ( 0.568 0.000 -3.024) 3.077 9.071 ( -8.587 0.000 2.487) 8.940 9.141 ( -3.846 0.000 9.765) 10.495 9.250 ( 0.691 0.000 -1.767) 1.897 9.332 ( 2.690 0.000 -1.694) 3.179 9.468 ( -7.950 0.000 16.282) 18.120 9.745 ( 5.542 0.000 -0.126) 5.544 9.816 ( 11.151 0.000 0.692) 11.172 9.858 ( -7.974 0.000 4.946) 9.383 10.073 ( -1.205 0.000 0.284) 1.238 10.293 ( 4.426 0.000 0.013) 4.426 10.301 ( 1.569 0.000 -0.699) 1.718 10.310 ( 6.327 0.000 1.987) 6.632 10.523 ( -2.418 0.000 6.018) 6.485 10.639 ( -1.835 0.000 -0.085) 1.837 10.678 ( 4.946 0.000 -3.140) 5.859 11.039 ( -3.056 0.000 0.834) 3.168 11.191 ( 3.024 0.000 -2.734) 4.077 11.264 ( 0.976 0.000 -6.952) 7.021 11.326 ( 0.856 0.000 3.867) 3.960 11.425 ( 7.587 0.000 -24.375) 25.528 11.439 ( -5.272 0.000 16.837) 17.643 11.629 ( -1.340 0.000 0.496) 1.429 11.761 ( 2.838 0.000 -4.034) 4.932 11.857 ( 3.138 0.000 -0.863) 3.255 11.858 ( 10.249 0.000 -2.689) 10.596 12.013 ( -6.682 0.000 -3.477) 7.532 12.051 ( 1.924 0.000 3.656) 4.132 12.389 ( 2.988 0.000 3.354) 4.492 12.460 ( 8.340 0.000 -28.166) 29.374 12.493 ( 2.689 0.000 -7.463) 7.932 12.530 ( -2.379 0.000 0.947) 2.561 12.662 ( -2.566 0.000 -1.878) 3.180 12.760 ( -5.214 0.000 -6.269) 8.154 12.977 ( -1.107 0.000 -0.251) 1.135 13.044 ( -0.190 0.000 1.387) 1.400 13.176 ( -4.782 0.000 3.906) 6.175 13.297 ( 1.930 0.000 -8.336) 8.557 13.452 ( -6.060 0.000 -2.577) 6.586 13.504 ( -7.595 0.000 -9.004) 11.780 13.780 ( -1.400 0.000 5.320) 5.501 13.894 ( 2.802 0.000 3.127) 4.199 14.166 ( -3.032 0.000 3.166) 4.384 14.278 ( 2.025 0.000 7.233) 7.511 14.646 ( -0.435 0.000 -0.942) 1.038 14.823 ( 3.285 0.000 -14.477) 14.845 15.069 ( -2.539 0.000 -3.634) 4.433 15.228 ( -12.213 0.000 0.861) 12.244 15.788 ( 14.498 0.000 -4.992) 15.333 16.087 ( 9.360 0.000 1.269) 9.446 16.357 ( -1.478 0.000 6.514) 6.680 16.863 ( 5.009 0.000 -2.445) 5.574 16.934 ( 10.770 0.000 3.105) 11.209 17.526 ( -12.755 0.000 31.783) 34.247 17.608 ( -7.438 0.000 -12.874) 14.868 18.165 ( -5.013 0.000 13.901) 14.778 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 23.424 0.000 8.598) 24.952 1.203 ( 25.149 0.000 16.997) 30.354 1.672 ( 9.014 0.000 -7.937) 12.010 1.985 ( 15.910 0.000 5.581) 16.860 2.238 ( -5.392 0.000 -4.150) 6.804 2.392 ( 13.746 0.000 3.878) 14.283 2.801 ( 16.994 0.000 4.334) 17.538 2.928 ( -6.788 0.000 0.526) 6.808 3.066 ( -19.497 0.000 3.899) 19.883 3.205 ( 11.829 0.000 -16.294) 20.135 3.351 ( -5.445 0.000 5.129) 7.480 3.516 ( -8.903 0.000 -3.974) 9.749 3.704 ( -1.162 0.000 -0.654) 1.333 4.189 ( 0.534 0.000 -3.191) 3.235 4.252 ( 14.543 0.000 1.066) 14.582 4.476 ( 2.490 0.000 0.382) 2.519 4.538 ( 13.603 0.000 -0.384) 13.609 4.739 ( 12.206 0.000 6.382) 13.773 4.804 ( 11.772 0.000 0.161) 11.773 4.862 ( 9.899 0.000 1.594) 10.027 5.118 ( 7.828 0.000 1.617) 7.993 5.159 ( 3.729 0.000 0.101) 3.730 5.368 ( 6.104 0.000 -9.412) 11.218 5.511 ( 6.323 0.000 4.251) 7.619 5.528 ( -16.495 0.000 -6.542) 17.745 5.585 ( 4.379 0.000 -2.645) 5.115 5.795 ( -14.254 0.000 -3.879) 14.772 5.870 ( 5.508 0.000 2.011) 5.864 6.066 ( -13.846 0.000 -1.622) 13.941 6.132 ( -7.137 0.000 7.861) 10.617 6.348 ( -6.205 0.000 -3.607) 7.177 6.400 ( 1.556 0.000 0.987) 1.843 6.536 ( -8.302 0.000 -3.531) 9.022 6.614 ( -6.015 0.000 -2.891) 6.674 6.672 ( 3.227 0.000 -3.238) 4.571 6.815 ( -14.161 0.000 -5.900) 15.341 7.004 ( -3.524 0.000 4.389) 5.629 7.117 ( 5.692 0.000 -1.725) 5.948 7.244 ( 2.316 0.000 -4.212) 4.807 7.411 ( 6.432 0.000 0.278) 6.438 7.412 ( 2.205 0.000 -4.270) 4.805 7.632 ( -2.659 0.000 6.954) 7.445 7.723 ( -12.164 0.000 -1.599) 12.268 7.812 ( 8.234 0.000 -0.510) 8.250 8.031 ( 1.832 0.000 4.120) 4.509 8.179 ( -2.253 0.000 6.207) 6.604 8.297 ( -2.671 0.000 2.572) 3.708 8.370 ( -5.440 0.000 1.912) 5.766 8.499 ( 0.821 0.000 2.260) 2.405 8.707 ( -2.679 0.000 -3.212) 4.183 8.803 ( 3.278 0.000 2.443) 4.088 8.834 ( 5.996 0.000 0.015) 5.996 8.952 ( -7.424 0.000 -0.029) 7.424 8.960 ( -2.206 0.000 0.602) 2.287 9.103 ( -5.008 0.000 3.238) 5.964 9.193 ( -9.400 0.000 -3.443) 10.011 9.338 ( 1.008 0.000 -0.327) 1.060 9.454 ( -1.179 0.000 9.894) 9.964 9.801 ( 1.820 0.000 1.107) 2.130 9.945 ( 12.282 0.000 -0.865) 12.312 10.008 ( 6.787 0.000 -1.181) 6.889 10.077 ( 1.477 0.000 2.563) 2.958 10.296 ( -1.828 0.000 -1.390) 2.296 10.363 ( 2.420 0.000 1.621) 2.912 10.476 ( 7.898 0.000 5.091) 9.397 10.502 ( -1.786 0.000 2.931) 3.432 10.606 ( -1.490 0.000 0.447) 1.556 10.774 ( 5.907 0.000 -3.707) 6.974 10.980 ( -2.594 0.000 0.823) 2.722 11.223 ( 0.223 0.000 -5.810) 5.814 11.249 ( 4.344 0.000 -3.406) 5.521 11.348 ( -0.925 0.000 3.358) 3.483 11.394 ( -3.390 0.000 1.911) 3.891 11.486 ( 2.845 0.000 -2.856) 4.031 11.634 ( 2.420 0.000 0.531) 2.478 11.725 ( -6.942 0.000 -4.904) 8.499 11.868 ( 2.709 0.000 -2.169) 3.471 11.986 ( 4.708 0.000 -1.827) 5.050 12.046 ( 9.792 0.000 -2.514) 10.110 12.131 ( 2.811 0.000 7.649) 8.149 12.429 ( -4.296 0.000 -1.894) 4.695 12.452 ( 0.960 0.000 -8.595) 8.648 12.464 ( -0.651 0.000 3.059) 3.127 12.480 ( 1.191 0.000 -9.552) 9.626 12.604 ( -2.684 0.000 0.727) 2.781 12.630 ( -3.037 0.000 -4.839) 5.713 12.957 ( -2.012 0.000 3.644) 4.162 13.019 ( -1.880 0.000 -1.100) 2.178 13.072 ( -6.903 0.000 1.049) 6.982 13.278 ( 1.137 0.000 -8.759) 8.832 13.293 ( -8.133 0.000 -2.627) 8.547 13.325 ( -5.686 0.000 -3.872) 6.879 13.767 ( -2.459 0.000 4.885) 5.469 14.000 ( 5.886 0.000 4.642) 7.497 14.133 ( -1.773 0.000 2.099) 2.748 14.369 ( 2.249 0.000 7.947) 8.260 14.616 ( -1.521 0.000 -2.454) 2.888 14.744 ( -6.818 0.000 -5.836) 8.974 14.973 ( -3.079 0.000 -3.697) 4.811 15.060 ( -4.883 0.000 -0.847) 4.956 16.021 ( 12.996 0.000 -8.025) 15.274 16.342 ( 14.328 0.000 4.735) 15.090 16.367 ( -2.938 0.000 10.649) 11.047 16.968 ( 7.040 0.000 -2.823) 7.585 17.190 ( 9.542 0.000 -1.148) 9.611 17.382 ( -3.868 0.000 -9.594) 10.345 17.446 ( -8.601 0.000 11.290) 14.193 18.088 ( -11.493 0.000 13.110) 17.434 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 21.290 0.000 6.897) 22.380 1.736 ( 18.400 0.000 7.154) 19.742 1.870 ( 16.269 0.000 -1.202) 16.313 1.962 ( -16.860 0.000 -5.806) 17.832 2.019 ( -7.081 0.000 2.508) 7.512 2.305 ( -17.354 0.000 -4.337) 17.888 2.770 ( -5.109 0.000 -0.923) 5.192 2.888 ( -0.416 0.000 7.821) 7.832 3.130 ( -3.326 0.000 -3.447) 4.790 3.165 ( -3.710 0.000 -8.573) 9.342 3.589 ( 3.381 0.000 4.663) 5.760 3.693 ( 37.197 0.000 9.966) 38.509 3.799 ( 18.827 0.000 -8.047) 20.474 4.137 ( -7.662 0.000 4.261) 8.768 4.395 ( -9.081 0.000 -3.343) 9.676 4.522 ( 2.634 0.000 -1.812) 3.197 4.670 ( 1.315 0.000 0.138) 1.322 4.847 ( -12.475 0.000 -1.383) 12.551 4.918 ( 3.508 0.000 2.762) 4.465 5.091 ( 5.542 0.000 0.886) 5.613 5.125 ( -2.280 0.000 1.521) 2.741 5.223 ( 4.827 0.000 -0.284) 4.835 5.371 ( 16.750 0.000 1.426) 16.811 5.404 ( 2.643 0.000 -6.257) 6.792 5.514 ( -0.473 0.000 -1.461) 1.535 5.598 ( -7.365 0.000 1.957) 7.620 5.667 ( -2.937 0.000 -3.065) 4.245 5.789 ( -11.831 0.000 -1.028) 11.876 6.004 ( 4.696 0.000 2.341) 5.247 6.076 ( -1.515 0.000 2.071) 2.566 6.255 ( 0.495 0.000 -1.395) 1.480 6.345 ( -6.092 0.000 -0.848) 6.151 6.438 ( -13.906 0.000 -0.806) 13.930 6.483 ( 3.731 0.000 2.269) 4.367 6.547 ( -3.642 0.000 -4.292) 5.630 6.840 ( 10.725 0.000 -6.242) 12.409 6.948 ( -3.365 0.000 5.716) 6.633 7.256 ( 7.600 0.000 -1.318) 7.714 7.292 ( 3.529 0.000 -0.114) 3.531 7.409 ( -2.529 0.000 -3.391) 4.230 7.466 ( -9.112 0.000 -0.730) 9.141 7.507 ( 2.762 0.000 0.059) 2.762 7.586 ( -5.803 0.000 3.550) 6.803 7.869 ( 0.888 0.000 0.921) 1.279 8.107 ( 2.301 0.000 2.514) 3.408 8.116 ( -4.263 0.000 -0.913) 4.360 8.276 ( -0.817 0.000 -0.172) 0.835 8.393 ( 3.608 0.000 3.266) 4.867 8.571 ( 5.255 0.000 4.900) 7.185 8.639 ( -2.064 0.000 -2.379) 3.150 8.786 ( -7.329 0.000 -5.087) 8.921 8.851 ( -4.752 0.000 -0.897) 4.836 8.878 ( 2.530 0.000 1.524) 2.953 8.966 ( 2.168 0.000 -2.665) 3.435 9.016 ( -5.021 0.000 3.133) 5.919 9.078 ( 0.377 0.000 3.074) 3.097 9.325 ( -1.061 0.000 -1.557) 1.885 9.508 ( 1.554 0.000 2.693) 3.109 9.855 ( 2.043 0.000 0.010) 2.043 10.067 ( 1.246 0.000 2.611) 2.893 10.110 ( -0.731 0.000 -1.723) 1.872 10.141 ( 6.473 0.000 -1.379) 6.618 10.252 ( -0.706 0.000 -0.582) 0.915 10.415 ( 1.724 0.000 1.523) 2.300 10.508 ( 0.474 0.000 1.939) 1.996 10.582 ( -0.968 0.000 -0.447) 1.066 10.642 ( 6.220 0.000 3.598) 7.186 10.772 ( -4.642 0.000 -1.267) 4.812 11.021 ( 5.603 0.000 -0.700) 5.647 11.233 ( 3.994 0.000 -4.639) 6.121 11.290 ( 0.670 0.000 -1.356) 1.512 11.320 ( -5.573 0.000 3.723) 6.702 11.333 ( -1.331 0.000 0.638) 1.476 11.496 ( 0.462 0.000 -1.649) 1.712 11.557 ( -5.469 0.000 -1.525) 5.678 11.699 ( 2.391 0.000 0.328) 2.413 11.923 ( 2.333 0.000 -0.917) 2.507 12.054 ( 2.325 0.000 -1.459) 2.745 12.178 ( 4.826 0.000 -1.037) 4.937 12.237 ( 2.909 0.000 4.025) 4.967 12.310 ( -3.531 0.000 -1.601) 3.877 12.376 ( -5.126 0.000 4.525) 6.838 12.436 ( 0.912 0.000 -11.592) 11.627 12.491 ( 0.397 0.000 1.816) 1.858 12.565 ( -1.640 0.000 0.892) 1.867 12.614 ( 1.804 0.000 -1.790) 2.542 12.919 ( -3.186 0.000 2.415) 3.997 12.966 ( -3.237 0.000 -0.307) 3.252 13.022 ( 3.289 0.000 0.015) 3.289 13.130 ( -6.830 0.000 -1.994) 7.115 13.240 ( -1.188 0.000 -0.228) 1.210 13.251 ( -0.547 0.000 -3.930) 3.968 13.755 ( -0.908 0.000 2.049) 2.241 14.121 ( -0.442 0.000 0.587) 0.734 14.169 ( 7.593 0.000 4.331) 8.741 14.446 ( 1.306 0.000 4.763) 4.939 14.523 ( -9.734 0.000 -4.437) 10.697 14.569 ( -1.166 0.000 -2.825) 3.056 14.945 ( 0.295 0.000 -0.042) 0.298 14.991 ( -1.706 0.000 -1.646) 2.371 16.173 ( 6.478 0.000 -6.210) 8.974 16.366 ( -2.658 0.000 7.426) 7.887 16.656 ( 12.745 0.000 7.076) 14.577 17.038 ( -9.986 0.000 -9.851) 14.027 17.079 ( 4.900 0.000 -1.653) 5.171 17.347 ( -5.158 0.000 3.444) 6.202 17.573 ( 14.734 0.000 -0.961) 14.766 17.891 ( -13.971 0.000 6.958) 15.608 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 22.350 0.000) 22.350 0.501 ( 0.000 24.201 0.000) 24.201 1.019 ( 0.000 47.770 0.000) 47.770 1.826 ( 0.000 19.659 0.000) 19.659 1.884 ( 0.000 -1.042 0.000) 1.042 2.169 ( 0.000 13.540 0.000) 13.540 2.899 ( 0.000 5.945 0.000) 5.945 2.987 ( 0.000 -1.502 0.000) 1.502 3.451 ( 0.000 -1.933 0.000) 1.933 3.506 ( 0.000 2.812 0.000) 2.812 3.624 ( 0.000 -5.155 0.000) 5.155 3.793 ( 0.000 3.620 0.000) 3.620 3.868 ( 0.000 -4.499 0.000) 4.499 4.018 ( 0.000 -0.154 0.000) 0.154 4.037 ( 0.000 2.657 0.000) 2.657 4.137 ( 0.000 6.261 0.000) 6.261 4.316 ( 0.000 0.367 0.000) 0.367 4.463 ( 0.000 4.745 0.000) 4.745 4.554 ( 0.000 8.107 0.000) 8.107 4.733 ( 0.000 0.562 0.000) 0.562 4.761 ( 0.000 -0.727 0.000) 0.727 4.949 ( 0.000 -0.995 0.000) 0.995 5.333 ( 0.000 -1.271 0.000) 1.271 5.399 ( 0.000 -0.049 0.000) 0.049 5.475 ( 0.000 4.953 0.000) 4.953 5.515 ( 0.000 3.455 0.000) 3.455 6.161 ( 0.000 -4.245 0.000) 4.245 6.176 ( 0.000 -1.864 0.000) 1.864 6.279 ( 0.000 -2.015 0.000) 2.015 6.341 ( 0.000 -3.714 0.000) 3.714 6.513 ( 0.000 -1.583 0.000) 1.583 6.534 ( 0.000 2.322 0.000) 2.322 6.615 ( 0.000 -7.569 0.000) 7.569 6.729 ( 0.000 7.442 0.000) 7.442 6.767 ( 0.000 0.408 0.000) 0.408 6.882 ( 0.000 -3.978 0.000) 3.978 6.973 ( 0.000 2.200 0.000) 2.200 6.981 ( 0.000 -0.618 0.000) 0.618 7.126 ( 0.000 -9.450 0.000) 9.450 7.194 ( 0.000 -5.251 0.000) 5.251 7.333 ( 0.000 4.199 0.000) 4.199 7.588 ( 0.000 -1.582 0.000) 1.582 7.675 ( 0.000 1.813 0.000) 1.813 7.839 ( 0.000 1.434 0.000) 1.434 7.923 ( 0.000 2.530 0.000) 2.530 8.043 ( 0.000 2.796 0.000) 2.796 8.157 ( 0.000 -8.466 0.000) 8.466 8.265 ( 0.000 -12.751 0.000) 12.751 8.403 ( 0.000 -0.245 0.000) 0.245 8.622 ( 0.000 -2.871 0.000) 2.871 8.728 ( 0.000 -7.482 0.000) 7.482 8.785 ( 0.000 3.314 0.000) 3.314 8.917 ( 0.000 6.683 0.000) 6.683 9.056 ( 0.000 -7.592 0.000) 7.592 9.122 ( 0.000 5.556 0.000) 5.556 9.381 ( 0.000 0.466 0.000) 0.466 9.476 ( 0.000 5.062 0.000) 5.062 9.577 ( 0.000 -5.167 0.000) 5.167 9.639 ( 0.000 -2.260 0.000) 2.260 9.726 ( 0.000 -4.007 0.000) 4.007 9.879 ( 0.000 -2.645 0.000) 2.645 9.937 ( 0.000 -2.041 0.000) 2.041 10.196 ( 0.000 -3.414 0.000) 3.414 10.227 ( 0.000 1.057 0.000) 1.057 10.293 ( 0.000 0.254 0.000) 0.254 10.364 ( 0.000 2.073 0.000) 2.073 10.463 ( 0.000 -8.832 0.000) 8.832 10.666 ( 0.000 4.047 0.000) 4.047 10.725 ( 0.000 1.938 0.000) 1.938 11.112 ( 0.000 -1.600 0.000) 1.600 11.227 ( 0.000 -6.657 0.000) 6.657 11.375 ( 0.000 -4.152 0.000) 4.152 11.393 ( 0.000 9.910 0.000) 9.910 11.459 ( 0.000 -0.170 0.000) 0.170 11.569 ( 0.000 -6.596 0.000) 6.596 11.652 ( 0.000 -1.335 0.000) 1.335 11.852 ( 0.000 1.894 0.000) 1.894 12.009 ( 0.000 -0.820 0.000) 0.820 12.172 ( 0.000 3.027 0.000) 3.027 12.271 ( 0.000 2.590 0.000) 2.590 12.279 ( 0.000 4.641 0.000) 4.641 12.499 ( 0.000 1.795 0.000) 1.795 12.566 ( 0.000 6.395 0.000) 6.395 12.567 ( 0.000 2.809 0.000) 2.809 12.714 ( 0.000 1.966 0.000) 1.966 12.857 ( 0.000 5.600 0.000) 5.600 12.888 ( 0.000 4.418 0.000) 4.418 13.021 ( 0.000 1.869 0.000) 1.869 13.234 ( 0.000 -9.019 0.000) 9.019 13.282 ( 0.000 -4.047 0.000) 4.047 13.460 ( 0.000 1.371 0.000) 1.371 13.512 ( 0.000 4.044 0.000) 4.044 13.766 ( 0.000 0.958 0.000) 0.958 13.825 ( 0.000 0.047 0.000) 0.047 14.123 ( 0.000 11.035 0.000) 11.035 14.175 ( 0.000 -4.932 0.000) 4.932 14.712 ( 0.000 4.587 0.000) 4.587 14.818 ( 0.000 -3.399 0.000) 3.399 15.035 ( 0.000 -6.543 0.000) 6.543 15.536 ( 0.000 -5.114 0.000) 5.114 15.537 ( 0.000 10.582 0.000) 10.582 15.913 ( 0.000 -7.011 0.000) 7.011 16.345 ( 0.000 -0.452 0.000) 0.452 16.739 ( 0.000 -0.232 0.000) 0.232 16.836 ( 0.000 -0.281 0.000) 0.281 17.699 ( 0.000 -3.524 0.000) 3.524 17.856 ( 0.000 -6.990 0.000) 6.990 18.740 ( 0.000 -7.180 0.000) 7.180 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 19.550 13.861 15.869) 28.743 0.781 ( 16.570 21.356 6.018) 27.692 1.478 ( 37.985 26.498 6.453) 46.761 1.827 ( 3.545 17.709 -3.615) 18.419 2.118 ( 17.717 3.730 0.048) 18.105 2.232 ( 6.624 11.278 2.412) 13.300 2.803 ( -6.863 1.494 1.019) 7.098 2.977 ( -0.007 3.056 -3.867) 4.929 3.316 ( -10.074 -0.412 -7.195) 12.386 3.444 ( -12.616 2.736 4.644) 13.719 3.535 ( -13.648 -3.729 1.223) 14.201 3.641 ( -2.385 2.239 -0.289) 3.284 3.751 ( -1.154 -0.040 1.583) 1.959 4.090 ( 0.929 3.522 -3.723) 5.208 4.144 ( 12.149 -1.389 -10.252) 15.957 4.316 ( 10.448 5.403 -3.456) 12.260 4.391 ( 10.779 -2.156 1.733) 11.129 4.478 ( -0.109 3.135 8.784) 9.328 4.644 ( 6.174 1.958 -0.640) 6.509 4.716 ( 7.688 0.658 -3.730) 8.570 4.979 ( 6.633 0.766 -0.115) 6.678 5.080 ( 11.346 -0.889 -2.061) 11.566 5.195 ( 2.552 4.428 0.414) 5.127 5.371 ( 6.002 -0.510 -2.505) 6.524 5.452 ( 2.695 5.006 -3.016) 6.435 5.630 ( 6.025 0.912 4.027) 7.304 6.072 ( -13.334 -1.174 -2.791) 13.674 6.146 ( -12.039 3.487 2.446) 12.770 6.168 ( -3.561 -1.577 1.539) 4.188 6.274 ( -7.546 -3.532 -4.255) 9.355 6.396 ( -1.367 -0.855 -2.751) 3.189 6.516 ( -3.350 3.212 -3.785) 5.988 6.591 ( -2.804 -3.438 0.288) 4.446 6.691 ( -9.065 -4.680 -0.853) 10.237 6.807 ( -3.310 -4.322 4.654) 7.161 6.866 ( -1.680 -4.668 -5.893) 7.703 6.961 ( -2.428 -3.114 0.988) 4.071 7.111 ( 3.118 1.473 0.656) 3.510 7.164 ( 1.731 -3.384 -5.214) 6.452 7.297 ( 7.496 0.745 -2.415) 7.911 7.460 ( 16.677 -4.657 -0.193) 17.316 7.590 ( -0.983 3.262 -2.568) 4.266 7.735 ( -10.062 4.697 -1.152) 11.164 7.856 ( 1.473 -0.397 9.359) 9.483 7.941 ( -4.333 -11.573 9.167) 15.386 8.135 ( 6.358 -9.785 7.518) 13.881 8.170 ( 0.673 -8.692 10.117) 13.355 8.312 ( 2.164 -3.308 3.443) 5.242 8.399 ( -0.301 -4.963 2.917) 5.765 8.675 ( 5.010 -3.493 0.937) 6.179 8.710 ( -0.305 -5.324 -0.147) 5.335 8.862 ( -1.233 2.068 2.511) 3.479 8.878 ( 3.357 -1.626 -3.566) 5.160 9.021 ( -2.310 -2.766 -1.172) 3.790 9.149 ( -0.397 5.660 0.224) 5.679 9.320 ( -5.400 0.029 -3.647) 6.517 9.395 ( -3.387 2.457 0.873) 4.275 9.491 ( -7.984 -0.733 6.510) 10.328 9.719 ( 4.844 -3.418 0.206) 5.932 9.770 ( 9.398 -3.443 0.801) 10.041 9.840 ( -3.662 -1.219 2.821) 4.781 9.994 ( 0.915 -4.328 0.189) 4.428 10.216 ( 0.502 -4.088 3.127) 5.171 10.313 ( 2.259 -0.096 2.685) 3.510 10.385 ( 3.602 1.293 -2.082) 4.357 10.465 ( 9.235 -5.317 -3.571) 11.239 10.538 ( 7.624 -6.844 0.487) 10.257 10.729 ( 5.255 0.399 -3.098) 6.114 10.734 ( 3.532 -3.464 0.465) 4.969 11.086 ( -1.525 -2.960 -2.594) 4.221 11.237 ( 0.999 -4.401 2.012) 4.941 11.376 ( -0.006 -6.031 -0.355) 6.042 11.438 ( 4.419 4.641 -3.506) 7.304 11.460 ( -0.762 2.772 4.615) 5.437 11.604 ( 4.217 -5.801 -4.433) 8.432 11.617 ( -1.019 1.649 -3.865) 4.324 11.894 ( 4.215 1.388 -1.269) 4.616 12.017 ( -0.220 -2.179 5.311) 5.745 12.066 ( -7.015 6.478 -4.422) 10.522 12.207 ( -0.728 11.775 2.711) 12.105 12.355 ( 2.225 -0.777 -1.884) 3.018 12.422 ( 0.354 -1.665 -9.052) 9.211 12.559 ( 0.060 5.215 -1.376) 5.394 12.619 ( 2.156 5.330 -8.292) 10.090 12.675 ( -2.256 2.088 -1.937) 3.633 12.807 ( -4.779 4.206 -0.402) 6.379 12.981 ( 0.108 1.081 7.362) 7.442 13.011 ( -0.160 0.406 -2.721) 2.756 13.193 ( -3.803 -2.428 1.060) 4.635 13.260 ( -0.970 -4.331 1.985) 4.862 13.461 ( -1.770 4.727 -4.805) 6.969 13.517 ( -1.801 1.916 -4.059) 4.836 13.785 ( 3.026 -0.396 -1.497) 3.399 13.817 ( 0.098 -5.099 3.052) 5.944 14.149 ( -2.175 4.378 8.118) 9.476 14.198 ( 3.536 -2.263 4.324) 6.026 14.648 ( -5.416 0.147 -1.997) 5.774 14.805 ( -0.042 -2.918 -3.166) 4.306 15.018 ( -1.582 -5.505 -0.065) 5.728 15.334 ( -9.260 9.436 -2.858) 13.526 15.773 ( 13.964 -1.012 -3.910) 14.537 16.012 ( 9.746 -7.066 0.635) 12.054 16.358 ( -0.383 -0.194 4.649) 4.669 16.827 ( 6.231 -1.872 1.584) 6.696 16.898 ( 7.544 -1.288 -1.048) 7.725 17.531 ( -7.292 -3.088 -14.689) 16.687 17.865 ( -10.045 1.708 17.618) 20.352 18.289 ( -24.280 8.970 3.150) 26.075 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 18.864 15.050 7.004) 25.128 1.287 ( 23.059 7.414 16.913) 29.542 1.859 ( 7.653 16.371 -6.019) 19.047 2.160 ( 12.230 13.612 3.707) 18.671 2.253 ( -3.853 3.939 -2.875) 6.215 2.461 ( 5.991 5.863 1.256) 8.476 2.844 ( 18.605 4.343 2.481) 19.265 2.959 ( -3.776 3.059 1.496) 5.085 3.086 ( -13.667 2.276 0.934) 13.887 3.256 ( 0.976 3.116 -12.103) 12.535 3.330 ( 3.205 -0.365 4.259) 5.343 3.534 ( -6.389 2.476 -1.338) 6.981 3.762 ( -1.702 4.829 -2.195) 5.571 4.187 ( 8.545 -0.644 -1.135) 8.644 4.258 ( 7.010 1.357 -3.813) 8.095 4.478 ( 3.957 1.526 2.215) 4.784 4.584 ( 9.546 2.763 1.147) 10.004 4.654 ( 12.277 -4.914 3.959) 13.804 4.817 ( 7.163 -0.028 0.252) 7.168 4.869 ( 10.827 0.212 1.929) 11.000 5.103 ( 7.771 0.072 0.696) 7.803 5.213 ( 6.451 3.060 1.917) 7.393 5.400 ( 7.816 1.660 -8.179) 11.434 5.456 ( -1.451 -2.856 -0.312) 3.218 5.519 ( -3.589 -1.187 -1.847) 4.207 5.631 ( -1.730 4.076 -0.046) 4.428 5.797 ( -11.680 1.373 -3.077) 12.156 5.894 ( -3.668 0.887 0.738) 3.845 6.049 ( -10.794 -1.564 -1.642) 11.029 6.125 ( -7.106 -0.802 6.118) 9.411 6.365 ( -4.063 -0.889 -0.781) 4.232 6.427 ( -3.961 1.974 -1.842) 4.793 6.470 ( -7.091 -3.528 -3.102) 8.505 6.588 ( 2.594 -1.381 -1.949) 3.526 6.717 ( -4.465 1.167 -1.486) 4.849 6.755 ( -6.811 -5.997 -3.850) 9.858 6.867 ( -5.996 -6.685 1.832) 9.165 7.142 ( 2.340 2.124 -1.694) 3.586 7.212 ( 4.753 -2.866 -2.583) 6.122 7.423 ( 5.570 1.703 -4.603) 7.423 7.575 ( 1.887 8.465 -0.834) 8.713 7.588 ( -3.932 -1.436 3.888) 5.713 7.756 ( -0.575 -3.602 1.512) 3.949 7.763 ( -1.081 1.685 -0.847) 2.174 7.969 ( 2.648 -5.334 6.915) 9.126 8.143 ( -4.418 -4.840 1.771) 6.788 8.184 ( -2.697 -10.467 2.965) 11.208 8.333 ( -1.943 -1.406 1.285) 2.721 8.496 ( 7.563 0.083 4.156) 8.630 8.736 ( -1.263 -5.230 6.358) 8.329 8.744 ( -0.466 -0.063 -0.719) 0.859 8.818 ( 2.760 -2.963 -3.864) 5.597 8.904 ( -0.789 -3.348 -0.554) 3.484 8.992 ( -3.667 1.954 0.387) 4.173 9.103 ( -2.441 2.561 1.903) 4.017 9.192 ( -6.204 -0.763 -2.875) 6.880 9.296 ( -5.805 -0.071 2.535) 6.334 9.440 ( -1.654 -3.378 3.400) 5.070 9.812 ( 2.846 -0.130 0.440) 2.882 9.863 ( 6.997 -5.985 0.107) 9.208 9.994 ( 10.391 -2.251 -3.889) 11.321 10.014 ( 2.962 -5.056 2.131) 6.235 10.232 ( -2.166 -4.493 5.523) 7.442 10.373 ( -0.436 0.367 -0.839) 1.014 10.414 ( 4.776 -3.145 0.310) 5.727 10.593 ( 3.920 4.479 3.762) 7.041 10.623 ( 0.937 0.067 3.090) 3.230 10.746 ( 1.198 -1.611 -3.057) 3.657 10.869 ( 6.311 -8.124 -2.205) 10.521 11.075 ( 2.394 -6.076 -1.132) 6.628 11.259 ( 1.159 -1.559 -2.172) 2.914 11.359 ( -2.767 -2.904 4.421) 5.969 11.467 ( 2.841 1.692 -7.494) 8.191 11.509 ( 0.865 4.622 1.329) 4.887 11.613 ( 2.138 -2.596 -1.444) 3.660 11.640 ( 1.516 -1.592 -3.853) 4.436 11.928 ( -3.019 3.575 -2.223) 5.180 11.969 ( 2.442 -1.315 1.076) 2.975 12.084 ( 3.658 -1.192 2.499) 4.587 12.218 ( 1.294 9.899 -0.490) 9.996 12.351 ( -1.886 -2.945 -1.278) 3.724 12.391 ( 0.030 -2.823 -5.612) 6.282 12.515 ( -5.622 2.323 -2.475) 6.567 12.567 ( 1.132 5.190 -2.303) 5.790 12.667 ( 0.816 5.948 -1.377) 6.160 12.710 ( -4.066 5.733 0.024) 7.028 12.933 ( -5.939 -2.043 2.667) 6.823 12.988 ( -0.110 -1.590 -3.808) 4.128 13.130 ( -3.943 2.451 2.634) 5.338 13.230 ( -4.066 0.602 1.535) 4.387 13.377 ( -2.562 7.212 -8.383) 11.351 13.409 ( -3.151 5.942 -4.016) 7.834 13.798 ( -1.036 1.818 4.937) 5.362 13.907 ( 5.348 -7.707 1.572) 9.511 14.113 ( -3.792 -1.907 4.392) 6.108 14.363 ( 7.801 0.827 6.802) 10.383 14.505 ( -7.247 -5.265 -2.690) 9.353 14.781 ( -1.093 -1.730 -1.912) 2.800 14.983 ( -1.409 -4.148 -1.110) 4.520 15.135 ( -8.753 12.252 -4.636) 15.755 16.006 ( 12.777 -1.395 -6.646) 14.469 16.272 ( 14.890 -6.766 3.725) 16.774 16.375 ( -2.169 0.390 8.601) 8.879 16.942 ( 5.401 -2.486 -0.707) 5.988 17.062 ( 5.954 -6.554 -3.872) 9.664 17.356 ( -0.875 -2.222 -7.577) 7.945 17.674 ( -13.021 12.005 6.996) 19.042 18.027 ( -12.453 -5.468 10.476) 17.168 ======================= Grid point 10 (8/108) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 18.204 8.403 6.012) 20.931 1.821 ( 21.528 5.119 13.491) 25.917 1.984 ( 2.853 9.939 -5.066) 11.515 2.018 ( -8.273 8.520 -5.642) 13.148 2.176 ( -5.953 13.595 -0.208) 14.842 2.319 ( -16.515 1.713 -3.181) 16.905 2.779 ( -4.929 0.948 -1.389) 5.208 2.951 ( -0.671 5.962 6.255) 8.667 3.084 ( -3.777 -3.060 -2.941) 5.682 3.252 ( -2.705 7.092 -6.219) 9.812 3.636 ( 3.347 4.598 2.931) 6.398 3.746 ( 33.153 5.079 7.942) 34.467 3.841 ( 19.246 3.629 -6.646) 20.682 4.202 ( -4.606 6.140 3.175) 8.306 4.366 ( -3.453 -2.487 -1.450) 4.496 4.550 ( 2.260 2.224 -1.494) 3.505 4.686 ( 0.178 1.528 -0.067) 1.540 4.816 ( -9.512 -2.976 -0.891) 10.006 4.894 ( 3.937 -1.859 2.075) 4.823 5.016 ( 4.323 -6.261 1.122) 7.690 5.138 ( -6.209 2.288 0.377) 6.628 5.206 ( 0.144 -0.562 -1.029) 1.181 5.420 ( 3.772 1.186 -4.727) 6.163 5.445 ( 14.712 5.061 2.435) 15.747 5.504 ( 0.062 -1.900 0.104) 1.904 5.588 ( -4.969 0.603 0.593) 5.041 5.692 ( -3.163 1.820 -3.096) 4.786 5.796 ( -11.540 0.182 -1.284) 11.613 5.976 ( 4.713 -2.727 1.729) 5.713 6.056 ( -2.337 -1.469 2.030) 3.427 6.257 ( -5.426 -3.520 0.595) 6.495 6.296 ( 0.341 -0.213 -2.503) 2.536 6.467 ( -4.392 1.331 -2.271) 5.120 6.529 ( -6.877 4.436 3.789) 9.018 6.534 ( -2.454 -1.299 -2.682) 3.860 6.738 ( -0.058 -10.459 -2.306) 10.711 6.911 ( 9.443 -0.044 0.945) 9.491 7.179 ( 1.151 -3.284 -1.318) 3.721 7.286 ( 2.030 -2.288 -0.679) 3.133 7.467 ( -5.196 0.969 0.485) 5.308 7.474 ( 2.684 4.458 -4.617) 6.957 7.575 ( -6.269 -0.513 5.126) 8.114 7.683 ( 2.124 10.730 0.642) 10.957 7.827 ( 0.078 -3.011 -0.206) 3.019 7.995 ( -1.897 -8.261 -0.732) 8.508 8.072 ( -1.323 -6.591 1.149) 6.819 8.161 ( -0.741 -6.766 0.253) 6.811 8.414 ( 7.917 0.268 4.248) 8.988 8.608 ( -8.346 0.322 -3.257) 8.965 8.674 ( 7.483 4.631 4.833) 10.039 8.782 ( -1.179 -3.419 -0.147) 3.620 8.807 ( -0.228 -3.720 -1.892) 4.180 8.864 ( -3.883 1.019 -2.481) 4.719 8.957 ( 1.245 -0.944 -1.543) 2.196 9.037 ( -4.108 2.501 1.577) 5.061 9.084 ( -2.488 -0.274 3.663) 4.437 9.285 ( 0.858 -3.445 -0.077) 3.551 9.426 ( -0.870 -5.859 0.825) 5.980 9.872 ( 2.092 -0.638 -0.227) 2.199 9.954 ( 2.688 -6.610 -0.681) 7.168 10.032 ( 0.251 -6.099 0.537) 6.128 10.202 ( 9.045 0.228 -6.302) 11.026 10.209 ( -1.852 -2.821 4.742) 5.820 10.338 ( -2.966 -3.835 2.908) 5.653 10.526 ( 5.119 -1.886 -0.668) 5.496 10.609 ( -1.933 2.726 4.637) 5.716 10.671 ( 0.622 2.674 0.279) 2.760 10.718 ( -1.864 -4.177 -0.852) 4.652 10.987 ( 5.395 -3.369 -0.988) 6.437 11.137 ( 4.061 -7.555 -1.754) 8.755 11.276 ( 0.474 -1.851 0.591) 2.000 11.334 ( 0.237 3.060 0.469) 3.105 11.438 ( -4.531 6.368 -2.332) 8.156 11.478 ( -2.565 0.880 0.155) 2.716 11.587 ( 0.726 -2.037 -3.280) 3.929 11.697 ( 2.212 0.385 0.699) 2.352 11.918 ( 1.263 1.399 -0.796) 2.046 11.995 ( -0.142 -6.610 0.540) 6.634 12.164 ( 2.576 -1.847 2.152) 3.831 12.247 ( 1.797 1.731 -1.378) 2.850 12.273 ( -3.374 -1.964 -2.398) 4.582 12.369 ( -0.250 2.579 1.771) 3.139 12.415 ( -2.566 1.748 -3.927) 5.006 12.584 ( 1.012 3.680 -0.753) 3.890 12.652 ( -1.817 6.044 2.033) 6.631 12.686 ( 0.919 6.613 -1.255) 6.794 12.851 ( -2.793 -2.769 0.925) 4.040 12.962 ( -0.637 -5.539 -1.420) 5.754 13.088 ( -1.326 7.597 2.830) 8.214 13.138 ( -3.700 4.474 -2.507) 6.324 13.319 ( -0.564 6.713 0.575) 6.761 13.349 ( -1.127 7.092 -4.379) 8.411 13.812 ( -0.085 4.687 2.171) 5.166 14.006 ( 2.228 -11.117 2.252) 11.560 14.091 ( 0.741 -3.079 0.756) 3.256 14.352 ( -5.252 -8.882 -2.052) 10.521 14.560 ( 7.589 6.765 6.203) 11.909 14.719 ( -4.515 3.688 -3.285) 6.692 14.955 ( -1.131 -2.352 -1.493) 3.007 14.978 ( -3.555 5.650 -1.866) 6.931 16.165 ( 6.596 -0.712 -5.378) 8.540 16.371 ( -2.595 0.229 6.407) 6.916 16.591 ( 13.404 -6.169 6.057) 15.950 16.908 ( -8.086 -8.996 -6.049) 13.524 17.102 ( 4.979 0.015 -2.946) 5.785 17.351 ( -3.192 -1.254 -0.511) 3.467 17.615 ( 6.862 3.466 0.781) 7.727 17.836 ( -12.407 -5.097 6.226) 14.788 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 19.287 0.000) 19.287 0.981 ( 0.000 23.127 0.000) 23.127 1.734 ( 0.000 8.797 0.000) 8.797 2.033 ( 0.000 28.559 0.000) 28.559 2.299 ( 0.000 24.520 0.000) 24.520 2.533 ( 0.000 20.970 0.000) 20.970 2.965 ( 0.000 -0.212 0.000) 0.212 3.057 ( 0.000 9.119 0.000) 9.119 3.342 ( 0.000 -9.079 0.000) 9.079 3.536 ( 0.000 -2.670 0.000) 2.670 3.585 ( 0.000 4.820 0.000) 4.820 3.819 ( 0.000 0.193 0.000) 0.193 3.859 ( 0.000 2.533 0.000) 2.533 4.020 ( 0.000 0.469 0.000) 0.469 4.096 ( 0.000 3.245 0.000) 3.245 4.278 ( 0.000 7.064 0.000) 7.064 4.415 ( 0.000 8.797 0.000) 8.797 4.593 ( 0.000 7.492 0.000) 7.492 4.698 ( 0.000 5.707 0.000) 5.707 4.739 ( 0.000 -1.203 0.000) 1.203 4.767 ( 0.000 2.987 0.000) 2.987 4.958 ( 0.000 2.541 0.000) 2.541 5.312 ( 0.000 -0.645 0.000) 0.645 5.377 ( 0.000 -1.695 0.000) 1.695 5.598 ( 0.000 6.851 0.000) 6.851 5.626 ( 0.000 6.911 0.000) 6.911 6.096 ( 0.000 -2.376 0.000) 2.376 6.117 ( 0.000 -3.723 0.000) 3.723 6.147 ( 0.000 -12.620 0.000) 12.620 6.212 ( 0.000 -3.641 0.000) 3.641 6.484 ( 0.000 -5.143 0.000) 5.143 6.577 ( 0.000 2.897 0.000) 2.897 6.593 ( 0.000 2.164 0.000) 2.164 6.649 ( 0.000 -7.692 0.000) 7.692 6.757 ( 0.000 -4.979 0.000) 4.979 6.795 ( 0.000 -4.112 0.000) 4.112 6.965 ( 0.000 -6.911 0.000) 6.911 6.966 ( 0.000 -5.984 0.000) 5.984 7.032 ( 0.000 2.884 0.000) 2.884 7.133 ( 0.000 4.165 0.000) 4.165 7.428 ( 0.000 3.927 0.000) 3.927 7.557 ( 0.000 -1.595 0.000) 1.595 7.700 ( 0.000 0.642 0.000) 0.642 7.819 ( 0.000 -3.804 0.000) 3.804 7.930 ( 0.000 -10.623 0.000) 10.623 7.943 ( 0.000 -2.385 0.000) 2.385 8.053 ( 0.000 -4.835 0.000) 4.835 8.128 ( 0.000 1.906 0.000) 1.906 8.415 ( 0.000 2.347 0.000) 2.347 8.453 ( 0.000 -12.541 0.000) 12.541 8.564 ( 0.000 -6.458 0.000) 6.458 8.810 ( 0.000 -0.837 0.000) 0.837 8.923 ( 0.000 -5.965 0.000) 5.965 9.105 ( 0.000 10.680 0.000) 10.680 9.263 ( 0.000 5.461 0.000) 5.461 9.315 ( 0.000 -5.855 0.000) 5.855 9.409 ( 0.000 -9.747 0.000) 9.747 9.568 ( 0.000 2.626 0.000) 2.626 9.601 ( 0.000 -0.663 0.000) 0.663 9.660 ( 0.000 -1.340 0.000) 1.340 9.855 ( 0.000 0.332 0.000) 0.332 9.892 ( 0.000 -1.775 0.000) 1.775 10.150 ( 0.000 -1.213 0.000) 1.213 10.247 ( 0.000 -1.992 0.000) 1.992 10.249 ( 0.000 -5.101 0.000) 5.101 10.280 ( 0.000 1.733 0.000) 1.733 10.492 ( 0.000 4.242 0.000) 4.242 10.759 ( 0.000 4.069 0.000) 4.069 10.766 ( 0.000 2.041 0.000) 2.041 11.031 ( 0.000 -11.437 0.000) 11.437 11.081 ( 0.000 -1.729 0.000) 1.729 11.297 ( 0.000 -2.493 0.000) 2.493 11.389 ( 0.000 -3.729 0.000) 3.729 11.540 ( 0.000 0.231 0.000) 0.231 11.557 ( 0.000 -1.770 0.000) 1.770 11.648 ( 0.000 9.228 0.000) 9.228 11.873 ( 0.000 -0.279 0.000) 0.279 11.999 ( 0.000 0.121 0.000) 0.121 12.220 ( 0.000 2.199 0.000) 2.199 12.318 ( 0.000 1.600 0.000) 1.600 12.371 ( 0.000 2.873 0.000) 2.873 12.444 ( 0.000 -6.247 0.000) 6.247 12.628 ( 0.000 -0.111 0.000) 0.111 12.715 ( 0.000 7.115 0.000) 7.115 12.770 ( 0.000 3.151 0.000) 3.151 12.905 ( 0.000 -2.769 0.000) 2.769 13.016 ( 0.000 -4.349 0.000) 4.349 13.018 ( 0.000 7.773 0.000) 7.773 13.156 ( 0.000 10.104 0.000) 10.104 13.244 ( 0.000 -0.050 0.000) 0.050 13.482 ( 0.000 1.239 0.000) 1.239 13.649 ( 0.000 5.030 0.000) 5.030 13.834 ( 0.000 7.312 0.000) 7.312 13.862 ( 0.000 2.612 0.000) 2.612 14.053 ( 0.000 -5.811 0.000) 5.811 14.360 ( 0.000 11.067 0.000) 11.067 14.735 ( 0.000 -2.529 0.000) 2.529 14.802 ( 0.000 2.825 0.000) 2.825 14.862 ( 0.000 -9.493 0.000) 9.493 15.385 ( 0.000 -9.658 0.000) 9.658 15.648 ( 0.000 -8.534 0.000) 8.534 15.882 ( 0.000 12.220 0.000) 12.220 16.340 ( 0.000 0.068 0.000) 0.068 16.732 ( 0.000 -0.384 0.000) 0.384 16.839 ( 0.000 0.847 0.000) 0.847 17.610 ( 0.000 -4.721 0.000) 4.721 17.635 ( 0.000 -14.921 0.000) 14.921 18.542 ( 0.000 -11.670 0.000) 11.670 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 13.348 17.744 8.726) 23.858 1.223 ( 19.075 20.919 4.021) 28.594 1.947 ( 18.657 7.563 3.554) 20.443 2.146 ( 6.888 24.017 0.544) 24.991 2.420 ( 16.188 20.165 -0.054) 25.859 2.556 ( 2.002 21.158 -1.379) 21.297 2.853 ( -6.375 3.498 -2.285) 7.622 3.069 ( -0.654 5.824 -0.533) 5.885 3.261 ( -5.896 -5.916 -4.158) 9.330 3.457 ( -10.760 -0.619 -1.666) 10.906 3.538 ( -13.224 5.022 7.185) 15.866 3.700 ( 5.257 3.038 1.432) 6.238 3.758 ( -5.732 1.747 -0.551) 6.017 4.150 ( 14.751 1.600 -8.447) 17.074 4.202 ( -3.392 6.982 -3.506) 8.517 4.357 ( 9.818 0.058 2.300) 10.084 4.443 ( 7.032 6.676 -3.924) 10.460 4.607 ( -2.118 7.542 6.625) 10.260 4.680 ( 4.038 1.257 1.309) 4.427 4.744 ( 5.799 2.481 -3.428) 7.179 4.983 ( 10.379 0.470 1.468) 10.493 5.066 ( 8.019 -0.840 -0.275) 8.067 5.249 ( -5.061 1.398 3.652) 6.395 5.380 ( 6.783 1.720 -3.353) 7.759 5.583 ( 2.712 7.395 -3.327) 8.550 5.676 ( 3.461 3.847 1.065) 5.283 5.997 ( -8.574 -6.635 -2.322) 11.087 6.102 ( -2.742 -3.904 1.508) 5.004 6.175 ( -1.429 -2.384 -0.986) 2.949 6.223 ( -7.475 -1.496 2.576) 8.047 6.362 ( -8.163 -0.727 -0.100) 8.196 6.490 ( -2.742 -5.837 -0.524) 6.471 6.513 ( -6.820 -5.901 -0.937) 9.067 6.644 ( -2.121 4.004 -2.706) 5.278 6.710 ( -5.067 -3.841 -0.343) 6.368 6.792 ( -0.061 -5.829 -0.542) 5.854 6.915 ( -8.654 -3.141 3.478) 9.842 7.054 ( 4.344 -2.753 -2.479) 5.709 7.156 ( 13.449 -6.215 -1.459) 14.888 7.228 ( 7.715 0.104 -2.274) 8.044 7.485 ( 6.758 4.250 0.649) 8.010 7.599 ( -2.986 -0.373 -1.722) 3.468 7.658 ( 1.637 -10.585 10.069) 14.701 7.823 ( -3.425 -1.203 8.104) 8.880 7.898 ( -1.620 2.429 -5.604) 6.319 7.962 ( 2.257 -9.393 1.673) 9.804 8.033 ( -0.280 -1.359 2.639) 2.982 8.265 ( 7.149 -2.424 8.677) 11.501 8.367 ( -2.424 0.403 -1.775) 3.032 8.442 ( 1.964 -13.448 -4.799) 14.413 8.621 ( 2.853 -4.154 1.961) 5.407 8.840 ( 0.666 -3.116 -0.632) 3.248 8.876 ( -2.508 -2.795 -1.774) 4.153 9.081 ( -1.575 7.233 0.009) 7.402 9.282 ( -3.722 -2.920 -0.967) 4.828 9.296 ( 2.496 5.502 -0.931) 6.113 9.340 ( -5.108 -5.703 1.360) 7.776 9.490 ( -8.678 0.867 -1.038) 8.783 9.621 ( 1.785 -4.537 2.080) 5.301 9.717 ( 8.970 -1.733 -0.813) 9.172 9.803 ( -3.274 -2.208 -0.769) 4.023 9.935 ( 0.268 -2.359 3.770) 4.455 10.141 ( -1.336 -2.435 2.156) 3.516 10.277 ( 3.429 -3.197 -0.077) 4.688 10.337 ( 4.137 -1.681 1.297) 4.650 10.390 ( 12.195 -1.619 -4.554) 13.118 10.521 ( 4.128 2.665 -2.990) 5.752 10.737 ( -1.508 2.168 6.619) 7.126 10.813 ( 1.826 3.983 -0.725) 4.441 10.999 ( -3.372 -6.250 -0.175) 7.104 11.131 ( 4.418 -5.278 0.572) 6.907 11.214 ( -1.886 -6.502 -1.059) 6.852 11.445 ( -2.076 -1.409 3.527) 4.329 11.529 ( 3.586 -1.399 -1.850) 4.271 11.623 ( 6.402 0.912 -7.042) 9.561 11.648 ( 0.099 8.743 -0.948) 8.795 11.907 ( 3.283 -0.485 -3.702) 4.972 11.987 ( -2.565 -0.358 6.159) 6.681 12.185 ( -2.649 4.873 -4.031) 6.857 12.322 ( 0.335 0.307 3.408) 3.438 12.361 ( 0.167 0.757 -2.531) 2.648 12.366 ( -4.126 -3.945 -3.858) 6.890 12.638 ( -0.407 0.357 0.255) 0.598 12.720 ( -1.856 3.849 -3.820) 5.732 12.760 ( 0.746 5.447 1.533) 5.708 12.897 ( -3.856 4.201 1.078) 5.803 12.953 ( -1.669 -5.440 2.558) 6.239 13.073 ( -2.190 5.804 1.583) 6.402 13.138 ( 1.167 4.399 -1.586) 4.819 13.272 ( 2.295 3.744 3.628) 5.696 13.524 ( 2.743 0.667 1.809) 3.353 13.642 ( 0.056 7.461 -3.460) 8.224 13.758 ( -4.965 -0.171 -8.152) 9.547 13.818 ( -0.588 4.102 -0.751) 4.211 14.086 ( -1.672 -4.455 10.444) 11.477 14.357 ( -0.859 9.657 2.580) 10.033 14.649 ( -9.396 0.127 -3.756) 10.120 14.727 ( -1.048 -3.581 -1.217) 3.924 14.868 ( -1.123 -8.129 2.173) 8.489 15.467 ( 5.075 0.066 -3.298) 6.053 15.761 ( 11.074 -6.732 -0.935) 12.993 15.887 ( 3.166 4.041 -2.297) 5.624 16.356 ( 0.167 0.194 4.026) 4.034 16.794 ( 4.547 -1.589 2.243) 5.313 16.879 ( 4.951 -0.220 -2.719) 5.653 17.429 ( -6.479 -7.376 -12.938) 16.241 17.737 ( -1.699 -10.361 15.224) 18.494 18.319 ( -19.107 -4.968 -1.009) 19.768 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 18.058 10.767 13.482) 24.976 1.564 ( 13.727 22.619 4.789) 26.888 2.198 ( 4.668 10.810 -2.106) 11.962 2.333 ( 6.662 13.686 -0.483) 15.229 2.547 ( -1.387 14.607 -3.270) 15.033 2.601 ( -4.768 9.050 -0.034) 10.229 2.929 ( 0.240 1.883 -2.592) 3.212 3.076 ( 9.664 7.994 3.047) 12.906 3.175 ( 0.083 7.168 -1.202) 7.269 3.234 ( -3.285 -0.673 1.579) 3.707 3.445 ( 11.225 8.878 -3.614) 14.761 3.636 ( -2.827 7.664 1.533) 8.311 3.857 ( 1.541 3.511 -2.949) 4.837 4.180 ( 6.907 1.204 -1.165) 7.107 4.317 ( 7.055 3.770 -8.328) 11.547 4.539 ( 8.442 -3.259 5.013) 10.345 4.557 ( 1.613 6.048 4.442) 7.675 4.684 ( 5.980 4.175 0.709) 7.327 4.815 ( 6.334 -0.164 0.687) 6.373 4.857 ( 8.032 -0.920 1.053) 8.153 5.116 ( 5.040 0.434 -0.238) 5.064 5.226 ( 8.367 -2.511 2.037) 8.970 5.351 ( 8.570 -3.121 1.510) 9.245 5.482 ( 3.008 3.570 -4.965) 6.815 5.557 ( -8.968 4.910 -1.565) 10.343 5.727 ( 0.984 4.979 0.953) 5.164 5.805 ( -4.792 -2.324 -1.926) 5.663 5.923 ( -18.293 1.961 2.982) 18.638 6.009 ( -7.883 -1.176 -4.683) 9.244 6.105 ( -5.033 -0.947 3.721) 6.330 6.235 ( -5.615 -8.451 -0.236) 10.149 6.452 ( -0.088 -0.532 0.304) 0.619 6.475 ( -8.885 0.163 -3.454) 9.534 6.501 ( 1.020 -6.175 1.275) 6.387 6.672 ( -3.968 -1.778 -1.730) 4.679 6.692 ( -0.621 -2.095 -3.564) 4.181 6.797 ( -6.613 -0.938 4.419) 8.008 7.135 ( 5.679 -4.292 -1.951) 7.382 7.222 ( 0.886 5.245 -3.728) 6.496 7.433 ( 8.538 -1.737 -7.348) 11.398 7.491 ( -1.086 -7.707 3.311) 8.458 7.629 ( -5.939 -6.733 5.069) 10.311 7.724 ( 6.296 2.033 -0.312) 6.624 7.832 ( 1.604 -0.783 1.204) 2.153 7.868 ( -0.519 1.437 0.076) 1.530 7.960 ( -5.769 -8.835 0.589) 10.568 8.039 ( 0.923 -2.577 4.485) 5.254 8.333 ( 0.818 1.032 -1.168) 1.760 8.468 ( 8.498 -7.552 8.570) 14.237 8.547 ( 7.576 -7.055 3.559) 10.947 8.678 ( 2.983 -4.901 -1.006) 5.825 8.745 ( -4.926 -3.930 -3.428) 7.174 8.895 ( 2.421 0.207 -1.121) 2.676 9.037 ( -6.050 1.901 1.432) 6.501 9.128 ( -6.278 -2.795 -1.721) 7.084 9.229 ( -6.619 5.729 0.236) 8.757 9.318 ( -6.858 1.169 0.785) 7.001 9.380 ( 0.737 -0.775 1.552) 1.885 9.675 ( 2.942 -9.184 -0.994) 9.694 9.784 ( 3.486 -5.978 -2.917) 7.510 9.923 ( 9.869 -4.725 0.389) 10.949 9.942 ( 1.529 -1.353 -0.775) 2.184 10.141 ( -1.835 -4.108 6.731) 8.096 10.314 ( 0.412 -4.228 -2.134) 4.754 10.419 ( 3.401 1.569 3.260) 4.966 10.545 ( 4.128 -5.230 -1.100) 6.753 10.641 ( 7.795 0.827 -0.843) 7.884 10.747 ( -1.540 1.342 2.014) 2.868 10.833 ( 2.215 3.645 0.540) 4.300 10.954 ( -0.846 -6.627 2.360) 7.085 11.192 ( 2.658 -3.962 -2.836) 5.550 11.268 ( 5.694 -5.221 0.812) 7.768 11.430 ( 1.838 -3.538 -2.213) 4.559 11.561 ( -0.544 0.374 -2.394) 2.483 11.634 ( -0.898 4.849 -2.645) 5.596 11.705 ( 4.642 4.723 -2.677) 7.143 11.891 ( -2.912 -2.594 -1.097) 4.051 11.984 ( -1.932 0.145 5.457) 5.791 12.145 ( 1.376 4.284 -4.730) 6.528 12.252 ( -3.018 -4.476 -2.938) 6.146 12.314 ( -2.136 -1.616 0.116) 2.681 12.418 ( 4.257 4.744 0.175) 6.377 12.576 ( -6.810 1.751 0.979) 7.099 12.656 ( -0.587 2.449 -2.819) 3.780 12.780 ( -1.158 4.458 1.981) 5.014 12.839 ( -2.243 5.695 1.271) 6.251 12.897 ( -4.550 -2.698 2.270) 5.756 12.978 ( -4.111 6.492 -5.064) 9.203 13.178 ( 1.735 3.116 1.169) 3.753 13.337 ( 0.332 7.719 5.360) 9.404 13.522 ( -3.128 5.827 -5.382) 8.526 13.586 ( -1.495 11.211 -5.633) 12.636 13.717 ( 1.721 -7.617 4.513) 9.019 13.839 ( 3.905 -0.327 -1.916) 4.362 14.069 ( -5.867 -1.861 8.447) 10.452 14.327 ( -4.880 -4.552 -2.953) 7.297 14.524 ( 0.766 5.312 1.496) 5.572 14.701 ( -1.345 -4.488 0.949) 4.780 14.867 ( 1.226 -5.195 0.199) 5.341 15.419 ( -6.691 12.854 -6.311) 15.806 15.975 ( 11.340 -1.117 -3.750) 11.996 16.079 ( 16.006 -11.704 1.250) 19.868 16.379 ( -1.545 0.174 6.689) 6.867 16.861 ( -0.899 -5.468 0.154) 5.544 16.975 ( 6.410 -2.137 -4.763) 8.267 17.279 ( -1.262 -5.673 -5.702) 8.141 17.740 ( -5.580 -6.218 10.005) 13.034 17.937 ( -17.834 -1.929 1.017) 17.967 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 10.630 16.430 4.482) 20.075 1.916 ( 18.379 4.811 11.881) 22.408 2.170 ( -6.171 11.508 -4.080) 13.680 2.318 ( -7.722 7.888 -6.316) 12.718 2.379 ( -4.233 14.096 -5.156) 15.595 2.533 ( -3.392 17.348 3.994) 18.122 2.806 ( -4.128 1.543 -2.636) 5.135 3.001 ( -5.015 -4.965 -0.153) 7.059 3.123 ( -0.770 10.943 3.030) 11.380 3.447 ( -0.586 11.881 -3.332) 12.353 3.766 ( 2.728 7.657 -0.388) 8.137 3.884 ( 28.288 7.741 6.264) 29.989 3.926 ( 17.297 4.475 -5.059) 18.569 4.294 ( -0.682 -1.991 -3.575) 4.149 4.374 ( 2.698 7.499 3.788) 8.824 4.586 ( -0.069 1.060 1.695) 2.001 4.729 ( 0.937 2.090 -0.643) 2.379 4.744 ( 4.785 -3.401 -0.646) 5.906 4.853 ( -4.576 -2.235 1.525) 5.316 4.930 ( -3.591 -0.403 1.033) 3.758 5.164 ( 1.481 0.421 -1.684) 2.282 5.263 ( -8.653 5.757 -0.052) 10.393 5.409 ( 2.460 -3.551 3.528) 5.577 5.450 ( 2.609 -1.380 -3.860) 4.859 5.538 ( 8.235 3.340 1.140) 8.959 5.633 ( -3.418 2.795 -0.187) 4.419 5.702 ( -5.989 -2.158 -1.311) 6.499 5.778 ( -7.578 -1.322 -1.807) 7.902 5.918 ( 1.934 -2.432 0.847) 3.221 6.050 ( -1.303 1.559 0.431) 2.077 6.140 ( -4.306 -6.328 1.678) 7.836 6.300 ( -2.242 -1.196 -1.440) 2.920 6.496 ( -0.567 -1.487 -2.188) 2.706 6.505 ( -3.946 -3.839 -1.551) 5.720 6.533 ( 2.796 -2.501 -1.534) 4.053 6.626 ( -8.676 4.579 5.367) 11.182 6.916 ( 13.307 -0.009 0.164) 13.308 7.159 ( -6.266 1.031 -2.719) 6.908 7.213 ( 2.192 -4.421 -0.764) 4.993 7.464 ( -0.040 -2.371 1.288) 2.698 7.521 ( -3.088 1.658 1.025) 3.651 7.557 ( 3.019 -6.422 -1.039) 7.172 7.737 ( -4.645 -3.715 0.464) 5.966 7.798 ( -1.927 -0.155 -2.183) 2.916 7.859 ( -0.184 -7.579 -0.684) 7.612 7.955 ( 3.548 2.590 0.923) 4.489 8.076 ( 0.281 -2.143 0.934) 2.355 8.426 ( 7.114 1.884 1.787) 7.573 8.596 ( -3.032 -5.293 4.657) 7.674 8.636 ( 0.329 -4.639 -3.956) 6.106 8.661 ( 0.272 -7.212 0.357) 7.226 8.774 ( 4.226 -1.432 3.357) 5.584 8.881 ( 0.183 -1.592 -4.466) 4.745 8.969 ( 0.147 3.126 -1.386) 3.423 9.048 ( -3.416 -2.287 3.737) 5.556 9.114 ( -4.363 4.650 1.161) 6.481 9.228 ( -1.603 -1.008 -0.377) 1.930 9.350 ( -3.677 -0.935 0.716) 3.861 9.720 ( 1.845 -10.608 -1.735) 10.907 9.849 ( 4.005 -8.982 -1.809) 9.999 9.944 ( -0.527 -0.734 0.840) 1.234 10.112 ( 5.515 -6.392 -2.807) 8.897 10.147 ( 1.568 -4.994 3.357) 6.218 10.281 ( -3.099 -2.990 1.580) 4.587 10.504 ( 3.214 -0.234 2.489) 4.072 10.565 ( -0.996 -5.022 -0.810) 5.184 10.667 ( -1.783 1.122 0.074) 2.107 10.775 ( 1.699 4.785 1.084) 5.192 10.913 ( 4.165 -2.419 -1.492) 5.043 10.966 ( -0.196 -8.426 2.247) 8.723 11.251 ( 5.466 -0.834 -2.184) 5.945 11.371 ( 3.990 -1.043 -0.210) 4.129 11.457 ( -2.427 -4.575 -2.332) 5.680 11.498 ( -1.958 -0.876 0.897) 2.325 11.586 ( -0.239 5.744 -2.670) 6.338 11.726 ( -2.578 1.642 1.189) 3.280 11.848 ( 0.237 -4.611 -0.950) 4.714 11.989 ( 0.159 3.558 1.427) 3.836 12.125 ( -0.554 -2.699 -1.874) 3.332 12.240 ( 0.576 -0.485 0.259) 0.796 12.279 ( -0.378 0.620 -1.404) 1.580 12.449 ( -3.591 2.650 1.319) 4.654 12.499 ( 1.914 6.662 -1.209) 7.036 12.644 ( 0.148 1.877 -0.726) 2.018 12.729 ( -2.907 0.365 0.328) 2.948 12.805 ( -2.638 -1.859 1.597) 3.601 12.858 ( -0.913 9.186 3.159) 9.757 12.913 ( 0.196 4.148 -4.175) 5.888 13.203 ( 0.397 5.189 0.509) 5.229 13.341 ( -1.637 12.674 1.549) 12.873 13.450 ( -0.329 5.692 -1.912) 6.013 13.534 ( -1.303 10.933 -2.714) 11.340 13.777 ( 0.935 -9.272 3.847) 10.082 13.919 ( 3.389 2.694 -2.014) 4.775 14.014 ( -0.845 -3.227 2.786) 4.346 14.178 ( -6.711 -7.825 -1.623) 10.436 14.598 ( 2.858 -5.162 -0.332) 5.909 14.692 ( -0.634 -3.241 1.799) 3.761 14.963 ( 8.009 5.105 4.379) 10.458 15.195 ( -10.941 12.530 -7.108) 18.090 16.148 ( 7.472 -0.905 -3.809) 8.435 16.366 ( -3.149 -0.769 5.197) 6.125 16.415 ( 15.964 -10.899 3.423) 19.631 16.713 ( -11.382 -10.011 -4.064) 15.694 17.085 ( 6.097 -1.522 -0.995) 6.363 17.267 ( -1.013 -6.735 -2.343) 7.202 17.666 ( -2.897 0.369 1.825) 3.444 17.713 ( -7.055 -5.971 3.339) 9.827 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 14.169 0.000) 14.169 1.439 ( 0.000 21.955 0.000) 21.955 1.745 ( 0.000 -1.841 0.000) 1.841 2.614 ( 0.000 19.860 0.000) 19.860 2.748 ( 0.000 18.516 0.000) 18.516 2.914 ( 0.000 11.272 0.000) 11.272 2.993 ( 0.000 3.150 0.000) 3.150 3.164 ( 0.000 -1.521 0.000) 1.521 3.259 ( 0.000 9.985 0.000) 9.985 3.545 ( 0.000 3.803 0.000) 3.803 3.695 ( 0.000 5.718 0.000) 5.718 3.854 ( 0.000 2.375 0.000) 2.375 3.886 ( 0.000 -0.094 0.000) 0.094 4.032 ( 0.000 0.430 0.000) 0.430 4.171 ( 0.000 4.117 0.000) 4.117 4.409 ( 0.000 4.993 0.000) 4.993 4.619 ( 0.000 10.284 0.000) 10.284 4.738 ( 0.000 4.635 0.000) 4.635 4.753 ( 0.000 5.567 0.000) 5.567 4.808 ( 0.000 6.190 0.000) 6.190 4.844 ( 0.000 4.292 0.000) 4.292 5.036 ( 0.000 3.735 0.000) 3.735 5.309 ( 0.000 0.189 0.000) 0.189 5.354 ( 0.000 0.027 0.000) 0.027 5.742 ( 0.000 7.045 0.000) 7.045 5.774 ( 0.000 7.046 0.000) 7.046 5.896 ( 0.000 -11.003 0.000) 11.003 6.002 ( 0.000 -7.146 0.000) 7.146 6.053 ( 0.000 -1.858 0.000) 1.858 6.196 ( 0.000 1.634 0.000) 1.634 6.363 ( 0.000 -6.822 0.000) 6.822 6.451 ( 0.000 -6.733 0.000) 6.733 6.571 ( 0.000 -4.951 0.000) 4.951 6.654 ( 0.000 -4.343 0.000) 4.343 6.679 ( 0.000 0.640 0.000) 0.640 6.689 ( 0.000 -5.029 0.000) 5.029 6.773 ( 0.000 -10.686 0.000) 10.686 6.830 ( 0.000 -4.323 0.000) 4.323 7.058 ( 0.000 -0.865 0.000) 0.865 7.216 ( 0.000 -1.160 0.000) 1.160 7.465 ( 0.000 -0.443 0.000) 0.443 7.515 ( 0.000 -1.563 0.000) 1.563 7.691 ( 0.000 -0.910 0.000) 0.910 7.737 ( 0.000 -1.170 0.000) 1.170 7.798 ( 0.000 -2.847 0.000) 2.847 7.892 ( 0.000 -0.430 0.000) 0.430 7.988 ( 0.000 -7.047 0.000) 7.047 8.036 ( 0.000 -8.813 0.000) 8.813 8.257 ( 0.000 -1.704 0.000) 1.704 8.431 ( 0.000 -2.195 0.000) 2.195 8.609 ( 0.000 8.625 0.000) 8.625 8.777 ( 0.000 -2.605 0.000) 2.605 8.804 ( 0.000 -5.395 0.000) 5.395 9.091 ( 0.000 -13.449 0.000) 13.449 9.189 ( 0.000 -4.343 0.000) 4.343 9.291 ( 0.000 3.571 0.000) 3.571 9.410 ( 0.000 5.423 0.000) 5.423 9.579 ( 0.000 -1.430 0.000) 1.430 9.632 ( 0.000 2.954 0.000) 2.954 9.693 ( 0.000 4.534 0.000) 4.534 9.808 ( 0.000 -3.911 0.000) 3.911 9.929 ( 0.000 3.438 0.000) 3.438 10.135 ( 0.000 -0.459 0.000) 0.459 10.186 ( 0.000 -3.164 0.000) 3.164 10.226 ( 0.000 2.179 0.000) 2.179 10.338 ( 0.000 3.215 0.000) 3.215 10.566 ( 0.000 3.046 0.000) 3.046 10.783 ( 0.000 -0.970 0.000) 0.970 10.808 ( 0.000 -1.243 0.000) 1.243 10.819 ( 0.000 -6.800 0.000) 6.800 11.064 ( 0.000 1.218 0.000) 1.218 11.275 ( 0.000 -0.440 0.000) 0.440 11.327 ( 0.000 -2.862 0.000) 2.862 11.488 ( 0.000 -2.101 0.000) 2.101 11.523 ( 0.000 -1.955 0.000) 1.955 11.831 ( 0.000 -3.906 0.000) 3.906 11.883 ( 0.000 11.139 0.000) 11.139 12.023 ( 0.000 2.455 0.000) 2.455 12.269 ( 0.000 1.713 0.000) 1.713 12.272 ( 0.000 -6.315 0.000) 6.315 12.289 ( 0.000 -11.060 0.000) 11.060 12.371 ( 0.000 1.018 0.000) 1.018 12.541 ( 0.000 -4.404 0.000) 4.404 12.829 ( 0.000 2.430 0.000) 2.430 12.840 ( 0.000 5.100 0.000) 5.100 12.857 ( 0.000 -1.854 0.000) 1.854 13.066 ( 0.000 5.572 0.000) 5.572 13.161 ( 0.000 5.459 0.000) 5.459 13.303 ( 0.000 6.309 0.000) 6.309 13.359 ( 0.000 7.998 0.000) 7.998 13.535 ( 0.000 5.186 0.000) 5.186 13.642 ( 0.000 -5.107 0.000) 5.107 13.898 ( 0.000 0.337 0.000) 0.337 13.961 ( 0.000 4.531 0.000) 4.531 14.053 ( 0.000 4.951 0.000) 4.951 14.476 ( 0.000 -2.827 0.000) 2.827 14.732 ( 0.000 0.084 0.000) 0.084 14.747 ( 0.000 1.381 0.000) 1.381 14.840 ( 0.000 2.355 0.000) 2.355 15.152 ( 0.000 -12.778 0.000) 12.778 15.457 ( 0.000 -5.301 0.000) 5.301 16.157 ( 0.000 11.815 0.000) 11.815 16.350 ( 0.000 0.857 0.000) 0.857 16.721 ( 0.000 -1.181 0.000) 1.181 16.879 ( 0.000 2.959 0.000) 2.959 17.261 ( 0.000 -20.901 0.000) 20.901 17.533 ( 0.000 -2.142 0.000) 2.142 18.286 ( 0.000 -13.279 0.000) 13.279 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 12.136 16.235 3.008) 20.492 1.610 ( 19.373 17.244 3.292) 26.144 1.985 ( 19.814 -0.017 2.117) 19.926 2.659 ( 0.136 21.506 3.681) 21.819 2.697 ( 1.827 5.290 -2.558) 6.154 2.917 ( -5.058 4.528 -5.243) 8.578 3.009 ( 6.870 16.225 -3.300) 17.926 3.129 ( -3.207 0.627 -0.170) 3.272 3.237 ( 0.848 7.833 0.884) 7.928 3.503 ( -12.648 4.918 -1.352) 13.637 3.662 ( -2.206 6.360 8.277) 10.669 3.758 ( 4.538 3.827 0.061) 5.936 3.838 ( -5.654 5.053 -0.170) 7.584 4.180 ( 15.033 0.669 -6.692) 16.469 4.338 ( -0.617 5.438 -2.520) 6.025 4.385 ( 6.501 1.898 1.006) 6.847 4.550 ( -0.243 3.728 -3.213) 4.928 4.726 ( 1.931 5.912 0.339) 6.229 4.770 ( -1.384 6.411 6.571) 9.284 4.820 ( 2.947 5.182 -2.900) 6.629 5.002 ( 7.156 -0.345 2.526) 7.597 5.045 ( 2.125 0.999 1.377) 2.722 5.291 ( -1.558 2.477 2.028) 3.560 5.429 ( 8.451 2.705 -3.110) 9.402 5.713 ( 0.902 3.700 -4.045) 5.556 5.782 ( 0.715 5.882 -0.573) 5.952 5.847 ( -3.404 -5.653 1.167) 6.701 6.031 ( -2.487 -2.873 -0.816) 3.887 6.087 ( -0.523 -6.695 4.527) 8.099 6.169 ( -1.718 -0.869 -1.446) 2.408 6.358 ( -3.370 -6.597 -1.047) 7.481 6.397 ( -2.722 -4.938 2.780) 6.287 6.405 ( -13.279 2.753 2.561) 13.801 6.616 ( -5.542 -5.948 -0.948) 8.185 6.674 ( 1.071 -3.307 -3.897) 5.222 6.727 ( 0.475 -0.150 -4.000) 4.031 6.789 ( -1.193 -6.359 3.548) 7.378 6.948 ( 13.447 -10.981 0.519) 17.369 7.042 ( -0.257 -0.098 -0.470) 0.545 7.241 ( 2.620 -3.688 1.067) 4.648 7.478 ( -2.395 -5.646 3.670) 7.148 7.516 ( 2.617 0.055 -6.113) 6.650 7.610 ( -3.305 0.331 0.126) 3.324 7.765 ( 2.186 -1.444 -0.483) 2.664 7.847 ( 2.451 -1.949 9.087) 9.611 7.961 ( 3.217 0.446 -3.018) 4.434 8.002 ( 6.434 -6.201 -2.538) 9.289 8.131 ( -4.166 -2.798 1.370) 5.202 8.201 ( 5.842 -6.269 3.320) 9.190 8.458 ( 0.934 -0.944 -1.536) 2.031 8.614 ( -1.129 7.674 2.971) 8.306 8.747 ( -1.964 -5.475 -3.604) 6.843 8.827 ( 2.308 -2.358 0.794) 3.394 9.089 ( -3.044 -10.413 3.340) 11.351 9.141 ( -0.734 -5.667 -2.949) 6.431 9.272 ( -1.712 2.383 -2.072) 3.592 9.435 ( 1.431 3.519 -1.727) 4.173 9.522 ( -7.390 2.985 -0.420) 7.981 9.576 ( -2.821 0.266 1.348) 3.138 9.695 ( 3.386 -0.682 -0.191) 3.459 9.766 ( -7.263 -1.600 -0.402) 7.448 9.878 ( -0.518 -2.900 1.470) 3.293 10.127 ( -1.763 0.490 2.036) 2.737 10.234 ( 1.881 -1.178 -3.297) 3.974 10.308 ( 6.129 -0.428 4.618) 7.686 10.418 ( 7.065 3.079 -0.447) 7.720 10.572 ( 2.590 2.268 -3.898) 5.201 10.756 ( -0.768 -1.712 5.658) 5.961 10.824 ( 0.270 -3.089 0.844) 3.213 10.914 ( 4.287 -0.488 0.896) 4.407 11.054 ( -0.298 -1.627 -0.710) 1.800 11.143 ( -3.415 -0.602 -0.541) 3.509 11.388 ( -1.868 -3.870 2.133) 4.798 11.527 ( 5.439 0.965 -2.020) 5.882 11.585 ( 6.319 -2.872 -6.008) 9.180 11.846 ( 0.909 1.527 -1.794) 2.525 11.885 ( 1.141 5.304 -1.054) 5.526 12.011 ( -3.196 2.570 5.216) 6.635 12.196 ( -3.784 -8.302 -4.951) 10.381 12.268 ( -0.445 2.541 -0.699) 2.672 12.287 ( -1.596 -5.102 2.467) 5.887 12.396 ( 2.966 0.822 0.139) 3.081 12.543 ( 0.114 -5.920 -1.349) 6.073 12.789 ( -3.333 3.488 -1.152) 4.960 12.847 ( -1.426 -3.101 0.030) 3.413 12.870 ( 0.512 3.687 4.559) 5.886 13.056 ( -2.321 8.648 5.124) 10.316 13.179 ( 1.007 4.735 1.983) 5.231 13.257 ( -3.123 4.859 -0.858) 5.839 13.404 ( 4.743 7.359 -4.787) 9.978 13.561 ( 0.147 4.244 7.320) 8.463 13.642 ( 0.933 -4.041 -4.059) 5.803 13.808 ( -3.790 2.596 -6.566) 8.013 13.933 ( -3.349 4.613 0.096) 5.701 14.054 ( -1.408 1.539 4.172) 4.665 14.433 ( -6.187 -3.007 -0.559) 6.902 14.643 ( -8.303 -4.261 -2.628) 9.695 14.686 ( -1.929 -0.620 0.534) 2.096 14.829 ( 1.914 9.201 1.524) 9.520 15.368 ( 14.556 -7.794 0.731) 16.528 15.550 ( 10.581 -8.933 -2.311) 14.039 16.093 ( -4.001 10.212 -6.653) 12.828 16.370 ( 0.396 1.162 3.957) 4.143 16.752 ( 1.613 -3.133 1.668) 3.899 16.899 ( 2.641 2.093 -1.580) 3.722 17.196 ( -4.774 -15.390 -1.733) 16.207 17.556 ( 0.042 -5.459 5.054) 7.439 18.154 ( -12.160 -10.285 -1.050) 15.961 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 12.311 11.773 8.489) 19.032 1.996 ( 14.139 18.046 2.189) 23.030 2.339 ( 12.215 6.207 0.619) 13.716 2.613 ( -4.266 5.604 -5.127) 8.712 2.732 ( -1.617 8.585 1.107) 8.806 2.801 ( -3.135 6.105 -3.828) 7.858 2.942 ( -6.329 2.885 -1.497) 7.114 3.185 ( -12.324 5.636 0.557) 13.562 3.363 ( 13.087 10.633 0.193) 16.863 3.396 ( 17.332 12.564 0.745) 21.420 3.640 ( 6.193 10.088 -0.834) 11.867 3.836 ( 0.355 11.430 2.904) 11.799 3.889 ( 6.638 0.314 -2.154) 6.986 4.254 ( -0.859 5.136 -2.261) 5.677 4.375 ( 8.771 1.249 -7.749) 11.770 4.506 ( 4.478 -0.091 3.290) 5.557 4.672 ( 6.331 0.921 2.300) 6.798 4.756 ( -2.116 3.191 5.881) 7.018 4.798 ( 5.373 1.537 0.961) 5.670 4.892 ( 5.565 4.314 -0.485) 7.058 5.099 ( 4.136 -2.476 -0.018) 4.820 5.157 ( 5.661 -1.987 2.180) 6.384 5.335 ( 5.156 1.190 -1.545) 5.513 5.554 ( 4.218 2.502 -2.632) 5.566 5.673 ( -9.085 5.226 -1.477) 10.584 5.727 ( -4.892 -3.693 0.003) 6.130 5.809 ( 0.610 2.303 3.778) 4.466 5.902 ( -10.152 -2.118 0.651) 10.391 6.061 ( -13.786 -1.058 -3.193) 14.191 6.066 ( -8.791 -0.735 -0.193) 8.824 6.118 ( -0.660 0.354 1.657) 1.819 6.316 ( -2.270 -8.811 -1.266) 9.186 6.428 ( 2.169 -2.764 3.248) 4.785 6.468 ( -7.306 -2.717 -0.375) 7.804 6.630 ( -3.761 0.782 -3.505) 5.200 6.700 ( 3.057 -0.023 -3.956) 5.000 6.785 ( -1.167 -0.889 7.151) 7.300 7.064 ( 3.796 -2.076 -2.178) 4.844 7.230 ( 8.868 -12.604 0.648) 15.425 7.283 ( 0.942 -2.453 -1.780) 3.174 7.446 ( -1.697 -1.033 -1.590) 2.545 7.488 ( 0.414 -2.104 3.511) 4.114 7.648 ( 3.587 -5.661 -2.032) 7.003 7.778 ( 1.149 -3.666 -6.901) 7.899 7.908 ( -0.464 3.752 2.426) 4.492 7.980 ( -1.961 4.981 1.240) 5.495 8.045 ( 0.364 -0.089 -1.090) 1.152 8.197 ( 11.160 -9.887 5.302) 15.824 8.372 ( 5.289 -3.638 3.858) 7.490 8.497 ( 4.295 -2.014 2.360) 5.298 8.568 ( -4.184 -0.855 0.698) 4.328 8.686 ( -0.212 -2.288 -4.255) 4.836 8.874 ( 0.656 -2.894 0.894) 3.099 9.029 ( -3.492 -4.129 1.793) 5.697 9.073 ( -6.498 -0.005 0.196) 6.501 9.290 ( 4.539 -4.068 -2.017) 6.421 9.315 ( -8.601 0.821 1.406) 8.754 9.439 ( -2.566 6.132 -2.847) 7.231 9.552 ( -2.612 -1.335 0.450) 2.968 9.645 ( -1.605 -6.471 -4.017) 7.783 9.808 ( 8.106 -6.245 -0.768) 10.262 9.887 ( -0.605 -4.814 3.402) 5.925 10.085 ( -3.295 -1.271 2.290) 4.209 10.237 ( -0.082 -3.311 -2.866) 4.380 10.414 ( 1.524 -1.143 5.615) 5.929 10.529 ( 3.751 2.610 -0.544) 4.602 10.657 ( 7.712 1.002 -2.787) 8.261 10.773 ( -1.968 0.447 4.828) 5.233 10.828 ( -1.025 -3.724 2.816) 4.780 10.930 ( 0.222 4.557 1.338) 4.754 11.110 ( 5.663 -5.512 -4.383) 9.037 11.187 ( 6.791 -0.970 0.245) 6.864 11.355 ( -1.001 -3.846 -0.580) 4.016 11.586 ( 0.763 1.813 -1.936) 2.760 11.641 ( 1.945 -3.264 -4.882) 6.186 11.844 ( 0.800 6.465 -0.814) 6.565 11.866 ( -4.278 0.716 -2.665) 5.090 11.988 ( -0.726 0.695 5.872) 5.957 12.106 ( -2.062 -5.049 -4.419) 7.020 12.237 ( -1.493 -1.064 -0.697) 1.961 12.283 ( -0.572 0.239 3.239) 3.297 12.487 ( 3.529 0.884 0.315) 3.652 12.527 ( 1.229 -4.322 -1.243) 4.662 12.703 ( -4.260 3.545 -0.672) 5.583 12.783 ( -4.606 -3.794 -1.580) 6.173 12.893 ( -1.354 4.899 3.978) 6.454 13.043 ( -2.924 10.257 8.089) 13.386 13.147 ( -4.101 7.977 -4.783) 10.165 13.245 ( 2.986 2.982 0.909) 4.316 13.479 ( 4.434 3.057 -2.145) 5.797 13.585 ( -1.265 -4.149 0.906) 4.431 13.629 ( -0.843 5.990 2.861) 6.691 13.776 ( 3.201 5.063 -2.817) 6.619 13.853 ( -3.157 3.458 -2.323) 5.227 14.043 ( -3.096 -1.218 6.405) 7.218 14.238 ( -8.740 -3.525 -5.589) 10.956 14.545 ( -3.054 -3.907 -1.376) 5.146 14.652 ( -2.250 0.517 -0.825) 2.452 14.894 ( 5.075 8.666 5.277) 11.345 15.577 ( 3.478 1.890 -4.506) 5.997 15.816 ( 17.240 -12.808 -1.690) 21.543 15.995 ( 2.019 2.089 -6.637) 7.245 16.390 ( -1.907 0.992 5.619) 6.016 16.725 ( -7.217 -8.099 1.537) 10.957 16.960 ( 4.495 0.376 -1.521) 4.761 17.127 ( -0.425 -8.475 -0.991) 8.544 17.577 ( -0.850 -6.938 4.411) 8.266 17.872 ( -14.553 -5.298 -0.612) 15.499 ======================= Grid point 24 (16/108) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 12.902 5.334 7.836) 16.010 2.178 ( 3.565 14.386 1.297) 14.878 2.401 ( -8.680 5.820 -2.543) 10.756 2.450 ( -1.017 12.741 -4.998) 13.725 2.700 ( -1.490 11.827 -0.203) 11.922 2.790 ( 5.209 5.342 -3.024) 8.051 2.851 ( -2.959 0.550 1.132) 3.215 2.958 ( -10.518 7.365 1.349) 12.911 3.406 ( -0.288 16.756 1.077) 16.793 3.712 ( 1.789 13.274 -1.675) 13.499 3.920 ( 3.257 7.111 -2.207) 8.127 3.998 ( 19.850 3.057 -1.302) 20.126 4.036 ( 18.045 5.657 2.845) 19.124 4.268 ( -0.407 0.431 -0.592) 0.838 4.479 ( 6.341 1.091 -3.798) 7.471 4.603 ( 1.994 -0.418 4.848) 5.258 4.691 ( -2.837 -0.056 2.835) 4.011 4.738 ( -3.114 -2.678 -1.195) 4.277 4.854 ( -3.747 3.714 0.855) 5.345 4.996 ( 2.556 5.549 0.571) 6.136 5.176 ( 5.651 0.998 -1.016) 5.827 5.317 ( 10.192 -2.974 2.336) 10.871 5.407 ( -5.976 5.267 2.848) 8.459 5.418 ( -5.272 -1.198 -4.612) 7.106 5.542 ( -3.850 -3.174 0.017) 4.989 5.646 ( -5.269 -1.141 1.439) 5.580 5.681 ( -3.312 1.688 -0.547) 3.757 5.767 ( -8.464 0.067 -2.790) 8.913 5.867 ( -1.691 -2.723 0.986) 3.354 5.989 ( -1.682 -7.458 -0.604) 7.669 6.137 ( 1.786 4.552 -0.015) 4.890 6.239 ( -3.354 -4.430 0.489) 5.578 6.335 ( -5.425 -7.739 -1.674) 9.598 6.461 ( 0.650 -1.700 1.589) 2.416 6.627 ( 4.971 5.581 -4.106) 8.527 6.720 ( -3.950 4.718 5.899) 8.524 6.914 ( 11.246 -0.287 1.792) 11.392 7.116 ( 0.327 -3.107 -1.112) 3.317 7.199 ( -6.185 1.266 -2.752) 6.887 7.288 ( 0.143 -14.482 1.690) 14.581 7.409 ( -2.664 -4.080 -2.121) 5.315 7.559 ( 5.060 2.023 1.843) 5.752 7.671 ( -0.786 -0.229 -2.787) 2.905 7.744 ( -2.162 -1.796 -0.415) 2.841 7.922 ( 1.968 6.546 -2.577) 7.304 7.953 ( 0.133 -1.951 1.388) 2.398 8.080 ( 2.035 1.851 -0.888) 2.890 8.402 ( 4.583 -10.073 3.365) 11.567 8.454 ( 0.541 -5.172 3.482) 6.258 8.517 ( 3.930 -1.205 -3.516) 5.409 8.562 ( 0.147 -6.375 0.490) 6.396 8.710 ( -5.559 -2.923 2.347) 6.705 8.805 ( 2.059 -5.674 -2.028) 6.368 8.963 ( -4.273 -3.223 2.524) 5.917 9.092 ( 6.404 5.367 -0.385) 8.364 9.208 ( -2.395 4.129 1.709) 5.070 9.266 ( -5.213 3.883 -0.920) 6.565 9.378 ( -4.781 3.038 0.267) 5.671 9.511 ( 0.541 -8.958 -1.570) 9.111 9.644 ( 2.626 -10.057 -3.546) 10.983 9.899 ( -0.126 -4.219 2.675) 4.998 9.958 ( 6.356 -7.830 -1.504) 10.197 10.040 ( -2.066 -5.290 1.002) 5.767 10.199 ( -2.198 -4.786 -0.388) 5.281 10.447 ( -0.161 -2.622 2.606) 3.700 10.568 ( 0.769 2.415 -0.075) 2.535 10.727 ( -0.554 4.748 0.783) 4.844 10.800 ( 4.913 -1.983 -4.254) 6.794 10.830 ( -1.737 -3.436 5.854) 7.007 10.946 ( 0.053 4.011 1.096) 4.159 11.214 ( 7.444 -4.546 -4.664) 9.891 11.296 ( 1.939 -2.748 -1.709) 3.773 11.369 ( 3.273 -3.954 1.279) 5.290 11.508 ( -7.623 0.603 2.044) 7.916 11.635 ( 0.945 -2.215 -1.748) 2.976 11.737 ( -5.256 2.374 -1.762) 6.030 11.878 ( 1.909 5.230 -0.546) 5.594 12.023 ( 0.988 -0.666 1.025) 1.572 12.066 ( -0.473 -2.518 -1.361) 2.901 12.221 ( -0.258 -1.458 0.682) 1.630 12.298 ( 0.666 1.100 0.327) 1.326 12.461 ( -2.445 -1.056 1.713) 3.167 12.620 ( 3.722 -2.405 -2.554) 5.115 12.653 ( 0.144 5.509 2.336) 5.985 12.682 ( -3.159 -1.694 -3.343) 4.902 12.849 ( -4.375 4.921 2.924) 7.205 13.036 ( -1.607 7.703 4.225) 8.931 13.084 ( 0.479 10.914 -3.721) 11.541 13.303 ( 1.729 3.968 0.790) 4.399 13.512 ( 0.806 1.981 -2.488) 3.281 13.582 ( 1.323 1.708 -1.968) 2.923 13.614 ( -3.525 -0.995 6.814) 7.736 13.762 ( -1.166 7.407 -3.188) 8.148 13.914 ( 8.205 2.338 -0.468) 8.544 14.010 ( -2.699 -0.911 3.680) 4.654 14.075 ( -6.774 -0.411 -2.413) 7.203 14.475 ( -2.092 -3.168 -2.137) 4.357 14.611 ( -0.895 -3.709 -0.686) 3.877 15.110 ( 11.510 7.321 10.387) 17.145 15.411 ( -11.423 7.737 -11.151) 17.739 16.118 ( 8.947 -2.974 -2.839) 9.846 16.156 ( 16.881 -13.922 -0.572) 21.889 16.352 ( -4.011 -0.586 3.598) 5.420 16.506 ( -14.846 -9.581 1.532) 17.736 17.047 ( 4.547 -2.016 0.247) 4.980 17.121 ( -1.181 -6.321 -1.623) 6.632 17.584 ( 0.360 -5.129 1.399) 5.328 17.650 ( -7.231 -3.048 0.399) 7.858 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 8.943 0.000) 8.943 1.693 ( 0.000 -3.247 0.000) 3.247 1.869 ( 0.000 20.299 0.000) 20.299 2.603 ( 0.000 -14.206 0.000) 14.206 3.029 ( 0.000 8.631 0.000) 8.631 3.086 ( 0.000 7.207 0.000) 7.207 3.101 ( 0.000 8.078 0.000) 8.078 3.299 ( 0.000 4.945 0.000) 4.945 3.476 ( 0.000 12.197 0.000) 12.197 3.668 ( 0.000 7.017 0.000) 7.017 3.790 ( 0.000 2.889 0.000) 2.889 3.847 ( 0.000 -3.864 0.000) 3.864 3.891 ( 0.000 1.421 0.000) 1.421 4.019 ( 0.000 -2.137 0.000) 2.137 4.269 ( 0.000 5.636 0.000) 5.636 4.450 ( 0.000 -1.081 0.000) 1.081 4.809 ( 0.000 7.967 0.000) 7.967 4.867 ( 0.000 7.493 0.000) 7.493 4.883 ( 0.000 5.691 0.000) 5.691 4.918 ( 0.000 3.065 0.000) 3.065 4.983 ( 0.000 10.278 0.000) 10.278 5.077 ( 0.000 1.388 0.000) 1.388 5.298 ( 0.000 -1.990 0.000) 1.990 5.357 ( 0.000 -1.800 0.000) 1.800 5.726 ( 0.000 -4.836 0.000) 4.836 5.833 ( 0.000 -6.281 0.000) 6.281 5.886 ( 0.000 3.388 0.000) 3.388 5.886 ( 0.000 4.366 0.000) 4.366 6.088 ( 0.000 6.031 0.000) 6.031 6.190 ( 0.000 -3.332 0.000) 3.332 6.236 ( 0.000 -5.304 0.000) 5.304 6.363 ( 0.000 -1.393 0.000) 1.393 6.457 ( 0.000 -4.870 0.000) 4.870 6.526 ( 0.000 -11.032 0.000) 11.032 6.558 ( 0.000 -4.873 0.000) 4.873 6.589 ( 0.000 -6.097 0.000) 6.097 6.686 ( 0.000 3.033 0.000) 3.033 6.828 ( 0.000 0.729 0.000) 0.729 7.008 ( 0.000 -3.089 0.000) 3.089 7.090 ( 0.000 -7.825 0.000) 7.825 7.421 ( 0.000 -3.169 0.000) 3.169 7.477 ( 0.000 -3.697 0.000) 3.697 7.687 ( 0.000 0.161 0.000) 0.161 7.752 ( 0.000 -0.676 0.000) 0.676 7.811 ( 0.000 3.134 0.000) 3.134 7.841 ( 0.000 -1.912 0.000) 1.912 7.894 ( 0.000 -2.002 0.000) 2.002 7.917 ( 0.000 0.302 0.000) 0.302 8.332 ( 0.000 5.804 0.000) 5.804 8.396 ( 0.000 -0.760 0.000) 0.760 8.617 ( 0.000 -6.512 0.000) 6.512 8.670 ( 0.000 -8.985 0.000) 8.985 8.764 ( 0.000 -0.305 0.000) 0.305 8.850 ( 0.000 -7.800 0.000) 7.800 9.255 ( 0.000 10.645 0.000) 10.645 9.333 ( 0.000 1.926 0.000) 1.926 9.516 ( 0.000 -4.210 0.000) 4.210 9.526 ( 0.000 5.424 0.000) 5.424 9.664 ( 0.000 -1.308 0.000) 1.308 9.725 ( 0.000 -4.046 0.000) 4.046 9.809 ( 0.000 6.215 0.000) 6.215 9.977 ( 0.000 0.483 0.000) 0.483 10.124 ( 0.000 -0.681 0.000) 0.681 10.129 ( 0.000 -2.117 0.000) 2.117 10.304 ( 0.000 4.678 0.000) 4.678 10.396 ( 0.000 1.887 0.000) 1.887 10.613 ( 0.000 1.079 0.000) 1.079 10.671 ( 0.000 -5.320 0.000) 5.320 10.751 ( 0.000 -0.624 0.000) 0.624 10.809 ( 0.000 -0.867 0.000) 0.867 11.128 ( 0.000 3.830 0.000) 3.830 11.263 ( 0.000 -3.457 0.000) 3.457 11.281 ( 0.000 2.143 0.000) 2.143 11.468 ( 0.000 -3.412 0.000) 3.412 11.495 ( 0.000 2.345 0.000) 2.345 11.716 ( 0.000 -7.269 0.000) 7.269 11.999 ( 0.000 -1.267 0.000) 1.267 12.046 ( 0.000 -8.931 0.000) 8.931 12.104 ( 0.000 5.629 0.000) 5.629 12.232 ( 0.000 3.749 0.000) 3.749 12.308 ( 0.000 0.927 0.000) 0.927 12.421 ( 0.000 -7.831 0.000) 7.831 12.432 ( 0.000 5.582 0.000) 5.582 12.768 ( 0.000 -6.430 0.000) 6.430 12.896 ( 0.000 3.096 0.000) 3.096 12.918 ( 0.000 2.537 0.000) 2.537 13.175 ( 0.000 4.876 0.000) 4.876 13.237 ( 0.000 2.416 0.000) 2.416 13.414 ( 0.000 -1.295 0.000) 1.295 13.438 ( 0.000 0.902 0.000) 0.902 13.552 ( 0.000 2.846 0.000) 2.846 13.737 ( 0.000 12.304 0.000) 12.304 13.863 ( 0.000 -3.191 0.000) 3.191 14.057 ( 0.000 0.710 0.000) 0.710 14.178 ( 0.000 11.446 0.000) 11.446 14.351 ( 0.000 -5.705 0.000) 5.705 14.576 ( 0.000 -13.282 0.000) 13.282 14.758 ( 0.000 -8.515 0.000) 8.515 14.943 ( 0.000 4.211 0.000) 4.211 14.947 ( 0.000 -2.060 0.000) 2.060 15.574 ( 0.000 17.141 0.000) 17.141 16.325 ( 0.000 4.929 0.000) 4.929 16.364 ( 0.000 -0.217 0.000) 0.217 16.569 ( 0.000 -18.377 0.000) 18.377 16.932 ( 0.000 -5.907 0.000) 5.907 16.933 ( 0.000 1.408 0.000) 1.408 17.560 ( 0.000 5.507 0.000) 5.507 18.012 ( 0.000 -13.569 0.000) 13.569 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 18.440 10.397 -0.076) 21.169 1.914 ( 15.944 7.550 -4.189) 18.132 1.994 ( 17.505 6.498 7.773) 20.226 2.579 ( -0.998 -12.769 -1.035) 12.850 2.963 ( -6.876 8.855 2.828) 11.562 3.005 ( -4.096 4.799 -2.915) 6.950 3.231 ( 8.016 6.551 0.758) 10.380 3.306 ( -0.636 11.481 -6.512) 13.214 3.368 ( -2.634 4.052 1.351) 5.018 3.609 ( -12.854 2.454 0.499) 13.096 3.769 ( 6.722 5.188 1.172) 8.572 3.886 ( 7.348 5.843 1.520) 9.510 3.923 ( -1.372 4.631 1.114) 4.956 4.169 ( 12.448 -1.531 -4.208) 13.229 4.389 ( 9.379 0.077 1.016) 9.434 4.410 ( -3.820 -0.147 0.322) 3.837 4.659 ( -8.825 7.580 -0.701) 11.654 4.843 ( -1.682 3.801 -0.627) 4.203 4.886 ( -0.769 4.824 2.636) 5.551 4.935 ( -0.052 2.469 0.315) 2.490 4.975 ( -1.049 2.253 2.162) 3.294 5.128 ( 3.323 4.758 0.489) 5.824 5.317 ( 3.262 0.103 0.134) 3.266 5.461 ( 8.819 -0.672 -4.065) 9.734 5.699 ( -0.698 -0.573 -1.061) 1.393 5.827 ( -1.586 0.426 3.714) 4.061 5.880 ( -2.648 1.892 -2.468) 4.084 5.924 ( 1.072 -6.749 3.919) 7.877 6.045 ( -3.655 2.948 -1.558) 4.948 6.173 ( 2.030 1.703 -1.804) 3.205 6.249 ( -4.480 -3.899 -0.953) 6.015 6.335 ( -2.568 -1.100 3.338) 4.353 6.428 ( -8.714 -1.262 1.850) 8.997 6.476 ( -5.072 -6.328 0.006) 8.110 6.598 ( 7.299 -4.770 0.906) 8.766 6.642 ( 6.445 -8.476 -1.336) 10.732 6.693 ( 0.962 -0.141 -4.411) 4.517 6.816 ( 1.221 -2.854 0.436) 3.135 7.033 ( 2.304 -0.372 0.883) 2.495 7.112 ( 1.977 -5.849 0.821) 6.228 7.400 ( -0.201 -1.955 -0.368) 1.999 7.513 ( 5.427 -3.006 -3.024) 6.902 7.640 ( -8.416 2.610 0.474) 8.824 7.711 ( -1.705 -3.867 -4.926) 6.490 7.803 ( 4.251 -1.882 -0.045) 4.649 7.857 ( 6.506 -2.306 5.843) 9.043 8.018 ( 4.439 3.112 2.219) 5.858 8.079 ( 8.404 -1.139 6.452) 10.656 8.260 ( -3.493 7.309 -4.760) 9.395 8.386 ( -1.248 -3.931 0.558) 4.162 8.614 ( 0.031 -7.509 -4.085) 8.548 8.697 ( 2.824 -6.618 -3.403) 7.960 8.795 ( 1.332 1.229 5.294) 5.595 8.883 ( 3.303 -6.115 2.826) 7.502 9.157 ( -7.933 7.861 -2.941) 11.549 9.305 ( -3.223 0.982 -1.862) 3.850 9.455 ( -4.157 -0.785 -1.239) 4.408 9.545 ( -1.414 0.892 1.488) 2.238 9.629 ( -2.936 -0.509 4.124) 5.088 9.693 ( -6.737 1.540 -3.013) 7.539 9.717 ( -2.293 -2.421 0.305) 3.349 9.832 ( -7.105 -1.737 -3.459) 8.091 10.143 ( -0.281 1.001 2.044) 2.293 10.206 ( 1.168 -1.732 -2.303) 3.109 10.344 ( 3.581 3.745 4.425) 6.814 10.469 ( 5.480 0.802 1.508) 5.740 10.613 ( 2.020 1.673 -3.744) 4.572 10.687 ( 2.455 -2.811 2.454) 4.467 10.795 ( 2.001 -0.205 1.767) 2.678 10.873 ( 5.247 -3.217 1.273) 6.285 11.077 ( -4.667 2.928 0.130) 5.511 11.173 ( -2.731 1.876 0.378) 3.335 11.318 ( 0.120 -1.525 -0.489) 1.606 11.500 ( 4.335 -4.727 -6.324) 9.007 11.571 ( 5.720 2.485 0.213) 6.240 11.759 ( 3.722 -5.910 0.443) 6.998 11.995 ( 0.204 -0.511 -2.026) 2.100 12.037 ( -3.146 -3.802 2.564) 5.561 12.111 ( 0.588 4.545 0.922) 4.675 12.203 ( -2.936 0.558 1.149) 3.202 12.308 ( 0.019 0.973 0.030) 0.973 12.423 ( 0.274 -5.628 0.631) 5.670 12.442 ( 2.211 3.727 -2.615) 5.062 12.740 ( -2.223 -6.767 -1.981) 7.393 12.868 ( -3.047 3.969 1.955) 5.372 12.937 ( 0.493 1.736 3.993) 4.382 13.200 ( 1.297 4.984 3.572) 6.268 13.257 ( 1.170 2.262 1.821) 3.131 13.348 ( -5.622 4.387 1.680) 7.326 13.462 ( -0.543 -1.745 5.482) 5.779 13.541 ( 1.008 -0.373 -4.983) 5.098 13.733 ( -4.201 0.983 -0.978) 4.424 13.848 ( 3.002 8.674 1.404) 9.286 14.049 ( -1.448 5.317 -6.240) 8.325 14.079 ( -4.466 1.749 -2.933) 5.622 14.348 ( -4.483 -2.691 -0.038) 5.229 14.481 ( -5.550 -9.956 -2.839) 11.747 14.655 ( -2.456 -5.671 2.323) 6.603 15.058 ( 11.036 8.181 2.730) 14.007 15.231 ( 15.763 -4.321 3.444) 16.703 15.529 ( -0.622 10.166 -7.136) 12.436 16.199 ( -6.261 -2.349 -15.703) 17.067 16.398 ( 0.628 1.525 5.289) 5.540 16.592 ( -1.907 -12.800 9.165) 15.858 16.937 ( 2.546 -0.105 -3.400) 4.249 16.958 ( -0.417 -3.281 6.315) 7.129 17.539 ( -1.673 3.833 -0.662) 4.234 17.926 ( -7.990 -11.800 -0.943) 14.282 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 7.695 11.532 3.891) 14.400 2.234 ( 12.261 4.065 -1.885) 13.054 2.447 ( 19.198 4.041 3.662) 19.958 2.589 ( 3.314 -3.858 -4.072) 6.516 2.807 ( -9.167 2.578 -0.595) 9.541 2.890 ( -5.691 0.586 0.711) 5.765 3.132 ( -8.162 13.136 -3.036) 15.761 3.329 ( -8.006 6.769 0.044) 10.484 3.532 ( 18.143 4.276 -0.455) 18.646 3.595 ( 18.024 4.590 -1.343) 18.648 3.853 ( -0.066 10.003 1.479) 10.112 3.936 ( 6.562 7.302 -1.809) 9.983 4.046 ( 4.517 6.564 1.216) 8.060 4.308 ( 1.229 -2.459 -4.526) 5.295 4.381 ( 3.795 1.921 0.169) 4.257 4.537 ( 0.544 3.343 1.370) 3.654 4.602 ( 6.788 -4.317 2.766) 8.507 4.752 ( -7.163 -3.141 3.940) 8.758 4.921 ( 3.359 5.843 0.885) 6.798 4.985 ( 4.701 3.406 2.535) 6.334 5.045 ( 7.113 -0.525 -0.800) 7.177 5.166 ( 1.265 0.561 1.884) 2.338 5.374 ( 2.220 3.220 -3.015) 4.939 5.569 ( 2.939 -1.277 -2.860) 4.295 5.676 ( -2.504 1.187 -1.158) 3.003 5.773 ( -6.843 2.618 -0.547) 7.348 5.815 ( -3.882 -1.002 5.173) 6.545 5.877 ( -9.148 0.142 0.370) 9.157 5.923 ( -6.393 -6.847 0.487) 9.380 6.103 ( -15.247 -5.073 2.574) 16.274 6.155 ( -3.615 1.641 -5.271) 6.599 6.183 ( -2.160 -0.077 -3.857) 4.421 6.348 ( -1.440 -3.139 1.827) 3.907 6.429 ( -2.622 -1.345 3.685) 4.718 6.671 ( 4.485 0.743 -0.819) 4.619 6.677 ( 0.625 -1.616 -4.221) 4.563 6.764 ( 6.397 0.624 4.104) 7.626 6.980 ( 8.747 -8.353 -0.073) 12.095 7.087 ( 2.197 0.803 1.083) 2.578 7.179 ( 5.250 -4.902 -1.286) 7.296 7.434 ( 0.456 1.669 -1.371) 2.207 7.511 ( -1.035 1.519 1.954) 2.683 7.575 ( -0.090 -1.858 -0.110) 1.863 7.720 ( 6.694 -5.494 -6.233) 10.670 7.922 ( 7.512 -1.595 -2.082) 7.956 8.000 ( 3.237 -0.179 2.510) 4.100 8.040 ( -2.072 2.765 1.378) 3.720 8.194 ( 2.112 3.744 -0.789) 4.370 8.270 ( 4.463 -2.804 6.401) 8.292 8.376 ( -1.348 -6.124 2.920) 6.917 8.605 ( 2.541 -4.913 -5.450) 7.765 8.650 ( -5.137 -1.755 -3.660) 6.547 8.838 ( -2.773 3.801 5.638) 7.343 8.952 ( -3.358 -2.062 0.816) 4.024 9.072 ( 5.903 -0.742 1.866) 6.235 9.196 ( -2.989 -3.656 -3.353) 5.792 9.340 ( -6.571 2.206 1.400) 7.071 9.502 ( -1.712 -4.113 -2.056) 4.907 9.536 ( -5.261 2.248 -2.603) 6.285 9.604 ( -6.617 0.281 -1.624) 6.819 9.694 ( 4.708 -3.387 1.206) 5.923 9.773 ( -0.297 -5.211 1.739) 5.501 10.084 ( -5.477 1.163 -0.633) 5.635 10.177 ( -1.984 -2.675 -3.078) 4.535 10.422 ( 0.419 2.131 5.980) 6.362 10.553 ( 1.401 -1.376 2.968) 3.559 10.687 ( 7.210 2.037 -4.041) 8.512 10.756 ( 2.309 -0.140 1.395) 2.701 10.840 ( 0.764 2.658 4.852) 5.585 10.976 ( 3.920 -4.081 -0.231) 5.664 11.019 ( 0.454 1.589 -1.788) 2.434 11.181 ( 2.857 -2.579 1.884) 4.285 11.311 ( 0.545 1.830 -2.822) 3.408 11.539 ( 2.313 -5.962 -4.701) 7.937 11.639 ( 0.430 3.237 -0.309) 3.280 11.820 ( 0.823 -3.772 -1.245) 4.056 11.961 ( -3.421 1.617 3.037) 4.852 11.987 ( -0.089 -0.947 -2.737) 2.897 12.090 ( -2.744 4.250 -0.226) 5.064 12.180 ( -0.051 -2.071 1.930) 2.831 12.309 ( -0.440 1.400 1.980) 2.465 12.426 ( -0.195 -3.685 -0.031) 3.691 12.508 ( 5.653 0.463 -3.185) 6.504 12.667 ( -3.362 -5.997 -2.983) 7.494 12.820 ( -3.381 6.057 4.241) 8.130 12.969 ( -0.627 1.553 4.818) 5.101 13.232 ( -4.238 6.189 2.153) 7.803 13.270 ( 1.407 3.789 4.551) 6.087 13.294 ( 0.322 3.736 1.406) 4.005 13.466 ( -0.423 -1.244 0.917) 1.603 13.531 ( 1.331 -1.901 -6.417) 6.824 13.657 ( -3.442 -3.841 5.068) 7.231 13.904 ( -4.553 2.196 -5.633) 7.569 13.969 ( 3.515 10.368 4.464) 11.822 14.003 ( -3.928 -1.089 -2.968) 5.043 14.208 ( -2.585 0.548 -7.596) 8.042 14.447 ( -0.380 -3.438 3.224) 4.728 14.674 ( 0.697 -2.211 3.252) 3.994 15.170 ( -1.498 18.200 0.510) 18.269 15.537 ( 14.868 -3.733 -2.298) 15.501 15.610 ( 12.331 -6.317 -4.820) 14.669 15.955 ( -6.637 -9.224 -14.806) 18.664 16.418 ( -2.851 1.770 6.181) 7.033 16.552 ( -8.702 -7.101 9.643) 14.803 16.976 ( 1.979 0.652 0.420) 2.126 16.998 ( 2.521 -3.286 0.323) 4.155 17.506 ( -1.011 0.247 -0.388) 1.111 17.733 ( -10.062 -7.849 -0.894) 12.793 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 8.047 6.216 4.049) 10.945 2.325 ( -0.705 0.300 -1.502) 1.686 2.539 ( -3.742 5.921 -0.992) 7.074 2.611 ( -2.275 2.190 -2.787) 4.212 2.768 ( 5.120 2.171 0.219) 5.565 2.869 ( 0.348 1.992 2.079) 2.900 3.008 ( -0.329 12.638 -2.189) 12.830 3.153 ( -8.491 7.402 0.244) 11.268 3.754 ( 1.085 15.352 0.456) 15.397 3.930 ( 7.438 7.260 -2.359) 10.658 4.027 ( 15.954 0.330 -1.347) 16.014 4.081 ( 4.485 9.123 -1.913) 10.345 4.119 ( 10.950 3.077 2.649) 11.678 4.297 ( -1.246 1.031 1.627) 2.295 4.442 ( 4.624 -3.785 -3.478) 6.914 4.568 ( 0.460 -2.441 -0.605) 2.556 4.629 ( -7.018 -4.362 4.693) 9.503 4.700 ( -0.862 -2.917 1.817) 3.543 4.990 ( 1.932 8.379 0.216) 8.601 5.094 ( 3.855 4.044 1.425) 5.766 5.224 ( 7.478 1.929 0.353) 7.730 5.261 ( 10.643 -2.634 2.210) 11.184 5.371 ( -1.594 -0.379 -2.632) 3.100 5.477 ( -9.084 -2.339 -1.141) 9.450 5.530 ( -11.483 4.507 -0.363) 12.341 5.649 ( -1.647 1.912 2.462) 3.526 5.694 ( -4.300 -0.335 -0.949) 4.416 5.773 ( -9.415 -0.486 1.320) 9.520 5.819 ( -5.446 -2.368 0.117) 5.939 5.824 ( -2.326 -7.335 -2.428) 8.069 6.111 ( 0.027 -5.322 -0.278) 5.330 6.162 ( -1.425 -5.247 -3.884) 6.682 6.284 ( -2.160 3.807 1.176) 4.532 6.423 ( -0.531 -2.270 2.500) 3.419 6.705 ( 3.147 2.303 -1.374) 4.135 6.801 ( 4.748 0.796 1.723) 5.113 6.892 ( 4.157 0.244 1.679) 4.490 7.044 ( 0.087 -8.238 0.267) 8.243 7.134 ( 1.717 3.711 0.068) 4.090 7.217 ( -0.194 0.068 -1.540) 1.554 7.361 ( -4.641 1.221 -1.409) 5.002 7.611 ( 4.613 1.796 2.792) 5.683 7.634 ( 7.869 -3.246 -1.646) 8.670 7.786 ( 1.244 3.740 -2.085) 4.459 7.909 ( -8.044 -1.126 2.720) 8.565 8.050 ( 7.213 4.008 -7.533) 11.173 8.112 ( 4.969 1.576 -1.221) 5.354 8.249 ( 0.867 -5.768 1.590) 6.045 8.289 ( -4.114 -5.792 3.339) 7.849 8.395 ( 0.769 -7.812 4.657) 9.128 8.554 ( 0.789 1.072 -2.745) 3.051 8.645 ( -1.133 -5.314 -0.498) 5.456 8.701 ( -6.120 -1.101 0.738) 6.262 8.896 ( -4.458 -3.763 1.563) 6.040 9.170 ( 6.798 1.360 1.053) 7.012 9.263 ( 0.831 -1.926 0.624) 2.188 9.309 ( 4.191 2.541 1.638) 5.168 9.400 ( -5.141 -0.879 -3.333) 6.190 9.454 ( -4.061 2.887 -1.967) 5.357 9.506 ( -1.165 -2.069 -0.922) 2.547 9.795 ( 0.856 -5.092 2.053) 5.557 9.812 ( 5.391 -6.441 0.092) 8.400 9.966 ( -4.644 -0.865 -1.098) 4.850 10.099 ( -3.728 -4.879 -1.406) 6.299 10.440 ( -0.636 1.730 2.630) 3.211 10.575 ( -0.250 -2.228 1.721) 2.826 10.769 ( 1.848 0.530 -2.453) 3.116 10.804 ( 2.509 0.499 0.962) 2.733 10.870 ( -0.083 7.327 2.580) 7.768 11.004 ( 0.228 1.248 0.493) 1.362 11.098 ( 7.437 -5.044 -2.992) 9.472 11.216 ( -2.792 -6.454 0.411) 7.044 11.350 ( 5.607 2.285 -0.329) 6.063 11.486 ( -6.312 -3.111 0.227) 7.041 11.617 ( -0.711 2.204 -0.966) 2.509 11.772 ( -2.030 -0.551 -1.513) 2.591 11.967 ( 0.436 0.841 1.595) 1.855 11.979 ( 0.601 -1.515 -1.604) 2.287 12.057 ( -0.227 2.921 -0.699) 3.012 12.191 ( -0.076 -1.553 0.843) 1.769 12.319 ( 0.249 1.162 1.590) 1.985 12.421 ( -0.588 -2.792 1.117) 3.064 12.557 ( 0.147 -2.001 -2.565) 3.256 12.612 ( 0.170 -3.523 -1.820) 3.969 12.812 ( 0.614 7.343 2.282) 7.714 12.942 ( -3.777 2.961 2.442) 5.385 13.183 ( -0.209 6.563 -0.998) 6.642 13.298 ( -0.284 8.488 2.210) 8.776 13.349 ( 2.518 1.502 1.827) 3.455 13.470 ( -0.980 -4.041 4.726) 6.294 13.506 ( 0.567 -2.667 -8.328) 8.763 13.637 ( -1.555 -1.912 3.308) 4.125 13.790 ( -2.974 -0.951 -2.454) 3.971 13.908 ( -2.375 -7.428 -0.278) 7.804 14.082 ( 2.477 8.271 2.331) 8.943 14.180 ( 2.044 7.484 -3.436) 8.485 14.493 ( 2.734 3.276 6.614) 7.871 14.630 ( -4.933 6.370 -6.074) 10.090 15.220 ( 6.129 3.879 11.011) 13.186 15.483 ( -9.669 -1.124 -16.404) 19.074 15.892 ( 15.488 -10.356 -4.769) 19.232 15.963 ( 6.294 -11.706 0.776) 13.313 16.348 ( -7.332 0.791 4.249) 8.511 16.398 ( -8.537 -1.262 4.484) 9.725 17.014 ( 1.341 -0.969 0.513) 1.732 17.036 ( 1.116 -2.273 -0.907) 2.689 17.505 ( 1.315 -2.300 -0.158) 2.654 17.570 ( -5.813 -4.275 -0.075) 7.216 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 -5.320 0.000) 5.320 1.608 ( 0.000 5.320 0.000) 5.320 2.262 ( 0.000 -18.381 0.000) 18.381 2.262 ( 0.000 18.381 0.000) 18.381 3.131 ( 0.000 -2.038 0.000) 2.038 3.131 ( 0.000 2.038 0.000) 2.038 3.269 ( 0.000 -6.429 0.000) 6.429 3.269 ( 0.000 6.429 0.000) 6.429 3.711 ( 0.000 -8.823 0.000) 8.823 3.711 ( 0.000 8.823 0.000) 8.823 3.787 ( 0.000 -2.892 0.000) 2.892 3.787 ( 0.000 2.892 0.000) 2.892 3.948 ( 0.000 -4.154 0.000) 4.154 3.948 ( 0.000 4.154 0.000) 4.154 4.382 ( 0.000 -4.964 0.000) 4.964 4.382 ( 0.000 4.964 0.000) 4.964 4.924 ( 0.000 -2.794 0.000) 2.794 4.924 ( 0.000 2.794 0.000) 2.794 4.945 ( 0.000 -0.758 0.000) 0.758 4.945 ( 0.000 0.758 0.000) 0.758 5.152 ( 0.000 -0.901 0.000) 0.901 5.152 ( 0.000 0.901 0.000) 0.901 5.254 ( 0.000 -3.886 0.000) 3.886 5.254 ( 0.000 3.886 0.000) 3.886 5.714 ( 0.000 -3.398 0.000) 3.398 5.714 ( 0.000 3.398 0.000) 3.398 5.939 ( 0.000 -1.334 0.000) 1.334 5.939 ( 0.000 1.334 0.000) 1.334 6.147 ( 0.000 -1.702 0.000) 1.702 6.147 ( 0.000 1.702 0.000) 1.702 6.279 ( 0.000 -10.971 0.000) 10.971 6.279 ( 0.000 10.971 0.000) 10.971 6.392 ( 0.000 -3.355 0.000) 3.355 6.392 ( 0.000 3.355 0.000) 3.355 6.512 ( 0.000 -0.831 0.000) 0.831 6.512 ( 0.000 0.831 0.000) 0.831 6.787 ( 0.000 -4.830 0.000) 4.830 6.787 ( 0.000 4.830 0.000) 4.830 6.983 ( 0.000 -1.774 0.000) 1.774 6.983 ( 0.000 1.774 0.000) 1.774 7.400 ( 0.000 -2.162 0.000) 2.162 7.400 ( 0.000 2.162 0.000) 2.162 7.702 ( 0.000 -1.862 0.000) 1.862 7.702 ( 0.000 1.862 0.000) 1.862 7.857 ( 0.000 -0.180 0.000) 0.180 7.857 ( 0.000 0.180 0.000) 0.180 7.911 ( 0.000 -0.822 0.000) 0.822 7.911 ( 0.000 0.822 0.000) 0.822 8.419 ( 0.000 -0.438 0.000) 0.438 8.419 ( 0.000 0.438 0.000) 0.438 8.512 ( 0.000 -0.410 0.000) 0.410 8.512 ( 0.000 0.410 0.000) 0.410 8.766 ( 0.000 -1.525 0.000) 1.525 8.766 ( 0.000 1.525 0.000) 1.525 9.389 ( 0.000 -2.667 0.000) 2.667 9.389 ( 0.000 2.667 0.000) 2.667 9.530 ( 0.000 -8.351 0.000) 8.351 9.530 ( 0.000 8.351 0.000) 8.351 9.643 ( 0.000 -3.827 0.000) 3.827 9.643 ( 0.000 3.827 0.000) 3.827 9.928 ( 0.000 -4.930 0.000) 4.930 9.928 ( 0.000 4.930 0.000) 4.930 10.112 ( 0.000 -0.259 0.000) 0.259 10.112 ( 0.000 0.259 0.000) 0.259 10.387 ( 0.000 -2.863 0.000) 2.863 10.387 ( 0.000 2.863 0.000) 2.863 10.614 ( 0.000 -0.345 0.000) 0.345 10.614 ( 0.000 0.345 0.000) 0.345 10.777 ( 0.000 -2.125 0.000) 2.125 10.777 ( 0.000 2.125 0.000) 2.125 11.194 ( 0.000 -3.115 0.000) 3.115 11.194 ( 0.000 3.115 0.000) 3.115 11.374 ( 0.000 -5.758 0.000) 5.758 11.374 ( 0.000 5.758 0.000) 5.758 11.573 ( 0.000 -5.606 0.000) 5.606 11.573 ( 0.000 5.606 0.000) 5.606 11.961 ( 0.000 -0.042 0.000) 0.042 11.961 ( 0.000 0.042 0.000) 0.042 12.249 ( 0.000 -8.365 0.000) 8.365 12.249 ( 0.000 8.365 0.000) 8.365 12.300 ( 0.000 -1.822 0.000) 1.822 12.300 ( 0.000 1.822 0.000) 1.822 12.599 ( 0.000 -9.542 0.000) 9.542 12.599 ( 0.000 9.542 0.000) 9.542 12.938 ( 0.000 -0.648 0.000) 0.648 12.938 ( 0.000 0.648 0.000) 0.648 13.253 ( 0.000 -1.818 0.000) 1.818 13.253 ( 0.000 1.818 0.000) 1.818 13.387 ( 0.000 -0.819 0.000) 0.819 13.387 ( 0.000 0.819 0.000) 0.819 13.715 ( 0.000 -8.358 0.000) 8.358 13.715 ( 0.000 8.358 0.000) 8.358 13.996 ( 0.000 -7.795 0.000) 7.795 13.996 ( 0.000 7.795 0.000) 7.795 14.336 ( 0.000 -6.285 0.000) 6.285 14.336 ( 0.000 6.285 0.000) 6.285 14.472 ( 0.000 -15.710 0.000) 15.710 14.472 ( 0.000 15.710 0.000) 15.710 14.973 ( 0.000 -0.881 0.000) 0.881 14.973 ( 0.000 0.881 0.000) 0.881 16.045 ( 0.000 -26.290 0.000) 26.290 16.045 ( 0.000 26.290 0.000) 26.290 16.380 ( 0.000 -1.232 0.000) 1.232 16.380 ( 0.000 1.232 0.000) 1.232 16.925 ( 0.000 -1.594 0.000) 1.594 16.925 ( 0.000 1.594 0.000) 1.594 17.747 ( 0.000 -11.963 0.000) 11.963 17.747 ( 0.000 11.963 0.000) 11.963 ======================= Grid point 37 (22/108) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 22.581 -5.112 -1.238) 23.186 1.878 ( 22.581 5.112 -1.238) 23.186 2.283 ( 3.195 -15.562 2.086) 16.023 2.283 ( 3.195 15.562 2.086) 16.023 3.057 ( -7.571 -0.688 -0.397) 7.613 3.057 ( -7.571 0.688 -0.397) 7.613 3.331 ( 7.014 -3.511 0.387) 7.853 3.331 ( 7.014 3.511 0.387) 7.853 3.545 ( -10.115 -7.887 -1.791) 12.951 3.545 ( -10.115 7.887 -1.791) 12.951 3.871 ( 7.564 -3.856 -1.096) 8.560 3.871 ( 7.564 3.856 -1.096) 8.560 4.091 ( 7.975 -7.220 0.441) 10.766 4.091 ( 7.975 7.220 0.441) 10.766 4.389 ( 1.574 -0.606 1.210) 2.076 4.389 ( 1.574 0.606 1.210) 2.076 4.814 ( -9.742 -6.122 1.079) 11.556 4.814 ( -9.742 6.122 1.079) 11.556 4.938 ( 0.368 -0.436 0.554) 0.795 4.938 ( 0.368 0.436 0.554) 0.795 5.104 ( -1.986 -6.512 1.142) 6.903 5.104 ( -1.986 6.512 1.142) 6.903 5.385 ( 9.494 -5.953 -3.501) 11.740 5.385 ( 9.494 5.953 -3.501) 11.740 5.759 ( 2.234 -5.648 1.891) 6.361 5.759 ( 2.234 5.648 1.891) 6.361 5.868 ( -4.687 -1.373 1.522) 5.116 5.868 ( -4.687 1.373 1.522) 5.116 6.155 ( -7.198 -6.261 -3.013) 10.004 6.155 ( -7.198 6.261 -3.012) 10.004 6.262 ( 4.460 -5.832 -0.317) 7.349 6.262 ( 4.460 5.832 -0.317) 7.349 6.411 ( -5.636 -3.137 1.523) 6.628 6.411 ( -5.636 3.137 1.523) 6.628 6.536 ( 7.428 -2.256 2.635) 8.197 6.536 ( 7.428 2.256 2.635) 8.197 6.744 ( -0.667 -3.729 -3.735) 5.320 6.744 ( -0.667 3.729 -3.735) 5.320 7.044 ( 3.594 -1.597 0.736) 4.001 7.044 ( 3.594 1.597 0.736) 4.001 7.415 ( 4.110 -3.837 -1.352) 5.783 7.415 ( 4.110 3.837 -1.352) 5.783 7.679 ( -7.253 -0.814 -0.950) 7.360 7.679 ( -7.253 0.814 -0.950) 7.360 7.807 ( 5.305 -1.457 2.540) 6.060 7.807 ( 5.305 1.457 2.540) 6.060 8.079 ( 7.653 -1.909 3.203) 8.513 8.079 ( 7.653 1.909 3.203) 8.513 8.351 ( -4.497 -2.008 -0.901) 5.006 8.351 ( -4.497 2.008 -0.901) 5.006 8.541 ( 2.927 -4.569 -4.686) 7.170 8.541 ( 2.927 4.569 -4.686) 7.170 8.816 ( 3.998 -1.660 3.512) 5.574 8.816 ( 3.998 1.660 3.512) 5.574 9.307 ( -7.588 -2.443 -3.245) 8.607 9.307 ( -7.588 2.443 -3.245) 8.607 9.489 ( -4.521 -6.190 2.663) 8.114 9.489 ( -4.521 6.190 2.663) 8.114 9.628 ( -2.459 -3.103 2.272) 4.565 9.628 ( -2.459 3.103 2.272) 4.565 9.783 ( -7.099 -3.494 -4.973) 9.345 9.783 ( -7.099 3.494 -4.973) 9.345 10.170 ( 0.842 -1.649 0.371) 1.888 10.170 ( 0.842 1.649 0.371) 1.888 10.431 ( 2.870 -3.967 3.175) 5.836 10.431 ( 2.870 3.967 3.175) 5.836 10.647 ( 4.218 -1.840 -1.717) 4.912 10.647 ( 4.218 1.840 -1.717) 4.912 10.816 ( 2.755 -2.142 2.005) 4.025 10.816 ( 2.755 2.142 2.005) 4.025 11.145 ( -4.041 -3.424 0.804) 5.357 11.145 ( -4.041 3.424 0.804) 5.357 11.383 ( 2.258 -6.176 -3.779) 7.585 11.383 ( 2.258 6.176 -3.779) 7.585 11.643 ( 5.329 -4.773 0.732) 7.192 11.643 ( 5.329 4.773 0.732) 7.192 11.979 ( 0.932 -1.184 0.346) 1.546 11.979 ( 0.932 1.184 0.346) 1.546 12.212 ( -3.532 -3.498 1.219) 5.119 12.212 ( -3.532 3.498 1.219) 5.119 12.323 ( 1.803 -1.944 0.204) 2.659 12.323 ( 1.803 1.944 0.204) 2.659 12.580 ( -0.759 -8.374 -2.889) 8.891 12.580 ( -0.759 8.374 -2.889) 8.891 12.933 ( -1.422 -1.989 3.773) 4.496 12.933 ( -1.422 1.989 3.773) 4.496 13.267 ( 1.293 -1.470 -0.128) 1.962 13.267 ( 1.293 1.470 -0.128) 1.962 13.403 ( -1.027 -2.272 7.087) 7.513 13.403 ( -1.027 2.272 7.087) 7.513 13.632 ( -5.396 -6.848 -2.247) 9.003 13.632 ( -5.396 6.848 -2.247) 9.003 14.049 ( 2.916 -3.949 -0.849) 4.982 14.049 ( 2.916 3.949 -0.849) 4.982 14.207 ( -6.868 -10.775 -8.574) 15.387 14.207 ( -6.868 10.775 -8.574) 15.387 14.472 ( -0.168 -9.535 3.165) 10.048 14.472 ( -0.168 9.535 3.165) 10.048 15.158 ( 14.553 -3.620 4.105) 15.548 15.158 ( 14.553 3.620 4.105) 15.548 15.909 ( -7.922 -22.095 -13.529) 27.092 15.909 ( -7.922 22.095 -13.529) 27.092 16.437 ( 0.819 -2.798 9.332) 9.777 16.437 ( 0.819 2.798 9.332) 9.777 16.940 ( 1.208 -1.181 0.934) 1.930 16.940 ( 1.208 1.181 0.934) 1.930 17.693 ( -4.774 -10.430 -1.069) 11.520 17.693 ( -4.774 10.430 -1.069) 11.520 ======================= Grid point 39 (23/108) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 6.337 -8.877 -0.208) 10.909 2.161 ( 6.337 8.877 -0.208) 10.909 2.522 ( 16.888 -3.337 0.873) 17.237 2.522 ( 16.888 3.337 0.873) 17.237 2.863 ( -10.236 -2.575 -0.653) 10.575 2.863 ( -10.236 2.575 -0.653) 10.575 3.355 ( -8.617 -6.406 -1.287) 10.814 3.355 ( -8.617 6.406 -1.287) 10.814 3.583 ( 19.048 -2.913 -0.319) 19.272 3.583 ( 19.048 2.913 -0.319) 19.272 4.020 ( 7.693 -6.747 -1.577) 10.353 4.020 ( 7.693 6.747 -1.577) 10.354 4.166 ( 1.648 -10.908 -2.011) 11.214 4.166 ( 1.648 10.908 -2.011) 11.214 4.490 ( 4.722 -6.697 4.216) 9.215 4.490 ( 4.722 6.697 4.216) 9.215 4.645 ( -7.431 -6.247 1.802) 9.874 4.645 ( -7.431 6.247 1.802) 9.874 4.986 ( 5.549 -1.559 -0.005) 5.764 4.986 ( 5.549 1.559 -0.005) 5.764 5.118 ( 2.469 -4.537 2.105) 5.577 5.118 ( 2.469 4.537 2.105) 5.577 5.487 ( 1.792 -6.409 -2.903) 7.261 5.487 ( 1.792 6.409 -2.903) 7.261 5.753 ( -1.998 -4.589 -2.592) 5.636 5.753 ( -1.998 4.589 -2.592) 5.636 5.811 ( -5.369 -1.720 3.976) 6.899 5.811 ( -5.369 1.720 3.976) 6.899 5.958 ( -12.300 -6.642 0.950) 14.011 5.958 ( -12.300 6.642 0.950) 14.011 6.180 ( -6.631 -1.089 -4.595) 8.141 6.180 ( -6.631 1.089 -4.595) 8.141 6.372 ( -1.126 -4.075 2.885) 5.119 6.372 ( -1.126 4.075 2.885) 5.119 6.658 ( 3.868 -0.767 -0.598) 3.988 6.658 ( 3.868 0.767 -0.598) 3.988 6.839 ( 9.394 -5.476 0.314) 10.878 6.839 ( 9.394 5.476 0.314) 10.878 7.117 ( 4.875 -1.779 -0.141) 5.191 7.117 ( 4.875 1.779 -0.141) 5.191 7.521 ( -1.137 -3.410 -2.377) 4.309 7.521 ( -1.137 3.410 -2.377) 4.309 7.568 ( 4.104 -4.176 1.941) 6.168 7.568 ( 4.104 4.176 1.941) 6.168 7.953 ( 8.378 -2.824 -0.862) 8.883 7.953 ( 8.378 2.824 -0.862) 8.883 8.145 ( -2.952 -6.642 0.959) 7.332 8.145 ( -2.952 6.642 0.959) 7.332 8.306 ( -0.676 -2.873 3.639) 4.685 8.306 ( -0.676 2.873 3.639) 4.685 8.557 ( 1.964 -3.098 -5.402) 6.529 8.557 ( 1.964 3.098 -5.402) 6.529 8.926 ( 0.394 -2.308 4.459) 5.036 8.926 ( 0.394 2.308 4.459) 5.036 9.111 ( -5.742 -4.834 -1.814) 7.722 9.111 ( -5.742 4.834 -1.814) 7.722 9.415 ( -3.285 -4.639 0.818) 5.743 9.415 ( -3.285 4.639 0.818) 5.743 9.561 ( -3.661 -1.673 -2.181) 4.579 9.561 ( -3.661 1.673 -2.181) 4.579 9.703 ( -0.348 -2.122 0.377) 2.183 9.703 ( -0.348 2.122 0.377) 2.183 10.125 ( -4.317 -2.477 -2.284) 5.477 10.125 ( -4.317 2.477 -2.284) 5.477 10.490 ( 0.138 -3.970 5.144) 6.499 10.490 ( 0.138 3.970 5.144) 6.499 10.737 ( 5.571 -2.340 -3.234) 6.854 10.737 ( 5.571 2.340 -3.234) 6.854 10.896 ( 3.867 -2.958 3.350) 5.910 10.896 ( 3.867 2.958 3.350) 5.910 11.090 ( -1.444 -4.753 0.229) 4.973 11.090 ( -1.444 4.753 0.229) 4.973 11.411 ( 2.363 -6.361 -3.406) 7.593 11.411 ( 2.363 6.361 -3.406) 7.593 11.723 ( 1.268 -4.942 0.230) 5.107 11.723 ( 1.268 4.942 0.230) 5.107 11.972 ( -1.406 -0.784 0.109) 1.614 11.972 ( -1.406 0.784 0.109) 1.614 12.159 ( -1.719 -1.578 0.138) 2.338 12.159 ( -1.719 1.578 0.138) 2.338 12.356 ( 0.714 -3.275 1.062) 3.517 12.356 ( 0.714 3.275 1.062) 3.517 12.553 ( 0.372 -4.303 -3.503) 5.560 12.553 ( 0.372 4.303 -3.503) 5.560 12.935 ( -1.539 -4.497 5.925) 7.596 12.935 ( -1.539 4.497 5.925) 7.596 13.284 ( 0.871 -0.806 -2.155) 2.460 13.284 ( 0.871 0.806 -2.155) 2.460 13.419 ( -2.371 -4.667 9.984) 11.273 13.419 ( -2.371 4.667 9.984) 11.273 13.551 ( -0.715 -4.630 -3.663) 5.947 13.551 ( -0.715 4.630 -3.663) 5.947 13.942 ( -8.501 -2.364 -4.339) 9.832 13.942 ( -8.501 2.364 -4.339) 9.832 14.169 ( 3.818 -6.037 -4.194) 8.283 14.169 ( 3.818 6.037 -4.194) 8.283 14.523 ( 2.942 -9.944 6.451) 12.212 14.523 ( 2.942 9.944 6.451) 12.212 15.493 ( 16.551 -3.254 1.429) 16.928 15.493 ( 16.551 3.254 1.429) 16.928 15.633 ( -10.406 -17.112 -14.456) 24.700 15.633 ( -10.406 17.112 -14.456) 24.700 16.463 ( -4.487 -2.713 8.792) 10.237 16.463 ( -4.487 2.713 8.792) 10.237 16.977 ( 2.026 -0.238 0.338) 2.068 16.977 ( 2.026 0.238 0.338) 2.068 17.580 ( -5.324 -6.436 -1.191) 8.437 17.580 ( -5.324 6.436 -1.191) 8.437 ======================= Grid point 41 (24/108) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 3.689 -5.701 0.793) 6.837 2.256 ( 3.689 5.701 0.793) 6.837 2.604 ( -5.453 -1.844 -1.327) 5.907 2.604 ( -5.453 1.844 -1.327) 5.907 2.854 ( 6.975 -3.812 0.584) 7.970 2.854 ( 6.975 3.812 0.584) 7.970 3.194 ( -6.259 -4.115 -0.880) 7.542 3.194 ( -6.259 4.115 -0.880) 7.542 3.951 ( 12.225 -4.696 0.160) 13.097 3.951 ( 12.225 4.696 0.160) 13.097 4.107 ( 2.647 -4.796 -2.757) 6.133 4.107 ( 2.647 4.796 -2.757) 6.133 4.248 ( 9.723 -5.042 -0.328) 10.957 4.248 ( 9.723 5.042 -0.328) 10.957 4.460 ( -8.447 -7.354 3.296) 11.674 4.460 ( -8.447 7.354 3.296) 11.674 4.618 ( 1.123 -3.143 0.568) 3.385 4.618 ( 1.123 3.143 0.568) 3.385 5.143 ( 8.813 -6.261 -2.310) 11.054 5.143 ( 8.813 6.261 -2.310) 11.054 5.201 ( 1.998 -5.380 4.934) 7.569 5.201 ( 1.998 5.380 4.934) 7.569 5.427 ( -4.614 -3.426 -1.663) 5.982 5.427 ( -4.614 3.426 -1.663) 5.982 5.628 ( -8.629 -6.503 -1.562) 10.917 5.628 ( -8.629 6.503 -1.562) 10.917 5.705 ( -1.680 -1.698 -0.575) 2.457 5.705 ( -1.680 1.698 -0.575) 2.457 5.784 ( -6.469 -2.390 2.986) 7.515 5.784 ( -6.469 2.390 2.986) 7.515 6.072 ( -1.948 -2.260 -3.736) 4.781 6.072 ( -1.948 2.260 -3.736) 4.781 6.364 ( -0.590 -3.506 1.946) 4.053 6.364 ( -0.590 3.506 1.946) 4.053 6.754 ( 4.412 -2.911 0.254) 5.292 6.754 ( 4.412 2.911 0.254) 5.292 6.939 ( 1.378 -3.025 0.542) 3.368 6.939 ( 1.378 3.025 0.542) 3.368 7.197 ( 1.511 -1.974 -1.447) 2.877 7.197 ( 1.511 1.974 -1.447) 2.877 7.478 ( 0.498 -8.390 0.347) 8.412 7.478 ( 0.498 8.390 0.347) 8.412 7.727 ( 7.491 -6.514 1.113) 9.990 7.727 ( 7.491 6.514 1.113) 9.990 8.006 ( -5.487 -7.986 -1.373) 9.786 8.006 ( -5.487 7.986 -1.373) 9.786 8.153 ( 9.232 -0.908 -4.252) 10.204 8.153 ( 9.232 0.908 -4.252) 10.204 8.287 ( -5.159 -2.841 5.761) 8.239 8.287 ( -5.159 2.841 5.761) 8.239 8.557 ( 0.087 -1.370 -1.440) 1.990 8.557 ( 0.087 1.370 -1.440) 1.990 8.784 ( -7.844 -6.787 0.695) 10.396 8.784 ( -7.844 6.787 0.695) 10.396 9.195 ( 6.453 -2.434 1.418) 7.041 9.195 ( 6.453 2.434 1.418) 7.041 9.373 ( -1.641 -2.245 -2.551) 3.774 9.373 ( -1.641 2.245 -2.551) 3.774 9.503 ( -1.271 -1.130 0.738) 1.854 9.503 ( -1.271 1.130 0.738) 1.854 9.731 ( 2.108 -0.134 0.555) 2.184 9.731 ( 2.108 0.134 0.555) 2.184 10.007 ( -5.031 -3.941 -1.618) 6.592 10.007 ( -5.031 3.941 -1.618) 6.592 10.503 ( -0.678 -3.965 2.378) 4.673 10.503 ( -0.678 3.965 2.378) 4.673 10.797 ( 1.854 -1.279 -1.276) 2.588 10.797 ( 1.854 1.279 -1.276) 2.588 10.995 ( 4.176 -2.834 1.729) 5.334 10.995 ( 4.175 2.834 1.729) 5.334 11.079 ( -0.522 -5.222 -0.671) 5.291 11.079 ( -0.522 5.222 -0.671) 5.291 11.414 ( -0.633 -3.541 -0.787) 3.683 11.414 ( -0.633 3.541 -0.787) 3.683 11.701 ( -1.544 -5.118 -0.262) 5.352 11.701 ( -1.544 5.118 -0.262) 5.352 11.965 ( 0.510 -0.772 -0.380) 1.000 11.965 ( 0.510 0.772 -0.380) 1.000 12.142 ( -0.384 -3.657 0.067) 3.678 12.142 ( -0.384 3.657 0.067) 3.678 12.358 ( -0.647 -2.825 0.793) 3.005 12.358 ( -0.647 2.825 0.793) 3.005 12.554 ( 0.928 -1.653 -1.656) 2.517 12.554 ( 0.928 1.653 -1.656) 2.517 12.933 ( -1.263 -3.873 2.923) 5.014 12.933 ( -1.263 3.873 2.923) 5.014 13.292 ( 1.546 -3.894 -2.533) 4.896 13.292 ( 1.546 3.894 -2.533) 4.896 13.428 ( -1.854 -0.908 5.474) 5.851 13.428 ( -1.854 0.908 5.474) 5.851 13.540 ( 0.664 -6.890 -1.481) 7.079 13.540 ( 0.664 6.890 -1.481) 7.079 13.797 ( -3.595 -2.529 -2.149) 4.893 13.797 ( -3.595 2.529 -2.149) 4.893 14.204 ( 1.297 -3.959 -1.309) 4.367 14.204 ( 1.297 3.959 -1.309) 4.367 14.648 ( 4.259 -7.373 5.820) 10.313 14.648 ( 4.259 7.373 5.820) 10.313 15.354 ( -7.224 -9.798 -9.169) 15.240 15.354 ( -7.224 9.798 -9.169) 15.240 15.797 ( 10.597 -1.861 0.210) 10.761 15.797 ( 10.597 1.861 0.210) 10.761 16.379 ( -6.305 -1.450 4.058) 7.636 16.379 ( -6.305 1.450 4.058) 7.636 17.010 ( 1.047 -0.526 -0.081) 1.175 17.010 ( 1.047 0.526 -0.081) 1.175 17.501 ( -1.989 -1.944 -0.412) 2.812 17.501 ( -1.989 1.944 -0.412) 2.812 ======================= Grid point 77 (25/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 4.258 0.000 23.039) 23.429 0.545 ( -8.367 0.000 27.876) 29.104 1.079 ( 3.500 0.000 53.589) 53.704 1.504 ( -2.313 0.000 -9.873) 10.140 1.791 ( 4.330 0.000 -11.150) 11.961 2.173 ( -0.893 0.000 14.269) 14.297 2.896 ( 0.308 0.000 6.383) 6.390 2.926 ( -5.070 0.000 -8.612) 9.993 3.263 ( 0.486 0.000 -15.849) 15.856 3.492 ( 4.936 0.000 2.046) 5.344 3.729 ( -4.153 0.000 -1.762) 4.511 3.767 ( 8.152 0.000 4.532) 9.327 3.788 ( 12.097 0.000 -11.843) 16.929 3.982 ( -16.589 0.000 -2.729) 16.812 4.006 ( -10.607 0.000 1.787) 10.757 4.230 ( -16.780 0.000 3.185) 17.080 4.254 ( 6.749 0.000 -3.302) 7.514 4.466 ( 10.449 0.000 0.039) 10.449 4.493 ( -20.051 0.000 1.628) 20.117 4.629 ( -5.734 0.000 -7.517) 9.454 4.807 ( 7.498 0.000 3.394) 8.230 4.966 ( -4.684 0.000 -0.117) 4.685 4.981 ( -0.051 0.000 6.592) 6.592 5.419 ( -4.922 0.000 -4.554) 6.706 5.434 ( -5.799 0.000 6.360) 8.607 5.498 ( 6.983 0.000 0.871) 7.037 6.164 ( 3.630 0.000 -1.834) 4.067 6.193 ( 2.901 0.000 0.996) 3.067 6.227 ( 5.406 0.000 -6.442) 8.410 6.378 ( -10.955 0.000 0.615) 10.972 6.446 ( -7.540 0.000 -5.438) 9.297 6.521 ( 4.316 0.000 -5.326) 6.856 6.639 ( 6.851 0.000 2.268) 7.217 6.689 ( 1.096 0.000 -2.962) 3.159 6.729 ( 16.376 0.000 1.881) 16.483 6.864 ( -6.358 0.000 -3.449) 7.233 6.951 ( 5.987 0.000 1.076) 6.083 7.023 ( -1.881 0.000 0.368) 1.916 7.253 ( -4.358 0.000 0.199) 4.362 7.263 ( 3.124 0.000 1.148) 3.328 7.306 ( 3.570 0.000 0.241) 3.578 7.499 ( -5.516 0.000 -4.205) 6.936 7.894 ( 2.814 0.000 7.693) 8.192 7.896 ( -3.662 0.000 2.496) 4.432 8.081 ( 11.779 0.000 9.231) 14.966 8.209 ( -2.479 0.000 -3.579) 4.354 8.445 ( 6.710 0.000 3.925) 7.774 8.470 ( -5.056 0.000 4.590) 6.829 8.542 ( 47.728 0.000 -0.456) 47.730 8.643 ( 2.466 0.000 1.399) 2.836 8.673 ( -0.990 0.000 -8.122) 8.182 8.774 ( 10.049 0.000 -0.032) 10.049 8.846 ( -6.385 0.000 1.018) 6.466 8.994 ( -3.580 0.000 -2.438) 4.331 9.210 ( 0.143 0.000 -2.447) 2.452 9.258 ( 0.509 0.000 -0.821) 0.966 9.368 ( -4.088 0.000 4.883) 6.368 9.642 ( 5.146 0.000 -0.137) 5.148 9.645 ( 20.196 0.000 -0.299) 20.199 9.704 ( -0.291 0.000 0.393) 0.489 9.980 ( 8.712 0.000 1.510) 8.842 10.008 ( -11.929 0.000 0.654) 11.946 10.233 ( -3.052 0.000 -1.370) 3.346 10.239 ( -4.148 0.000 1.157) 4.306 10.265 ( 1.293 0.000 2.840) 3.120 10.387 ( -6.372 0.000 5.136) 8.184 10.633 ( -3.406 0.000 -0.315) 3.420 10.640 ( -2.052 0.000 -1.018) 2.291 10.741 ( -7.778 0.000 0.014) 7.778 11.038 ( 3.757 0.000 -5.430) 6.603 11.122 ( -2.724 0.000 -1.124) 2.947 11.255 ( 0.059 0.000 -0.890) 0.892 11.332 ( 2.536 0.000 2.590) 3.625 11.584 ( 2.226 0.000 -5.655) 6.077 11.700 ( -3.381 0.000 0.630) 3.439 11.761 ( -5.008 0.000 1.816) 5.327 11.826 ( 0.089 0.000 -0.012) 0.089 11.857 ( 2.065 0.000 2.840) 3.512 12.018 ( 1.493 0.000 0.185) 1.504 12.120 ( -6.173 0.000 0.443) 6.189 12.312 ( 5.391 0.000 -2.217) 5.829 12.383 ( -4.091 0.000 -5.434) 6.802 12.548 ( -17.780 0.000 4.149) 18.258 12.552 ( 1.272 0.000 0.597) 1.406 12.691 ( -1.432 0.000 -0.087) 1.434 12.762 ( -4.118 0.000 -6.728) 7.888 12.997 ( -1.664 0.000 -1.204) 2.054 13.149 ( 2.029 0.000 -3.634) 4.162 13.169 ( -6.701 0.000 4.176) 7.896 13.337 ( -4.293 0.000 -6.879) 8.109 13.438 ( 0.612 0.000 -5.832) 5.864 13.440 ( -1.550 0.000 -4.722) 4.970 13.730 ( 3.248 0.000 -3.192) 4.554 13.845 ( 4.719 0.000 -1.393) 4.920 14.187 ( 15.758 0.000 7.656) 17.519 14.331 ( -0.714 0.000 11.182) 11.205 14.459 ( -1.397 0.000 16.185) 16.245 14.655 ( 0.728 0.000 2.992) 3.080 15.062 ( -1.178 0.000 -5.159) 5.291 15.443 ( 12.341 0.000 0.129) 12.342 15.533 ( -15.707 0.000 -3.085) 16.008 15.938 ( 2.306 0.000 -5.274) 5.756 16.443 ( 0.437 0.000 9.259) 9.270 16.810 ( 3.655 0.000 -0.316) 3.669 16.843 ( -3.034 0.000 0.930) 3.173 17.499 ( -3.125 0.000 -18.468) 18.730 18.365 ( 5.616 0.000 15.368) 16.362 19.029 ( -18.754 0.000 -5.233) 19.471 ======================= Grid point 78 (26/108) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 15.674 0.000 18.027) 23.888 0.990 ( 25.690 0.000 18.874) 31.878 1.420 ( 2.936 0.000 -11.712) 12.074 1.710 ( 26.433 0.000 38.194) 46.449 2.004 ( 18.673 0.000 -10.941) 21.642 2.291 ( 3.959 0.000 14.588) 15.115 2.794 ( 1.503 0.000 -10.369) 10.477 2.893 ( -4.808 0.000 8.257) 9.555 3.072 ( -9.837 0.000 -16.326) 19.061 3.521 ( -13.775 0.000 6.472) 15.220 3.524 ( -10.695 0.000 -7.418) 13.015 3.657 ( -7.638 0.000 4.385) 8.807 3.727 ( -6.826 0.000 -5.416) 8.714 3.908 ( 9.252 0.000 -14.000) 16.781 4.063 ( 4.434 0.000 4.117) 6.050 4.232 ( 17.597 0.000 1.013) 17.626 4.456 ( 9.121 0.000 4.485) 10.164 4.577 ( 11.402 0.000 0.091) 11.402 4.631 ( 8.553 0.000 0.378) 8.561 4.676 ( 9.135 0.000 1.366) 9.237 4.969 ( 7.695 0.000 -5.690) 9.570 4.980 ( 8.816 0.000 -0.224) 8.819 5.106 ( 7.462 0.000 3.492) 8.239 5.348 ( 0.294 0.000 -2.578) 2.595 5.454 ( 5.436 0.000 5.719) 7.890 5.711 ( 11.426 0.000 3.767) 12.031 6.018 ( -21.954 0.000 -4.433) 22.397 6.042 ( -13.822 0.000 -3.416) 14.238 6.196 ( -3.305 0.000 -5.302) 6.248 6.265 ( 0.082 0.000 -1.523) 1.525 6.348 ( 2.584 0.000 3.377) 4.253 6.425 ( -7.426 0.000 -2.973) 7.999 6.631 ( -8.904 0.000 -0.358) 8.911 6.662 ( -3.721 0.000 -3.605) 5.181 6.739 ( -5.147 0.000 -5.360) 7.431 6.942 ( -5.483 0.000 -3.749) 6.642 6.979 ( 6.246 0.000 -3.955) 7.393 7.046 ( 3.097 0.000 1.020) 3.261 7.169 ( -2.057 0.000 -1.102) 2.333 7.316 ( 3.704 0.000 1.625) 4.045 7.370 ( -3.033 0.000 -3.497) 4.629 7.538 ( 16.433 0.000 0.926) 16.459 7.815 ( -5.435 0.000 7.940) 9.622 7.922 ( -6.566 0.000 3.795) 7.584 8.088 ( -3.362 0.000 0.822) 3.462 8.252 ( 2.432 0.000 3.024) 3.881 8.375 ( -4.467 0.000 -1.332) 4.661 8.484 ( -8.912 0.000 -6.800) 11.210 8.545 ( -0.745 0.000 3.982) 4.051 8.692 ( -1.509 0.000 -3.802) 4.091 8.725 ( 5.601 0.000 1.203) 5.729 8.777 ( -0.746 0.000 -0.778) 1.078 9.015 ( 3.490 0.000 -1.843) 3.947 9.116 ( -10.016 0.000 1.469) 10.123 9.164 ( 6.624 0.000 -1.652) 6.827 9.176 ( -1.652 0.000 -3.393) 3.774 9.365 ( 0.164 0.000 3.178) 3.182 9.687 ( -4.663 0.000 1.121) 4.796 9.756 ( 5.830 0.000 0.435) 5.846 9.806 ( 2.199 0.000 -1.884) 2.896 9.960 ( -10.579 0.000 5.685) 12.010 10.137 ( 0.073 0.000 4.417) 4.417 10.281 ( 7.988 0.000 -6.840) 10.516 10.285 ( 6.944 0.000 -0.474) 6.960 10.376 ( 8.007 0.000 4.337) 9.106 10.511 ( 12.274 0.000 -11.897) 17.094 10.619 ( 13.978 0.000 -10.933) 17.746 10.626 ( 3.385 0.000 -1.823) 3.844 10.714 ( -0.125 0.000 5.549) 5.551 11.046 ( -1.509 0.000 -1.125) 1.882 11.103 ( 2.934 0.000 -4.062) 5.011 11.318 ( 6.615 0.000 0.448) 6.630 11.405 ( 1.972 0.000 3.681) 4.176 11.619 ( -0.119 0.000 -1.201) 1.206 11.672 ( 4.708 0.000 -7.412) 8.781 11.704 ( -0.931 0.000 -1.425) 1.703 11.776 ( -9.728 0.000 10.418) 14.254 11.852 ( 1.893 0.000 -0.151) 1.899 11.970 ( -6.924 0.000 -0.811) 6.972 12.081 ( 5.538 0.000 -0.878) 5.607 12.318 ( 1.155 0.000 6.624) 6.724 12.384 ( 2.518 0.000 -4.475) 5.135 12.475 ( 0.465 0.000 -0.752) 0.885 12.541 ( -2.531 0.000 1.321) 2.855 12.648 ( -4.131 0.000 -4.886) 6.398 12.682 ( -0.344 0.000 4.216) 4.230 12.969 ( -0.487 0.000 -1.198) 1.293 13.137 ( -3.656 0.000 6.516) 7.471 13.151 ( 0.256 0.000 -5.825) 5.831 13.187 ( -5.343 0.000 -6.831) 8.673 13.358 ( -4.265 0.000 -6.705) 7.947 13.370 ( -4.139 0.000 0.420) 4.160 13.769 ( 2.790 0.000 -3.299) 4.321 13.939 ( 5.189 0.000 0.312) 5.198 14.317 ( -6.583 0.000 7.746) 10.165 14.499 ( -1.024 0.000 10.752) 10.801 14.514 ( 13.687 0.000 -5.739) 14.842 14.682 ( -3.087 0.000 8.242) 8.801 14.972 ( -4.117 0.000 -7.398) 8.467 15.209 ( -13.468 0.000 -3.848) 14.007 15.697 ( 12.997 0.000 -2.728) 13.281 16.078 ( 14.104 0.000 -1.979) 14.243 16.528 ( 1.412 0.000 11.077) 11.167 16.845 ( 2.914 0.000 0.425) 2.945 16.965 ( 10.833 0.000 -0.445) 10.842 17.306 ( -4.830 0.000 -16.541) 17.232 18.264 ( -42.193 0.000 21.934) 47.554 18.452 ( -6.435 0.000 14.290) 15.672 ======================= Grid point 79 (27/108) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 18.880 0.000 13.050) 22.951 1.465 ( 10.932 0.000 -9.112) 14.231 1.574 ( 21.554 0.000 15.737) 26.687 2.103 ( -3.061 0.000 -10.025) 10.482 2.196 ( -0.592 0.000 14.472) 14.484 2.547 ( 3.661 0.000 11.304) 11.882 2.762 ( -9.645 0.000 -17.638) 20.103 2.929 ( 12.464 0.000 8.099) 14.864 2.992 ( 17.126 0.000 -5.346) 17.941 3.215 ( -15.500 0.000 12.150) 19.695 3.362 ( 3.618 0.000 -4.538) 5.804 3.534 ( -5.233 0.000 5.268) 7.425 3.586 ( -2.575 0.000 -11.226) 11.518 4.047 ( 10.696 0.000 -7.928) 13.314 4.296 ( 12.539 0.000 3.195) 12.940 4.555 ( -0.032 0.000 4.507) 4.508 4.566 ( 12.541 0.000 2.773) 12.844 4.821 ( 13.534 0.000 1.293) 13.596 4.834 ( 6.362 0.000 -0.595) 6.389 4.883 ( 12.767 0.000 4.319) 13.478 5.127 ( 10.861 0.000 -2.921) 11.247 5.160 ( 8.301 0.000 -1.030) 8.365 5.224 ( 5.002 0.000 -2.142) 5.441 5.385 ( -5.284 0.000 -5.717) 7.785 5.542 ( -12.697 0.000 -1.717) 12.812 5.606 ( -0.959 0.000 6.363) 6.435 5.725 ( -11.461 0.000 -2.789) 11.796 5.941 ( 8.136 0.000 3.962) 9.049 6.047 ( -10.650 0.000 -1.176) 10.715 6.224 ( -6.616 0.000 -0.532) 6.637 6.267 ( -5.682 0.000 -3.612) 6.732 6.397 ( 2.068 0.000 -0.588) 2.150 6.481 ( -4.062 0.000 0.314) 4.074 6.565 ( -2.844 0.000 -2.082) 3.525 6.610 ( -0.218 0.000 -2.480) 2.490 6.685 ( -15.323 0.000 -7.139) 16.904 7.062 ( -2.433 0.000 1.568) 2.894 7.075 ( 6.120 0.000 -2.384) 6.569 7.187 ( 4.999 0.000 -2.014) 5.390 7.374 ( 2.633 0.000 0.525) 2.685 7.430 ( 5.767 0.000 1.837) 6.052 7.708 ( -13.425 0.000 -0.308) 13.428 7.764 ( -3.933 0.000 3.666) 5.377 7.808 ( 7.047 0.000 1.944) 7.310 8.109 ( 0.841 0.000 3.560) 3.658 8.169 ( -7.148 0.000 -7.299) 10.216 8.291 ( -2.234 0.000 -2.991) 3.733 8.387 ( 1.352 0.000 2.778) 3.090 8.545 ( 0.744 0.000 0.512) 0.903 8.608 ( -3.251 0.000 -6.871) 7.601 8.793 ( -0.133 0.000 -3.625) 3.628 8.811 ( 4.014 0.000 -1.291) 4.216 8.974 ( -5.220 0.000 1.247) 5.367 9.000 ( -4.948 0.000 4.537) 6.713 9.156 ( 0.364 0.000 0.113) 0.381 9.182 ( -3.772 0.000 4.388) 5.786 9.337 ( -4.027 0.000 -0.124) 4.029 9.553 ( -5.700 0.000 -0.368) 5.712 9.831 ( -2.821 0.000 1.786) 3.339 9.903 ( 5.936 0.000 -7.023) 9.195 9.933 ( 10.948 0.000 -0.379) 10.954 10.189 ( 1.521 0.000 6.849) 7.016 10.318 ( -0.619 0.000 1.832) 1.934 10.393 ( 4.082 0.000 1.009) 4.205 10.489 ( -0.131 0.000 -3.098) 3.101 10.575 ( 7.551 0.000 4.619) 8.851 10.676 ( -3.202 0.000 2.374) 3.985 10.737 ( 8.090 0.000 0.581) 8.111 10.916 ( 14.422 0.000 -14.744) 20.625 10.979 ( -4.223 0.000 -1.268) 4.409 11.160 ( 4.781 0.000 -4.076) 6.283 11.428 ( -2.079 0.000 4.271) 4.750 11.474 ( 5.773 0.000 4.769) 7.488 11.548 ( -6.663 0.000 2.910) 7.271 11.639 ( -2.571 0.000 1.248) 2.858 11.661 ( -4.287 0.000 -2.058) 4.755 11.839 ( 11.308 0.000 -10.801) 15.637 11.853 ( 1.399 0.000 0.719) 1.573 11.956 ( 4.255 0.000 -1.216) 4.425 12.187 ( 5.189 0.000 -0.203) 5.193 12.332 ( -2.976 0.000 -6.178) 6.857 12.388 ( 0.275 0.000 0.841) 0.885 12.493 ( 2.465 0.000 2.083) 3.227 12.523 ( -1.169 0.000 3.124) 3.335 12.565 ( -2.132 0.000 1.161) 2.428 12.691 ( -3.222 0.000 7.190) 7.879 12.966 ( 0.772 0.000 -1.865) 2.019 13.017 ( -5.085 0.000 -6.097) 7.939 13.073 ( -5.862 0.000 4.870) 7.621 13.158 ( 1.395 0.000 -4.884) 5.079 13.225 ( -5.738 0.000 -3.316) 6.627 13.301 ( -3.297 0.000 2.604) 4.202 13.794 ( 0.877 0.000 -0.762) 1.162 14.057 ( 6.923 0.000 0.332) 6.931 14.221 ( -5.957 0.000 4.170) 7.272 14.528 ( -2.480 0.000 6.235) 6.710 14.596 ( -2.994 0.000 -6.714) 7.351 14.648 ( -3.802 0.000 8.106) 8.954 14.866 ( 0.545 0.000 -6.207) 6.231 14.995 ( -5.274 0.000 -6.850) 8.645 15.907 ( 10.230 0.000 -2.559) 10.545 16.410 ( 18.640 0.000 2.190) 18.768 16.609 ( -0.991 0.000 13.181) 13.218 16.946 ( 6.423 0.000 1.248) 6.543 17.021 ( -4.182 0.000 -13.579) 14.209 17.284 ( 11.254 0.000 -2.967) 11.639 17.752 ( -24.209 0.000 14.221) 28.077 18.289 ( -16.226 0.000 7.131) 17.724 ======================= Grid point 80 (28/108) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 14.401 0.000 7.592) 16.280 1.668 ( 15.101 0.000 -7.883) 17.035 1.873 ( -12.364 0.000 -2.663) 12.647 2.007 ( 0.489 0.000 4.422) 4.449 2.138 ( 3.531 0.000 15.130) 15.536 2.302 ( -21.590 0.000 2.618) 21.748 2.573 ( 2.389 0.000 -17.122) 17.288 3.018 ( -14.282 0.000 2.832) 14.560 3.083 ( 1.580 0.000 -2.794) 3.210 3.191 ( 6.492 0.000 13.430) 14.916 3.486 ( 1.413 0.000 -14.332) 14.402 3.729 ( 22.650 0.000 -0.577) 22.658 3.923 ( 30.241 0.000 12.445) 32.702 4.147 ( 0.298 0.000 -1.797) 1.821 4.348 ( -16.213 0.000 -1.028) 16.245 4.571 ( 0.138 0.000 4.150) 4.152 4.686 ( 0.994 0.000 1.163) 1.530 4.831 ( -10.317 0.000 0.478) 10.328 4.867 ( -2.641 0.000 -5.687) 6.270 5.100 ( 6.503 0.000 -0.046) 6.503 5.151 ( -3.058 0.000 -2.711) 4.087 5.229 ( 6.273 0.000 0.452) 6.290 5.342 ( 4.911 0.000 0.075) 4.912 5.405 ( 15.934 0.000 2.400) 16.114 5.492 ( 0.085 0.000 1.884) 1.886 5.596 ( 5.500 0.000 -3.346) 6.438 5.670 ( -3.875 0.000 4.841) 6.200 5.774 ( -15.740 0.000 -0.822) 15.761 6.071 ( 2.586 0.000 3.175) 4.095 6.078 ( -5.266 0.000 -1.241) 5.410 6.220 ( 3.602 0.000 -1.504) 3.904 6.319 ( -4.247 0.000 -1.726) 4.585 6.344 ( -11.531 0.000 -6.885) 13.430 6.498 ( -0.675 0.000 -0.514) 0.848 6.555 ( 1.160 0.000 3.517) 3.704 6.737 ( 10.075 0.000 -3.871) 10.793 7.044 ( -0.228 0.000 4.445) 4.451 7.211 ( 8.705 0.000 -3.212) 9.279 7.287 ( 4.735 0.000 -0.060) 4.736 7.403 ( -3.268 0.000 2.170) 3.923 7.488 ( -5.074 0.000 3.150) 5.972 7.522 ( 2.062 0.000 1.530) 2.567 7.624 ( -9.850 0.000 0.135) 9.851 7.866 ( -0.864 0.000 -1.597) 1.815 8.043 ( -0.040 0.000 -5.654) 5.654 8.098 ( -1.503 0.000 -4.052) 4.322 8.280 ( 0.397 0.000 1.532) 1.582 8.435 ( -3.267 0.000 -0.933) 3.398 8.551 ( 4.444 0.000 -4.830) 6.563 8.553 ( -0.670 0.000 -8.774) 8.799 8.732 ( 0.664 0.000 2.436) 2.524 8.867 ( 1.525 0.000 -1.996) 2.512 8.920 ( -5.621 0.000 6.784) 8.811 8.927 ( 0.021 0.000 -0.355) 0.355 9.110 ( -5.465 0.000 5.325) 7.630 9.152 ( -4.712 0.000 3.466) 5.850 9.284 ( 1.939 0.000 -2.277) 2.991 9.477 ( -0.821 0.000 -5.128) 5.193 9.838 ( 1.866 0.000 -1.845) 2.625 9.936 ( 2.138 0.000 -8.229) 8.502 10.118 ( 7.155 0.000 -0.431) 7.168 10.186 ( -4.286 0.000 5.272) 6.794 10.353 ( 1.447 0.000 6.225) 6.391 10.456 ( 0.892 0.000 1.845) 2.050 10.505 ( 1.260 0.000 -1.382) 1.870 10.610 ( -3.723 0.000 2.298) 4.375 10.692 ( 3.120 0.000 1.300) 3.380 10.778 ( -7.379 0.000 1.549) 7.540 10.995 ( 7.514 0.000 -1.474) 7.657 11.081 ( 10.413 0.000 -7.602) 12.893 11.226 ( 4.518 0.000 -3.483) 5.705 11.371 ( -5.445 0.000 2.202) 5.874 11.401 ( -7.915 0.000 1.909) 8.142 11.566 ( -1.242 0.000 7.570) 7.671 11.586 ( -1.687 0.000 4.050) 4.388 11.650 ( 3.684 0.000 -4.897) 6.128 11.920 ( 3.034 0.000 0.813) 3.141 11.984 ( 9.288 0.000 -9.044) 12.964 12.039 ( 4.191 0.000 0.026) 4.191 12.259 ( 1.433 0.000 -0.329) 1.470 12.269 ( 0.226 0.000 -2.900) 2.908 12.314 ( -3.926 0.000 -4.065) 5.651 12.501 ( -2.550 0.000 0.737) 2.654 12.569 ( 4.413 0.000 -2.960) 5.314 12.620 ( 1.959 0.000 12.542) 12.694 12.642 ( -5.057 0.000 5.873) 7.750 12.927 ( -3.712 0.000 -0.968) 3.836 12.930 ( -0.752 0.000 -3.042) 3.133 13.036 ( 0.762 0.000 -1.566) 1.741 13.129 ( -3.223 0.000 5.318) 6.219 13.162 ( 2.103 0.000 -3.994) 4.514 13.295 ( 0.752 0.000 4.371) 4.436 13.785 ( -2.171 0.000 1.391) 2.578 14.156 ( -2.698 0.000 2.314) 3.554 14.170 ( 2.517 0.000 -4.865) 5.477 14.447 ( -2.382 0.000 -2.831) 3.700 14.469 ( -4.584 0.000 0.658) 4.631 14.655 ( -1.558 0.000 8.739) 8.877 14.875 ( 0.603 0.000 -8.192) 8.214 14.930 ( 3.401 0.000 -3.602) 4.954 16.062 ( 7.260 0.000 -1.495) 7.412 16.620 ( -7.386 0.000 15.392) 17.073 16.697 ( 1.246 0.000 -5.548) 5.686 16.908 ( 8.260 0.000 -1.084) 8.331 17.087 ( 6.025 0.000 3.321) 6.880 17.452 ( -13.043 0.000 5.555) 14.177 17.494 ( 11.578 0.000 -6.812) 13.433 17.956 ( -18.816 0.000 -0.774) 18.832 ======================= Grid point 81 (29/108) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -23.284 0.000 -2.224) 23.390 1.608 ( -27.057 0.000 -1.725) 27.112 1.913 ( 4.960 0.000 -0.446) 4.980 1.999 ( -6.544 0.000 1.195) 6.652 2.074 ( 14.795 0.000 5.290) 15.712 2.482 ( 7.102 0.000 13.578) 15.323 2.651 ( 13.045 0.000 -10.370) 16.665 2.805 ( -1.856 0.000 -0.667) 1.972 3.131 ( 5.066 0.000 -6.769) 8.455 3.428 ( 5.598 0.000 17.521) 18.394 3.447 ( 2.441 0.000 -8.386) 8.734 3.578 ( -42.913 0.000 -1.461) 42.938 3.944 ( -18.312 0.000 6.429) 19.407 4.010 ( 5.756 0.000 -7.044) 9.097 4.457 ( 0.082 0.000 2.864) 2.866 4.614 ( -0.295 0.000 4.129) 4.140 4.685 ( 1.166 0.000 1.357) 1.789 4.764 ( -1.009 0.000 -9.857) 9.908 4.857 ( 7.237 0.000 -0.031) 7.237 5.058 ( -9.645 0.000 -1.597) 9.776 5.165 ( 3.972 0.000 2.967) 4.958 5.261 ( 3.160 0.000 3.237) 4.523 5.342 ( -18.836 0.000 -1.700) 18.913 5.465 ( 5.620 0.000 -1.734) 5.882 5.571 ( -2.298 0.000 5.654) 6.103 5.615 ( 4.013 0.000 3.581) 5.379 5.693 ( 6.058 0.000 -0.277) 6.065 5.782 ( 11.143 0.000 -1.451) 11.238 6.002 ( -2.052 0.000 -4.651) 5.084 6.030 ( -5.360 0.000 4.186) 6.801 6.253 ( 3.522 0.000 -1.593) 3.866 6.337 ( 7.586 0.000 -1.976) 7.839 6.413 ( -3.703 0.000 -4.965) 6.193 6.434 ( 15.099 0.000 0.277) 15.102 6.656 ( 6.983 0.000 5.285) 8.757 6.836 ( 2.392 0.000 -5.414) 5.919 6.952 ( -10.785 0.000 5.130) 11.943 7.258 ( -5.269 0.000 -1.168) 5.397 7.326 ( -0.505 0.000 4.116) 4.147 7.490 ( -2.120 0.000 -5.192) 5.608 7.508 ( 0.562 0.000 4.908) 4.940 7.511 ( 12.547 0.000 5.134) 13.557 7.530 ( 0.074 0.000 1.673) 1.675 7.845 ( 1.136 0.000 -1.444) 1.837 8.031 ( -2.784 0.000 -5.056) 5.772 8.041 ( 1.271 0.000 -9.240) 9.327 8.250 ( -2.193 0.000 -2.817) 3.570 8.314 ( -4.395 0.000 -4.956) 6.624 8.490 ( -0.202 0.000 -2.288) 2.297 8.613 ( 3.284 0.000 -5.766) 6.635 8.829 ( -2.528 0.000 -1.658) 3.023 8.840 ( 4.398 0.000 2.149) 4.895 8.935 ( 2.030 0.000 4.826) 5.235 8.963 ( 1.929 0.000 0.707) 2.055 9.049 ( -1.073 0.000 0.237) 1.098 9.066 ( -1.715 0.000 4.853) 5.147 9.343 ( 2.688 0.000 0.411) 2.720 9.416 ( -3.529 0.000 -5.183) 6.270 9.838 ( -1.160 0.000 -1.677) 2.039 9.935 ( 4.375 0.000 -7.803) 8.946 10.127 ( -4.403 0.000 1.267) 4.582 10.172 ( -3.159 0.000 2.210) 3.855 10.408 ( -3.558 0.000 9.452) 10.099 10.411 ( -5.886 0.000 0.870) 5.950 10.459 ( -0.540 0.000 -1.064) 1.193 10.575 ( -9.220 0.000 -3.104) 9.729 10.617 ( 1.007 0.000 2.527) 2.720 10.793 ( 4.979 0.000 -0.337) 4.990 11.011 ( -4.530 0.000 -1.663) 4.826 11.180 ( 0.447 0.000 -4.779) 4.800 11.302 ( -0.394 0.000 1.398) 1.452 11.326 ( 2.954 0.000 -0.165) 2.959 11.329 ( 2.995 0.000 0.098) 2.997 11.565 ( -0.671 0.000 -1.234) 1.404 11.653 ( 5.099 0.000 7.543) 9.105 11.664 ( -1.042 0.000 1.305) 1.670 11.947 ( -1.002 0.000 1.408) 1.728 12.059 ( 1.683 0.000 -4.552) 4.853 12.088 ( -0.852 0.000 1.951) 2.129 12.159 ( -6.202 0.000 -4.375) 7.590 12.316 ( 5.548 0.000 -1.913) 5.869 12.325 ( 4.281 0.000 -3.875) 5.774 12.446 ( -2.333 0.000 -1.112) 2.585 12.601 ( -1.354 0.000 3.602) 3.848 12.632 ( 2.944 0.000 -0.236) 2.953 12.713 ( 0.819 0.000 7.980) 8.022 12.894 ( 1.393 0.000 2.122) 2.538 12.952 ( 3.909 0.000 -1.328) 4.128 13.030 ( 0.158 0.000 -0.134) 0.207 13.194 ( 4.643 0.000 6.417) 7.921 13.205 ( 5.048 0.000 -3.785) 6.310 13.368 ( 2.863 0.000 6.056) 6.699 13.734 ( -3.506 0.000 1.144) 3.688 14.051 ( -6.558 0.000 -7.085) 9.654 14.139 ( -0.663 0.000 2.493) 2.580 14.386 ( -4.072 0.000 0.167) 4.075 14.556 ( 9.992 0.000 -2.709) 10.353 14.672 ( -1.415 0.000 6.258) 6.415 14.841 ( 2.978 0.000 -10.621) 11.031 14.998 ( 4.015 0.000 -1.207) 4.193 16.177 ( 4.420 0.000 2.162) 4.920 16.493 ( -10.818 0.000 -9.371) 14.312 16.493 ( -14.356 0.000 13.525) 19.723 17.148 ( -4.452 0.000 5.677) 7.215 17.212 ( 12.901 0.000 6.927) 14.643 17.368 ( 2.556 0.000 5.968) 6.492 17.521 ( -10.834 0.000 -6.174) 12.470 17.714 ( 5.697 0.000 -10.700) 12.123 ======================= Grid point 82 (30/108) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -24.688 0.000 0.535) 24.694 1.067 ( -27.957 0.000 6.498) 28.702 1.759 ( -9.567 0.000 0.707) 9.593 2.000 ( -14.190 0.000 6.075) 15.436 2.254 ( -0.750 0.000 -2.736) 2.837 2.422 ( -18.308 0.000 7.012) 19.605 2.786 ( -19.857 0.000 3.106) 20.098 2.877 ( 11.004 0.000 -3.800) 11.642 3.045 ( 17.202 0.000 1.643) 17.280 3.152 ( 7.701 0.000 -12.656) 14.815 3.513 ( -2.985 0.000 12.260) 12.618 3.619 ( -2.506 0.000 -8.953) 9.297 3.669 ( 4.105 0.000 10.128) 10.928 4.094 ( 7.978 0.000 -10.221) 12.966 4.280 ( -10.753 0.000 4.923) 11.827 4.555 ( -8.161 0.000 1.408) 8.281 4.581 ( -13.673 0.000 3.625) 14.145 4.628 ( -10.090 0.000 -1.987) 10.283 4.831 ( -9.929 0.000 -0.578) 9.945 4.831 ( -6.604 0.000 3.265) 7.367 5.129 ( -1.792 0.000 -2.440) 3.028 5.132 ( -10.449 0.000 2.274) 10.693 5.407 ( -13.014 0.000 -6.417) 14.510 5.494 ( 10.295 0.000 -6.778) 12.326 5.544 ( -0.886 0.000 7.866) 7.916 5.692 ( -4.519 0.000 4.819) 6.606 5.838 ( 13.586 0.000 -1.113) 13.632 5.882 ( 0.348 0.000 1.933) 1.964 6.006 ( 7.035 0.000 -2.814) 7.577 6.116 ( 14.487 0.000 3.037) 14.802 6.367 ( 2.846 0.000 -2.213) 3.605 6.389 ( 7.000 0.000 0.848) 7.051 6.553 ( 10.511 0.000 -1.727) 10.652 6.652 ( 7.488 0.000 0.067) 7.488 6.688 ( -5.710 0.000 -2.566) 6.260 6.885 ( 11.126 0.000 0.262) 11.129 6.939 ( 3.138 0.000 -0.768) 3.231 7.118 ( -4.813 0.000 -1.987) 5.207 7.357 ( -1.538 0.000 7.146) 7.309 7.385 ( -5.384 0.000 -3.384) 6.359 7.513 ( -1.123 0.000 5.716) 5.825 7.582 ( 3.614 0.000 2.482) 4.384 7.769 ( 6.786 0.000 2.720) 7.311 7.808 ( -8.470 0.000 -5.465) 10.081 7.912 ( -4.139 0.000 -17.621) 18.100 7.964 ( 2.051 0.000 -2.218) 3.021 8.245 ( 3.211 0.000 -1.383) 3.496 8.257 ( 0.114 0.000 -5.069) 5.070 8.474 ( -0.804 0.000 -0.490) 0.942 8.631 ( 5.011 0.000 -9.346) 10.604 8.788 ( -2.733 0.000 0.758) 2.836 8.816 ( -7.933 0.000 -1.449) 8.064 8.973 ( 1.016 0.000 2.941) 3.111 8.981 ( 7.823 0.000 2.083) 8.096 9.098 ( -1.265 0.000 2.749) 3.026 9.263 ( 12.435 0.000 3.541) 12.929 9.327 ( 0.196 0.000 -1.929) 1.939 9.355 ( -2.114 0.000 1.482) 2.582 9.774 ( -3.687 0.000 -1.902) 4.149 9.955 ( -3.853 0.000 -4.223) 5.716 9.993 ( -15.108 0.000 4.583) 15.788 10.059 ( 1.176 0.000 -1.009) 1.550 10.332 ( -1.420 0.000 -1.715) 2.227 10.338 ( -3.075 0.000 0.112) 3.077 10.401 ( -6.941 0.000 -2.376) 7.337 10.503 ( -0.490 0.000 6.251) 6.270 10.633 ( -0.336 0.000 1.776) 1.808 10.846 ( -3.434 0.000 2.851) 4.464 10.930 ( 1.803 0.000 -4.688) 5.023 11.122 ( -0.380 0.000 -9.115) 9.123 11.267 ( -2.826 0.000 -0.118) 2.829 11.340 ( -2.593 0.000 2.541) 3.630 11.391 ( -1.603 0.000 0.691) 1.746 11.547 ( 3.098 0.000 -4.847) 5.753 11.660 ( -0.722 0.000 5.512) 5.559 11.841 ( 6.629 0.000 5.951) 8.909 11.914 ( -1.400 0.000 1.866) 2.333 11.975 ( -7.180 0.000 -4.432) 8.438 12.029 ( -5.444 0.000 2.908) 6.172 12.040 ( -2.510 0.000 -3.329) 4.169 12.363 ( -0.226 0.000 -4.709) 4.715 12.382 ( 4.014 0.000 -6.485) 7.627 12.450 ( 3.535 0.000 -0.497) 3.570 12.642 ( 2.777 0.000 2.995) 4.085 12.700 ( 3.665 0.000 3.119) 4.812 12.761 ( 1.883 0.000 1.220) 2.243 12.993 ( 4.112 0.000 5.898) 7.189 13.039 ( 5.208 0.000 -1.510) 5.422 13.053 ( 2.330 0.000 3.011) 3.807 13.316 ( 9.294 0.000 -7.397) 11.878 13.343 ( 6.874 0.000 4.063) 7.985 13.448 ( 0.993 0.000 5.956) 6.039 13.683 ( -1.784 0.000 0.606) 1.884 13.915 ( -3.775 0.000 -3.557) 5.187 14.166 ( 1.378 0.000 5.460) 5.631 14.323 ( -3.196 0.000 3.749) 4.926 14.604 ( -0.308 0.000 -22.018) 22.020 14.674 ( -1.231 0.000 3.044) 3.283 14.939 ( 11.871 0.000 -3.608) 12.407 15.060 ( 3.187 0.000 -2.052) 3.790 16.176 ( -13.828 0.000 7.794) 15.873 16.232 ( -10.558 0.000 -6.747) 12.530 16.338 ( -1.395 0.000 7.857) 7.980 17.050 ( -7.473 0.000 4.692) 8.824 17.121 ( -14.279 0.000 -6.620) 15.739 17.557 ( 8.433 0.000 3.718) 9.217 17.574 ( 10.244 0.000 24.700) 26.740 17.836 ( 12.459 0.000 -9.564) 15.707 ======================= Grid point 83 (31/108) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -19.524 0.000 10.291) 22.070 0.707 ( -17.511 0.000 27.913) 32.951 1.335 ( -48.496 0.000 23.828) 54.034 1.622 ( -5.756 0.000 -4.740) 7.456 1.999 ( -15.359 0.000 -10.297) 18.491 2.178 ( -7.750 0.000 9.920) 12.588 2.804 ( 5.706 0.000 3.867) 6.893 2.985 ( 3.075 0.000 -1.813) 3.570 3.315 ( 2.592 0.000 -9.790) 10.127 3.359 ( 12.784 0.000 -0.342) 12.789 3.478 ( 15.470 0.000 -7.097) 17.020 3.645 ( -3.703 0.000 1.109) 3.865 3.756 ( 5.988 0.000 2.144) 6.360 4.197 ( 8.295 0.000 -12.141) 14.704 4.273 ( -3.630 0.000 12.468) 12.986 4.299 ( -13.187 0.000 4.304) 13.872 4.340 ( -17.503 0.000 0.881) 17.526 4.390 ( -5.316 0.000 -2.664) 5.947 4.723 ( -2.050 0.000 2.129) 2.956 4.842 ( 5.594 0.000 5.146) 7.601 4.903 ( -13.298 0.000 -4.467) 14.028 5.061 ( -12.772 0.000 -0.497) 12.782 5.108 ( -1.680 0.000 -4.046) 4.381 5.494 ( -2.020 0.000 -4.136) 4.603 5.526 ( -6.949 0.000 9.951) 12.137 5.552 ( -7.427 0.000 4.261) 8.562 6.035 ( 8.773 0.000 -4.286) 9.764 6.071 ( 11.643 0.000 -3.929) 12.288 6.153 ( 5.749 0.000 -1.651) 5.982 6.404 ( 9.180 0.000 3.492) 9.822 6.447 ( 2.240 0.000 -6.298) 6.684 6.461 ( 6.333 0.000 1.686) 6.554 6.551 ( 0.139 0.000 -3.827) 3.830 6.744 ( 1.900 0.000 -3.963) 4.395 6.802 ( 8.777 0.000 -2.180) 9.044 6.899 ( -10.897 0.000 -17.745) 20.824 6.982 ( -0.860 0.000 -0.819) 1.187 7.111 ( -0.252 0.000 -3.294) 3.304 7.249 ( -6.348 0.000 -10.727) 12.465 7.300 ( -4.170 0.000 3.844) 5.672 7.339 ( -16.267 0.000 -14.486) 21.782 7.575 ( -0.030 0.000 3.750) 3.750 7.754 ( 2.396 0.000 11.073) 11.329 7.782 ( 3.743 0.000 5.934) 7.016 7.793 ( 1.598 0.000 1.792) 2.401 8.123 ( 9.278 0.000 1.798) 9.450 8.202 ( -4.129 0.000 0.994) 4.247 8.327 ( 4.815 0.000 -0.250) 4.822 8.482 ( 1.279 0.000 2.511) 2.819 8.664 ( -5.992 0.000 -0.891) 6.058 8.687 ( 4.573 0.000 -8.810) 9.927 8.743 ( -0.721 0.000 0.955) 1.197 8.993 ( -7.574 0.000 0.161) 7.576 9.105 ( 9.399 0.000 1.777) 9.566 9.123 ( 1.114 0.000 2.862) 3.072 9.218 ( -6.062 0.000 -2.996) 6.762 9.417 ( 5.607 0.000 3.553) 6.638 9.439 ( -3.119 0.000 7.259) 7.901 9.757 ( -0.420 0.000 -2.831) 2.862 9.787 ( -9.062 0.000 -2.239) 9.334 9.788 ( 1.154 0.000 1.539) 1.924 10.089 ( -0.269 0.000 1.561) 1.584 10.284 ( -4.134 0.000 0.568) 4.172 10.301 ( -1.218 0.000 -2.471) 2.754 10.302 ( -1.883 0.000 -0.302) 1.907 10.475 ( -4.195 0.000 2.571) 4.920 10.649 ( 0.744 0.000 0.564) 0.933 10.739 ( -7.422 0.000 3.065) 8.030 10.984 ( 5.051 0.000 -5.670) 7.593 11.007 ( -6.514 0.000 -15.553) 16.862 11.196 ( -3.947 0.000 -0.682) 4.005 11.306 ( -4.376 0.000 -0.590) 4.415 11.306 ( -1.303 0.000 1.936) 2.333 11.591 ( 1.649 0.000 -3.646) 4.001 11.725 ( 3.582 0.000 5.906) 6.907 11.812 ( -5.612 0.000 -2.886) 6.311 11.836 ( -3.460 0.000 2.700) 4.389 11.882 ( -6.343 0.000 1.813) 6.597 12.000 ( 0.220 0.000 -2.285) 2.296 12.092 ( 6.787 0.000 3.861) 7.808 12.307 ( -2.227 0.000 -4.066) 4.636 12.403 ( 2.413 0.000 -6.384) 6.825 12.509 ( 2.892 0.000 -0.850) 3.014 12.698 ( 0.969 0.000 1.206) 1.547 12.756 ( -0.218 0.000 -3.610) 3.617 12.816 ( 2.625 0.000 1.260) 2.911 13.026 ( -0.330 0.000 -0.391) 0.512 13.114 ( 3.532 0.000 -2.282) 4.204 13.224 ( 9.374 0.000 3.492) 10.003 13.406 ( 3.109 0.000 -9.070) 9.588 13.470 ( 2.900 0.000 -0.454) 2.935 13.471 ( 0.541 0.000 -1.965) 2.039 13.686 ( 1.841 0.000 -0.020) 1.841 13.856 ( -1.605 0.000 -2.464) 2.941 14.252 ( -18.738 0.000 -27.717) 33.456 14.255 ( 1.754 0.000 10.224) 10.373 14.342 ( 1.170 0.000 12.871) 12.924 14.660 ( -1.207 0.000 0.230) 1.229 15.082 ( 1.280 0.000 -2.485) 2.795 15.187 ( 14.051 0.000 -3.123) 14.394 15.873 ( -18.586 0.000 4.066) 19.025 16.024 ( -6.763 0.000 -5.386) 8.646 16.398 ( 0.267 0.000 7.124) 7.129 16.861 ( -7.658 0.000 -4.078) 8.676 16.933 ( -6.720 0.000 2.804) 7.282 17.617 ( 1.598 0.000 -13.694) 13.787 18.098 ( 13.049 0.000 8.575) 15.615 18.256 ( 42.363 0.000 53.142) 67.961 ======================= Grid point 84 (32/108) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -4.016 14.217 19.740) 24.656 0.887 ( 0.220 22.200 20.468) 30.196 1.337 ( 3.252 27.765 35.168) 44.925 1.737 ( -1.114 20.657 -8.738) 22.457 1.788 ( 3.761 0.303 -9.773) 10.476 2.299 ( -1.311 11.942 12.584) 17.398 2.918 ( 2.628 2.628 0.731) 3.788 2.934 ( -6.631 1.500 -3.534) 7.662 3.280 ( -0.239 0.620 -15.686) 15.701 3.509 ( 3.382 1.356 1.398) 3.902 3.617 ( 2.785 -6.523 -3.479) 7.900 3.731 ( 11.667 -2.609 -6.830) 13.769 3.872 ( -2.322 4.430 1.891) 5.347 4.004 ( -6.379 0.563 -0.175) 6.406 4.041 ( -12.251 3.460 -0.468) 12.739 4.187 ( -2.635 1.860 3.600) 4.834 4.333 ( -3.027 4.261 2.039) 5.610 4.472 ( 7.867 3.270 -0.206) 8.522 4.563 ( -6.238 3.664 -2.684) 7.717 4.648 ( -4.662 2.544 -4.493) 6.956 4.808 ( 7.200 0.130 3.561) 8.033 4.946 ( -3.770 -0.871 -0.149) 3.873 5.203 ( -5.082 11.361 -4.971) 13.402 5.380 ( -3.881 -1.020 2.134) 4.545 5.494 ( 2.272 1.356 0.951) 2.812 5.531 ( -2.357 4.740 -0.278) 5.301 6.131 ( 3.127 -2.537 -2.951) 4.992 6.184 ( 5.396 -0.431 1.914) 5.742 6.254 ( 5.216 -0.530 -3.273) 6.181 6.281 ( -9.292 -5.987 -4.334) 11.873 6.456 ( -0.584 -1.723 -2.783) 3.325 6.534 ( -4.833 2.875 -1.578) 5.841 6.583 ( 5.275 -4.299 -2.618) 7.291 6.662 ( 5.294 -0.809 -4.308) 6.873 6.828 ( 2.161 2.544 2.648) 4.261 6.856 ( -0.144 0.214 0.761) 0.803 6.964 ( 3.371 1.550 -0.978) 3.837 7.013 ( -0.190 -1.490 0.231) 1.520 7.136 ( 2.449 -8.165 1.985) 8.752 7.206 ( -5.035 -4.967 1.159) 7.167 7.326 ( 0.856 3.805 -0.315) 3.912 7.580 ( -2.803 3.499 -4.614) 6.433 7.837 ( -1.409 -0.916 -0.839) 1.879 7.961 ( 16.092 -8.935 15.203) 23.872 8.009 ( 1.708 -0.442 10.015) 10.169 8.119 ( 0.109 -7.532 -3.547) 8.326 8.179 ( 5.705 -10.382 10.572) 15.877 8.304 ( 8.507 -10.256 3.086) 13.677 8.461 ( -2.543 -1.044 5.429) 6.085 8.617 ( 1.595 -3.581 -0.555) 3.959 8.664 ( -1.838 -6.692 -5.340) 8.757 8.790 ( -0.549 7.136 -0.738) 7.195 8.892 ( -0.284 2.370 -1.544) 2.843 8.994 ( 2.266 -5.557 -5.882) 8.403 9.165 ( -3.085 5.084 3.990) 7.161 9.361 ( 1.166 0.980 -2.360) 2.809 9.417 ( -1.386 1.687 -0.582) 2.260 9.611 ( -1.521 -2.465 -2.794) 4.024 9.639 ( 8.328 0.366 3.182) 8.922 9.698 ( 1.695 -2.563 -0.313) 3.088 9.926 ( -6.735 -4.855 1.906) 8.518 9.956 ( 10.292 -1.592 1.037) 10.466 10.205 ( -1.217 -1.834 -0.857) 2.362 10.215 ( -3.571 -2.218 1.197) 4.371 10.304 ( -1.015 0.875 2.567) 2.895 10.437 ( -3.014 3.356 3.823) 5.913 10.468 ( -4.454 -8.604 1.895) 9.872 10.694 ( 0.900 1.146 1.399) 2.020 10.735 ( -0.567 3.758 1.200) 3.985 11.038 ( 0.733 -2.119 -8.727) 9.011 11.161 ( -2.213 4.086 -4.884) 6.741 11.244 ( 5.204 -3.542 0.556) 6.320 11.404 ( -1.802 5.775 1.347) 6.197 11.499 ( 1.783 -6.792 -1.019) 7.096 11.629 ( -3.537 -3.483 3.680) 6.179 11.778 ( -1.998 -2.505 4.890) 5.846 11.886 ( -5.550 2.521 5.319) 8.090 11.945 ( 5.066 0.370 -4.588) 6.845 12.053 ( 2.765 10.050 -10.110) 14.520 12.199 ( -5.087 4.051 -0.290) 6.509 12.329 ( 4.840 2.920 -4.525) 7.241 12.382 ( -7.150 -1.038 -2.322) 7.589 12.529 ( 2.484 1.806 -1.259) 3.319 12.637 ( -6.445 6.087 3.646) 9.585 12.690 ( -1.322 1.722 -2.192) 3.086 12.884 ( -2.429 6.018 0.715) 6.529 12.987 ( -1.988 0.889 -0.836) 2.333 13.100 ( 0.954 -0.302 7.280) 7.348 13.221 ( 1.603 -5.963 -3.242) 6.974 13.310 ( -4.017 1.508 -2.695) 5.067 13.427 ( 3.340 -2.845 1.581) 4.663 13.466 ( -3.986 5.084 -3.324) 7.265 13.579 ( 6.082 -1.579 -7.478) 9.768 13.861 ( 0.348 0.077 -0.420) 0.551 14.166 ( 3.691 2.413 6.719) 8.037 14.456 ( -3.221 1.587 15.534) 15.944 14.605 ( 3.996 7.074 -2.882) 8.620 14.693 ( 0.980 3.216 -1.990) 3.907 15.082 ( -0.938 -0.118 2.091) 2.295 15.459 ( 5.151 -2.588 -7.665) 9.591 15.514 ( -8.455 3.444 -1.242) 9.214 15.854 ( 1.911 -7.335 -5.443) 9.332 16.440 ( 0.612 -0.471 8.868) 8.901 16.779 ( 2.589 -2.161 1.473) 3.680 16.844 ( -2.710 0.017 0.984) 2.883 17.424 ( -3.176 -4.974 -16.736) 17.746 18.209 ( 4.447 -11.891 19.063) 22.904 18.798 ( -7.195 -13.801 1.206) 15.611 ======================= Grid point 85 (33/108) ======================= q-point: ( 0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 13.939 15.700 15.770) 26.258 1.168 ( 17.093 14.403 18.607) 29.083 1.653 ( 2.654 19.898 -8.556) 21.821 1.871 ( 23.627 13.630 25.654) 37.445 2.044 ( 21.235 6.572 -6.649) 23.202 2.387 ( 2.523 8.983 12.996) 15.998 2.785 ( -1.773 -0.757 -5.797) 6.109 2.934 ( -1.946 4.511 1.991) 5.300 3.081 ( -9.170 0.634 -15.346) 17.888 3.477 ( -9.064 -3.901 -6.228) 11.669 3.557 ( -13.693 3.438 5.774) 15.253 3.677 ( -8.741 2.201 3.439) 9.648 3.749 ( -3.946 1.291 -3.774) 5.611 3.880 ( 10.704 -1.285 -12.370) 16.409 4.102 ( 1.663 3.682 2.304) 4.651 4.292 ( 14.472 5.101 0.817) 15.366 4.453 ( 10.296 -0.864 4.972) 11.467 4.581 ( 6.490 2.248 1.250) 6.981 4.657 ( 10.584 2.171 0.003) 10.805 4.688 ( 6.588 1.199 1.378) 6.836 4.966 ( 5.355 0.851 -1.409) 5.602 5.002 ( 10.808 0.700 -4.764) 11.832 5.181 ( 3.851 5.655 2.420) 7.257 5.376 ( 3.979 1.675 -0.269) 4.325 5.479 ( 1.377 2.941 4.001) 5.153 5.694 ( 9.146 -1.361 2.795) 9.660 5.984 ( -16.449 -1.812 -5.076) 17.310 6.086 ( -7.804 0.955 -4.743) 9.182 6.216 ( -10.924 3.027 -1.213) 11.401 6.276 ( -1.044 -0.188 2.922) 3.108 6.323 ( 2.441 -2.176 -2.003) 3.835 6.424 ( -3.755 0.938 -4.701) 6.089 6.585 ( -2.953 -2.045 -0.569) 3.637 6.660 ( -12.741 -3.033 -2.659) 13.364 6.750 ( 0.941 -3.744 -4.738) 6.112 6.859 ( -6.294 -2.234 -0.726) 6.718 6.959 ( -1.611 0.741 0.482) 1.838 7.054 ( 1.621 -1.311 -4.299) 4.778 7.138 ( 1.609 -2.125 1.014) 2.852 7.277 ( 3.949 -5.226 0.633) 6.581 7.433 ( 10.443 4.616 -1.375) 11.501 7.565 ( 6.298 3.221 -1.138) 7.164 7.748 ( -5.786 -3.568 3.474) 7.634 7.964 ( -9.102 -1.433 0.331) 9.221 8.048 ( -0.597 -1.074 6.902) 7.011 8.169 ( -0.982 -10.341 -0.381) 10.394 8.330 ( 4.042 -8.711 1.530) 9.724 8.367 ( -8.878 -2.250 -0.491) 9.172 8.459 ( 0.194 -5.533 1.798) 5.821 8.679 ( 4.941 -5.004 -0.277) 7.038 8.700 ( 4.326 -5.174 -0.644) 6.775 8.835 ( 0.253 0.465 -1.736) 1.815 8.894 ( 4.648 -2.510 0.362) 5.295 9.014 ( -0.622 -4.720 0.923) 4.850 9.179 ( 1.824 4.352 1.823) 5.059 9.251 ( -8.280 2.847 -2.103) 9.005 9.411 ( -0.888 2.440 1.137) 2.834 9.580 ( -1.482 -9.206 1.541) 9.451 9.729 ( 4.556 -2.602 -0.012) 5.247 9.774 ( -0.051 -2.856 -0.735) 2.949 9.877 ( 0.746 -5.435 2.294) 5.946 10.058 ( -3.793 -1.467 4.095) 5.771 10.237 ( 5.677 -2.091 -3.394) 6.937 10.298 ( 11.741 -7.986 -7.191) 15.917 10.359 ( 2.693 0.226 2.588) 3.742 10.462 ( 5.755 -2.024 5.722) 8.364 10.509 ( 9.607 -3.099 -1.251) 10.171 10.710 ( 0.163 4.427 -0.443) 4.452 10.761 ( 0.549 5.536 3.506) 6.576 11.046 ( 3.488 -4.066 -3.532) 6.417 11.074 ( -1.247 1.138 -7.465) 7.653 11.360 ( 5.305 -0.992 -0.482) 5.418 11.424 ( 2.183 3.250 2.629) 4.716 11.529 ( 2.238 -5.242 -3.212) 6.543 11.591 ( -2.762 -1.349 3.660) 4.779 11.712 ( -8.323 -3.353 10.475) 13.793 11.867 ( 2.858 -0.236 -1.739) 3.354 11.969 ( -1.264 3.897 -3.876) 5.640 12.028 ( 2.261 11.876 -13.414) 18.058 12.121 ( -1.181 1.905 3.208) 3.913 12.300 ( -0.383 1.551 1.653) 2.299 12.377 ( 1.307 -0.804 -2.122) 2.618 12.551 ( -0.037 3.094 -3.180) 4.437 12.608 ( -1.096 7.025 4.373) 8.347 12.626 ( -2.712 3.245 -2.561) 4.945 12.828 ( -2.912 6.717 2.418) 7.710 12.960 ( -0.589 -0.518 -0.433) 0.896 13.091 ( -5.495 -0.605 2.292) 5.984 13.216 ( -1.055 -3.108 -0.378) 3.304 13.254 ( 0.968 6.676 -4.165) 7.928 13.325 ( -5.389 5.067 -7.959) 10.866 13.419 ( -3.445 2.824 -0.234) 4.460 13.713 ( 7.560 -5.444 -2.281) 9.591 13.884 ( 2.268 -3.341 0.714) 4.101 14.299 ( 0.988 1.657 6.816) 7.084 14.399 ( -3.441 -1.943 6.720) 7.796 14.624 ( -4.975 -2.583 4.765) 7.357 14.720 ( 2.092 5.937 1.744) 6.532 15.032 ( -4.223 0.253 -0.396) 4.249 15.216 ( -10.176 4.252 -9.024) 14.250 15.693 ( 12.675 -0.109 -3.248) 13.085 15.988 ( 14.152 -8.351 -2.635) 16.642 16.518 ( 1.046 -0.892 10.713) 10.801 16.849 ( 2.807 0.357 0.745) 2.926 16.904 ( 7.630 -4.992 0.015) 9.118 17.260 ( -2.993 -2.984 -13.794) 14.427 18.231 ( -19.003 -5.653 15.868) 25.394 18.414 ( -17.963 -3.785 6.485) 19.469 ======================= Grid point 86 (34/108) ======================= q-point: ( 0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 15.482 13.360 12.396) 23.913 1.652 ( 18.672 7.055 13.467) 24.079 1.701 ( 9.468 19.018 -4.991) 21.823 2.142 ( -2.641 3.915 -7.679) 9.015 2.312 ( -1.419 10.729 10.125) 14.820 2.571 ( -0.680 2.139 9.103) 9.375 2.755 ( -7.449 -0.146 -15.845) 17.509 2.993 ( 17.149 6.177 6.859) 19.476 3.032 ( 12.510 3.639 -3.521) 13.496 3.259 ( -14.523 3.603 8.683) 17.300 3.331 ( 6.391 -1.809 -3.970) 7.738 3.583 ( -3.732 4.731 5.668) 8.273 3.628 ( -2.227 3.974 -11.192) 12.083 4.063 ( 11.614 1.881 -7.437) 13.919 4.258 ( 10.632 -3.009 2.286) 11.284 4.552 ( 6.687 1.560 4.120) 8.008 4.639 ( 5.572 4.517 3.010) 7.779 4.751 ( 9.547 -4.363 5.321) 11.769 4.818 ( 5.794 -1.021 -0.591) 5.913 4.902 ( 12.739 0.213 1.278) 12.805 5.125 ( 11.976 0.068 0.599) 11.991 5.186 ( 9.663 0.604 -6.946) 11.916 5.268 ( 3.305 4.704 -0.197) 5.753 5.399 ( -10.586 0.976 -2.705) 10.970 5.564 ( 1.319 2.125 1.158) 2.756 5.621 ( -5.092 0.774 2.068) 5.551 5.739 ( -14.324 2.087 -2.369) 14.668 5.939 ( 3.314 -0.269 3.174) 4.597 6.026 ( -10.171 -2.042 -1.076) 10.429 6.210 ( -7.579 -1.401 0.798) 7.748 6.305 ( -4.635 2.983 -4.314) 6.999 6.399 ( -8.416 -5.889 -1.708) 10.413 6.433 ( 6.086 2.034 0.674) 6.452 6.549 ( 0.039 0.018 -0.871) 0.872 6.645 ( -9.205 -3.097 -5.997) 11.415 6.684 ( -3.925 2.406 -1.422) 4.818 6.916 ( -3.374 -5.335 1.649) 6.524 7.089 ( 3.265 -1.237 -2.967) 4.582 7.196 ( 4.318 -0.682 0.200) 4.376 7.350 ( 4.227 -2.202 -1.272) 4.933 7.574 ( 5.728 10.106 0.448) 11.625 7.657 ( -6.547 -2.495 1.838) 7.243 7.757 ( 7.797 -4.055 -0.381) 8.797 7.793 ( -8.068 0.346 2.384) 8.420 8.022 ( -4.773 -9.023 -3.599) 10.823 8.155 ( -5.833 -3.194 0.829) 6.702 8.176 ( -0.400 -6.936 -1.515) 7.111 8.343 ( 0.808 -2.767 0.071) 2.883 8.538 ( 6.347 0.721 -0.189) 6.391 8.691 ( -3.719 0.639 -6.966) 7.922 8.757 ( 1.168 0.262 -1.194) 1.691 8.793 ( 1.352 -2.800 0.366) 3.131 8.936 ( -2.608 -5.629 3.885) 7.320 9.001 ( -4.541 1.360 0.849) 4.816 9.157 ( 1.399 -0.795 0.526) 1.693 9.169 ( -4.306 1.252 2.970) 5.379 9.344 ( -6.556 0.620 1.692) 6.799 9.499 ( -6.153 -4.555 1.516) 7.804 9.815 ( 5.250 -6.908 -5.235) 10.133 9.837 ( 0.497 -1.316 2.154) 2.572 9.909 ( 9.438 -2.156 -2.548) 10.011 10.093 ( 1.951 -7.035 4.484) 8.567 10.289 ( 0.657 -2.326 0.706) 2.517 10.393 ( 5.367 -1.333 -2.578) 6.101 10.418 ( 1.217 -2.450 3.277) 4.269 10.668 ( 1.870 4.649 1.579) 5.254 10.678 ( 8.478 -3.847 1.885) 9.499 10.740 ( 4.970 -9.141 -1.643) 10.534 10.776 ( 1.296 6.070 -0.051) 6.207 11.035 ( 2.261 1.809 -3.781) 4.762 11.123 ( 5.521 -3.280 -4.735) 7.979 11.428 ( 0.280 -6.114 1.637) 6.335 11.455 ( -1.624 2.528 2.910) 4.183 11.552 ( 2.201 -3.753 -2.793) 5.170 11.567 ( -0.953 2.283 3.689) 4.442 11.657 ( -2.732 -0.209 5.123) 5.810 11.882 ( -1.514 1.839 -2.163) 3.217 11.943 ( 3.110 2.323 -2.566) 4.653 12.027 ( 6.803 8.117 -11.724) 15.800 12.167 ( 1.900 -3.022 3.238) 4.820 12.299 ( -1.673 -0.563 -2.612) 3.152 12.372 ( 0.032 -0.204 1.977) 1.988 12.474 ( -4.826 1.549 -1.611) 5.319 12.584 ( -0.210 5.964 -2.552) 6.491 12.623 ( 0.285 3.235 1.529) 3.589 12.813 ( -2.634 6.946 7.428) 10.505 12.947 ( -1.606 -1.530 0.266) 2.234 12.986 ( -4.236 -0.607 2.347) 4.881 13.170 ( -5.307 2.917 -6.327) 8.758 13.180 ( -3.318 3.802 1.671) 5.316 13.256 ( 1.481 8.077 -5.514) 9.891 13.355 ( -2.466 3.380 1.134) 4.335 13.807 ( 3.322 0.312 -1.165) 3.534 13.956 ( 4.133 -7.721 0.141) 8.759 14.200 ( -7.130 -1.557 2.817) 7.823 14.482 ( -5.435 -1.502 0.536) 5.664 14.545 ( 2.598 -4.772 10.566) 11.881 14.749 ( -1.452 6.357 1.566) 6.707 14.945 ( -2.952 -3.822 -4.294) 6.462 15.001 ( -5.698 10.622 -7.999) 14.467 15.904 ( 10.692 -0.341 -2.958) 11.099 16.319 ( 18.857 -8.666 1.161) 20.785 16.591 ( -1.173 -1.684 12.361) 12.530 16.923 ( -3.580 -6.866 -8.968) 11.849 16.952 ( 6.695 -0.245 0.544) 6.722 17.254 ( 7.722 -2.376 -3.340) 8.743 17.834 ( -21.005 5.192 7.009) 22.744 18.196 ( -15.085 -8.774 6.292) 18.550 ======================= Grid point 87 (35/108) ======================= q-point: ( 0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 11.237 8.190 7.413) 15.757 1.839 ( 10.391 13.581 -8.602) 19.142 1.941 ( -8.355 7.439 -1.703) 11.316 2.113 ( 6.100 7.878 7.705) 12.595 2.169 ( -6.915 2.684 10.077) 12.513 2.362 ( -15.598 7.217 3.911) 17.626 2.591 ( 2.879 1.599 -16.072) 16.406 3.044 ( -5.667 0.839 0.178) 5.732 3.100 ( -7.332 2.594 4.264) 8.870 3.240 ( 5.757 5.824 6.068) 10.193 3.558 ( 2.037 6.563 -10.221) 12.317 3.756 ( 23.056 3.006 -0.855) 23.267 3.943 ( 27.598 1.989 9.364) 29.211 4.176 ( 3.480 2.126 -2.995) 5.060 4.359 ( -9.172 1.050 0.077) 9.232 4.602 ( -2.894 2.758 4.124) 5.744 4.699 ( -0.161 1.232 1.099) 1.659 4.793 ( -7.256 -2.535 -1.457) 7.822 4.876 ( -2.063 0.328 -2.227) 3.053 5.035 ( 4.057 -5.751 2.069) 7.336 5.143 ( -5.107 1.383 -3.778) 6.501 5.221 ( 1.594 -1.716 2.960) 3.775 5.358 ( 9.365 1.962 -0.514) 9.582 5.459 ( 12.706 2.810 -0.076) 13.013 5.503 ( -0.883 2.189 -0.887) 2.522 5.603 ( 1.148 -1.001 -0.121) 1.528 5.672 ( -0.301 1.199 2.886) 3.140 5.769 ( -14.283 -0.662 -1.559) 14.383 6.016 ( 1.241 -4.080 1.465) 4.509 6.075 ( -4.688 -0.957 0.653) 4.829 6.247 ( 4.361 1.918 -2.186) 5.242 6.267 ( -7.500 -2.310 -0.224) 7.851 6.369 ( -4.260 -0.088 -4.675) 6.325 6.519 ( -0.186 0.742 -0.309) 0.825 6.600 ( -4.661 4.811 2.870) 7.287 6.690 ( 3.773 -5.590 -2.135) 7.073 6.956 ( 8.136 -3.778 3.507) 9.631 7.146 ( 3.688 -3.611 -2.170) 5.599 7.273 ( 1.932 -2.526 -0.042) 3.180 7.422 ( 3.535 -0.333 0.042) 3.551 7.490 ( -7.688 1.939 1.044) 7.997 7.635 ( -7.454 0.441 -1.012) 7.535 7.683 ( 2.447 10.242 0.644) 10.550 7.818 ( -0.276 -3.792 -0.662) 3.859 7.944 ( 1.088 -7.704 -3.431) 8.504 8.059 ( -2.495 -5.038 -2.767) 6.266 8.174 ( -0.953 -5.835 1.307) 6.055 8.433 ( 3.265 -4.859 -5.725) 8.188 8.527 ( -3.417 4.521 -0.726) 5.713 8.656 ( 2.605 3.722 -8.951) 10.038 8.756 ( 3.516 1.512 1.511) 4.115 8.841 ( 1.412 -2.215 1.955) 3.275 8.874 ( -6.118 -3.515 4.324) 8.275 8.933 ( -0.479 -0.152 0.129) 0.519 9.086 ( -4.815 -1.220 2.599) 5.606 9.161 ( -6.628 0.150 3.591) 7.540 9.266 ( 1.722 -1.587 -1.534) 2.800 9.411 ( -2.022 -4.931 -2.546) 5.906 9.868 ( 1.849 2.206 -1.884) 3.440 9.870 ( 3.181 -5.829 -5.182) 8.423 10.072 ( 5.960 -6.972 0.386) 9.180 10.115 ( -1.177 -4.273 2.377) 5.029 10.319 ( 0.884 -3.653 4.365) 5.760 10.420 ( -3.336 -1.697 4.034) 5.503 10.485 ( 4.900 -0.726 -3.105) 5.846 10.673 ( -3.284 -2.096 1.058) 4.037 10.690 ( -2.654 2.959 2.962) 4.958 10.739 ( -2.718 -1.841 0.465) 3.316 10.934 ( 8.976 -3.577 -2.274) 9.927 11.098 ( 4.888 0.017 -3.372) 5.938 11.218 ( 7.540 -2.612 -2.148) 8.263 11.377 ( -7.475 3.673 1.924) 8.548 11.411 ( -1.928 -0.292 -0.495) 2.011 11.565 ( -3.151 0.973 7.373) 8.077 11.583 ( 3.362 -2.873 0.470) 4.448 11.675 ( 2.156 2.106 -0.470) 3.050 11.883 ( 2.183 0.490 -2.058) 3.040 11.982 ( 1.986 -1.766 -1.131) 2.889 12.120 ( 5.452 5.013 -4.487) 8.660 12.195 ( 1.508 -6.090 -2.617) 6.798 12.256 ( -0.389 -0.657 -0.109) 0.771 12.342 ( -3.456 2.356 -3.977) 5.771 12.429 ( 0.543 -0.227 3.264) 3.316 12.572 ( -1.376 0.965 1.123) 2.021 12.639 ( 1.994 4.012 -1.979) 4.897 12.790 ( -2.909 4.886 4.674) 7.361 12.903 ( -3.169 -0.525 4.943) 5.895 12.979 ( -0.065 0.088 3.864) 3.866 13.056 ( -2.073 6.588 -4.335) 8.154 13.143 ( -1.598 3.072 2.344) 4.182 13.248 ( 1.722 6.990 -5.078) 8.810 13.361 ( 1.575 5.142 2.954) 6.136 13.828 ( -1.147 3.346 0.344) 3.554 13.986 ( -0.148 -10.769 -4.151) 11.542 14.150 ( -1.316 -2.627 4.243) 5.161 14.358 ( -3.553 -6.289 1.488) 7.375 14.650 ( -7.498 10.506 -2.459) 13.140 14.686 ( 3.672 0.835 5.023) 6.278 14.884 ( 2.449 2.018 -5.324) 6.198 14.945 ( 0.514 2.391 -1.295) 2.767 16.067 ( 7.782 0.417 -1.862) 8.013 16.582 ( -5.959 -3.926 11.387) 13.438 16.645 ( 3.504 -4.782 -1.448) 6.103 16.787 ( 3.358 -9.720 -3.669) 10.918 17.115 ( 7.660 1.356 4.099) 8.793 17.353 ( 0.568 -5.224 -0.455) 5.275 17.597 ( -2.806 4.788 -2.356) 6.029 17.894 ( -16.918 -5.804 -0.544) 17.894 ======================= Grid point 88 (36/108) ======================= q-point: (-0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -20.454 9.570 -1.584) 22.638 1.671 ( -26.602 5.491 -0.571) 27.169 2.016 ( 5.848 9.866 -2.188) 11.676 2.132 ( 12.001 6.093 5.786) 14.650 2.152 ( -4.913 13.461 -0.236) 14.332 2.503 ( 9.026 1.912 12.837) 15.809 2.681 ( 12.384 2.837 -8.379) 15.219 2.884 ( -3.202 7.533 -0.472) 8.199 3.095 ( 3.581 -3.340 -5.106) 7.075 3.418 ( 6.844 2.682 6.746) 9.977 3.570 ( 1.976 8.361 0.462) 8.604 3.647 ( -40.905 6.365 -1.095) 41.412 3.970 ( -15.514 2.344 5.622) 16.667 4.066 ( 2.358 5.275 -8.151) 9.991 4.420 ( -0.101 -2.905 3.255) 4.364 4.616 ( -3.110 -0.254 1.182) 3.337 4.707 ( 0.942 2.138 2.089) 3.134 4.775 ( 0.414 0.703 -5.495) 5.555 4.840 ( 4.493 -1.238 -0.249) 4.667 4.993 ( -6.874 -5.291 -0.278) 8.679 5.171 ( 4.651 1.172 2.116) 5.242 5.260 ( 3.433 -0.438 3.576) 4.977 5.392 ( -15.538 3.843 -2.173) 16.153 5.430 ( 2.100 -2.621 -2.350) 4.099 5.551 ( 2.032 -1.669 3.533) 4.404 5.616 ( 2.321 0.743 2.526) 3.510 5.718 ( 5.796 1.460 -0.500) 5.998 5.781 ( 8.348 -0.810 -2.637) 8.792 6.001 ( -2.387 -0.718 2.028) 3.213 6.012 ( -1.813 -0.589 0.494) 1.969 6.237 ( 7.372 -4.151 -1.479) 8.589 6.332 ( 2.357 1.299 0.542) 2.746 6.426 ( -2.818 1.483 -5.102) 6.014 6.468 ( 11.858 2.963 -1.169) 12.279 6.625 ( 5.370 -2.811 4.021) 7.274 6.750 ( 3.978 -8.364 -0.994) 9.315 6.934 ( -12.743 -0.193 3.132) 13.124 7.203 ( -0.946 -2.187 1.045) 2.602 7.302 ( 0.901 -2.764 1.403) 3.228 7.445 ( 2.145 -3.259 -3.328) 5.128 7.491 ( 5.768 -0.755 -0.687) 5.858 7.569 ( -0.029 6.054 3.152) 6.826 7.681 ( -0.169 6.630 1.794) 6.870 7.829 ( 0.081 0.137 -0.081) 0.179 7.940 ( -1.938 -6.467 -6.704) 9.514 8.018 ( 1.294 -4.954 -4.505) 6.820 8.157 ( -1.067 -6.297 0.022) 6.387 8.315 ( -3.609 1.084 -5.428) 6.608 8.550 ( -2.027 1.019 -5.478) 5.930 8.603 ( -0.153 0.619 -5.464) 5.502 8.793 ( -2.484 -2.854 0.979) 3.908 8.850 ( 3.505 -0.962 3.552) 5.082 8.921 ( 0.518 0.659 1.272) 1.523 8.969 ( 2.728 0.053 1.644) 3.186 9.033 ( 2.584 -1.279 0.739) 2.977 9.074 ( -0.583 0.632 2.943) 3.066 9.284 ( -1.539 -3.966 0.116) 4.255 9.391 ( 1.262 -2.833 -2.614) 4.056 9.852 ( -1.006 0.392 -4.108) 4.248 9.904 ( 3.175 -2.626 -3.214) 5.225 10.060 ( -5.049 -5.273 2.675) 7.776 10.139 ( -1.487 -4.751 0.233) 4.983 10.298 ( -7.963 -5.606 1.894) 9.920 10.384 ( -0.268 -2.417 5.664) 6.164 10.515 ( -7.612 -2.755 -0.560) 8.114 10.538 ( 1.360 2.322 -2.326) 3.557 10.671 ( -2.773 3.348 0.706) 4.404 10.755 ( 3.098 -2.996 1.185) 4.470 10.966 ( -2.558 -4.023 -2.069) 5.198 11.181 ( -6.829 -5.742 2.566) 9.284 11.214 ( 4.331 0.806 -3.744) 5.782 11.344 ( -2.084 1.921 0.784) 2.940 11.421 ( 7.112 2.208 -1.562) 7.609 11.580 ( 1.151 4.587 2.555) 5.375 11.632 ( -1.059 -1.055 -1.754) 2.305 11.714 ( 1.843 -0.795 8.555) 8.787 11.901 ( 0.107 -1.263 -1.255) 1.783 11.988 ( -1.156 -4.074 0.252) 4.242 12.154 ( -0.062 2.833 1.047) 3.021 12.187 ( -1.663 1.994 -5.626) 6.197 12.256 ( 2.459 -3.074 -4.328) 5.851 12.342 ( 6.020 0.610 -2.563) 6.571 12.456 ( 0.796 2.033 0.470) 2.233 12.556 ( -0.061 -0.657 0.983) 1.184 12.676 ( 2.699 2.908 -1.231) 4.154 12.777 ( -0.658 3.067 3.269) 4.531 12.898 ( -0.460 -0.191 6.992) 7.010 13.023 ( 2.275 1.429 4.055) 4.864 13.045 ( 1.602 6.453 -0.401) 6.660 13.150 ( 1.276 -0.377 0.605) 1.461 13.290 ( 5.426 6.973 -3.214) 9.402 13.426 ( 2.875 4.289 2.430) 5.706 13.772 ( -3.980 2.251 -0.408) 4.591 13.945 ( -1.765 -6.458 -3.022) 7.345 14.118 ( -2.687 -2.699 3.060) 4.886 14.410 ( 5.186 -8.559 2.050) 10.215 14.480 ( -7.767 7.431 -1.507) 10.855 14.722 ( 0.824 -0.688 -3.956) 4.099 14.957 ( 1.688 0.941 -1.840) 2.668 14.995 ( 8.381 9.364 0.710) 12.587 16.183 ( 4.024 0.472 1.635) 4.369 16.437 ( -11.163 -4.576 -1.720) 12.186 16.461 ( -13.368 -3.803 3.436) 14.317 16.995 ( 5.922 -10.854 3.547) 12.863 17.206 ( -1.352 -1.654 6.509) 6.851 17.405 ( 4.925 0.206 4.998) 7.020 17.561 ( -6.452 3.422 -4.182) 8.416 17.675 ( 6.422 -3.331 -9.891) 12.255 ======================= Grid point 89 (37/108) ======================= q-point: (-0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -19.910 15.272 2.424) 25.210 1.181 ( -24.203 10.855 6.683) 27.355 1.912 ( -8.258 13.404 -0.460) 15.750 2.137 ( -10.782 10.000 0.904) 14.733 2.293 ( -0.377 6.582 0.614) 6.621 2.524 ( -13.005 8.817 7.505) 17.412 2.844 ( -24.810 6.075 2.940) 25.711 2.894 ( 11.625 1.510 -3.955) 12.372 3.074 ( 15.830 2.789 0.590) 16.085 3.160 ( 8.086 0.359 -11.951) 14.434 3.498 ( -12.558 -1.579 8.686) 15.351 3.610 ( 8.166 2.141 3.252) 9.047 3.743 ( -3.357 5.257 -1.492) 6.413 4.126 ( 7.340 2.913 -7.561) 10.933 4.289 ( -9.298 1.062 3.039) 9.840 4.514 ( -7.702 -2.761 0.946) 8.236 4.586 ( -14.144 -0.321 2.159) 14.311 4.648 ( -9.533 2.764 3.423) 10.499 4.827 ( -3.583 -0.424 1.744) 4.007 4.843 ( -8.995 0.330 -0.371) 9.009 5.108 ( -7.042 0.587 0.286) 7.073 5.174 ( -6.871 1.472 -0.790) 7.071 5.356 ( -11.488 -4.412 -5.936) 13.663 5.517 ( 12.406 2.182 -4.116) 13.252 5.590 ( -1.235 3.371 6.808) 7.697 5.644 ( -7.083 -2.343 2.981) 8.034 5.837 ( 12.567 0.552 -1.815) 12.710 5.884 ( 6.133 -0.900 0.393) 6.211 6.026 ( 5.474 1.217 -0.769) 5.660 6.114 ( 11.609 -0.413 2.489) 11.880 6.353 ( 3.838 -1.003 -1.244) 4.158 6.447 ( 7.156 3.416 -0.313) 7.936 6.504 ( 12.217 -5.024 -1.175) 13.262 6.594 ( 1.472 -4.038 -0.229) 4.305 6.677 ( -6.114 -0.678 -4.614) 7.690 6.810 ( 8.462 -5.955 2.709) 10.696 6.880 ( 5.022 -5.133 0.524) 7.200 7.137 ( -3.355 2.691 -1.635) 4.601 7.299 ( -2.754 -2.431 5.743) 6.817 7.437 ( -1.790 2.351 -3.278) 4.413 7.564 ( 1.197 0.839 1.479) 2.080 7.616 ( 3.197 3.616 1.037) 4.936 7.713 ( -10.612 -8.120 -8.639) 15.912 7.785 ( -1.640 -6.414 -4.151) 7.814 7.810 ( 2.881 4.184 2.733) 5.769 8.011 ( 0.440 -1.738 -7.344) 7.559 8.141 ( -0.157 -6.203 -1.087) 6.299 8.303 ( 2.736 2.459 -0.070) 3.679 8.414 ( -6.497 -4.860 -3.770) 8.947 8.599 ( 4.430 -3.582 -5.783) 8.118 8.755 ( -2.819 -1.784 -0.348) 3.354 8.835 ( -4.928 1.843 -1.074) 5.370 8.971 ( 4.141 -3.000 5.076) 7.205 8.994 ( 1.676 1.097 0.927) 2.207 9.112 ( 0.672 3.064 2.134) 3.793 9.257 ( 6.221 -3.085 3.133) 7.618 9.279 ( 9.233 1.234 1.372) 9.415 9.393 ( -0.195 -0.556 -1.550) 1.658 9.769 ( -4.674 -0.215 -3.651) 5.935 9.895 ( -8.158 -5.494 3.256) 10.361 9.984 ( -10.836 -1.300 -1.181) 10.978 10.019 ( 2.903 -3.469 -1.216) 4.684 10.170 ( -4.934 -8.105 0.549) 9.505 10.352 ( -3.001 0.039 -2.788) 4.097 10.472 ( 0.002 -2.524 3.794) 4.557 10.523 ( -1.270 4.003 -0.551) 4.235 10.631 ( -2.947 1.008 2.336) 3.893 10.787 ( -1.357 -4.561 -0.272) 4.766 10.876 ( -5.580 -2.805 0.025) 6.246 11.060 ( -1.854 -5.669 -2.944) 6.651 11.251 ( -3.718 -3.319 0.132) 4.986 11.298 ( 0.074 0.308 -1.289) 1.327 11.501 ( 0.365 5.038 -0.193) 5.055 11.544 ( -3.292 -2.157 -3.586) 5.325 11.653 ( 2.196 2.121 5.429) 6.229 11.764 ( -2.726 -3.651 5.545) 7.177 11.890 ( 0.055 -3.178 -2.661) 4.145 11.983 ( 1.185 0.981 1.005) 1.838 12.103 ( -4.721 4.717 1.916) 6.943 12.159 ( 1.963 9.633 -3.951) 10.595 12.274 ( 2.330 -2.862 -5.270) 6.434 12.440 ( 2.000 -1.058 0.273) 2.279 12.487 ( 3.984 3.782 -4.644) 7.193 12.600 ( 4.425 -1.972 0.718) 4.898 12.733 ( 3.718 2.418 -0.008) 4.435 12.807 ( 1.850 3.447 2.560) 4.675 12.969 ( 1.963 -3.161 9.196) 9.921 13.063 ( -0.468 4.699 2.129) 5.180 13.106 ( 4.325 5.273 -0.766) 6.863 13.202 ( 2.739 -9.982 3.072) 10.797 13.396 ( 6.766 5.544 -5.833) 10.514 13.491 ( 3.312 3.670 0.070) 4.944 13.686 ( -4.027 0.439 -2.368) 4.692 13.893 ( -2.077 -1.277 -0.375) 2.467 14.119 ( -0.086 -4.296 4.941) 6.548 14.327 ( -6.707 2.940 3.360) 8.057 14.536 ( 5.919 -4.268 -2.272) 7.643 14.701 ( 0.894 1.191 -7.445) 7.592 14.985 ( 2.569 -3.561 -1.627) 4.683 15.168 ( 8.915 14.203 -1.142) 16.808 16.133 ( -14.938 -4.157 6.436) 16.789 16.174 ( -11.569 -5.469 -6.289) 14.258 16.336 ( 0.328 -0.418 4.587) 4.618 16.971 ( -6.853 -6.079 1.208) 9.240 17.106 ( -11.349 -1.319 0.551) 11.439 17.533 ( 9.928 -2.659 10.201) 14.481 17.595 ( 5.290 -1.304 -4.782) 7.250 17.895 ( 18.773 4.767 2.187) 19.492 ======================= Grid point 90 (38/108) ======================= q-point: (-0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -12.454 21.611 12.813) 28.041 0.873 ( -14.014 14.786 21.537) 29.646 1.562 ( -36.840 20.668 14.259) 44.583 1.807 ( -4.787 14.025 -5.505) 15.809 2.044 ( -18.770 7.314 -7.480) 21.488 2.303 ( -6.254 11.820 8.922) 16.075 2.814 ( 5.771 1.847 2.877) 6.707 3.009 ( 2.058 2.300 -1.180) 3.304 3.318 ( 2.411 -0.089 -8.043) 8.397 3.373 ( 14.780 0.227 -2.465) 14.986 3.460 ( 14.651 -1.577 -5.027) 15.569 3.616 ( -4.957 0.046 -2.472) 5.540 3.775 ( 4.925 0.915 3.137) 5.910 4.179 ( -4.752 -1.950 -0.675) 5.181 4.251 ( 2.395 1.470 0.103) 2.812 4.317 ( -10.353 2.440 1.345) 10.721 4.386 ( -10.672 2.002 -0.042) 10.858 4.419 ( -8.293 4.653 4.582) 10.556 4.696 ( -4.414 -0.897 3.759) 5.866 4.786 ( -5.428 -0.703 2.201) 5.900 4.923 ( -15.167 -0.989 -6.983) 16.726 5.081 ( -5.120 -0.772 -0.605) 5.213 5.174 ( 5.335 5.159 1.158) 7.511 5.464 ( -9.161 -3.176 5.212) 11.009 5.530 ( -2.743 3.090 -5.194) 6.637 5.599 ( -4.044 4.386 8.239) 10.173 6.034 ( 8.351 -0.619 -4.717) 9.611 6.080 ( 10.345 0.098 -4.120) 11.135 6.165 ( 6.356 0.633 -1.290) 6.516 6.335 ( 8.453 -6.180 0.946) 10.514 6.427 ( 2.307 -1.478 1.022) 2.924 6.506 ( -2.341 1.073 -5.479) 6.054 6.566 ( 5.222 1.674 -3.500) 6.505 6.659 ( 1.443 -3.838 -2.716) 4.918 6.737 ( 7.120 -6.847 -3.722) 10.556 6.878 ( -0.480 -0.858 -6.306) 6.383 6.940 ( 0.751 -5.030 1.369) 5.267 7.083 ( -4.605 -0.033 -2.599) 5.288 7.244 ( -8.434 -3.809 -8.698) 12.700 7.266 ( -8.315 -3.940 1.133) 9.271 7.337 ( -6.539 7.079 1.228) 9.715 7.661 ( -0.609 1.395 -3.782) 4.076 7.688 ( -1.442 -5.075 7.972) 9.559 7.749 ( 7.522 -0.829 2.602) 8.003 7.909 ( 4.387 7.814 6.533) 11.090 8.054 ( 6.749 -5.755 -0.422) 8.880 8.120 ( -3.108 -4.575 0.781) 5.586 8.261 ( -2.479 -9.017 -1.690) 9.503 8.421 ( 3.450 -1.271 4.694) 5.963 8.641 ( -2.229 -1.649 -2.739) 3.897 8.692 ( 0.633 -5.622 -1.566) 5.870 8.797 ( 2.213 8.496 -3.672) 9.516 8.954 ( -6.274 -3.099 3.194) 7.692 9.035 ( -0.003 -5.219 -0.326) 5.229 9.171 ( 1.663 5.504 2.078) 6.114 9.317 ( 0.617 2.008 -3.749) 4.297 9.399 ( 7.052 -0.629 3.526) 7.909 9.472 ( 0.335 1.930 3.244) 3.790 9.714 ( 1.091 -4.051 -1.457) 4.441 9.772 ( -9.333 -1.220 -0.698) 9.439 9.782 ( 1.030 -0.468 0.184) 1.146 10.031 ( -4.581 -4.851 2.753) 7.218 10.155 ( 4.548 -4.691 -2.724) 7.079 10.282 ( -3.145 -1.716 -0.774) 3.665 10.439 ( -6.850 2.148 1.330) 7.301 10.493 ( -3.107 1.368 1.866) 3.874 10.560 ( -5.580 -3.241 2.754) 7.016 10.710 ( -3.477 -8.953 -1.507) 9.722 10.778 ( -4.494 0.552 1.674) 4.827 11.073 ( 4.426 -1.849 -9.012) 10.209 11.158 ( -3.708 -2.894 1.388) 4.905 11.268 ( -2.244 1.019 -3.167) 4.013 11.455 ( -3.816 6.459 1.439) 7.639 11.491 ( -0.811 -6.833 -0.603) 6.907 11.681 ( -3.387 -4.847 3.589) 6.918 11.761 ( 0.563 1.147 4.674) 4.845 11.880 ( 2.151 -0.711 -3.848) 4.465 11.977 ( -4.507 1.177 2.449) 5.263 12.045 ( 1.201 10.383 -4.083) 11.222 12.225 ( 3.531 8.240 1.592) 9.105 12.279 ( 1.530 -0.144 -5.238) 5.459 12.459 ( 0.366 -3.793 -1.013) 3.943 12.503 ( 1.596 5.684 -5.177) 7.852 12.686 ( 2.700 -0.565 -0.279) 2.773 12.778 ( -0.799 0.486 -5.504) 5.583 12.869 ( 2.415 4.076 2.996) 5.605 13.032 ( -3.179 -3.955 10.976) 12.092 13.049 ( -1.037 2.338 2.130) 3.329 13.186 ( 4.774 -3.944 -3.596) 7.161 13.280 ( 2.111 -10.184 10.365) 14.683 13.419 ( -0.317 -0.093 -8.829) 8.835 13.540 ( -0.058 6.267 -0.315) 6.275 13.586 ( -0.641 1.435 -12.103) 12.205 13.866 ( -0.968 0.992 0.940) 1.675 14.124 ( -1.862 -0.863 3.536) 4.088 14.334 ( 2.017 2.054 15.447) 15.713 14.583 ( 3.308 5.881 -10.479) 12.464 14.689 ( 1.430 2.884 -3.725) 4.923 15.043 ( 3.069 -5.112 1.406) 6.126 15.315 ( 8.514 11.322 -4.865) 14.979 15.824 ( -17.555 -4.375 1.713) 18.173 15.952 ( -7.636 -6.412 -5.150) 11.223 16.388 ( 0.504 -0.849 6.610) 6.683 16.819 ( -6.506 -2.987 -0.963) 7.223 16.932 ( -7.218 -0.143 2.228) 7.555 17.552 ( 0.170 -4.467 -14.886) 15.543 17.910 ( 13.626 -9.607 18.601) 24.980 18.423 ( 29.376 2.794 14.419) 32.843 ======================= Grid point 91 (39/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.345 14.841 11.259) 18.927 1.241 ( 1.928 15.731 21.336) 26.578 1.744 ( 3.354 2.171 -0.478) 4.024 2.092 ( 2.333 33.581 8.515) 34.723 2.225 ( -0.511 24.731 -7.564) 25.867 2.623 ( -2.394 18.789 8.754) 20.865 2.940 ( -4.537 1.042 -2.806) 5.435 3.049 ( 0.429 7.988 -0.193) 8.002 3.244 ( 0.340 -5.061 -9.647) 10.899 3.495 ( -0.949 -0.848 -4.828) 4.993 3.583 ( 5.059 2.839 0.358) 5.813 3.708 ( 13.039 0.951 -6.740) 14.709 3.947 ( -8.863 2.823 4.525) 10.344 4.024 ( -2.050 1.451 0.879) 2.661 4.107 ( -8.132 3.148 0.800) 8.757 4.279 ( 0.980 5.853 0.699) 5.975 4.457 ( -5.675 8.141 3.562) 10.543 4.580 ( 5.665 5.953 -1.535) 8.360 4.628 ( -0.496 4.130 -5.885) 7.206 4.729 ( -4.645 4.365 -1.266) 6.499 4.816 ( 7.219 0.910 3.854) 8.234 4.948 ( -0.612 1.719 -0.885) 2.028 5.317 ( -1.424 0.657 0.932) 1.825 5.398 ( -1.989 1.730 2.580) 3.688 5.549 ( -0.821 5.387 -3.116) 6.277 5.640 ( -3.508 5.412 -0.870) 6.508 6.080 ( -1.280 -5.006 -0.939) 5.252 6.109 ( -1.924 -6.735 -0.973) 7.072 6.158 ( 3.122 -0.828 1.191) 3.443 6.211 ( 4.418 -5.432 0.466) 7.018 6.450 ( 6.061 -0.192 -4.480) 7.539 6.495 ( -0.404 -2.683 -3.800) 4.670 6.597 ( -4.352 1.388 -2.125) 5.038 6.648 ( 3.156 -1.504 -6.474) 7.358 6.701 ( -2.060 -8.477 3.887) 9.550 6.823 ( -0.366 -6.687 2.560) 7.170 6.952 ( 0.856 -4.235 0.144) 4.323 6.974 ( 3.752 -5.359 -1.583) 6.731 7.077 ( 0.209 2.084 3.449) 4.035 7.158 ( -2.762 3.095 1.546) 4.427 7.410 ( -2.588 3.270 -1.099) 4.313 7.593 ( 1.068 -1.767 -4.943) 5.357 7.720 ( 5.654 -8.868 8.049) 13.244 7.855 ( 0.196 -0.403 -4.397) 4.419 7.915 ( 2.102 -8.462 2.305) 9.018 7.995 ( 0.587 -3.741 4.815) 6.126 8.020 ( 1.999 -7.558 5.492) 9.554 8.256 ( 3.941 2.018 6.197) 7.616 8.409 ( -3.825 -9.654 -2.405) 10.659 8.447 ( -5.389 -2.330 1.805) 6.142 8.572 ( 3.121 -3.966 0.909) 5.128 8.814 ( 0.677 -4.571 -1.517) 4.863 8.887 ( -0.789 -2.443 -1.913) 3.202 9.054 ( 0.518 10.883 -4.742) 11.883 9.270 ( -2.160 0.212 0.529) 2.234 9.301 ( 2.151 -5.906 -1.816) 6.543 9.391 ( -0.042 -1.574 0.926) 1.827 9.571 ( 2.764 -0.463 -1.486) 3.172 9.631 ( -1.699 -2.477 -0.300) 3.019 9.653 ( -1.718 -0.086 3.012) 3.468 9.875 ( -1.546 0.124 1.313) 2.032 9.925 ( 5.830 -1.319 2.425) 6.450 10.154 ( -0.401 -2.922 -3.136) 4.305 10.181 ( -1.130 -0.234 1.249) 1.700 10.280 ( 1.423 -2.554 2.957) 4.159 10.380 ( -6.462 -0.240 3.921) 7.562 10.500 ( -1.907 2.667 2.840) 4.338 10.736 ( 4.714 2.207 -0.122) 5.206 10.818 ( -0.058 3.278 2.158) 3.926 10.984 ( 0.041 -3.544 -5.801) 6.799 11.116 ( 0.689 -7.217 3.710) 8.144 11.223 ( -0.481 1.712 -3.180) 3.644 11.372 ( 2.946 -3.746 -1.847) 5.111 11.456 ( -0.841 -1.671 -3.201) 3.708 11.676 ( -3.795 4.628 3.317) 6.843 11.720 ( -3.348 0.007 7.607) 8.311 11.881 ( -2.113 -1.187 -0.279) 2.440 11.971 ( 2.796 0.781 -1.224) 3.150 12.189 ( -1.031 4.193 -5.664) 7.122 12.270 ( -0.385 2.448 -2.449) 3.484 12.363 ( -0.464 -1.064 -0.402) 1.228 12.388 ( -1.823 0.151 -1.984) 2.698 12.550 ( 4.457 -1.162 -8.258) 9.455 12.708 ( 1.088 2.418 -2.231) 3.465 12.788 ( -1.883 5.095 2.665) 6.050 12.941 ( -1.338 -0.729 1.662) 2.255 13.022 ( 0.086 -0.674 2.232) 2.333 13.098 ( 0.564 5.296 3.927) 6.617 13.196 ( -1.891 6.723 3.947) 8.022 13.305 ( 1.917 -1.598 7.291) 7.706 13.397 ( 3.541 1.332 -6.039) 7.126 13.585 ( -0.688 5.219 -9.718) 11.052 13.674 ( -1.474 4.550 -6.584) 8.138 13.907 ( -2.557 7.319 2.434) 8.125 14.189 ( 3.492 -0.970 7.422) 8.260 14.534 ( -2.822 5.537 12.098) 13.600 14.664 ( -0.292 0.530 -5.321) 5.355 14.714 ( 1.361 -0.561 2.064) 2.535 15.010 ( -0.762 -5.904 9.031) 10.816 15.323 ( -1.626 -8.850 -6.352) 11.014 15.576 ( 1.078 -7.523 -6.708) 10.137 15.789 ( 0.097 8.528 -9.088) 12.462 16.429 ( 0.843 -0.397 8.119) 8.173 16.738 ( 1.705 -1.813 0.047) 2.489 16.852 ( -2.147 0.918 1.548) 2.802 17.331 ( -2.619 -4.260 -14.213) 15.067 17.937 ( 4.003 -14.844 16.054) 22.228 18.524 ( -1.804 -13.741 -2.562) 14.094 ======================= Grid point 92 (40/108) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 19.638 14.146 11.009) 26.589 1.478 ( 9.167 14.923 18.474) 25.457 1.967 ( 14.521 4.417 -4.943) 15.962 2.179 ( 5.963 24.195 2.195) 25.015 2.419 ( 19.025 22.893 3.777) 30.006 2.622 ( -2.931 13.274 8.298) 15.926 2.793 ( -3.437 2.068 -4.129) 5.756 3.060 ( -2.525 6.970 -2.908) 7.963 3.093 ( -4.841 1.380 -9.124) 10.420 3.412 ( -7.596 -1.148 -3.203) 8.324 3.651 ( -10.788 5.183 2.884) 12.311 3.749 ( -6.840 4.746 2.517) 8.697 3.761 ( -0.383 0.651 2.550) 2.660 3.904 ( 10.767 3.653 -13.233) 17.447 4.203 ( -1.946 6.045 1.113) 6.447 4.405 ( 13.331 4.580 0.807) 14.118 4.447 ( 4.972 1.679 6.182) 8.109 4.637 ( 7.136 2.251 -3.257) 8.161 4.718 ( 3.788 2.093 0.773) 4.396 4.742 ( 6.242 6.002 3.482) 9.333 4.993 ( 7.017 1.354 0.478) 7.162 5.020 ( 7.654 1.535 -5.323) 9.449 5.282 ( -0.109 3.734 1.321) 3.963 5.381 ( 3.435 -0.509 3.386) 4.850 5.583 ( 1.946 6.016 0.900) 6.387 5.684 ( 5.355 1.296 -0.114) 5.511 5.928 ( -9.739 -3.681 -3.570) 11.007 6.076 ( -4.190 -1.113 -1.960) 4.758 6.199 ( 0.861 -4.744 2.233) 5.313 6.265 ( -0.323 -2.689 0.419) 2.740 6.324 ( -15.316 2.640 -2.093) 15.683 6.477 ( -1.927 2.302 -4.195) 5.159 6.520 ( 0.156 -4.290 2.907) 5.185 6.584 ( -9.022 -2.423 -2.235) 9.606 6.641 ( -1.181 -4.198 -5.139) 6.740 6.781 ( -5.548 -7.009 -0.564) 8.957 6.953 ( -1.719 -6.322 -1.526) 6.727 7.019 ( -0.110 1.768 1.199) 2.139 7.114 ( 7.932 -2.810 -2.064) 8.665 7.214 ( 1.898 1.811 1.943) 3.265 7.463 ( 8.743 -2.173 -2.594) 9.375 7.601 ( 2.009 -0.554 1.559) 2.602 7.743 ( -0.461 1.135 -7.401) 7.502 7.810 ( -3.631 -10.311 3.179) 11.385 7.902 ( -3.118 -10.085 -0.907) 10.595 8.058 ( -0.942 -3.931 5.947) 7.190 8.161 ( -0.756 -2.746 5.297) 6.014 8.354 ( -3.181 -3.230 1.834) 4.890 8.392 ( 7.459 -10.282 4.368) 13.433 8.398 ( 7.508 -3.156 1.369) 8.258 8.641 ( 2.746 -3.424 -0.350) 4.403 8.832 ( -0.898 -6.366 -1.369) 6.573 8.843 ( -1.497 0.476 -0.562) 1.669 9.040 ( 1.706 5.595 -3.067) 6.605 9.254 ( -5.862 -1.245 -1.269) 6.126 9.295 ( 2.786 1.712 0.932) 3.400 9.380 ( -2.480 -4.167 2.216) 5.331 9.462 ( -5.273 -0.677 -1.493) 5.522 9.670 ( 0.544 -3.829 1.972) 4.341 9.699 ( 1.659 -2.854 -1.494) 3.623 9.790 ( -1.181 -2.818 0.520) 3.099 10.041 ( -3.448 -1.711 5.381) 6.616 10.163 ( 3.629 -4.293 -0.040) 5.622 10.195 ( 6.234 -2.033 -5.428) 8.513 10.364 ( 4.686 0.648 0.215) 4.736 10.378 ( 4.822 -0.831 1.858) 5.234 10.557 ( 4.411 2.550 6.854) 8.540 10.798 ( 1.088 3.675 0.186) 3.837 10.860 ( 1.432 2.703 3.975) 5.016 10.967 ( 2.070 -3.253 -5.003) 6.316 11.070 ( -2.999 -0.800 -3.002) 4.318 11.230 ( 1.412 -8.678 3.313) 9.395 11.450 ( 4.519 -1.126 -4.244) 6.301 11.496 ( 6.003 1.111 -3.853) 7.219 11.573 ( -7.602 -3.808 5.954) 10.380 11.716 ( -2.205 6.110 6.807) 9.409 11.855 ( 0.472 -0.598 -2.214) 2.342 12.026 ( 3.067 0.983 -4.072) 5.192 12.124 ( -1.904 1.294 -4.144) 4.741 12.217 ( -2.940 4.534 -2.973) 6.168 12.339 ( -1.259 -0.605 -0.743) 1.582 12.368 ( 0.563 1.651 1.221) 2.129 12.602 ( 4.613 -0.085 -6.454) 7.933 12.674 ( -3.394 2.287 -2.858) 4.992 12.771 ( -2.041 5.981 1.025) 6.403 12.892 ( -2.582 -0.978 -0.183) 2.767 13.004 ( -2.774 7.051 5.747) 9.510 13.127 ( -6.246 3.791 2.345) 7.674 13.156 ( 1.884 1.491 1.856) 3.036 13.394 ( 2.291 4.670 5.035) 7.239 13.422 ( 0.849 2.318 -9.054) 9.385 13.539 ( -1.052 7.046 -2.139) 7.438 13.622 ( 3.049 -0.619 -5.158) 6.024 13.874 ( -1.411 3.643 1.041) 4.043 14.310 ( 3.122 -4.110 10.697) 11.877 14.394 ( -10.705 1.373 -2.322) 11.040 14.612 ( -6.099 2.748 2.559) 7.162 14.774 ( 0.566 0.870 9.988) 10.042 14.918 ( -7.287 -8.423 2.086) 11.331 15.356 ( 2.905 4.729 -8.329) 10.009 15.700 ( 12.483 -3.177 -4.686) 13.707 15.789 ( 8.404 -5.724 -6.739) 12.198 16.498 ( 0.623 -0.779 9.510) 9.563 16.797 ( 3.847 -4.555 -3.299) 6.814 16.872 ( 2.548 1.556 2.959) 4.203 17.206 ( -1.621 -2.391 -10.223) 10.623 18.017 ( -5.120 -14.437 13.350) 20.319 18.290 ( -17.318 -8.306 -2.895) 19.424 ======================= Grid point 93 (41/108) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 13.423 18.872 10.201) 25.306 1.808 ( 14.277 8.291 17.389) 23.978 2.096 ( 6.367 15.822 -8.303) 18.969 2.287 ( -0.545 11.891 -4.227) 12.631 2.540 ( -9.138 8.261 3.334) 12.761 2.645 ( -0.090 5.195 1.473) 5.401 2.787 ( -6.094 4.992 -9.796) 12.571 3.107 ( 3.852 4.260 -0.100) 5.744 3.187 ( 19.780 11.481 5.239) 23.463 3.267 ( 4.272 0.524 -0.012) 4.304 3.422 ( -2.358 8.826 1.540) 9.264 3.715 ( -2.509 7.262 1.026) 7.752 3.738 ( 1.399 7.075 -4.480) 8.490 4.121 ( 14.521 3.158 -5.742) 15.932 4.218 ( 4.066 0.370 0.273) 4.092 4.595 ( 7.148 1.190 4.066) 8.309 4.667 ( 7.257 -0.013 3.543) 8.076 4.770 ( 0.296 5.872 6.435) 8.717 4.813 ( 5.795 0.808 -1.231) 5.979 4.879 ( 10.402 -2.371 0.928) 10.709 5.124 ( 7.767 -0.440 0.224) 7.782 5.166 ( 9.656 -2.184 -8.204) 12.858 5.325 ( -1.395 -0.688 0.717) 1.713 5.463 ( 1.293 5.136 1.260) 5.444 5.590 ( -3.663 2.130 3.645) 5.589 5.694 ( -1.250 5.725 -4.477) 7.375 5.767 ( -6.820 -0.760 -2.129) 7.185 5.950 ( -5.452 0.763 1.331) 5.664 5.980 ( -15.465 -0.964 1.038) 15.530 6.170 ( -7.240 -2.552 1.517) 7.824 6.235 ( -2.276 -7.501 1.091) 7.914 6.382 ( -7.929 1.409 -4.322) 9.140 6.458 ( -0.316 0.521 -3.327) 3.382 6.522 ( -0.994 -2.331 2.190) 3.349 6.612 ( -1.861 -3.191 -2.096) 4.247 6.643 ( 0.809 -2.046 -0.774) 2.332 6.894 ( -4.947 1.198 3.868) 6.393 7.081 ( 5.340 -1.017 -3.016) 6.217 7.177 ( 0.554 0.836 -1.363) 1.692 7.309 ( 7.756 -1.432 -3.839) 8.772 7.560 ( -1.591 -7.056 3.461) 8.018 7.654 ( 5.857 -4.423 -4.795) 8.767 7.712 ( -4.436 -2.433 -0.073) 5.060 7.783 ( -1.789 -11.442 -3.319) 12.047 7.838 ( 2.442 5.383 -2.113) 6.277 7.999 ( -5.781 -6.483 2.513) 9.043 8.117 ( -2.603 -2.305 2.707) 4.407 8.321 ( 1.780 1.065 -0.582) 2.155 8.550 ( 7.538 -7.166 -3.690) 11.036 8.589 ( 5.038 -0.566 2.167) 5.513 8.688 ( 1.789 -5.826 3.135) 6.854 8.751 ( -4.577 -6.333 2.565) 8.224 8.868 ( 2.881 1.632 -0.916) 3.435 9.041 ( -6.116 2.498 -0.064) 6.607 9.122 ( -1.379 -3.560 0.357) 3.834 9.222 ( -6.940 3.540 -0.358) 7.799 9.358 ( -7.273 0.780 2.305) 7.669 9.428 ( -0.816 -1.856 3.286) 3.861 9.666 ( 2.542 -7.137 -5.830) 9.559 9.696 ( 3.716 -10.227 0.671) 10.902 9.887 ( 6.806 -2.342 -1.524) 7.357 9.987 ( -1.678 -2.165 1.995) 3.388 10.216 ( 0.160 -5.344 1.865) 5.662 10.297 ( 4.890 -6.535 -0.741) 8.196 10.445 ( 4.008 3.133 -0.413) 5.104 10.520 ( 7.429 -4.578 -1.824) 8.915 10.685 ( 0.898 -0.152 4.549) 4.639 10.777 ( -0.370 4.415 3.215) 5.474 10.896 ( 0.298 4.415 2.842) 5.259 11.017 ( 1.183 -3.845 4.250) 5.852 11.055 ( 5.489 -1.951 -7.771) 9.712 11.270 ( 2.157 -7.691 -0.995) 8.049 11.473 ( -2.384 -3.168 3.544) 5.318 11.527 ( 3.851 1.031 -0.554) 4.024 11.575 ( 0.831 0.034 -0.985) 1.289 11.720 ( -0.277 5.638 3.466) 6.624 11.848 ( -0.089 -2.377 -2.246) 3.272 12.017 ( 0.353 1.028 -7.197) 7.278 12.106 ( 0.131 -1.465 2.883) 3.237 12.144 ( -1.095 4.066 -4.917) 6.474 12.302 ( -2.628 0.126 0.079) 2.632 12.419 ( 3.822 4.056 0.272) 5.580 12.548 ( -5.863 4.294 -3.385) 8.017 12.648 ( 0.276 -1.096 -0.275) 1.163 12.708 ( -0.389 4.724 -7.841) 9.163 12.867 ( -2.758 -1.205 5.330) 6.121 12.962 ( -5.494 3.775 0.746) 6.707 13.041 ( -3.399 7.111 10.245) 12.926 13.193 ( 0.718 3.529 -0.083) 3.602 13.358 ( -0.247 4.923 -7.791) 9.219 13.440 ( -4.484 8.451 2.190) 9.814 13.461 ( 2.040 11.019 -5.164) 12.339 13.743 ( 7.061 -6.675 0.081) 9.718 13.860 ( -0.500 -0.420 -0.355) 0.743 14.174 ( -8.960 -0.989 0.387) 9.022 14.367 ( -7.852 -7.446 7.984) 13.448 14.547 ( 2.329 0.644 1.495) 2.842 14.808 ( -3.840 -1.569 7.999) 9.011 14.879 ( 3.628 1.805 3.011) 5.048 15.247 ( -6.529 11.310 -11.127) 17.157 15.892 ( 11.243 -0.903 -4.000) 11.968 16.080 ( 19.398 -14.326 -0.983) 24.135 16.548 ( -2.023 -2.248 9.789) 10.245 16.779 ( -3.563 -6.344 -7.798) 10.665 16.963 ( 5.748 1.017 2.815) 6.480 17.195 ( 3.963 -3.293 -3.035) 5.980 17.879 ( -14.421 -2.225 2.076) 14.739 17.963 ( -13.247 -12.520 2.715) 18.429 ======================= Grid point 94 (42/108) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 2.508 14.380 6.392) 15.936 2.100 ( -0.007 12.282 -1.627) 12.389 2.173 ( 11.217 6.522 7.246) 14.862 2.240 ( -11.138 8.657 0.209) 14.108 2.297 ( -1.387 13.093 1.846) 13.295 2.600 ( -2.107 11.217 -0.853) 11.445 2.637 ( -0.453 5.802 -10.564) 12.061 3.009 ( -4.706 -3.148 0.036) 5.662 3.229 ( -6.631 9.588 7.499) 13.861 3.432 ( 2.828 12.337 1.045) 12.700 3.721 ( 3.673 8.724 -3.746) 10.180 3.851 ( 23.820 5.861 -2.138) 24.624 4.011 ( 22.460 4.857 4.995) 23.516 4.205 ( 3.078 0.775 -4.436) 5.455 4.384 ( 2.180 0.983 -0.045) 2.392 4.663 ( -8.053 2.733 3.115) 9.056 4.733 ( -2.937 1.612 0.524) 3.391 4.751 ( 3.271 -1.539 0.922) 3.731 4.885 ( -1.432 0.335 0.394) 1.522 4.935 ( -2.447 -2.049 1.784) 3.656 5.179 ( -0.191 -1.758 2.539) 3.094 5.205 ( -6.522 3.821 -5.117) 9.128 5.394 ( 13.511 0.791 -0.439) 13.542 5.474 ( -0.015 -0.762 0.861) 1.150 5.559 ( -0.821 -0.305 2.154) 2.325 5.589 ( -0.326 3.165 -4.958) 5.891 5.691 ( -0.508 -0.380 0.493) 0.804 5.739 ( -10.149 -2.435 -1.776) 10.587 5.944 ( -0.060 -2.279 1.403) 2.677 6.045 ( -4.476 -1.856 -0.522) 4.874 6.193 ( -4.004 -4.166 3.286) 6.647 6.279 ( -0.694 -0.670 -1.339) 1.650 6.392 ( 2.296 3.087 -4.061) 5.594 6.507 ( -0.958 -3.347 -0.361) 3.500 6.547 ( -1.509 -4.558 2.393) 5.364 6.714 ( -8.433 5.360 2.400) 10.276 6.937 ( 13.708 0.546 1.928) 13.854 7.114 ( -2.560 0.811 -1.751) 3.205 7.194 ( 2.334 -4.891 -0.693) 5.463 7.389 ( 1.482 -3.074 -4.051) 5.297 7.538 ( -5.594 2.369 -0.165) 6.077 7.593 ( 2.135 -4.666 -1.369) 5.311 7.684 ( 0.229 -9.945 -2.025) 10.152 7.772 ( 2.090 0.340 0.115) 2.121 7.878 ( -1.889 -2.942 1.684) 3.881 7.949 ( 0.663 -0.528 -1.413) 1.648 8.093 ( -0.759 -2.314 0.926) 2.605 8.390 ( 3.831 0.829 -5.303) 6.594 8.573 ( -1.991 -0.507 -1.782) 2.719 8.649 ( 0.758 -5.500 -2.785) 6.211 8.702 ( 2.115 -5.181 3.201) 6.447 8.803 ( 1.705 -1.265 1.039) 2.364 8.845 ( -2.920 -1.722 1.769) 3.824 8.943 ( 0.654 3.217 -0.556) 3.329 9.062 ( -5.881 -0.852 -0.715) 5.985 9.173 ( -2.117 0.279 3.236) 3.877 9.238 ( -3.334 0.289 0.832) 3.449 9.340 ( -4.588 -1.335 -1.996) 5.178 9.723 ( 3.225 -8.136 0.484) 8.766 9.841 ( 8.007 -10.755 1.868) 13.538 9.924 ( -1.241 -0.635 -2.346) 2.729 10.022 ( 3.269 -5.525 -3.209) 7.177 10.212 ( -1.414 -6.726 3.161) 7.565 10.342 ( -0.787 -6.484 1.322) 6.664 10.516 ( 2.567 2.444 -0.616) 3.597 10.576 ( -1.713 -4.812 0.874) 5.182 10.658 ( -0.358 -0.518 -0.740) 0.971 10.801 ( -1.843 1.592 1.557) 2.891 10.906 ( -0.881 1.680 2.189) 2.896 11.059 ( -0.768 -4.386 4.706) 6.478 11.149 ( 9.059 -2.374 -5.591) 10.906 11.352 ( 6.534 -4.592 -1.875) 8.203 11.464 ( -2.730 0.315 2.357) 3.620 11.520 ( -2.220 -0.512 -1.259) 2.603 11.612 ( 2.625 3.385 6.644) 7.905 11.724 ( -2.354 2.320 -0.108) 3.307 11.841 ( 1.636 -4.383 -0.130) 4.681 11.995 ( -0.672 2.689 -1.481) 3.142 12.092 ( 0.856 -3.310 -1.563) 3.759 12.188 ( 5.837 1.948 -5.266) 8.100 12.248 ( -2.304 -0.043 0.137) 2.309 12.413 ( -4.014 4.092 -4.888) 7.533 12.504 ( 2.782 5.106 1.380) 5.976 12.603 ( -2.343 1.571 -0.797) 2.931 12.714 ( 3.812 2.847 -6.907) 8.387 12.806 ( -4.856 -0.745 1.568) 5.157 12.892 ( -3.492 -0.024 7.126) 7.935 13.060 ( -2.071 7.607 10.255) 12.935 13.189 ( 0.044 6.159 -1.773) 6.409 13.320 ( -1.072 12.297 -3.261) 12.767 13.373 ( 1.331 3.761 -5.899) 7.121 13.498 ( 2.078 9.024 -0.526) 9.275 13.785 ( -1.523 -6.875 -1.447) 7.189 13.895 ( 3.262 0.903 0.191) 3.390 14.095 ( -1.535 -1.610 3.801) 4.404 14.218 ( -7.433 -6.983 4.046) 10.972 14.609 ( 1.669 -6.948 0.705) 7.181 14.779 ( -5.190 1.527 6.862) 8.738 15.023 ( 1.377 9.892 -4.559) 10.978 15.054 ( 1.772 8.361 -0.352) 8.554 16.073 ( 8.981 -0.094 -2.484) 9.319 16.435 ( 14.014 -12.070 0.089) 18.495 16.517 ( -4.819 -6.537 7.574) 11.105 16.599 ( -9.038 -7.283 -7.168) 13.643 17.123 ( 6.821 -0.494 4.703) 8.299 17.246 ( 1.866 -5.396 0.200) 5.713 17.649 ( -6.057 0.183 -3.664) 7.081 17.742 ( -10.974 -8.424 -0.464) 13.842 ======================= Grid point 95 (43/108) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -18.319 13.611 -1.136) 22.850 1.816 ( -17.788 11.899 2.198) 21.513 2.264 ( 3.249 12.570 3.474) 13.440 2.335 ( 6.486 14.132 -3.186) 15.873 2.451 ( 1.894 11.786 2.341) 12.164 2.566 ( 7.611 6.386 4.899) 11.078 2.756 ( 11.174 4.416 -3.592) 12.540 2.987 ( 3.611 -4.642 -3.333) 6.760 3.120 ( -5.338 13.041 2.257) 14.271 3.538 ( 5.493 8.802 4.585) 11.343 3.767 ( -0.377 10.597 0.788) 10.633 3.805 ( -33.534 8.369 -1.344) 34.589 4.027 ( -13.307 2.882 5.004) 14.506 4.195 ( -0.139 6.231 -10.839) 12.503 4.382 ( 0.949 0.154 4.622) 4.720 4.581 ( -5.875 -3.206 -2.027) 6.993 4.748 ( -0.475 0.513 1.230) 1.415 4.790 ( -0.268 0.664 1.985) 2.110 4.844 ( -3.673 2.067 1.304) 4.412 4.891 ( 1.905 -2.906 -1.324) 3.719 5.202 ( 3.084 -0.036 0.703) 3.163 5.266 ( 9.191 2.494 0.980) 9.573 5.352 ( -5.151 -3.560 -0.666) 6.297 5.468 ( -7.740 0.685 -2.667) 8.216 5.541 ( -0.325 2.250 1.262) 2.600 5.639 ( 4.914 0.842 -0.455) 5.007 5.695 ( 6.423 -4.131 -1.614) 7.805 5.762 ( 5.229 -0.133 -2.637) 5.857 5.951 ( 1.448 -2.968 2.964) 4.438 6.044 ( 1.968 2.069 0.283) 2.869 6.128 ( 1.393 -4.913 1.036) 5.210 6.334 ( 5.992 -1.632 0.893) 6.275 6.483 ( 1.295 -3.449 -0.996) 3.817 6.491 ( -3.890 3.916 -2.593) 6.099 6.571 ( 2.763 -6.767 1.905) 7.553 6.602 ( 6.546 1.761 0.938) 6.843 6.925 ( -13.334 -0.927 0.920) 13.398 7.202 ( 6.024 -0.979 0.819) 6.158 7.237 ( 2.320 -0.917 2.347) 3.425 7.368 ( 1.482 -4.640 -4.743) 6.799 7.469 ( 1.408 -0.612 -3.118) 3.476 7.654 ( -3.690 -6.982 3.335) 8.572 7.703 ( 6.073 3.941 -1.126) 7.327 7.801 ( -0.752 -3.429 -1.815) 3.952 7.875 ( 1.666 -5.370 0.217) 5.626 7.917 ( -2.102 2.837 -2.499) 4.325 8.075 ( -2.745 -1.375 1.546) 3.437 8.350 ( -1.819 2.120 -5.665) 6.317 8.485 ( -5.120 -5.202 -5.011) 8.853 8.620 ( -7.106 -1.912 -4.071) 8.410 8.717 ( 3.194 -3.086 0.263) 4.449 8.789 ( 1.302 -5.217 7.209) 8.994 8.932 ( -4.550 -3.356 0.366) 5.666 8.982 ( 4.303 1.700 0.143) 4.629 9.007 ( 5.485 0.636 1.590) 5.746 9.106 ( 0.363 2.465 -0.250) 2.504 9.249 ( 0.965 1.700 1.086) 2.236 9.321 ( 3.245 -3.077 -2.100) 4.940 9.773 ( 1.052 -7.549 0.297) 7.628 9.858 ( -4.637 -4.449 0.709) 6.465 9.946 ( 0.264 -5.288 2.157) 5.717 10.016 ( -0.062 -5.302 -5.740) 7.814 10.169 ( -6.914 -7.674 2.529) 10.634 10.322 ( 0.410 -4.030 1.515) 4.325 10.459 ( -5.555 -2.248 -0.574) 6.020 10.578 ( 1.045 1.799 0.265) 2.097 10.669 ( -0.117 -2.829 0.170) 2.836 10.756 ( -1.140 2.156 -1.168) 2.704 10.893 ( -1.190 -1.463 0.189) 1.895 11.036 ( -5.568 -7.053 5.576) 10.575 11.232 ( -0.823 0.106 -2.989) 3.102 11.368 ( -4.672 -0.204 -0.127) 4.678 11.448 ( 6.722 1.031 -3.139) 7.490 11.575 ( 1.898 -7.835 6.424) 10.308 11.637 ( -2.894 1.002 -2.193) 3.767 11.723 ( 3.890 6.000 6.137) 9.423 11.877 ( -0.564 -2.407 1.587) 2.938 11.966 ( -0.888 1.982 -1.154) 2.460 12.144 ( 4.965 -2.988 -0.341) 5.805 12.213 ( 0.874 0.599 -2.269) 2.505 12.246 ( 0.552 0.533 -3.686) 3.766 12.375 ( 4.618 2.218 -6.165) 8.016 12.523 ( -1.711 3.826 0.965) 4.301 12.590 ( 1.741 3.231 -2.427) 4.401 12.734 ( 2.090 3.241 -4.448) 5.887 12.782 ( 2.535 -1.816 -0.308) 3.133 12.891 ( -1.883 -0.655 9.984) 10.181 13.076 ( -1.810 6.411 8.573) 10.857 13.184 ( -0.086 5.453 -0.644) 5.491 13.281 ( -0.224 11.778 -4.129) 12.483 13.410 ( 4.668 1.914 -6.356) 8.116 13.534 ( 3.573 6.611 -2.939) 8.069 13.760 ( -1.919 -0.292 3.844) 4.306 13.921 ( -0.439 2.716 -0.429) 2.784 14.035 ( -4.560 -5.032 3.741) 7.753 14.256 ( 5.898 -6.224 4.164) 9.532 14.613 ( -4.455 1.061 0.262) 4.587 14.675 ( -2.597 0.436 -0.973) 2.807 14.913 ( -3.581 -1.697 0.452) 3.989 15.282 ( 11.770 14.838 1.479) 18.997 16.184 ( 0.815 -0.916 1.476) 1.919 16.316 ( -12.245 -7.381 -5.225) 15.222 16.357 ( -9.947 -5.215 1.666) 11.354 16.748 ( 11.242 -13.641 -0.146) 17.677 17.161 ( -3.865 -2.551 6.500) 7.981 17.334 ( 0.481 -6.548 4.248) 7.820 17.585 ( -1.499 -2.470 -6.549) 7.158 17.632 ( 8.854 -0.089 -4.181) 9.792 ======================= Grid point 96 (44/108) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -18.882 13.550 6.307) 24.082 1.549 ( -13.833 22.986 3.132) 27.010 2.197 ( -7.841 9.987 -2.037) 12.860 2.319 ( -9.380 13.269 -1.362) 16.307 2.560 ( 6.927 15.088 -0.859) 16.625 2.719 ( -3.254 8.213 9.175) 12.737 2.929 ( 9.907 1.853 -2.517) 10.389 3.039 ( -16.703 11.329 0.943) 20.205 3.152 ( -4.019 4.200 -5.699) 8.141 3.170 ( 10.806 4.093 -2.522) 11.827 3.516 ( -16.953 4.242 2.286) 17.625 3.696 ( 3.922 5.740 6.312) 9.390 3.852 ( -6.338 4.637 -2.969) 8.395 4.206 ( 3.668 5.025 -0.803) 6.273 4.333 ( -3.403 3.322 -5.090) 6.966 4.477 ( -4.369 -0.216 3.280) 5.467 4.602 ( -11.281 1.863 5.125) 12.530 4.717 ( -8.395 3.562 2.926) 9.577 4.800 ( -7.094 -2.667 0.203) 7.581 4.841 ( -1.668 0.403 -1.072) 2.023 5.138 ( -6.626 0.752 0.674) 6.703 5.163 ( -9.396 -3.485 -2.302) 10.282 5.290 ( -8.380 0.392 -3.110) 8.947 5.554 ( 4.077 0.927 3.247) 5.294 5.624 ( 3.443 3.335 -0.761) 4.853 5.699 ( -0.070 4.311 2.332) 4.902 5.814 ( 10.425 -4.329 -3.944) 11.957 5.869 ( 9.913 0.445 -0.466) 9.934 6.044 ( 4.400 0.815 -0.469) 4.500 6.096 ( 7.000 -1.222 1.316) 7.227 6.261 ( 7.496 -7.328 2.636) 10.809 6.427 ( 2.454 -2.165 -2.124) 3.902 6.439 ( 2.343 -4.505 -3.751) 6.313 6.547 ( 7.038 -1.013 2.117) 7.419 6.694 ( -6.251 2.477 -1.548) 6.900 6.711 ( 8.336 -3.926 3.163) 9.742 6.765 ( 4.598 -4.831 -1.195) 6.776 7.164 ( -4.987 -1.982 1.069) 5.472 7.296 ( -0.804 3.081 3.305) 4.589 7.390 ( 0.389 -7.555 -8.229) 11.178 7.527 ( 2.827 -7.405 -4.753) 9.242 7.548 ( -6.713 -5.624 1.647) 8.911 7.694 ( -3.279 3.719 -3.601) 6.128 7.715 ( -5.618 2.336 -1.743) 6.329 7.912 ( 3.103 -1.305 -1.728) 3.784 7.933 ( 1.875 -0.902 3.100) 3.734 8.032 ( -1.278 -1.314 2.726) 3.285 8.297 ( -5.739 -6.568 -8.019) 11.849 8.363 ( 0.171 2.975 1.467) 3.322 8.500 ( -1.691 -5.147 -0.596) 5.450 8.703 ( -6.186 -5.686 1.280) 8.499 8.839 ( 1.134 -2.989 4.731) 5.710 8.897 ( 1.572 -1.261 -0.486) 2.073 8.993 ( 0.314 -1.312 -2.053) 2.456 9.187 ( 7.025 -3.551 2.949) 8.406 9.217 ( 7.995 6.255 0.165) 10.152 9.331 ( 8.543 3.620 1.101) 9.343 9.358 ( 0.010 -1.201 -0.462) 1.287 9.700 ( -8.317 -8.351 -0.834) 11.816 9.776 ( -2.557 -4.876 -0.900) 5.579 9.917 ( -7.855 -4.328 0.768) 9.001 9.981 ( 3.069 -0.315 -4.035) 5.079 10.030 ( -4.967 -6.206 3.006) 8.499 10.350 ( -3.225 -0.414 -3.622) 4.868 10.381 ( 0.615 -4.237 3.967) 5.836 10.579 ( -1.983 -1.304 1.566) 2.843 10.627 ( -1.730 0.747 -1.823) 2.622 10.740 ( -5.352 -0.052 1.593) 5.584 10.860 ( -2.334 1.567 2.030) 3.467 10.936 ( -2.331 -6.135 0.945) 6.631 11.183 ( -2.141 -2.819 -1.822) 3.981 11.256 ( -5.709 -3.604 0.074) 6.752 11.503 ( -5.776 -2.300 3.046) 6.923 11.568 ( 3.692 -0.206 -2.944) 4.727 11.681 ( 1.286 3.841 2.757) 4.900 11.782 ( -0.710 2.654 2.575) 3.766 11.829 ( -1.667 -1.392 -2.598) 3.386 11.995 ( 2.590 -0.625 2.988) 4.004 12.203 ( -1.542 4.564 0.846) 4.892 12.239 ( 3.856 -1.038 -3.551) 5.343 12.270 ( 5.395 -1.711 -1.691) 5.907 12.425 ( -1.067 1.031 -0.487) 1.562 12.507 ( 4.652 -0.405 -6.108) 7.688 12.629 ( 3.931 3.509 -4.020) 6.627 12.779 ( 4.159 1.868 -2.325) 5.118 12.843 ( 3.130 0.106 0.134) 3.135 12.934 ( -0.965 -2.571 11.719) 12.037 13.084 ( -1.348 3.276 1.838) 3.991 13.176 ( -0.254 5.299 2.169) 5.731 13.273 ( 0.433 10.727 -0.824) 10.767 13.422 ( 1.745 -2.325 -9.655) 10.083 13.628 ( 7.388 6.029 -4.966) 10.752 13.723 ( -3.943 4.710 2.995) 6.834 13.907 ( -1.023 2.698 3.855) 4.815 14.023 ( -0.113 -3.833 5.219) 6.476 14.380 ( 2.188 -0.455 2.240) 3.164 14.530 ( 1.831 4.926 1.445) 5.450 14.690 ( 1.811 -1.713 -0.458) 2.535 14.867 ( -1.536 -6.573 0.176) 6.753 15.474 ( 6.843 13.499 -0.884) 15.160 16.009 ( -15.345 -8.638 -2.085) 17.732 16.037 ( -11.781 -5.731 -1.195) 13.155 16.329 ( 1.704 0.057 1.905) 2.556 16.837 ( -1.168 -7.329 -1.631) 7.598 17.069 ( -9.032 -2.140 3.647) 9.973 17.411 ( 8.205 -9.497 6.792) 14.271 17.540 ( 0.881 -2.939 -9.115) 9.617 17.940 ( 20.292 -1.180 1.924) 20.417 ======================= Grid point 97 (45/108) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -9.277 16.691 17.426) 25.852 1.267 ( -19.668 19.248 7.487) 28.520 1.902 ( -16.767 4.688 -2.182) 17.546 2.127 ( -6.736 24.755 -0.935) 25.672 2.410 ( -17.912 23.175 -0.976) 29.307 2.621 ( -1.177 18.253 4.551) 18.848 2.903 ( 3.336 7.231 3.986) 8.905 3.074 ( 2.760 4.044 -0.579) 4.930 3.239 ( 2.175 -7.175 -5.120) 9.079 3.386 ( 13.875 2.487 -8.506) 16.464 3.474 ( 11.111 2.405 -0.052) 11.368 3.660 ( -8.204 3.467 -2.928) 9.375 3.799 ( 4.693 1.996 2.809) 5.822 4.201 ( -5.411 3.686 0.522) 6.568 4.313 ( -4.593 4.201 2.412) 6.676 4.358 ( -8.142 1.673 2.640) 8.722 4.485 ( -0.360 7.035 -4.264) 8.235 4.543 ( -7.444 7.322 5.275) 11.699 4.680 ( -2.968 -1.411 1.701) 3.700 4.800 ( -3.461 1.894 1.266) 4.143 4.903 ( -12.725 -0.116 -6.260) 14.182 5.054 ( -5.287 -1.713 -1.133) 5.672 5.248 ( 4.575 2.693 4.394) 6.891 5.433 ( -7.354 0.204 2.647) 7.819 5.631 ( -2.284 6.491 -3.507) 7.724 5.707 ( -3.663 5.446 6.073) 8.942 5.987 ( 8.190 -4.941 -2.705) 9.940 6.046 ( 8.157 -2.838 -2.573) 9.012 6.169 ( 3.482 -0.745 -1.888) 4.031 6.203 ( 3.601 -6.070 -0.275) 7.063 6.344 ( 0.840 -3.693 -1.024) 3.923 6.503 ( 4.612 -3.141 -0.718) 5.626 6.544 ( 7.477 -8.247 2.009) 11.312 6.609 ( -0.792 2.974 -6.630) 7.309 6.663 ( 4.727 -1.287 -3.613) 6.087 6.805 ( 1.476 -4.301 0.687) 4.599 6.877 ( 6.932 -3.036 -0.062) 7.568 7.068 ( -9.687 -3.948 -2.771) 10.821 7.127 ( -7.354 -3.956 -1.512) 8.486 7.237 ( -5.707 0.477 1.077) 5.827 7.505 ( -2.676 5.055 1.942) 6.040 7.563 ( -4.107 -4.661 -1.269) 6.340 7.641 ( 3.475 -1.244 -0.634) 3.745 7.719 ( 8.201 -2.401 2.700) 8.962 7.904 ( -0.498 -7.651 -3.534) 8.443 7.982 ( 0.553 -4.774 3.881) 6.177 8.101 ( -7.919 -5.053 -5.086) 10.682 8.120 ( 5.623 7.334 6.471) 11.282 8.418 ( 1.268 -0.365 3.305) 3.559 8.524 ( 1.155 -8.780 2.669) 9.249 8.573 ( -5.825 -5.995 -1.883) 8.569 8.872 ( -3.893 -4.445 1.428) 6.079 8.893 ( 0.028 -3.214 0.441) 3.245 9.017 ( 5.617 6.857 -5.720) 10.549 9.280 ( -0.111 -0.845 -0.790) 1.162 9.321 ( -2.049 2.323 1.265) 3.346 9.343 ( 5.555 -2.642 1.210) 6.269 9.499 ( 2.586 0.809 0.215) 2.718 9.611 ( 3.788 -5.184 0.668) 6.455 9.743 ( -7.139 -1.666 0.048) 7.331 9.765 ( 2.285 -1.212 -1.506) 2.994 9.955 ( -3.702 -2.124 4.250) 6.023 10.092 ( 6.637 -1.452 -2.005) 7.083 10.240 ( -5.298 -1.915 -2.208) 6.050 10.372 ( -6.064 -3.533 3.571) 7.874 10.491 ( -8.549 -3.319 4.658) 10.286 10.580 ( -5.258 3.049 -2.185) 6.459 10.645 ( 2.378 1.744 2.347) 3.769 10.833 ( -1.733 3.215 0.934) 3.770 10.987 ( 4.447 -5.785 -2.286) 7.647 11.102 ( -3.266 -2.904 -1.345) 4.572 11.207 ( 0.352 -5.207 0.380) 5.233 11.415 ( -3.946 -0.932 -0.589) 4.097 11.536 ( -4.552 -0.956 -1.157) 4.793 11.691 ( -1.336 8.013 3.681) 8.918 11.754 ( -3.185 -1.792 4.273) 5.623 11.854 ( 5.578 -1.303 -6.919) 8.982 12.005 ( -4.676 -0.192 5.192) 6.990 12.210 ( 2.322 6.158 -3.934) 7.667 12.265 ( 0.262 0.166 0.999) 1.046 12.353 ( 2.824 0.915 -1.992) 3.575 12.400 ( 0.501 -2.646 -0.078) 2.694 12.546 ( 3.009 -2.084 -10.120) 10.762 12.683 ( 3.727 2.313 -4.427) 6.232 12.816 ( -0.719 2.115 -0.552) 2.302 12.909 ( 1.971 0.338 5.001) 5.386 12.972 ( 0.379 -5.114 6.272) 8.102 13.072 ( -0.392 4.942 3.792) 6.242 13.207 ( 0.504 5.858 2.568) 6.415 13.259 ( -1.105 6.464 1.097) 6.649 13.395 ( 1.196 -1.533 -6.867) 7.137 13.648 ( -1.038 3.883 -5.923) 7.158 13.714 ( 2.440 5.994 -6.920) 9.475 13.920 ( -1.198 6.607 5.600) 8.743 14.085 ( 2.622 -2.218 7.027) 7.822 14.429 ( 2.133 5.865 9.916) 11.717 14.644 ( 5.711 1.953 -3.579) 7.017 14.718 ( 0.945 0.761 -1.773) 2.148 14.884 ( 3.873 -9.648 4.120) 11.183 15.480 ( -6.135 -0.679 -2.060) 6.507 15.721 ( -11.067 -7.557 -4.757) 14.220 15.857 ( -3.850 3.817 -5.197) 7.510 16.374 ( 0.685 -0.235 5.520) 5.567 16.762 ( -3.603 -2.660 -1.115) 4.615 16.927 ( -6.538 -0.254 2.069) 6.863 17.450 ( -0.431 -6.130 -14.434) 15.688 17.699 ( 10.018 -11.226 14.698) 21.033 18.348 ( 18.015 -8.292 1.686) 19.904 ======================= Grid point 98 (46/108) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.974 11.306 5.425) 12.695 1.530 ( 1.726 10.837 5.342) 12.205 1.796 ( 1.944 5.520 7.555) 9.556 2.591 ( 3.718 11.028 -6.748) 13.453 2.728 ( -2.618 23.830 2.390) 24.092 2.953 ( -0.839 5.258 2.090) 5.720 3.010 ( -6.630 11.917 3.016) 13.967 3.149 ( 0.205 0.142 -0.567) 0.619 3.237 ( 0.196 10.065 -1.872) 10.240 3.544 ( 0.632 5.342 -1.500) 5.585 3.668 ( 1.283 4.631 -1.836) 5.144 3.755 ( 15.386 3.398 -6.157) 16.917 3.978 ( -6.981 -0.142 4.606) 8.365 4.047 ( -7.762 0.253 1.322) 7.878 4.181 ( -1.633 4.556 1.668) 5.119 4.393 ( 0.796 4.671 -1.117) 4.868 4.644 ( -5.702 9.486 1.231) 11.136 4.692 ( -1.564 6.193 -2.369) 6.812 4.739 ( 6.150 5.792 -1.364) 8.557 4.817 ( -4.454 4.353 -1.506) 6.407 4.856 ( 5.770 3.526 2.554) 7.229 5.022 ( 3.964 4.847 -2.189) 6.633 5.312 ( -0.936 -0.730 2.730) 2.977 5.413 ( -2.075 0.557 4.155) 4.678 5.672 ( -2.414 4.072 -5.558) 7.301 5.737 ( -1.106 4.559 -4.267) 6.341 5.929 ( -4.306 -5.138 2.331) 7.098 6.023 ( 3.537 -4.736 0.974) 5.990 6.088 ( 3.154 -4.940 3.488) 6.820 6.191 ( -0.446 2.683 1.323) 3.024 6.357 ( 2.080 -6.153 -0.852) 6.551 6.450 ( -0.016 -6.278 -3.012) 6.964 6.525 ( 7.020 -5.609 -4.223) 9.929 6.571 ( -5.448 -5.289 -3.202) 8.241 6.609 ( 4.593 -2.193 -3.070) 5.944 6.746 ( -3.843 -2.952 2.019) 5.250 6.794 ( -2.619 -6.894 2.474) 7.778 6.862 ( 2.178 -4.296 1.067) 4.933 7.092 ( -1.405 -1.668 2.448) 3.278 7.199 ( 2.863 -3.682 -2.029) 5.086 7.430 ( -3.544 0.539 -1.782) 4.003 7.536 ( 3.561 -3.244 -0.469) 4.839 7.629 ( -3.063 0.717 -1.971) 3.712 7.773 ( -2.922 -3.818 -5.968) 7.664 7.851 ( 6.503 -1.605 5.537) 8.691 7.910 ( 1.473 -5.769 6.209) 8.603 7.936 ( 0.603 0.495 3.073) 3.170 8.169 ( 1.936 -10.989 4.657) 12.091 8.242 ( -5.965 -1.860 -0.724) 6.291 8.414 ( 0.293 -2.467 -1.577) 2.943 8.622 ( 1.753 5.515 0.815) 5.844 8.707 ( -0.011 -4.904 -4.952) 6.970 8.860 ( 0.372 -1.236 4.495) 4.677 9.093 ( -0.932 -10.493 -0.344) 10.540 9.167 ( -1.372 -4.025 -1.479) 4.502 9.253 ( 0.216 4.510 -3.765) 5.879 9.436 ( -1.742 3.584 2.612) 4.765 9.590 ( 2.836 0.158 -0.202) 2.847 9.623 ( 3.520 0.425 -0.487) 3.579 9.641 ( -4.530 1.702 -2.680) 5.532 9.858 ( 3.877 -1.961 3.357) 5.491 9.950 ( -5.702 3.048 1.609) 6.663 10.129 ( 1.182 0.065 -1.857) 2.202 10.186 ( 1.973 -0.126 2.076) 2.867 10.241 ( -0.093 0.019 1.935) 1.937 10.402 ( -2.393 1.408 1.635) 3.223 10.546 ( -1.488 1.933 1.941) 3.117 10.764 ( 3.878 0.148 -0.370) 3.898 10.831 ( -1.001 -1.515 0.457) 1.872 10.868 ( 1.507 -6.905 2.807) 7.604 11.062 ( 0.268 2.155 0.814) 2.319 11.251 ( -2.840 0.994 -0.919) 3.146 11.318 ( 4.642 -2.462 -1.515) 5.469 11.415 ( -0.912 -1.039 -4.732) 4.930 11.620 ( -6.844 -3.819 6.691) 10.305 11.838 ( -0.537 -3.202 0.461) 3.279 11.891 ( -0.620 8.991 0.740) 9.042 11.985 ( 3.386 0.910 -3.071) 4.661 12.203 ( -4.066 -5.000 -6.023) 8.821 12.298 ( -1.146 0.863 1.850) 2.341 12.308 ( 1.174 -2.506 -0.027) 2.768 12.346 ( 2.642 -3.625 1.554) 4.747 12.467 ( 2.799 -3.905 -6.799) 8.325 12.786 ( 1.124 4.608 -3.335) 5.798 12.855 ( 0.468 -0.656 -0.672) 1.049 12.905 ( -1.346 0.337 0.504) 1.476 13.081 ( 3.895 4.980 3.972) 7.467 13.253 ( 0.662 6.147 9.048) 10.959 13.318 ( 0.061 4.809 0.520) 4.838 13.346 ( -1.950 5.812 1.731) 6.370 13.471 ( 2.182 6.361 -3.448) 7.557 13.657 ( -2.148 0.398 -10.394) 10.621 13.716 ( 0.052 4.039 -0.424) 4.061 14.105 ( -2.718 6.273 4.302) 8.077 14.159 ( -1.205 -0.010 8.766) 8.849 14.555 ( -5.086 -4.193 0.440) 6.607 14.663 ( 4.559 -1.585 -1.634) 5.095 14.743 ( 0.752 3.255 5.852) 6.738 14.910 ( -5.961 -1.881 4.819) 7.893 15.125 ( 6.295 -10.067 -2.983) 12.242 15.387 ( -1.242 -6.200 -5.902) 8.650 15.997 ( -1.189 8.012 -15.666) 17.636 16.433 ( 1.001 0.826 7.130) 7.247 16.697 ( 1.601 -2.777 -2.162) 3.867 16.880 ( -0.871 1.782 1.852) 2.714 17.253 ( -2.344 -3.274 -3.413) 5.279 17.633 ( 2.566 -13.347 10.536) 17.197 18.240 ( -0.080 -14.117 -4.865) 14.932 ======================= Grid point 99 (47/108) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 19.923 10.801 6.689) 23.629 1.740 ( 13.911 9.879 7.775) 18.750 2.039 ( 16.571 4.375 4.433) 17.703 2.574 ( 0.657 6.976 -10.450) 12.581 2.787 ( 1.747 17.255 7.400) 18.856 2.849 ( -4.661 7.071 0.190) 8.471 2.923 ( -3.826 11.243 -2.555) 12.148 3.144 ( 1.828 5.782 -0.638) 6.098 3.249 ( 0.925 9.246 0.656) 9.315 3.465 ( -9.231 6.352 -1.797) 11.349 3.720 ( 0.884 1.724 -4.145) 4.576 3.831 ( -7.841 6.006 8.591) 13.090 3.855 ( -0.481 5.075 1.859) 5.426 3.995 ( 12.306 4.335 -10.912) 17.009 4.339 ( -1.514 7.110 1.896) 7.512 4.437 ( 10.432 0.223 3.559) 11.025 4.538 ( -0.712 5.112 2.542) 5.753 4.696 ( 4.500 4.298 -3.410) 7.095 4.774 ( 2.564 3.454 -1.386) 4.519 4.865 ( 4.206 5.183 1.929) 6.948 5.022 ( 7.357 1.338 0.177) 7.479 5.062 ( 0.349 2.829 -0.877) 2.982 5.331 ( -2.973 1.645 0.224) 3.405 5.386 ( 5.475 0.804 2.189) 5.951 5.658 ( 3.969 0.940 -2.829) 4.964 5.755 ( 1.888 4.375 -1.763) 5.081 5.872 ( -3.995 -0.490 0.788) 4.101 6.038 ( -3.258 -3.041 2.845) 5.288 6.131 ( -0.843 -2.852 -2.143) 3.666 6.179 ( -1.604 -3.007 3.756) 5.071 6.294 ( -7.473 -5.685 -2.809) 9.801 6.439 ( -0.197 -2.977 -0.381) 3.008 6.487 ( -7.499 -0.744 4.163) 8.609 6.543 ( -4.085 -5.415 -5.018) 8.437 6.585 ( 1.993 -1.501 -6.206) 6.688 6.654 ( -5.307 -3.674 -1.107) 6.549 6.824 ( 4.240 -6.105 0.351) 7.441 6.955 ( 5.813 -5.969 0.817) 8.372 7.084 ( 0.958 -0.081 3.123) 3.268 7.250 ( 2.784 -3.540 0.335) 4.516 7.397 ( 2.758 -1.303 -5.261) 6.082 7.533 ( -2.550 -6.281 -0.589) 6.804 7.621 ( -0.965 -1.396 0.318) 1.727 7.691 ( -1.586 -4.426 -3.519) 5.872 7.881 ( 3.799 -1.046 -0.844) 4.029 8.010 ( -0.357 -0.746 4.540) 4.615 8.061 ( -2.343 -1.868 -1.685) 3.437 8.156 ( 7.209 -6.398 10.435) 14.206 8.319 ( 8.472 -6.584 4.781) 11.747 8.411 ( 1.177 0.130 -2.261) 2.553 8.618 ( -1.806 0.505 -4.137) 4.542 8.698 ( -0.386 -3.752 -0.698) 3.836 8.870 ( -1.811 1.804 4.224) 4.937 9.071 ( -2.225 -3.436 -3.971) 5.704 9.140 ( 4.816 -10.894 1.203) 11.972 9.234 ( -3.137 0.807 -0.722) 3.319 9.428 ( -0.870 3.112 0.979) 3.376 9.491 ( -8.143 4.096 -2.502) 9.452 9.583 ( -1.571 -2.977 -0.747) 3.448 9.697 ( -0.203 0.746 0.036) 0.774 9.760 ( -6.288 -0.566 0.775) 6.361 9.949 ( 0.548 -6.343 4.466) 7.777 10.134 ( -3.197 0.503 -0.789) 3.331 10.174 ( 1.872 -0.316 -2.778) 3.365 10.367 ( 6.947 0.665 2.235) 7.328 10.430 ( 5.522 4.024 -1.862) 7.082 10.598 ( 2.696 1.256 8.161) 8.686 10.797 ( 2.484 -3.772 -1.284) 4.696 10.854 ( 1.918 -2.109 1.650) 3.293 10.954 ( 2.120 1.255 0.722) 2.567 11.068 ( -1.310 -0.282 4.538) 4.732 11.118 ( -2.949 -0.399 -1.750) 3.453 11.392 ( 2.301 -5.525 -6.715) 8.995 11.469 ( 2.758 -1.756 1.459) 3.580 11.544 ( -0.368 0.735 1.972) 2.137 11.829 ( -0.160 -1.390 -0.391) 1.453 11.876 ( -1.459 7.274 0.984) 7.484 12.032 ( 2.177 -0.405 -5.185) 5.638 12.104 ( -2.517 -1.840 -2.686) 4.115 12.266 ( -2.567 -0.392 -0.099) 2.599 12.319 ( -0.103 -0.533 0.244) 0.595 12.405 ( 2.065 1.346 3.312) 4.129 12.495 ( 3.304 -7.385 -2.692) 8.526 12.741 ( -2.382 2.681 -5.566) 6.621 12.834 ( -3.237 -2.461 -1.517) 4.340 12.890 ( 1.187 5.291 -1.806) 5.716 13.179 ( 1.947 6.292 5.931) 8.863 13.238 ( -4.096 8.271 1.648) 9.376 13.266 ( -5.568 8.011 2.012) 9.962 13.385 ( 2.854 -1.047 3.049) 4.306 13.512 ( 2.486 -0.348 -3.755) 4.517 13.605 ( 3.475 7.805 -3.192) 9.121 13.711 ( -0.845 4.503 -0.233) 4.588 14.016 ( -6.663 6.777 0.858) 9.543 14.200 ( -0.714 -5.363 9.946) 11.322 14.367 ( -10.922 -3.438 -5.551) 12.725 14.636 ( -5.407 -2.675 -0.429) 6.048 14.755 ( -4.202 -4.586 9.171) 11.082 14.888 ( 1.910 9.846 6.899) 12.173 15.337 ( 13.482 -6.904 -4.251) 15.732 15.482 ( 12.314 -9.569 -4.059) 16.115 15.855 ( -2.006 3.706 -16.452) 16.983 16.496 ( 0.407 0.611 7.597) 7.632 16.718 ( 1.803 -3.390 -4.034) 5.570 16.915 ( 2.325 2.344 3.548) 4.846 17.173 ( -3.258 -0.382 -2.752) 4.282 17.698 ( -2.396 -15.310 9.633) 18.246 18.091 ( -10.791 -11.039 -5.727) 16.466 ======================= Grid point 100 (48/108) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 12.379 6.734 13.149) 19.274 2.074 ( 13.606 12.767 5.547) 19.465 2.331 ( 9.585 9.854 -1.844) 13.870 2.502 ( -0.525 3.720 -7.797) 8.655 2.691 ( -9.966 6.768 -2.891) 12.389 2.752 ( -5.914 10.281 -0.328) 11.866 2.945 ( 0.468 6.515 0.953) 6.601 3.187 ( -11.797 5.119 -0.210) 12.862 3.367 ( 13.527 8.186 0.354) 15.815 3.431 ( 21.294 11.318 3.454) 24.361 3.636 ( -0.728 12.072 0.041) 12.094 3.822 ( 0.690 3.629 -3.409) 5.026 3.922 ( 3.035 9.681 3.985) 10.900 4.175 ( 12.727 1.876 -6.171) 14.268 4.289 ( -1.477 6.022 0.164) 6.202 4.590 ( 3.539 -0.402 5.579) 6.619 4.706 ( 6.387 1.594 2.102) 6.911 4.806 ( 7.694 -3.674 -1.334) 8.630 4.845 ( 4.633 2.304 -0.458) 5.195 4.915 ( 0.795 7.230 5.217) 8.951 5.089 ( 3.561 -3.036 -2.264) 5.199 5.134 ( 7.074 -0.060 -3.913) 8.084 5.303 ( 0.590 -0.292 -0.665) 0.936 5.518 ( 2.368 0.703 0.614) 2.546 5.671 ( -2.157 2.034 0.130) 2.968 5.733 ( -5.933 0.209 1.010) 6.023 5.798 ( -1.579 3.666 -5.862) 7.092 5.934 ( -6.874 0.065 3.864) 7.885 6.012 ( -17.038 0.286 -1.361) 17.095 6.072 ( -7.405 -5.392 0.257) 9.164 6.142 ( -2.578 -1.982 0.581) 3.303 6.317 ( -4.639 -6.354 0.752) 7.903 6.461 ( -6.250 -7.041 -0.919) 9.460 6.492 ( -1.678 -1.980 1.225) 2.870 6.520 ( 0.782 4.095 -4.197) 5.915 6.657 ( 8.199 0.787 -0.163) 8.238 6.914 ( 1.833 -0.883 5.023) 5.420 7.009 ( 3.364 -3.405 -4.233) 6.390 7.214 ( 5.654 -1.021 -0.416) 5.761 7.279 ( 0.146 -2.953 1.274) 3.220 7.431 ( 0.602 -3.600 0.482) 3.681 7.500 ( 1.992 -4.694 -5.303) 7.357 7.609 ( 1.141 -5.099 -1.959) 5.580 7.652 ( 0.972 -2.751 -1.262) 3.179 7.928 ( -2.642 -0.664 -0.132) 2.727 7.974 ( -1.039 4.543 -1.394) 4.864 8.027 ( 1.434 -4.683 -0.763) 4.957 8.368 ( 5.175 -6.311 8.673) 11.910 8.415 ( 0.549 4.094 -0.018) 4.131 8.530 ( 5.057 -5.989 -1.769) 8.035 8.567 ( 3.131 -6.893 2.369) 7.932 8.659 ( -1.751 -1.307 0.869) 2.352 8.895 ( 1.833 0.395 1.205) 2.229 9.014 ( -1.976 -5.817 -1.023) 6.228 9.104 ( -8.199 3.565 1.326) 9.039 9.294 ( 1.711 -2.411 1.826) 3.475 9.343 ( -1.237 -1.944 0.503) 2.358 9.383 ( -2.590 1.260 -1.179) 3.112 9.535 ( -2.509 -5.348 -6.001) 8.421 9.580 ( -4.703 0.410 1.283) 4.892 9.802 ( 5.081 -4.916 0.373) 7.080 9.955 ( -2.414 -3.906 2.931) 5.448 10.078 ( -0.953 -5.649 -1.781) 5.999 10.186 ( 0.506 -4.134 -2.225) 4.722 10.494 ( 4.145 0.782 1.629) 4.522 10.520 ( 4.397 3.687 -1.947) 6.060 10.692 ( 0.736 0.359 7.046) 7.093 10.818 ( -1.396 -1.829 -0.523) 2.359 10.902 ( 0.510 -0.346 3.929) 3.977 10.982 ( 6.577 -1.457 -0.601) 6.764 11.045 ( -3.878 1.597 3.617) 5.538 11.167 ( 5.405 -1.555 -2.675) 6.228 11.368 ( -0.892 -6.476 0.003) 6.537 11.520 ( 5.410 -1.916 -1.238) 5.871 11.601 ( 1.327 2.057 -0.204) 2.456 11.816 ( -1.856 -0.457 -1.315) 2.320 11.848 ( -1.364 6.333 0.377) 6.490 11.989 ( 0.111 -2.396 -5.741) 6.222 12.092 ( -1.161 0.006 2.737) 2.973 12.202 ( -1.519 0.703 -3.825) 4.176 12.302 ( -1.793 -0.109 0.025) 1.796 12.483 ( 4.199 1.248 0.446) 4.403 12.537 ( -0.037 -4.947 2.143) 5.391 12.675 ( 0.143 3.013 -3.933) 4.957 12.730 ( -5.534 -0.105 -2.976) 6.284 12.901 ( 0.860 4.398 -2.417) 5.092 13.072 ( -8.631 6.137 -1.465) 10.691 13.214 ( -1.978 7.371 4.520) 8.870 13.278 ( 2.232 4.729 3.612) 6.356 13.397 ( 0.194 1.815 -4.939) 5.265 13.590 ( 3.567 -2.629 6.721) 8.050 13.663 ( -1.895 6.901 -2.674) 7.639 13.685 ( 4.127 9.090 -4.176) 10.821 13.892 ( -5.363 2.429 -0.606) 5.919 14.154 ( -6.750 -1.138 1.459) 6.999 14.233 ( -4.124 -4.638 7.910) 10.054 14.513 ( -5.034 -1.194 -2.259) 5.645 14.744 ( -2.991 -3.804 11.833) 12.785 15.024 ( 7.776 10.199 8.551) 15.415 15.402 ( -4.361 3.257 -13.905) 14.932 15.752 ( 18.409 -16.722 -4.617) 25.295 15.865 ( 10.894 -2.873 -5.347) 12.471 16.513 ( -3.486 -0.877 6.039) 7.028 16.676 ( -4.531 -3.801 -5.125) 7.826 16.993 ( 3.487 1.701 3.956) 5.541 17.132 ( -0.016 -2.479 0.615) 2.554 17.661 ( -5.324 -12.887 4.454) 14.638 17.820 ( -12.146 -6.241 -5.017) 14.548 ======================= Grid point 101 (49/108) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 2.440 1.982 10.078) 10.556 2.240 ( -1.487 11.041 5.110) 12.257 2.329 ( -2.552 8.251 -2.631) 9.029 2.466 ( 1.323 12.051 3.898) 12.734 2.636 ( -0.565 15.862 -5.070) 16.663 2.668 ( 8.990 4.493 -7.622) 12.614 2.888 ( -4.710 7.019 0.714) 8.483 2.968 ( -9.148 3.606 -0.255) 9.836 3.483 ( -2.748 15.168 6.798) 16.847 3.699 ( 2.399 12.673 -0.073) 12.898 3.884 ( 9.080 7.077 -0.957) 11.552 3.968 ( 19.252 5.075 -0.676) 19.921 4.116 ( 17.997 3.942 3.690) 18.789 4.246 ( -2.483 4.583 -3.409) 6.228 4.381 ( 7.148 -1.592 -3.168) 7.979 4.664 ( -0.094 -3.044 3.098) 4.344 4.731 ( -3.292 -0.140 1.177) 3.499 4.748 ( -8.039 -0.810 -0.835) 8.123 4.888 ( -1.992 1.645 0.938) 2.749 4.999 ( 1.965 6.100 0.623) 6.439 5.159 ( 5.518 0.198 -0.423) 5.538 5.263 ( -4.890 1.459 -6.635) 8.371 5.363 ( 15.790 -4.163 0.182) 16.330 5.467 ( -4.300 1.477 2.544) 5.210 5.569 ( -9.993 -0.281 1.449) 10.101 5.628 ( -9.279 1.290 -3.019) 9.843 5.670 ( -1.824 -1.723 -1.808) 3.093 5.706 ( -1.996 0.905 -0.838) 2.346 5.899 ( -4.419 -2.799 1.563) 5.459 5.984 ( -1.602 -5.154 -0.072) 5.397 6.129 ( 1.865 -1.659 -0.396) 2.527 6.245 ( -4.553 -1.639 -1.195) 4.985 6.332 ( -2.334 -7.649 1.906) 8.221 6.475 ( -0.762 -2.199 -0.216) 2.337 6.558 ( 3.730 5.372 -2.125) 6.877 6.801 ( -3.085 2.580 1.584) 4.322 6.966 ( 8.210 2.165 2.310) 8.800 7.081 ( 2.008 -3.944 -1.309) 4.615 7.178 ( -3.835 4.075 0.523) 5.620 7.278 ( -1.506 -8.051 -2.003) 8.432 7.427 ( -0.612 -7.821 4.333) 8.962 7.577 ( 6.430 -0.340 -1.193) 6.549 7.604 ( -0.407 3.280 -2.672) 4.250 7.739 ( 3.549 -3.210 -0.115) 4.787 7.863 ( 0.211 2.478 -2.143) 3.283 7.938 ( -0.909 -1.686 -3.101) 3.645 8.074 ( 3.116 0.012 0.241) 3.125 8.406 ( -0.632 -2.486 -3.446) 4.296 8.478 ( -0.811 -6.751 -0.648) 6.830 8.519 ( 2.708 -4.497 1.310) 5.410 8.624 ( 0.973 -3.858 6.012) 7.209 8.757 ( -3.602 -3.356 -1.135) 5.053 8.784 ( -1.534 -2.718 4.376) 5.375 8.988 ( -4.762 -3.394 -0.053) 5.848 9.084 ( 3.965 5.610 -0.798) 6.916 9.201 ( -1.206 4.265 -1.070) 4.560 9.293 ( -5.712 3.137 2.522) 6.988 9.343 ( -4.408 1.139 -4.087) 6.118 9.552 ( 1.872 -9.266 4.881) 10.639 9.605 ( 8.089 -9.114 0.030) 12.186 9.891 ( -1.591 -4.070 -2.693) 5.133 9.915 ( 3.098 -4.017 -2.485) 5.649 10.051 ( -1.666 -8.888 1.277) 9.133 10.182 ( 0.725 -7.756 -2.357) 8.139 10.506 ( -4.058 -0.768 3.621) 5.493 10.584 ( 2.577 2.091 -0.971) 3.458 10.704 ( -0.776 4.949 -0.524) 5.037 10.769 ( -2.102 -3.270 0.419) 3.910 10.954 ( -0.019 -3.370 3.434) 4.811 10.980 ( -4.554 2.166 3.885) 6.366 11.115 ( 8.200 -1.570 -3.794) 9.171 11.278 ( 8.083 -2.051 -0.013) 8.340 11.383 ( 0.870 -5.232 -0.826) 5.368 11.546 ( -7.154 0.247 1.346) 7.283 11.633 ( 3.835 -2.401 2.656) 5.246 11.742 ( -2.445 2.376 2.043) 3.974 11.855 ( 1.993 4.267 -1.410) 4.916 12.006 ( 2.673 -1.122 -2.502) 3.829 12.058 ( -1.664 -1.086 0.208) 1.998 12.212 ( 3.112 -0.185 -3.070) 4.375 12.253 ( -1.919 1.173 -2.234) 3.170 12.458 ( -4.369 -0.250 -2.322) 4.954 12.591 ( 4.167 2.323 -0.911) 4.857 12.621 ( -2.731 -0.179 -1.476) 3.109 12.711 ( 2.191 0.766 2.124) 3.146 12.887 ( -0.392 6.679 -7.319) 9.916 12.918 ( -5.753 2.405 3.157) 6.989 13.222 ( -0.630 6.081 4.213) 7.425 13.314 ( 0.000 5.522 0.152) 5.524 13.371 ( 0.929 -0.049 -5.359) 5.439 13.594 ( -2.228 11.020 -1.463) 11.338 13.650 ( -3.138 0.942 -4.831) 5.837 13.717 ( 5.019 2.273 3.720) 6.648 13.892 ( 3.845 0.061 1.641) 4.181 14.107 ( -6.059 -1.863 6.260) 8.909 14.127 ( -3.756 4.759 1.720) 6.302 14.475 ( 1.020 -4.166 2.060) 4.758 14.760 ( -4.612 -2.852 15.364) 16.293 15.153 ( -9.719 2.907 -14.897) 18.023 15.280 ( 13.103 11.620 6.429) 18.656 16.044 ( 11.772 -4.422 -3.545) 13.065 16.118 ( 17.264 -16.752 -3.129) 24.258 16.414 ( -9.271 -3.513 1.960) 10.107 16.480 ( -12.049 -4.574 -3.762) 13.426 17.102 ( 3.982 -1.338 4.969) 6.507 17.144 ( -0.505 -4.254 3.847) 5.758 17.575 ( -2.840 -7.091 -2.394) 8.005 17.614 ( -6.006 -3.669 -3.970) 8.080 ======================= Grid point 102 (50/108) ======================= q-point: (-0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -17.092 7.896 1.707) 18.905 2.190 ( -7.823 18.309 2.513) 20.068 2.464 ( 3.394 4.586 4.630) 7.348 2.596 ( 6.737 8.439 7.827) 13.336 2.631 ( 3.338 11.910 -6.240) 13.854 2.755 ( 0.724 6.953 -4.302) 8.209 2.851 ( 1.153 1.126 -1.925) 2.511 2.936 ( 10.138 7.439 -0.551) 12.587 3.438 ( -4.286 17.163 4.146) 18.170 3.757 ( 2.300 12.161 2.438) 12.615 3.955 ( -17.180 6.018 0.031) 18.203 3.968 ( -10.006 7.875 0.483) 12.742 4.075 ( -14.752 1.878 3.616) 15.304 4.282 ( -0.230 2.545 -1.445) 2.936 4.435 ( 4.803 3.924 -4.861) 7.880 4.515 ( -6.322 -2.569 -2.136) 7.150 4.714 ( -3.091 -3.461 2.381) 5.215 4.763 ( 3.638 -3.249 1.339) 5.058 4.863 ( -1.505 2.897 0.516) 3.305 4.975 ( -3.503 6.524 -0.864) 7.455 5.150 ( -0.795 -3.590 -2.849) 4.651 5.297 ( -11.309 -1.130 -0.192) 11.366 5.365 ( 13.348 4.917 -0.895) 14.253 5.438 ( -0.730 -2.056 -0.038) 2.182 5.595 ( 4.797 -1.905 1.595) 5.402 5.605 ( 2.742 0.415 -1.313) 3.068 5.655 ( 4.750 -0.061 -3.371) 5.825 5.755 ( 6.059 -0.578 -1.941) 6.389 5.889 ( 3.756 -3.158 1.157) 5.041 6.009 ( 4.035 -4.350 1.925) 6.238 6.125 ( -2.103 3.184 -1.100) 3.971 6.269 ( 7.989 -4.704 1.928) 9.469 6.353 ( 0.389 -6.526 0.138) 6.539 6.432 ( -0.686 -6.242 -0.387) 6.291 6.623 ( -0.733 6.973 -2.906) 7.589 6.676 ( -1.808 3.820 0.130) 4.228 6.908 ( -11.504 -0.564 0.924) 11.555 7.132 ( 2.258 -2.576 0.983) 3.564 7.238 ( -0.335 -7.750 -2.724) 8.222 7.272 ( 5.570 1.180 4.532) 7.277 7.449 ( 0.823 -4.214 0.368) 4.309 7.535 ( -4.278 0.353 0.552) 4.328 7.701 ( 2.577 -1.779 0.671) 3.203 7.739 ( 0.949 -1.346 -1.600) 2.296 7.886 ( 0.058 -3.322 -3.647) 4.934 7.941 ( 4.089 6.747 -1.824) 8.097 8.114 ( -1.668 3.708 2.813) 4.944 8.311 ( -6.814 -6.777 -6.188) 11.430 8.400 ( -1.155 -4.139 -2.126) 4.794 8.566 ( -7.843 -3.750 0.400) 8.702 8.623 ( -4.579 -4.224 5.986) 8.639 8.692 ( 8.104 -3.311 1.083) 8.821 8.836 ( -3.673 -5.226 2.568) 6.884 8.936 ( 3.961 -3.570 0.072) 5.333 9.098 ( -3.079 4.867 -0.003) 5.759 9.156 ( 1.490 2.220 -3.124) 4.112 9.285 ( 4.696 1.573 -0.157) 4.955 9.364 ( 5.287 6.649 -0.457) 8.507 9.590 ( -1.847 -9.224 5.057) 10.680 9.707 ( -1.728 -9.226 1.776) 9.553 9.830 ( 1.610 -5.251 -2.413) 5.999 9.948 ( 1.323 -3.249 -4.395) 5.624 9.997 ( -5.452 -8.305 0.268) 9.939 10.215 ( 4.355 -6.167 -0.921) 7.606 10.426 ( -4.914 -0.700 1.893) 5.313 10.598 ( -1.063 -0.366 0.958) 1.477 10.679 ( -0.351 3.800 -2.756) 4.707 10.751 ( 0.020 -0.921 -1.168) 1.487 10.916 ( -5.753 -0.903 6.177) 8.490 10.939 ( -1.552 0.580 0.348) 1.693 11.219 ( 1.416 -1.732 -3.150) 3.864 11.340 ( -7.120 -1.627 0.147) 7.305 11.399 ( -0.931 -8.712 5.469) 10.328 11.463 ( 6.652 0.586 -2.403) 7.097 11.655 ( 1.483 0.063 0.372) 1.530 11.826 ( 4.181 3.488 6.587) 8.546 11.872 ( -0.199 1.914 -0.749) 2.065 11.992 ( -2.519 0.483 -2.522) 3.597 12.086 ( 3.410 -2.441 1.011) 4.314 12.188 ( -0.711 -1.936 -2.295) 3.085 12.266 ( 1.255 0.598 -2.060) 2.485 12.390 ( 1.819 -0.550 -6.011) 6.304 12.604 ( 1.061 3.754 -2.468) 4.616 12.651 ( -0.486 2.519 -0.716) 2.664 12.702 ( -0.561 -3.076 0.197) 3.133 12.872 ( 4.402 6.523 -3.800) 8.739 12.897 ( -0.550 2.145 2.878) 3.631 13.228 ( -1.771 6.494 6.353) 9.256 13.283 ( -1.694 4.352 -2.015) 5.087 13.369 ( 2.161 -3.184 -9.321) 10.084 13.543 ( -0.571 11.619 -2.778) 11.960 13.619 ( 1.487 2.200 -0.411) 2.687 13.832 ( 1.839 2.815 3.393) 4.777 13.951 ( -3.944 -1.206 5.522) 6.892 13.972 ( 0.965 1.374 1.103) 2.009 14.195 ( 3.687 1.889 6.129) 7.398 14.546 ( 4.055 -2.186 2.704) 5.342 14.726 ( -6.665 0.243 8.692) 10.956 14.918 ( -6.506 2.451 -6.862) 9.768 15.553 ( 10.428 11.023 2.690) 15.410 16.114 ( -8.576 -7.034 -1.514) 11.195 16.169 ( -13.157 -5.055 -0.511) 14.104 16.291 ( 0.776 -1.816 -2.558) 3.231 16.432 ( 15.237 -16.781 -4.777) 23.164 17.107 ( -4.225 -2.582 6.169) 7.910 17.192 ( -1.168 -6.188 5.317) 8.242 17.522 ( -1.378 -3.175 -5.000) 6.081 17.604 ( 9.503 -2.855 -4.028) 10.709 ======================= Grid point 103 (51/108) ======================= q-point: (-0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -13.016 13.572 4.944) 19.443 1.997 ( -14.690 19.615 2.270) 24.611 2.329 ( -16.257 4.759 -0.344) 16.943 2.629 ( -1.495 12.617 -3.731) 13.242 2.752 ( 2.204 -1.978 0.032) 2.962 2.832 ( 9.724 8.007 3.679) 13.123 2.974 ( 11.333 5.495 -0.354) 12.600 3.176 ( 11.890 5.603 -0.089) 13.144 3.363 ( -25.858 12.630 -0.986) 28.794 3.382 ( -4.285 14.691 0.905) 15.330 3.645 ( -16.104 7.225 -0.891) 17.673 3.839 ( 0.083 8.466 3.012) 8.986 3.912 ( -8.405 1.644 0.209) 8.567 4.318 ( 1.917 4.889 4.284) 6.777 4.412 ( 2.045 4.444 -7.731) 9.149 4.493 ( -3.798 0.265 3.435) 5.128 4.642 ( -3.663 0.877 2.693) 4.630 4.699 ( -8.103 -4.698 -1.174) 9.440 4.817 ( -4.102 5.221 2.494) 7.092 4.878 ( -2.593 2.855 -1.840) 4.273 5.069 ( -8.852 -3.773 -2.673) 9.987 5.124 ( -4.019 -1.241 -0.696) 4.263 5.355 ( -5.281 3.667 0.755) 6.474 5.585 ( -2.524 2.195 1.821) 3.809 5.698 ( 6.819 -3.462 -3.358) 8.352 5.716 ( 11.098 2.484 -1.645) 11.491 5.756 ( 4.831 0.975 2.002) 5.320 5.875 ( 8.162 0.018 -1.480) 8.295 6.035 ( 1.269 -3.219 -1.948) 3.970 6.080 ( 7.114 -0.063 -0.187) 7.117 6.165 ( 9.347 -0.662 3.406) 9.970 6.322 ( -0.384 -5.380 -1.765) 5.675 6.377 ( -2.757 -3.485 -1.498) 4.689 6.483 ( 7.735 -5.525 0.598) 9.525 6.656 ( 7.479 -0.744 0.948) 7.576 6.692 ( 0.020 -2.221 -2.405) 3.273 6.759 ( -2.787 2.442 1.270) 3.917 7.117 ( -3.950 -1.539 3.388) 5.426 7.175 ( -7.421 -10.876 -4.592) 13.944 7.311 ( -3.574 -4.112 0.681) 5.491 7.433 ( -1.218 -0.673 -1.460) 2.017 7.486 ( 1.225 -1.247 2.040) 2.687 7.660 ( -3.389 -1.671 -2.187) 4.366 7.765 ( 2.374 -5.106 -3.694) 6.734 7.902 ( -7.596 7.435 0.137) 10.631 7.949 ( 3.926 2.393 -0.773) 4.663 8.084 ( -1.900 -3.174 1.224) 3.897 8.161 ( -2.823 -0.989 -0.228) 2.999 8.342 ( -8.449 -7.168 2.029) 11.264 8.462 ( -0.666 -4.007 -0.956) 4.173 8.563 ( -1.581 1.548 1.102) 2.472 8.793 ( -1.028 -2.277 6.000) 6.500 8.850 ( 6.649 -4.097 -1.722) 7.998 8.955 ( -3.270 -2.527 -3.642) 5.508 9.120 ( 5.628 -2.478 3.337) 6.996 9.268 ( 6.199 -1.546 -1.624) 6.592 9.360 ( 3.977 -0.289 2.508) 4.710 9.465 ( 3.437 8.768 -0.388) 9.426 9.540 ( -2.142 -4.347 -1.627) 5.111 9.668 ( 0.908 -5.495 -1.714) 5.827 9.820 ( -6.917 -5.785 0.239) 9.021 9.888 ( -0.787 -6.919 4.383) 8.229 9.992 ( 4.939 0.830 -4.939) 7.034 10.302 ( 3.436 -3.902 0.845) 5.267 10.344 ( -4.654 0.144 0.343) 4.669 10.551 ( -4.473 -0.373 0.906) 4.579 10.656 ( -0.100 1.308 -3.092) 3.359 10.746 ( -3.096 0.560 2.243) 3.864 10.830 ( -3.730 -3.238 3.915) 6.302 10.925 ( 0.113 3.747 0.169) 3.753 11.144 ( -5.729 -3.186 -0.751) 6.598 11.182 ( -6.739 -1.882 0.132) 6.999 11.419 ( -2.336 -4.774 5.711) 7.801 11.569 ( 4.120 0.344 -3.980) 5.739 11.718 ( 2.299 -2.031 0.643) 3.134 11.810 ( -2.082 2.398 -2.213) 3.871 11.909 ( -2.011 6.675 -1.474) 7.126 11.956 ( 2.134 -2.222 4.441) 5.405 12.155 ( 2.975 -6.593 0.354) 7.242 12.209 ( 3.508 -2.253 -0.107) 4.170 12.277 ( 0.957 1.771 1.126) 2.307 12.432 ( 4.442 -2.881 -7.490) 9.172 12.493 ( -6.800 1.301 -3.606) 7.806 12.685 ( 4.641 1.877 -3.446) 6.077 12.762 ( 4.287 -1.794 -0.507) 4.675 12.908 ( 0.513 1.701 1.310) 2.207 12.937 ( 2.159 6.223 0.987) 6.660 13.217 ( -2.568 7.087 2.275) 7.873 13.267 ( 0.087 3.361 4.220) 5.396 13.345 ( 2.937 -3.566 -12.267) 13.108 13.535 ( -0.762 13.170 0.529) 13.203 13.677 ( 4.673 0.301 -1.701) 4.982 13.767 ( -4.675 -1.372 0.073) 4.873 14.006 ( 2.518 3.402 2.877) 5.117 14.035 ( 1.157 6.370 11.852) 13.505 14.332 ( 7.370 -3.046 3.449) 8.688 14.625 ( 2.552 -5.021 -0.244) 5.638 14.656 ( -2.265 4.011 5.163) 6.919 14.818 ( -2.466 5.576 -2.132) 6.459 15.598 ( -8.006 -2.488 -1.820) 8.579 15.816 ( -15.602 -9.099 -1.689) 18.140 16.041 ( 1.058 7.010 -3.464) 7.891 16.340 ( 2.219 0.817 1.100) 2.608 16.638 ( 7.900 -13.581 -4.832) 16.438 17.028 ( -6.761 -1.664 3.667) 7.869 17.203 ( 0.732 -9.009 6.916) 11.381 17.486 ( 0.678 -2.119 -4.789) 5.280 17.857 ( 16.328 -6.365 -1.767) 17.614 ======================= Grid point 104 (52/108) ======================= q-point: (-0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -10.960 14.306 8.566) 19.955 1.623 ( -20.638 16.051 4.374) 26.509 1.953 ( -18.304 1.816 -0.898) 18.415 2.571 ( 0.374 14.573 -5.598) 15.615 2.777 ( -1.370 10.313 4.715) 11.422 2.976 ( -7.439 13.788 -3.059) 15.963 3.022 ( 5.204 2.592 4.992) 7.663 3.194 ( 6.070 7.535 0.464) 9.687 3.209 ( -7.179 9.977 1.727) 12.412 3.460 ( 13.158 4.731 -6.671) 15.492 3.557 ( 3.251 6.374 -1.711) 7.357 3.742 ( -6.930 4.501 -1.280) 8.362 3.860 ( 3.749 3.588 1.766) 5.482 4.269 ( -11.255 1.643 3.703) 11.962 4.391 ( -10.277 1.251 2.936) 10.761 4.398 ( -1.661 3.146 -0.471) 3.589 4.608 ( 4.174 3.420 -2.033) 5.766 4.657 ( 3.404 2.507 -0.793) 4.301 4.723 ( -4.177 8.792 2.152) 9.969 4.865 ( -1.928 4.587 1.050) 5.085 4.929 ( -5.125 2.275 -4.928) 7.465 5.024 ( -2.830 -0.376 -0.537) 2.905 5.303 ( -1.547 2.564 3.552) 4.645 5.468 ( -6.655 3.136 1.738) 7.560 5.739 ( -0.591 -2.354 -5.365) 5.889 5.782 ( 0.392 4.614 0.214) 4.636 5.884 ( 3.332 -0.886 6.192) 7.087 5.994 ( 4.449 -3.067 -3.770) 6.589 6.054 ( 1.503 -6.649 0.740) 6.857 6.183 ( 0.886 2.193 0.318) 2.387 6.309 ( 3.517 -2.367 -2.623) 4.985 6.376 ( 3.722 -7.893 0.509) 8.742 6.422 ( 10.213 -2.736 1.035) 10.623 6.559 ( 0.815 -5.699 -6.253) 8.500 6.652 ( -1.466 -4.493 -3.968) 6.171 6.769 ( 2.033 2.286 0.916) 3.193 6.800 ( 3.396 -3.001 1.919) 4.921 6.905 ( -10.309 -10.322 -1.788) 14.697 7.098 ( -1.303 -1.526 3.372) 3.924 7.209 ( -4.356 -4.837 -1.712) 6.731 7.425 ( 2.113 -2.635 -1.855) 3.853 7.586 ( -1.300 -0.784 -1.651) 2.243 7.656 ( 7.353 -1.540 5.906) 9.556 7.698 ( -4.204 2.887 -2.261) 5.578 7.787 ( -2.014 -0.336 -0.302) 2.064 7.952 ( -3.860 -0.445 -0.955) 4.001 8.006 ( -3.668 -3.958 -4.782) 7.210 8.170 ( -5.270 -9.264 8.504) 13.635 8.250 ( 2.191 -3.329 4.269) 5.840 8.452 ( -1.782 -5.181 -1.899) 5.798 8.575 ( 2.480 8.628 -0.615) 8.998 8.791 ( -5.733 -4.572 -3.236) 8.015 8.823 ( 0.181 -3.166 4.045) 5.140 9.036 ( 8.495 -5.822 -1.720) 10.441 9.182 ( -1.742 -5.944 0.977) 6.271 9.281 ( 0.177 1.616 -0.823) 1.822 9.463 ( -1.178 4.351 0.287) 4.517 9.516 ( 2.100 0.542 -1.922) 2.898 9.549 ( 7.781 0.723 0.393) 7.824 9.704 ( -2.683 -1.604 -0.619) 3.187 9.742 ( 4.710 -1.110 -0.761) 4.899 9.931 ( 2.178 -0.541 5.410) 5.857 10.078 ( 5.599 -0.279 -1.263) 5.746 10.226 ( -6.229 0.492 -3.408) 7.117 10.327 ( -4.523 -1.179 5.418) 7.156 10.449 ( -4.863 -0.585 0.922) 4.984 10.624 ( -4.072 0.919 -3.286) 5.313 10.680 ( 0.765 1.117 3.836) 4.068 10.834 ( -0.188 -3.574 2.141) 4.170 10.916 ( -3.612 -0.346 0.203) 3.634 11.057 ( -0.454 -0.690 -0.548) 0.991 11.139 ( 3.297 -1.095 -0.079) 3.475 11.386 ( -3.215 -2.084 1.467) 4.103 11.520 ( -5.822 0.260 -2.519) 6.349 11.699 ( -4.994 -3.386 5.326) 8.048 11.819 ( 4.300 -2.236 -6.292) 7.942 11.890 ( 0.123 9.300 0.174) 9.302 11.978 ( -1.664 -0.992 2.370) 3.061 12.234 ( 4.214 -6.304 0.597) 7.607 12.269 ( 1.540 -4.948 1.680) 5.448 12.310 ( 1.270 1.304 0.599) 1.916 12.346 ( -4.943 -0.477 -3.570) 6.116 12.457 ( 3.231 -4.343 -9.675) 11.087 12.751 ( 4.071 3.468 -3.711) 6.509 12.832 ( 2.538 0.164 0.145) 2.547 12.915 ( -1.510 -1.074 4.551) 4.914 12.993 ( 3.647 6.386 0.463) 7.368 13.200 ( -0.537 6.171 4.686) 7.767 13.296 ( 1.282 3.873 0.534) 4.114 13.349 ( 2.310 -0.628 -5.185) 5.711 13.502 ( -2.899 12.901 0.710) 13.242 13.711 ( -1.769 -1.423 1.698) 2.835 13.733 ( 2.961 1.943 -9.197) 9.855 14.067 ( 1.876 2.735 5.043) 6.036 14.124 ( -0.101 7.424 11.523) 13.708 14.484 ( 5.967 -1.934 4.250) 7.576 14.645 ( -0.765 -7.375 0.408) 7.425 14.744 ( 4.886 3.653 -1.510) 6.285 14.776 ( 3.165 4.633 2.366) 6.090 15.325 ( -15.567 -10.817 -3.373) 19.254 15.543 ( -10.791 -6.959 -2.842) 13.151 16.061 ( 2.776 10.941 -10.382) 15.337 16.382 ( 0.620 0.907 4.875) 4.997 16.689 ( 1.275 -5.778 -3.020) 6.643 16.926 ( -4.665 0.220 1.450) 4.890 17.274 ( 1.262 -10.720 2.468) 11.073 17.515 ( 3.632 -5.178 3.185) 7.082 18.138 ( 12.214 -11.720 -2.649) 17.133 ======================= Grid point 105 (53/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.711 7.033 1.021) 7.143 1.623 ( 0.845 -0.035 -4.355) 4.436 2.017 ( 0.730 14.318 11.743) 18.532 2.565 ( 0.039 -9.792 -4.036) 10.592 3.032 ( -0.237 7.676 0.425) 7.691 3.095 ( -0.636 6.973 0.605) 7.028 3.170 ( 0.561 6.778 6.435) 9.363 3.288 ( -2.611 5.971 -0.411) 6.530 3.464 ( -4.934 12.688 -0.608) 13.627 3.668 ( 4.012 4.823 -1.127) 6.374 3.730 ( 0.027 1.917 -3.063) 3.613 3.847 ( 9.593 5.155 -2.421) 11.156 3.926 ( -6.725 -4.943 3.210) 8.943 4.031 ( -2.477 -1.829 0.669) 3.151 4.289 ( -0.929 5.644 2.286) 6.160 4.443 ( 0.791 -0.114 -0.544) 0.967 4.806 ( 2.607 6.146 -4.324) 7.954 4.838 ( -3.367 6.854 1.400) 7.764 4.864 ( 6.515 5.455 -1.686) 8.663 4.893 ( -7.168 4.065 -0.734) 8.273 4.978 ( 2.344 7.534 -0.750) 7.926 5.096 ( 5.414 1.941 -1.060) 5.848 5.294 ( -1.658 -0.776 2.802) 3.347 5.411 ( -6.020 -2.101 3.582) 7.314 5.679 ( 1.995 -0.139 -2.616) 3.293 5.812 ( 1.853 -0.479 -2.965) 3.529 5.910 ( 0.242 1.491 0.175) 1.521 5.920 ( 0.360 -2.731 2.664) 3.832 6.060 ( -1.634 2.677 -1.378) 3.425 6.205 ( -3.173 -2.118 2.532) 4.578 6.246 ( 2.641 -4.120 -1.685) 5.176 6.314 ( 0.901 -5.710 -1.786) 6.050 6.396 ( 6.361 -5.294 -6.059) 10.257 6.456 ( -0.232 -7.408 -5.082) 8.987 6.548 ( 1.899 -2.839 1.082) 3.583 6.633 ( -0.749 -6.091 2.856) 6.769 6.740 ( -7.193 2.657 4.101) 8.696 6.865 ( 1.224 1.623 2.179) 2.980 7.026 ( -1.008 -3.699 1.191) 4.015 7.057 ( 2.591 -6.844 -2.828) 7.846 7.431 ( -4.715 -1.961 1.083) 5.220 7.471 ( -0.012 -3.453 -0.439) 3.481 7.663 ( -0.809 1.095 -1.798) 2.255 7.723 ( -1.441 -1.324 -4.135) 4.575 7.838 ( 1.040 1.147 2.925) 3.309 7.867 ( 0.253 1.089 6.174) 6.274 7.944 ( 3.061 -0.891 2.697) 4.176 7.990 ( 5.125 -3.518 5.032) 7.998 8.281 ( -4.419 4.154 -3.843) 7.180 8.372 ( 1.267 -0.994 -2.815) 3.243 8.553 ( -0.507 -7.547 -4.776) 8.945 8.631 ( -0.754 -7.847 -3.272) 8.535 8.826 ( 2.173 -1.300 5.360) 5.928 8.912 ( -0.587 -5.672 4.394) 7.199 9.221 ( -1.531 7.653 -1.849) 8.021 9.323 ( -1.871 3.167 -2.637) 4.525 9.483 ( -1.760 -0.792 0.313) 1.956 9.570 ( 2.044 0.732 1.384) 2.575 9.623 ( 6.094 -0.406 -2.635) 6.652 9.729 ( -2.570 4.221 -1.180) 5.081 9.826 ( -1.376 -0.506 2.371) 2.788 9.982 ( -8.858 -0.991 -0.458) 8.925 10.133 ( 3.137 0.378 1.437) 3.471 10.168 ( 4.488 -0.997 3.715) 5.911 10.292 ( -0.654 3.935 -1.058) 4.126 10.410 ( 1.524 -0.914 -1.479) 2.312 10.583 ( -0.745 1.908 1.753) 2.696 10.728 ( -2.868 -4.978 2.206) 6.154 10.765 ( 4.076 -0.687 2.441) 4.800 10.806 ( 0.723 -1.104 -0.593) 1.447 11.139 ( 0.928 4.250 0.919) 4.447 11.268 ( -4.382 -1.677 0.330) 4.703 11.275 ( 3.303 1.498 -0.757) 3.705 11.411 ( -1.869 -0.724 -4.348) 4.788 11.564 ( -4.501 -0.912 5.951) 7.517 11.737 ( 0.124 -6.698 2.246) 7.065 11.968 ( -0.358 -1.655 -2.160) 2.744 12.010 ( 2.853 0.413 -3.206) 4.311 12.131 ( 0.293 -0.665 1.493) 1.660 12.214 ( 1.900 0.907 -1.557) 2.619 12.306 ( 0.784 -2.192 -3.017) 3.811 12.340 ( 0.429 -2.210 -3.963) 4.558 12.436 ( 0.277 3.539 1.404) 3.818 12.743 ( -2.011 -7.528 -3.020) 8.357 12.883 ( 2.086 4.129 -1.846) 4.981 12.949 ( 1.701 1.411 -0.104) 2.213 13.176 ( 3.067 4.276 2.929) 6.023 13.316 ( 0.963 -0.474 5.966) 6.061 13.378 ( 3.284 2.756 1.005) 4.403 13.492 ( 0.953 5.866 4.753) 7.610 13.597 ( -6.406 4.085 -0.437) 7.610 13.742 ( 0.803 10.790 0.148) 10.821 13.796 ( 0.674 1.717 -3.998) 4.403 14.131 ( -2.427 -0.275 2.604) 3.570 14.180 ( -6.950 0.982 5.406) 8.860 14.441 ( -3.958 -6.662 1.429) 7.880 14.525 ( 3.722 -9.198 1.744) 10.075 14.723 ( -5.404 -8.505 -2.164) 10.306 14.950 ( 0.100 3.713 1.981) 4.210 15.011 ( 10.409 0.610 2.916) 10.827 15.436 ( -2.762 11.590 -11.033) 16.238 16.036 ( -2.793 -5.588 -22.812) 23.652 16.458 ( 1.393 1.600 6.595) 6.927 16.599 ( 3.218 -6.300 1.019) 7.147 16.930 ( -0.823 3.637 5.060) 6.285 17.168 ( -1.932 -6.223 14.458) 15.859 17.511 ( 0.912 3.070 -4.261) 5.330 17.955 ( 0.626 -13.873 -5.884) 15.083 ======================= Grid point 106 (54/108) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 21.157 6.890 1.462) 22.298 1.852 ( 20.338 1.648 -2.537) 20.562 2.174 ( 9.742 8.549 10.204) 16.496 2.529 ( -0.413 -6.946 -4.450) 8.260 2.983 ( -5.550 6.268 1.129) 8.448 3.039 ( -7.456 5.873 3.055) 9.971 3.204 ( -2.290 13.950 -0.034) 14.137 3.264 ( 6.176 5.429 0.056) 8.223 3.382 ( -2.564 4.143 0.278) 4.881 3.601 ( -10.335 3.226 -0.954) 10.869 3.762 ( 6.572 3.384 -1.934) 7.641 3.914 ( 7.197 -0.117 1.194) 7.297 3.963 ( -2.592 6.734 3.549) 8.041 4.066 ( 8.286 2.736 -6.379) 10.809 4.428 ( 10.630 -0.155 2.648) 10.956 4.447 ( -0.368 1.340 2.910) 3.225 4.668 ( -8.688 8.348 1.793) 12.181 4.794 ( -0.026 4.215 -3.542) 5.505 4.848 ( 1.727 3.352 -3.821) 5.368 4.934 ( 2.258 0.956 -1.457) 2.852 5.066 ( 0.994 3.579 2.972) 4.758 5.127 ( 0.339 3.155 0.970) 3.318 5.346 ( -1.727 -0.808 0.903) 2.110 5.390 ( 8.887 -0.867 -0.650) 8.953 5.662 ( -0.081 1.635 -2.227) 2.765 5.838 ( -1.292 2.901 -1.474) 3.501 5.896 ( 0.251 0.915 0.914) 1.318 5.961 ( 0.599 -3.279 0.060) 3.333 6.042 ( -2.578 -3.418 2.225) 4.825 6.169 ( -3.270 -3.165 -0.299) 4.561 6.181 ( -3.383 -1.641 -2.697) 4.627 6.351 ( 0.411 -6.336 -3.084) 7.059 6.435 ( 0.998 -2.724 -3.269) 4.371 6.473 ( -7.979 -1.328 1.369) 8.203 6.533 ( 5.710 -2.614 -5.174) 8.137 6.631 ( -3.301 -1.365 2.669) 4.460 6.671 ( 3.760 -4.187 0.965) 5.710 6.887 ( 1.284 -3.193 4.612) 5.755 7.073 ( 4.243 -0.787 2.435) 4.955 7.116 ( 3.926 -5.262 -0.552) 6.588 7.369 ( 0.773 -1.041 -1.853) 2.262 7.473 ( 1.327 -3.326 -0.834) 3.677 7.636 ( -5.540 1.275 -1.302) 5.832 7.645 ( -2.783 0.276 -1.345) 3.104 7.821 ( 1.694 0.656 2.052) 2.741 8.016 ( 8.485 -6.473 8.554) 13.677 8.056 ( 2.727 3.554 1.676) 4.783 8.155 ( -3.775 6.005 -5.064) 8.715 8.202 ( 9.968 -3.340 4.695) 11.514 8.366 ( 1.164 -2.568 -2.266) 3.618 8.518 ( -0.329 -7.665 -4.774) 9.036 8.628 ( 1.401 -7.746 -3.224) 8.507 8.903 ( 0.767 -0.639 4.811) 4.913 8.952 ( 4.630 -5.693 3.497) 8.129 9.103 ( -8.328 8.816 -1.833) 12.266 9.256 ( -3.241 0.681 -1.993) 3.865 9.449 ( -2.985 -0.047 -0.070) 2.986 9.577 ( -3.204 2.937 2.238) 4.889 9.606 ( -6.752 5.125 -3.314) 9.102 9.674 ( -0.005 -3.745 -1.072) 3.896 9.744 ( -8.102 -1.435 0.495) 8.243 9.823 ( -3.458 -5.387 3.080) 7.104 10.149 ( -3.496 0.763 -0.434) 3.604 10.171 ( -1.805 -0.167 -1.531) 2.373 10.404 ( 8.023 2.968 1.462) 8.679 10.496 ( 7.169 1.524 -1.840) 7.557 10.604 ( 0.673 -0.079 4.904) 4.950 10.705 ( 0.725 -4.473 -0.343) 4.545 10.835 ( 3.834 0.656 2.348) 4.543 10.930 ( 7.008 -2.976 3.546) 8.399 11.098 ( -7.003 3.243 1.515) 7.865 11.172 ( -0.745 3.559 0.211) 3.642 11.285 ( -0.417 -3.781 -5.077) 6.344 11.409 ( 0.238 -4.399 -0.550) 4.439 11.585 ( 4.128 3.291 1.907) 5.613 11.769 ( 2.310 -4.314 0.703) 4.944 11.958 ( 0.043 0.609 -1.203) 1.349 12.043 ( -0.908 1.291 -1.765) 2.368 12.121 ( 0.801 2.981 -1.979) 3.667 12.207 ( -2.150 -2.485 -0.399) 3.310 12.311 ( -0.395 -0.854 -0.556) 1.093 12.348 ( 4.057 -5.538 -3.525) 7.717 12.459 ( 0.676 2.885 3.532) 4.610 12.677 ( -2.117 -6.403 -3.833) 7.757 12.883 ( -0.826 4.849 -1.902) 5.274 12.972 ( 1.577 2.082 -2.665) 3.732 13.259 ( 1.907 3.204 4.831) 6.102 13.354 ( -3.068 -0.392 2.824) 4.188 13.402 ( -3.407 4.867 -2.779) 6.558 13.466 ( -2.060 3.857 2.381) 4.979 13.484 ( -1.670 5.219 3.018) 6.256 13.758 ( -1.731 -0.441 1.486) 2.324 13.823 ( 5.550 11.545 -1.981) 12.962 14.046 ( -8.641 -1.966 2.353) 9.169 14.141 ( -0.401 -0.482 7.909) 7.934 14.264 ( -9.418 -6.521 -3.375) 11.942 14.553 ( -1.414 -3.825 6.579) 7.740 14.706 ( -0.093 -3.989 4.589) 6.081 15.113 ( 10.435 8.099 3.129) 13.575 15.193 ( 7.576 0.137 -8.816) 11.625 15.381 ( 5.914 -0.822 -4.940) 7.750 15.824 ( -4.480 -7.637 -21.406) 23.165 16.523 ( 0.735 1.984 5.790) 6.164 16.647 ( 1.626 -3.704 -0.950) 4.155 16.964 ( 0.755 3.099 5.673) 6.508 17.167 ( -5.992 -2.692 10.984) 12.798 17.495 ( -0.300 -1.552 -2.273) 2.769 17.853 ( -6.501 -12.058 -6.559) 15.188 ======================= Grid point 107 (55/108) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 9.440 5.850 7.231) 13.252 2.212 ( 13.967 1.163 -0.929) 14.046 2.490 ( 11.072 5.082 -0.873) 12.214 2.537 ( 8.076 1.696 0.300) 8.257 2.783 ( -12.085 4.141 -0.657) 12.792 2.929 ( -6.147 0.034 2.499) 6.635 3.105 ( -8.000 13.763 0.258) 15.922 3.332 ( -7.199 7.044 0.137) 10.073 3.513 ( 17.551 4.749 -1.101) 18.215 3.594 ( 17.550 3.619 1.092) 17.953 3.880 ( 5.300 4.038 -1.433) 6.816 3.902 ( -2.040 12.379 2.093) 12.719 4.076 ( 5.747 2.482 1.990) 6.569 4.179 ( 7.692 -0.125 -7.459) 10.715 4.431 ( -2.900 6.797 2.810) 7.906 4.597 ( -0.128 1.809 5.046) 5.362 4.666 ( 7.172 -4.267 3.264) 8.961 4.771 ( -1.707 -1.329 -1.607) 2.695 4.888 ( 5.071 1.620 -4.162) 6.757 4.980 ( 6.612 -3.464 -4.510) 8.721 5.088 ( 0.871 5.419 5.436) 7.725 5.172 ( 4.345 2.880 -1.796) 5.514 5.323 ( -0.302 2.427 -1.638) 2.943 5.504 ( 0.757 -2.234 -2.648) 3.546 5.664 ( 0.690 0.667 0.451) 1.061 5.777 ( -5.060 1.498 0.884) 5.351 5.855 ( -6.756 2.396 -1.846) 7.402 5.903 ( -6.379 -5.650 0.625) 8.544 5.947 ( -6.460 -0.493 3.213) 7.232 6.055 ( -12.833 0.492 -3.242) 13.245 6.103 ( -6.181 -3.939 -2.625) 7.785 6.176 ( -3.072 -5.616 2.347) 6.818 6.335 ( -5.308 -3.333 -3.258) 7.064 6.450 ( -0.962 -3.407 -1.951) 4.043 6.590 ( 4.342 2.578 -2.708) 5.730 6.678 ( 6.522 0.294 1.268) 6.650 6.828 ( 9.467 -2.554 1.311) 9.893 6.992 ( 5.749 -3.085 0.889) 6.585 7.143 ( 0.712 -0.917 4.570) 4.715 7.214 ( 3.271 -2.432 4.916) 6.386 7.400 ( 0.268 0.853 -1.373) 1.638 7.512 ( 2.131 -0.112 -3.034) 3.709 7.566 ( 3.757 0.542 -2.236) 4.405 7.607 ( 1.933 -1.729 -1.227) 2.869 7.891 ( 3.086 0.367 -0.856) 3.223 8.003 ( -2.436 2.948 -1.979) 4.306 8.079 ( -4.637 2.626 0.041) 5.329 8.222 ( 5.656 -6.453 3.857) 9.408 8.394 ( 3.298 -4.425 5.252) 7.619 8.424 ( 4.970 -3.023 2.297) 6.254 8.501 ( 2.112 -3.654 -5.076) 6.601 8.606 ( -0.953 -4.973 -0.982) 5.158 8.915 ( -9.180 2.420 0.473) 9.506 8.950 ( 2.564 1.135 1.856) 3.363 9.128 ( 5.219 -5.353 -1.152) 7.564 9.177 ( 0.335 0.465 5.855) 5.883 9.362 ( -5.119 1.583 0.186) 5.362 9.444 ( -7.632 0.398 -1.899) 7.874 9.479 ( -4.594 1.442 -4.231) 6.410 9.613 ( -5.312 0.302 2.148) 5.738 9.706 ( 2.989 -3.692 -0.068) 4.751 9.815 ( -0.017 -6.974 2.151) 7.298 10.038 ( -6.024 0.257 -2.953) 6.714 10.118 ( -2.670 -2.808 -2.783) 4.770 10.528 ( 2.034 2.443 3.710) 4.885 10.582 ( 3.484 2.296 -2.620) 4.927 10.673 ( 1.607 -2.299 4.721) 5.492 10.747 ( 4.679 -3.997 -2.644) 6.698 10.936 ( 2.158 1.916 5.322) 6.054 10.977 ( -3.040 3.254 -1.837) 4.817 11.047 ( 0.801 -1.917 5.927) 6.281 11.215 ( 5.642 3.555 -0.280) 6.674 11.230 ( -1.854 -5.247 -3.987) 6.846 11.447 ( 4.892 -4.942 -2.536) 7.401 11.661 ( 0.800 3.852 2.111) 4.465 11.807 ( -0.140 -1.184 0.016) 1.192 11.940 ( -0.521 0.894 -1.894) 2.158 11.980 ( -1.665 2.896 -1.412) 3.626 12.090 ( -4.523 -0.158 0.535) 4.558 12.180 ( 1.244 -1.984 -3.324) 4.066 12.302 ( 0.529 0.304 -2.500) 2.573 12.411 ( 2.747 -5.089 -0.574) 5.811 12.513 ( 2.282 0.778 4.458) 5.068 12.624 ( -2.068 -4.292 -0.738) 4.821 12.840 ( -1.555 7.133 -3.220) 7.979 12.982 ( 2.006 2.395 -5.304) 6.156 13.171 ( -9.064 3.313 -3.748) 10.353 13.258 ( -2.051 -0.930 -5.293) 5.752 13.387 ( 1.260 3.702 0.848) 4.002 13.486 ( -1.498 5.469 3.749) 6.798 13.520 ( 1.914 -0.870 8.787) 9.035 13.742 ( -2.187 -0.241 3.340) 4.000 13.841 ( -1.272 3.206 -8.538) 9.208 13.897 ( -6.582 -1.952 1.799) 7.097 14.165 ( -0.465 4.280 8.982) 9.960 14.221 ( 1.336 3.456 9.656) 10.343 14.569 ( -1.186 3.454 2.491) 4.421 14.680 ( -4.908 -0.401 4.997) 7.016 15.208 ( 5.665 4.525 4.990) 8.802 15.391 ( -3.147 -3.205 -16.004) 16.623 15.452 ( 17.634 -8.485 -8.547) 21.354 15.756 ( 9.190 -8.265 -5.121) 13.379 16.520 ( -4.571 1.548 3.279) 5.835 16.617 ( -5.278 -2.353 -1.349) 5.934 17.019 ( 1.504 1.067 4.953) 5.285 17.104 ( -4.826 -1.058 7.426) 8.920 17.475 ( -0.400 -3.885 -1.880) 4.334 17.669 ( -7.583 -8.208 -5.790) 12.586 ======================= Grid point 108 (56/108) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 2.591 2.529 7.074) 7.946 2.329 ( 0.309 0.282 1.027) 1.109 2.539 ( -0.894 7.897 1.360) 8.063 2.577 ( -1.841 2.158 -0.565) 2.893 2.774 ( 6.278 4.488 -0.107) 7.718 2.896 ( -2.365 -0.189 0.495) 2.423 2.978 ( 1.128 15.617 -0.528) 15.666 3.159 ( -8.648 8.313 0.228) 11.998 3.795 ( 0.980 13.389 4.033) 14.018 3.900 ( 7.175 6.837 -0.562) 9.927 3.998 ( 13.805 2.500 -1.629) 14.124 4.056 ( 11.674 5.171 0.074) 12.768 4.173 ( 7.363 2.368 2.541) 8.141 4.314 ( 8.728 -4.380 -3.660) 10.428 4.367 ( -4.777 5.921 -0.395) 7.618 4.606 ( -3.102 -2.091 4.054) 5.516 4.689 ( -4.922 -4.022 2.140) 6.707 4.700 ( -3.965 -3.722 -2.274) 5.895 4.946 ( 3.065 3.605 -4.592) 6.593 5.128 ( 1.159 5.260 -0.880) 5.457 5.174 ( 9.573 -0.997 -2.441) 9.929 5.279 ( -0.070 2.624 -3.655) 4.500 5.306 ( 6.135 -0.126 -0.697) 6.176 5.455 ( -1.365 -3.479 1.064) 3.885 5.573 ( -14.485 1.237 1.640) 14.630 5.637 ( -2.813 0.166 -2.390) 3.695 5.690 ( -10.654 2.895 -0.170) 11.042 5.738 ( -2.809 1.772 -2.097) 3.928 5.826 ( -4.307 -5.556 1.944) 7.293 5.861 ( -3.099 -4.502 2.815) 6.148 6.080 ( 1.651 -3.221 -2.429) 4.359 6.172 ( 0.786 -7.456 2.849) 8.020 6.252 ( -1.546 2.092 -3.271) 4.179 6.398 ( -2.483 -4.493 -4.002) 6.509 6.668 ( 4.447 4.354 -1.828) 6.486 6.804 ( 3.412 -2.301 -1.574) 4.406 6.967 ( 0.915 0.235 5.273) 5.357 7.071 ( 3.527 -2.048 -0.299) 4.089 7.157 ( -1.897 0.264 4.237) 4.650 7.282 ( 0.467 1.907 7.546) 7.797 7.325 ( -3.845 1.273 -1.785) 4.426 7.589 ( 6.293 -1.911 -2.463) 7.023 7.653 ( 3.746 2.669 1.202) 4.754 7.724 ( 6.597 1.540 -3.202) 7.493 7.909 ( 4.836 3.042 -5.978) 8.269 7.928 ( -8.433 0.728 -1.236) 8.554 8.069 ( 7.875 -0.913 -2.548) 8.327 8.263 ( -2.300 -9.487 -1.580) 9.889 8.359 ( -5.745 -3.247 3.982) 7.708 8.487 ( 1.316 -3.944 2.631) 4.920 8.553 ( 1.366 0.294 3.462) 3.733 8.674 ( 3.606 -4.677 0.261) 5.911 8.733 ( -8.802 -1.271 5.373) 10.390 8.914 ( -6.725 -3.748 1.050) 7.770 9.188 ( 6.289 3.501 0.726) 7.234 9.276 ( -4.717 0.053 -1.847) 5.066 9.318 ( -1.082 1.588 -2.439) 3.105 9.372 ( 6.038 -5.649 2.609) 8.671 9.413 ( 0.912 4.597 -0.404) 4.704 9.521 ( -3.793 -0.535 1.959) 4.302 9.809 ( 5.662 -4.442 -0.633) 7.224 9.820 ( -1.132 -5.652 0.378) 5.776 9.906 ( -3.790 -2.567 -3.463) 5.740 10.047 ( -1.596 -5.811 -3.776) 7.111 10.513 ( -4.800 1.413 4.091) 6.464 10.610 ( -0.794 -0.456 -0.006) 0.916 10.708 ( 1.785 -0.834 -1.191) 2.302 10.810 ( 1.685 1.346 -0.907) 2.339 10.904 ( -0.624 1.920 -0.315) 2.044 11.010 ( -0.318 1.115 0.980) 1.518 11.095 ( 3.840 -0.960 1.468) 4.221 11.199 ( 0.049 -6.628 -0.461) 6.644 11.344 ( 6.843 1.962 -0.859) 7.171 11.486 ( -3.732 -4.509 0.626) 5.886 11.641 ( -1.394 3.091 2.909) 4.468 11.782 ( -0.494 0.083 1.850) 1.917 11.931 ( 0.558 2.128 -2.419) 3.270 11.983 ( 1.126 -1.345 -0.675) 1.879 12.038 ( 0.253 1.065 -0.502) 1.205 12.179 ( 0.092 -2.707 -1.999) 3.366 12.295 ( 0.284 2.527 -3.400) 4.246 12.420 ( -1.554 -3.032 -1.451) 3.703 12.578 ( 1.122 -1.426 3.558) 3.994 12.600 ( 0.685 -1.400 1.251) 1.999 12.811 ( 0.185 6.596 -2.210) 6.959 12.960 ( -5.068 0.963 -0.977) 5.251 13.020 ( 0.982 5.948 -9.916) 11.605 13.219 ( 3.202 -3.879 -10.431) 11.580 13.396 ( -1.361 2.944 1.685) 3.655 13.450 ( -4.351 4.379 3.893) 7.298 13.613 ( 1.741 -1.103 5.131) 5.529 13.705 ( -3.381 0.822 4.907) 6.016 13.758 ( 0.088 0.294 -3.444) 3.458 13.861 ( 0.159 -3.963 2.762) 4.833 14.181 ( -4.526 8.299 6.240) 11.327 14.317 ( 0.900 11.356 5.374) 12.596 14.500 ( -1.439 5.493 -0.497) 5.700 14.685 ( -2.017 -3.047 13.569) 14.053 15.149 ( -5.998 -1.865 -17.456) 18.552 15.458 ( 12.368 1.620 13.094) 18.084 15.742 ( 16.322 -12.389 -11.068) 23.289 15.952 ( 9.366 -7.536 -1.154) 12.076 16.380 ( -10.028 0.070 -1.041) 10.082 16.422 ( -11.896 -1.350 -2.118) 12.158 17.075 ( 0.631 -1.150 4.928) 5.100 17.086 ( -1.703 -1.496 6.265) 6.662 17.467 ( 1.777 -3.152 -3.647) 5.138 17.526 ( -3.655 -4.467 -4.435) 7.279 ======================= Grid point 109 (57/108) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -11.316 8.272 2.353) 14.213 2.389 ( -2.002 -1.359 4.562) 5.164 2.556 ( 3.531 6.697 0.595) 7.594 2.680 ( 7.609 -0.637 4.149) 8.690 2.760 ( -6.372 3.118 -1.553) 7.262 2.825 ( -3.378 4.118 -1.960) 5.676 3.046 ( 2.822 13.516 1.167) 13.856 3.150 ( 8.767 9.427 -0.025) 12.873 3.777 ( -3.316 14.425 2.887) 15.080 3.982 ( -4.879 6.603 3.050) 8.759 4.035 ( -2.678 3.689 -2.092) 5.016 4.058 ( -18.792 2.811 -0.578) 19.010 4.142 ( -10.729 5.130 2.562) 12.165 4.302 ( 0.328 -0.830 2.433) 2.591 4.470 ( 1.396 -2.597 -0.545) 2.998 4.481 ( 2.430 -1.659 -9.215) 9.673 4.623 ( -3.354 -3.424 4.538) 6.601 4.695 ( -0.163 -3.350 1.340) 3.612 4.955 ( 0.682 5.798 -3.723) 6.924 5.072 ( -8.561 2.386 -0.048) 8.888 5.122 ( -0.504 1.104 -7.305) 7.405 5.259 ( -12.920 -3.231 -0.623) 13.333 5.383 ( 7.761 -0.395 -1.034) 7.839 5.475 ( 8.701 1.329 1.227) 8.887 5.571 ( 6.280 2.108 -2.983) 7.265 5.613 ( 6.747 0.987 2.037) 7.116 5.666 ( 2.516 1.134 -2.898) 4.002 5.742 ( 5.036 -1.105 -0.578) 5.188 5.815 ( 4.236 -4.005 0.750) 5.878 5.915 ( 4.074 -5.238 5.309) 8.498 6.166 ( 6.095 -3.580 3.732) 7.994 6.192 ( -0.730 2.776 -5.990) 6.642 6.240 ( 3.841 -4.871 1.205) 6.319 6.321 ( -1.439 -4.587 -5.760) 7.503 6.701 ( -0.628 1.459 -0.973) 1.863 6.751 ( -4.993 1.260 -3.343) 6.140 6.920 ( -8.205 2.658 3.799) 9.425 7.083 ( -3.224 -6.185 2.908) 7.557 7.154 ( 0.600 4.681 2.124) 5.175 7.301 ( -3.268 0.835 6.804) 7.594 7.377 ( 7.175 -0.804 0.426) 7.233 7.562 ( -5.461 0.353 -1.793) 5.758 7.642 ( -7.833 -3.355 -0.774) 8.557 7.769 ( -0.547 1.327 -3.700) 3.969 7.862 ( 7.657 2.532 -1.445) 8.193 8.057 ( 8.219 3.751 -5.251) 10.450 8.141 ( -6.462 -3.621 -0.688) 7.439 8.210 ( 4.201 -0.643 -3.208) 5.325 8.283 ( -2.589 -5.310 1.375) 6.066 8.393 ( -13.305 -8.450 7.398) 17.412 8.642 ( 5.640 -1.121 0.138) 5.752 8.658 ( 0.140 3.052 2.866) 4.189 8.731 ( -0.765 -4.785 6.937) 8.462 8.856 ( 2.418 -4.360 -2.403) 5.534 9.141 ( -4.815 1.046 -1.884) 5.276 9.253 ( 1.840 5.376 -1.435) 5.861 9.300 ( -6.433 -1.599 0.866) 6.685 9.453 ( 5.707 0.764 1.240) 5.890 9.490 ( 6.586 0.701 2.417) 7.051 9.539 ( 0.114 -5.767 1.929) 6.082 9.748 ( -1.571 -2.931 -2.171) 3.971 9.815 ( -6.196 -7.161 0.449) 9.480 9.926 ( 6.686 0.347 -4.121) 7.862 10.092 ( 7.549 -5.677 -2.602) 9.797 10.435 ( -4.568 1.590 2.186) 5.308 10.565 ( -2.739 -3.073 -0.015) 4.116 10.730 ( 1.111 2.196 -2.259) 3.340 10.806 ( -1.239 3.678 -0.913) 3.987 10.888 ( -3.488 0.736 3.334) 4.881 10.987 ( -0.564 2.515 -0.971) 2.754 11.137 ( -2.452 -5.791 -1.850) 6.555 11.224 ( 0.702 -7.888 3.814) 8.790 11.356 ( -4.868 2.649 0.274) 5.549 11.467 ( 5.800 -0.764 -1.586) 6.062 11.662 ( 1.201 1.524 2.978) 3.554 11.829 ( 2.313 -3.515 2.475) 4.881 11.919 ( -0.978 2.265 -2.136) 3.263 12.000 ( 1.495 -0.616 -0.509) 1.695 12.060 ( 0.584 1.189 0.358) 1.372 12.162 ( -0.257 -1.001 -0.959) 1.410 12.276 ( -0.137 1.289 -2.175) 2.532 12.371 ( -0.166 -1.344 -4.228) 4.439 12.624 ( 1.610 -0.944 2.416) 3.053 12.647 ( 2.233 -1.971 1.800) 3.480 12.739 ( -5.303 5.309 -4.009) 8.508 12.902 ( 0.491 -0.785 -0.727) 1.177 13.031 ( 5.026 7.023 -9.372) 12.744 13.243 ( 5.224 -3.138 -11.411) 12.936 13.359 ( -3.492 1.738 2.945) 4.887 13.384 ( -4.409 4.058 4.106) 7.264 13.626 ( 0.145 0.731 0.255) 0.788 13.676 ( -2.420 -0.326 4.255) 4.906 13.842 ( 5.521 -0.375 0.523) 5.558 13.922 ( 3.539 -3.307 8.872) 10.108 14.078 ( -4.638 11.374 -2.183) 12.475 14.324 ( -1.996 9.003 6.677) 11.385 14.519 ( -1.323 -4.014 3.735) 5.640 14.683 ( -4.705 -4.456 6.795) 9.390 15.055 ( 4.149 13.461 -6.768) 15.627 15.713 ( 0.452 5.269 2.647) 5.914 15.931 ( 7.031 -19.361 0.924) 20.619 15.955 ( -8.431 -10.201 2.858) 13.539 16.212 ( 1.093 1.077 -9.265) 9.391 16.298 ( 2.790 -0.772 -4.766) 5.576 17.067 ( -3.478 -1.106 5.441) 6.552 17.103 ( -2.134 -2.816 5.709) 6.714 17.470 ( 0.099 -1.612 -3.841) 4.167 17.530 ( 7.747 -3.841 -4.071) 9.557 ======================= Grid point 110 (58/108) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -8.326 12.771 2.984) 15.535 2.293 ( -12.045 5.735 4.123) 13.963 2.378 ( -20.829 2.651 -3.469) 21.281 2.636 ( -7.816 -5.649 -0.277) 9.648 2.805 ( 8.037 5.089 0.530) 9.527 2.917 ( 9.993 0.648 2.905) 10.427 3.188 ( 9.434 12.387 1.386) 15.632 3.327 ( 7.743 8.289 -0.139) 11.344 3.539 ( -18.870 3.845 0.237) 19.259 3.631 ( -19.480 4.550 2.160) 20.121 3.815 ( -2.796 12.486 -2.317) 13.003 3.961 ( -7.877 4.616 1.266) 9.217 4.032 ( -3.685 9.091 -0.216) 9.812 4.351 ( 1.715 -2.085 2.471) 3.660 4.442 ( -5.889 -4.974 2.725) 8.176 4.495 ( 1.091 1.485 -3.982) 4.387 4.595 ( -2.608 -1.893 2.695) 4.201 4.653 ( 1.822 -1.271 -3.886) 4.476 4.915 ( -4.067 1.252 -3.650) 5.606 4.943 ( -1.932 5.639 3.074) 6.707 5.056 ( -6.440 1.042 0.109) 6.524 5.102 ( 1.074 -0.771 -4.841) 5.019 5.407 ( -2.033 2.678 0.316) 3.377 5.601 ( -0.443 -2.044 -0.393) 2.129 5.672 ( 0.149 3.197 -2.198) 3.882 5.738 ( 5.301 -0.701 0.606) 5.382 5.805 ( 12.747 3.634 0.497) 13.264 5.855 ( 7.322 -2.098 -0.673) 7.646 5.937 ( -0.294 -4.957 1.629) 5.226 6.063 ( 12.286 -3.182 -0.843) 12.719 6.191 ( 5.580 2.711 -2.286) 6.612 6.257 ( 1.693 -0.929 -1.042) 2.195 6.300 ( 0.237 -3.720 0.987) 3.856 6.354 ( 6.270 -6.126 -3.252) 9.350 6.643 ( -4.808 -0.653 -2.801) 5.602 6.674 ( 0.786 -0.418 -1.201) 1.495 6.804 ( -3.107 2.601 4.169) 5.813 6.978 ( -10.161 -7.304 -0.551) 12.526 7.127 ( -5.535 1.623 5.114) 7.708 7.225 ( -7.592 -3.334 2.801) 8.752 7.433 ( -3.824 1.514 -0.924) 4.215 7.487 ( 4.069 1.073 -0.330) 4.221 7.583 ( 0.900 -3.981 0.659) 4.135 7.730 ( 0.581 -4.709 -3.820) 6.091 7.945 ( -5.048 0.295 0.229) 5.062 8.009 ( 0.452 1.571 -1.799) 2.431 8.040 ( -9.897 3.751 2.443) 10.863 8.168 ( -10.235 -6.727 0.761) 12.271 8.241 ( 2.126 3.961 1.787) 4.838 8.315 ( 3.157 -6.573 -2.815) 7.816 8.675 ( -0.810 -4.317 -2.226) 4.924 8.729 ( 3.596 4.691 4.023) 7.149 8.784 ( -0.133 -3.211 4.547) 5.568 8.885 ( 0.396 -3.005 -5.190) 6.011 9.104 ( -0.366 1.100 3.456) 3.645 9.215 ( 3.579 -2.617 -1.032) 4.552 9.347 ( 6.563 0.613 1.960) 6.877 9.482 ( -0.560 -3.612 -2.587) 4.478 9.591 ( 5.610 -1.011 -0.894) 5.770 9.637 ( 3.945 6.250 1.936) 7.640 9.682 ( -4.924 -6.484 0.871) 8.188 9.782 ( 4.323 -3.641 3.119) 6.456 10.029 ( 5.744 3.092 -4.881) 8.148 10.212 ( 4.768 -4.842 -1.301) 6.919 10.368 ( -3.518 2.325 1.363) 4.432 10.519 ( -2.225 -3.244 -0.487) 3.964 10.701 ( -2.945 3.084 -2.411) 4.899 10.764 ( -3.875 0.783 1.473) 4.219 10.816 ( -3.957 1.843 3.477) 5.581 10.984 ( -1.581 -0.183 -0.155) 1.599 11.042 ( -3.657 -2.866 0.193) 4.650 11.171 ( -3.567 -2.146 0.860) 4.250 11.361 ( 0.066 0.714 3.437) 3.511 11.551 ( 4.095 -3.391 -3.382) 6.301 11.685 ( -2.489 0.503 3.379) 4.227 11.814 ( -3.714 -3.035 -2.429) 5.377 11.926 ( 2.858 1.061 0.295) 3.063 12.023 ( 0.998 -2.453 0.003) 2.648 12.075 ( 2.454 4.091 -2.126) 5.222 12.164 ( -0.888 -1.000 1.274) 1.848 12.279 ( 1.749 -1.005 -0.895) 2.207 12.363 ( 1.462 -3.667 -6.227) 7.373 12.544 ( -7.075 3.505 -0.723) 7.929 12.699 ( 3.118 -1.912 0.018) 3.658 12.753 ( 5.323 2.357 -0.586) 5.850 12.901 ( 0.232 -2.292 -2.070) 3.097 13.085 ( 4.280 6.835 -5.798) 9.932 13.271 ( 4.262 -2.675 -10.384) 11.539 13.329 ( -1.326 2.423 3.823) 4.717 13.336 ( -2.765 3.814 5.812) 7.482 13.655 ( 0.928 -1.780 0.771) 2.151 13.663 ( 0.563 -1.011 3.314) 3.510 13.872 ( -1.309 11.316 -2.587) 11.682 14.058 ( 3.341 1.892 4.466) 5.889 14.116 ( 7.016 0.801 10.620) 12.754 14.328 ( -1.350 5.119 5.090) 7.343 14.482 ( -0.884 -8.990 -3.655) 9.745 14.651 ( -3.097 -4.107 10.885) 12.039 15.098 ( 1.141 18.295 -7.929) 19.972 15.490 ( -15.728 -5.569 -6.339) 17.848 15.684 ( -12.130 -2.519 1.937) 12.539 16.213 ( 6.583 7.353 0.575) 9.886 16.259 ( 11.403 -20.537 -7.111) 24.543 16.359 ( 3.605 -1.187 -0.631) 3.847 17.010 ( -4.912 0.048 3.690) 6.144 17.084 ( -3.074 -3.358 7.901) 9.119 17.474 ( 2.397 1.478 -3.752) 4.691 17.706 ( 11.699 -8.003 -3.509) 14.602 ======================= Grid point 111 (59/108) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -18.747 8.605 1.328) 20.670 1.881 ( -21.267 5.201 -3.973) 22.251 2.030 ( -11.568 9.742 7.873) 17.050 2.568 ( 0.678 -10.529 -2.382) 10.816 2.956 ( 6.550 8.703 2.351) 11.144 3.071 ( 1.901 3.777 2.496) 4.910 3.228 ( -6.327 7.156 1.440) 9.660 3.324 ( -2.944 3.338 -2.410) 5.061 3.439 ( 4.806 10.002 5.273) 12.286 3.569 ( 10.719 4.264 -3.213) 11.975 3.739 ( -5.271 10.604 -1.650) 11.956 3.852 ( -5.016 7.319 -1.798) 9.053 3.916 ( -1.993 1.124 0.397) 2.322 4.244 ( -14.209 -4.324 3.992) 15.379 4.388 ( -5.249 -0.887 0.456) 5.343 4.420 ( -0.405 -1.020 0.106) 1.103 4.667 ( 8.035 4.241 -0.313) 9.091 4.746 ( 8.827 3.641 -5.981) 11.267 4.868 ( -1.098 4.660 0.795) 4.854 4.959 ( 0.175 3.081 3.333) 4.542 4.990 ( -1.244 4.250 0.789) 4.498 5.072 ( -1.170 3.997 -5.225) 6.681 5.346 ( -4.798 2.277 2.717) 5.965 5.531 ( -7.412 0.553 3.262) 8.117 5.640 ( 2.058 -1.835 -5.796) 6.418 5.837 ( 3.502 -0.730 0.428) 3.603 5.853 ( -2.235 -6.298 0.502) 6.702 5.929 ( 0.888 1.104 1.549) 2.099 6.051 ( 6.417 4.456 -1.124) 7.893 6.205 ( -1.483 -3.055 0.519) 3.435 6.222 ( 2.906 -4.568 -2.059) 5.792 6.277 ( 2.178 2.330 -1.517) 3.532 6.413 ( 8.244 0.067 -1.075) 8.314 6.429 ( 3.322 -7.432 -4.740) 9.421 6.518 ( -4.900 -5.926 -3.134) 8.304 6.668 ( -4.896 -10.810 0.729) 11.889 6.801 ( -1.915 1.908 5.171) 5.835 6.830 ( 0.389 1.576 0.240) 1.641 7.048 ( -3.634 -1.966 1.514) 4.400 7.106 ( -5.370 -3.914 0.686) 6.680 7.392 ( 1.680 -0.955 -0.640) 2.036 7.551 ( -1.824 -3.148 0.470) 3.668 7.653 ( 7.951 1.389 1.977) 8.310 7.735 ( -1.351 0.322 -2.840) 3.162 7.826 ( -9.006 -0.720 2.752) 9.444 7.852 ( -1.359 -7.200 2.071) 7.614 7.960 ( -6.240 0.784 -0.495) 6.308 8.036 ( -4.996 2.067 1.528) 5.619 8.315 ( 3.083 4.913 1.043) 5.893 8.344 ( 1.897 -4.761 -3.410) 6.156 8.618 ( -3.044 -6.524 -4.040) 8.255 8.709 ( -5.182 -5.643 -3.323) 8.351 8.770 ( 0.498 1.135 4.371) 4.543 8.895 ( 0.133 -5.612 3.966) 6.874 9.184 ( 5.458 5.972 -0.542) 8.108 9.317 ( 3.658 2.023 -0.026) 4.180 9.486 ( 5.923 -1.487 0.412) 6.121 9.504 ( 4.668 -1.562 -2.189) 5.387 9.554 ( -3.956 -0.455 -1.502) 4.256 9.699 ( 5.092 -3.149 0.119) 5.988 9.772 ( 5.042 6.901 1.744) 8.723 9.926 ( 7.086 -0.291 5.602) 9.037 10.082 ( 2.683 0.893 -2.047) 3.491 10.210 ( -4.474 -3.279 -3.348) 6.479 10.333 ( -1.648 2.383 3.854) 4.822 10.447 ( -4.417 -0.660 -1.579) 4.737 10.628 ( -2.677 0.383 -2.476) 3.667 10.691 ( -1.994 -0.257 3.575) 4.102 10.788 ( -2.229 -0.533 1.714) 2.862 10.875 ( -6.395 -3.403 0.613) 7.270 11.084 ( 4.267 2.915 0.642) 5.208 11.163 ( 3.196 1.944 -0.726) 3.811 11.350 ( -3.105 -0.193 3.038) 4.349 11.530 ( -4.933 -0.871 -3.530) 6.129 11.630 ( -4.991 -2.403 6.236) 8.341 11.739 ( -1.356 -5.075 -1.622) 5.498 11.971 ( 1.754 0.326 -2.216) 2.845 12.023 ( -1.323 -0.023 -0.901) 1.601 12.109 ( 0.242 -2.670 1.029) 2.871 12.165 ( 3.644 0.131 -3.078) 4.772 12.313 ( 0.973 -0.858 -0.752) 1.500 12.344 ( 1.187 -5.452 -5.377) 7.749 12.448 ( -2.144 6.507 -1.027) 6.928 12.758 ( 1.787 -5.056 0.565) 5.393 12.839 ( 3.586 2.569 -2.135) 4.901 12.909 ( 1.909 -0.219 -0.234) 1.935 13.121 ( 2.355 5.608 -1.624) 6.296 13.282 ( 1.604 -1.716 -2.912) 3.742 13.323 ( 0.553 4.141 2.486) 4.861 13.404 ( 3.602 3.870 5.911) 7.931 13.650 ( -1.481 -1.053 3.350) 3.812 13.747 ( 5.160 -1.795 -1.465) 5.656 13.801 ( -4.083 14.238 -2.049) 14.953 14.145 ( 1.049 1.765 4.158) 4.637 14.244 ( -2.873 8.767 8.649) 12.646 14.371 ( 4.665 -6.992 5.506) 10.048 14.471 ( 1.760 -9.547 -3.435) 10.298 14.720 ( 4.338 -6.612 7.788) 11.100 14.980 ( -6.065 9.354 -5.965) 12.644 15.139 ( -15.491 -5.696 -5.118) 17.280 15.542 ( -3.345 9.109 -5.107) 10.965 16.185 ( 1.139 -2.372 -20.691) 20.858 16.401 ( 1.086 0.647 5.409) 5.555 16.491 ( 6.867 -10.726 4.785) 13.605 16.945 ( -3.387 2.059 3.481) 5.275 17.104 ( -0.966 -5.523 12.410) 13.618 17.502 ( 2.560 3.917 -4.250) 6.321 17.891 ( 8.683 -12.235 -4.397) 15.634 ======================= Grid point 112 (60/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.066 -3.586 -2.175) 4.195 1.583 ( 0.066 3.586 -2.175) 4.195 2.312 ( 0.059 -14.077 4.403) 14.750 2.312 ( 0.059 14.077 4.403) 14.750 3.136 ( -1.085 -2.224 0.016) 2.475 3.136 ( -1.085 2.224 0.016) 2.475 3.294 ( 1.314 -4.268 2.924) 5.338 3.294 ( 1.314 4.268 2.924) 5.338 3.679 ( -2.783 -5.085 -2.978) 6.516 3.679 ( -2.783 5.085 -2.978) 6.516 3.793 ( -2.780 -5.850 0.995) 6.553 3.793 ( -2.780 5.850 0.995) 6.553 3.962 ( 3.790 -5.016 0.445) 6.302 3.962 ( 3.790 5.016 0.445) 6.302 4.394 ( -0.038 -4.250 1.151) 4.403 4.394 ( -0.038 4.250 1.151) 4.403 4.885 ( 4.054 -1.431 -4.380) 6.137 4.885 ( 4.054 1.431 -4.380) 6.137 4.944 ( -3.316 -1.519 1.184) 3.835 4.944 ( -3.316 1.519 1.184) 3.835 5.100 ( 4.428 -2.971 -3.633) 6.452 5.100 ( 4.428 2.971 -3.633) 6.452 5.321 ( -6.460 -4.693 4.895) 9.365 5.321 ( -6.460 4.693 4.895) 9.365 5.728 ( 3.975 -4.570 1.181) 6.171 5.728 ( 3.975 4.570 1.181) 6.171 5.924 ( -0.349 -1.016 -1.594) 1.922 5.924 ( -0.349 1.016 -1.594) 1.922 6.154 ( -0.221 -2.913 -2.497) 3.843 6.154 ( -0.221 2.913 -2.497) 3.843 6.215 ( -3.042 -3.851 -2.060) 5.322 6.215 ( -3.042 3.851 -2.060) 5.322 6.347 ( 5.508 -1.035 -3.650) 6.688 6.347 ( 5.508 1.035 -3.650) 6.688 6.538 ( 0.296 -2.383 2.571) 3.518 6.538 ( 0.296 2.383 2.571) 3.518 6.842 ( -3.846 -4.395 3.852) 6.996 6.842 ( -3.846 4.395 3.852) 6.996 6.981 ( 0.102 -0.288 -0.157) 0.343 6.981 ( 0.102 0.288 -0.157) 0.343 7.409 ( -1.747 -1.488 1.000) 2.503 7.409 ( -1.747 1.488 1.000) 2.503 7.688 ( 0.395 -1.868 -1.691) 2.550 7.688 ( 0.395 1.868 -1.691) 2.550 7.880 ( -1.172 -0.912 2.587) 2.983 7.880 ( -1.172 0.912 2.587) 2.983 7.953 ( 4.795 -2.090 3.615) 6.358 7.953 ( 4.795 2.090 3.615) 6.358 8.372 ( -0.393 -3.452 -4.147) 5.410 8.372 ( -0.394 3.452 -4.147) 5.410 8.463 ( -1.816 -4.273 -3.988) 6.120 8.463 ( -1.816 4.273 -3.988) 6.120 8.837 ( 0.497 -2.231 5.642) 6.087 8.837 ( 0.497 2.231 5.642) 6.087 9.338 ( -1.764 -3.379 -3.386) 5.098 9.338 ( -1.764 3.379 -3.386) 5.098 9.514 ( 2.731 -5.109 -1.774) 6.059 9.514 ( 2.731 5.109 -1.774) 6.059 9.695 ( 1.905 -5.373 4.011) 6.970 9.695 ( 1.905 5.373 4.011) 6.970 9.904 ( -8.420 -5.742 -2.317) 10.452 9.904 ( -8.420 5.742 -2.317) 10.452 10.149 ( 4.337 -0.949 3.536) 5.675 10.149 ( 4.337 0.949 3.536) 5.675 10.368 ( 1.240 -3.094 -2.456) 4.140 10.368 ( 1.240 3.094 -2.456) 4.140 10.635 ( -0.688 -3.539 2.726) 4.520 10.635 ( -0.688 3.539 2.726) 4.520 10.781 ( 1.166 -1.370 -0.028) 1.799 10.781 ( 1.166 1.370 -0.028) 1.799 11.214 ( 0.413 -3.191 1.552) 3.572 11.214 ( 0.413 3.191 1.552) 3.572 11.352 ( -3.202 -4.528 -2.514) 6.089 11.352 ( -3.202 4.528 -2.514) 6.089 11.606 ( -0.588 -4.897 4.144) 6.442 11.606 ( -0.588 4.897 4.144) 6.442 11.967 ( 0.709 -2.184 0.231) 2.308 11.967 ( 0.709 2.184 0.231) 2.308 12.194 ( 3.566 -5.626 -4.732) 8.171 12.194 ( 3.566 5.626 -4.732) 8.171 12.290 ( -0.305 -3.070 -1.299) 3.348 12.290 ( -0.305 3.070 -1.299) 3.348 12.574 ( -1.558 -8.514 -1.427) 8.773 12.574 ( -1.558 8.514 -1.427) 8.773 12.945 ( 2.341 -1.773 -1.133) 3.148 12.945 ( 2.341 1.773 -1.133) 3.148 13.258 ( 2.489 -3.808 2.988) 5.443 13.258 ( 2.489 3.808 2.988) 5.443 13.470 ( 0.063 -4.860 5.316) 7.203 13.470 ( 0.063 4.860 5.316) 7.203 13.734 ( -0.658 -6.648 1.772) 6.912 13.734 ( -0.658 6.648 1.772) 6.912 14.003 ( -1.428 -11.743 -0.703) 11.850 14.003 ( -1.428 11.743 -0.703) 11.850 14.280 ( -6.917 -6.857 -2.004) 9.943 14.280 ( -6.917 6.857 -2.004) 9.943 14.512 ( 0.775 -8.068 3.830) 8.965 14.512 ( 0.775 8.068 3.830) 8.965 15.014 ( 4.370 -1.576 3.016) 5.539 15.014 ( 4.370 1.576 3.016) 5.539 15.772 ( -2.674 -18.052 -20.725) 27.615 15.772 ( -2.674 18.052 -20.725) 27.615 16.501 ( 2.537 -3.011 6.190) 7.336 16.501 ( 2.537 3.011 6.190) 7.336 17.033 ( -1.528 -6.226 10.524) 12.323 17.033 ( -1.528 6.226 10.524) 12.323 17.686 ( 0.722 -12.062 -6.188) 13.576 17.686 ( 0.722 12.062 -6.188) 13.576 ======================= Grid point 114 (61/108) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 22.342 -2.803 -2.316) 22.636 1.837 ( 22.342 2.803 -2.316) 22.636 2.359 ( 3.141 -9.214 4.562) 10.750 2.359 ( 3.141 9.214 4.562) 10.750 3.076 ( -7.911 -1.987 2.148) 8.434 3.076 ( -7.911 1.987 2.148) 8.434 3.327 ( 4.401 -1.650 -0.566) 4.734 3.327 ( 4.401 1.650 -0.566) 4.734 3.529 ( -8.022 -8.575 -0.203) 11.745 3.529 ( -8.022 8.575 -0.203) 11.745 3.858 ( 7.209 -4.669 0.478) 8.602 3.858 ( 7.209 4.669 0.478) 8.602 4.076 ( 4.825 -2.850 -2.150) 6.002 4.076 ( 4.825 2.850 -2.150) 6.002 4.433 ( 4.159 -1.152 2.901) 5.200 4.433 ( 4.159 1.152 2.901) 5.200 4.816 ( -6.617 -3.601 -1.063) 7.608 4.816 ( -6.617 3.601 -1.063) 7.608 4.903 ( 0.123 -2.650 -3.088) 4.071 4.903 ( 0.123 2.650 -3.088) 4.071 5.144 ( -0.694 -2.757 1.447) 3.190 5.144 ( -0.694 2.757 1.447) 3.190 5.346 ( 6.461 -2.405 0.466) 6.910 5.346 ( 6.461 2.405 0.466) 6.910 5.757 ( -1.291 -7.023 -1.428) 7.282 5.757 ( -1.291 7.023 -1.428) 7.282 5.934 ( 0.319 -2.718 3.660) 4.570 5.934 ( 0.319 2.718 3.660) 4.570 6.065 ( -4.669 -5.168 -4.716) 8.412 6.065 ( -4.669 5.168 -4.716) 8.412 6.223 ( 1.351 -4.883 -3.099) 5.940 6.223 ( 1.351 4.883 -3.099) 5.940 6.429 ( -0.959 -1.735 -2.196) 2.959 6.429 ( -0.959 1.735 -2.196) 2.959 6.533 ( 3.112 -2.953 0.399) 4.309 6.533 ( 3.112 2.953 0.399) 4.309 6.769 ( -1.967 -7.308 4.799) 8.961 6.769 ( -1.967 7.308 4.799) 8.961 7.068 ( 5.953 -0.599 1.180) 6.099 7.068 ( 5.953 0.599 1.180) 6.099 7.392 ( 1.401 -3.226 -0.441) 3.545 7.392 ( 1.401 3.226 -0.441) 3.545 7.658 ( -4.718 -0.671 -1.332) 4.948 7.658 ( -4.718 0.671 -1.332) 4.948 7.888 ( 3.552 -5.014 5.009) 7.928 7.888 ( 3.552 5.014 5.009) 7.928 8.141 ( 6.796 -3.865 2.621) 8.245 8.141 ( 6.796 3.865 2.621) 8.245 8.290 ( -1.226 -7.017 -4.783) 8.580 8.290 ( -1.226 7.017 -4.783) 8.580 8.461 ( 1.701 -5.721 -3.080) 6.716 8.461 ( 1.701 5.721 -3.080) 6.716 8.895 ( 2.750 -0.757 3.904) 4.835 8.895 ( 2.750 0.757 3.904) 4.835 9.247 ( -5.677 -2.678 -1.929) 6.566 9.247 ( -5.677 2.678 -1.929) 6.566 9.515 ( -2.480 -7.210 -0.382) 7.634 9.515 ( -2.480 7.210 -0.382) 7.634 9.668 ( -9.140 -1.771 0.192) 9.312 9.668 ( -9.140 1.771 0.192) 9.312 9.733 ( -2.724 -3.106 1.174) 4.295 9.733 ( -2.724 3.106 1.174) 4.295 10.163 ( -3.115 -0.601 -0.620) 3.233 10.163 ( -3.115 0.601 -0.620) 3.233 10.473 ( 8.034 -3.129 0.117) 8.622 10.473 ( 8.034 3.129 0.117) 8.622 10.631 ( -0.065 -2.713 0.794) 2.827 10.631 ( -0.065 2.713 0.794) 2.827 10.870 ( 5.686 -2.561 3.095) 6.962 10.870 ( 5.686 2.561 3.095) 6.962 11.169 ( -4.111 -3.258 0.250) 5.251 11.169 ( -4.111 3.258 0.250) 5.251 11.308 ( -0.123 -4.836 -2.287) 5.351 11.308 ( -0.123 4.836 -2.287) 5.351 11.670 ( 4.294 -4.873 2.212) 6.861 11.670 ( 4.294 4.873 2.212) 6.861 11.996 ( 0.776 -3.465 1.129) 3.726 11.996 ( 0.776 3.465 1.129) 3.726 12.194 ( -1.985 -2.879 -3.396) 4.875 12.194 ( -1.985 2.879 -3.396) 4.875 12.282 ( 2.465 -0.843 -3.381) 4.269 12.282 ( 2.465 0.843 -3.381) 4.269 12.547 ( -0.813 -5.755 0.716) 5.856 12.547 ( -0.813 5.755 0.716) 5.856 12.965 ( 1.098 -2.587 -2.641) 3.857 12.965 ( 1.098 2.587 -2.641) 3.857 13.320 ( -0.775 -2.606 5.257) 5.919 13.320 ( -0.775 2.606 5.257) 5.919 13.455 ( -2.229 -0.894 -1.801) 3.002 13.455 ( -2.229 0.894 -1.801) 3.002 13.672 ( -4.539 -7.733 5.259) 10.395 13.672 ( -4.539 7.733 5.259) 10.395 14.004 ( -2.548 -4.591 -6.022) 7.990 14.004 ( -2.548 4.591 -6.022) 7.990 14.154 ( -1.437 -2.384 7.146) 7.669 14.154 ( -1.437 2.384 7.146) 7.669 14.564 ( 1.376 -6.039 6.706) 9.129 14.564 ( 1.376 6.039 6.706) 9.129 15.199 ( 11.772 -3.842 -1.748) 12.506 15.199 ( 11.772 3.842 -1.748) 12.506 15.569 ( -5.125 -15.434 -17.776) 24.092 15.569 ( -5.125 15.434 -17.776) 24.092 16.575 ( 1.551 -3.156 3.554) 4.999 16.575 ( 1.551 3.156 3.554) 4.999 17.058 ( -2.700 -5.965 10.497) 12.371 17.058 ( -2.700 5.965 10.497) 12.371 17.617 ( -3.289 -10.503 -6.665) 12.866 17.617 ( -3.289 10.503 -6.665) 12.866 ======================= Grid point 116 (62/108) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 9.831 -4.285 0.767) 10.752 2.169 ( 9.831 4.285 0.767) 10.752 2.550 ( 13.043 -1.014 1.829) 13.209 2.550 ( 13.043 1.014 1.829) 13.209 2.871 ( -11.407 -4.232 1.320) 12.239 2.871 ( -11.407 4.232 1.320) 12.239 3.349 ( -8.041 -7.243 0.679) 10.843 3.349 ( -8.041 7.243 0.679) 10.843 3.582 ( 18.784 -3.199 0.036) 19.054 3.582 ( 18.784 3.199 0.036) 19.054 3.986 ( 4.809 -6.318 -1.139) 8.021 3.986 ( 4.809 6.318 -1.139) 8.021 4.135 ( 4.237 -7.036 -1.088) 8.285 4.135 ( 4.237 7.036 -1.088) 8.285 4.560 ( 3.949 -6.190 2.264) 7.684 4.560 ( 3.949 6.190 2.264) 7.684 4.689 ( -6.431 -6.099 2.739) 9.277 4.689 ( -6.431 6.099 2.739) 9.277 4.917 ( 5.860 -1.801 -6.347) 8.824 4.917 ( 5.860 1.801 -6.347) 8.824 5.180 ( 3.713 -2.607 2.931) 5.401 5.180 ( 3.713 2.607 2.931) 5.401 5.418 ( 0.414 -5.899 -3.310) 6.777 5.418 ( 0.414 5.899 -3.310) 6.777 5.727 ( -1.499 -4.831 0.168) 5.061 5.727 ( -1.499 4.831 0.168) 5.061 5.874 ( -9.141 -1.978 1.641) 9.496 5.874 ( -9.141 1.978 1.641) 9.496 5.977 ( -4.743 -5.253 0.998) 7.147 5.977 ( -4.743 5.253 0.998) 7.147 6.094 ( -9.193 -3.214 -3.637) 10.396 6.094 ( -9.193 3.214 -3.637) 10.396 6.358 ( -1.297 -4.398 -3.495) 5.765 6.358 ( -1.297 4.398 -3.495) 5.765 6.639 ( 6.065 -2.535 -1.135) 6.671 6.639 ( 6.065 2.535 -1.135) 6.671 6.885 ( 8.222 -5.649 3.493) 10.570 6.885 ( 8.222 5.649 3.493) 10.570 7.171 ( 2.371 -1.945 5.434) 6.240 7.171 ( 2.371 1.945 5.434) 6.240 7.461 ( 3.816 -3.921 -3.372) 6.427 7.461 ( 3.816 3.921 -3.372) 6.427 7.581 ( 1.571 -1.120 -0.596) 2.019 7.581 ( 1.571 1.120 -0.596) 2.019 7.973 ( 1.263 -6.061 2.334) 6.617 7.973 ( 1.263 6.061 2.334) 6.617 8.137 ( -3.019 -5.579 -1.669) 6.559 8.137 ( -3.019 5.579 -1.669) 6.559 8.370 ( 4.135 -2.996 1.877) 5.440 8.370 ( 4.135 2.996 1.877) 5.440 8.481 ( 3.590 -4.624 -1.787) 6.121 8.481 ( 3.590 4.624 -1.787) 6.121 8.961 ( -1.573 -2.562 -0.071) 3.007 8.961 ( -1.573 2.562 -0.071) 3.007 9.133 ( -2.071 -4.919 3.381) 6.318 9.133 ( -2.071 4.919 3.381) 6.318 9.417 ( -6.166 -2.723 -0.464) 6.756 9.417 ( -6.166 2.723 -0.464) 6.756 9.536 ( -2.784 -4.315 -0.569) 5.167 9.536 ( -2.784 4.315 -0.569) 5.167 9.718 ( -0.427 -3.126 1.149) 3.358 9.718 ( -0.427 3.126 1.149) 3.358 10.066 ( -5.413 -2.224 -3.060) 6.603 10.066 ( -5.413 2.224 -3.060) 6.603 10.584 ( 0.846 -2.577 3.411) 4.358 10.584 ( 0.846 2.577 3.411) 4.358 10.668 ( 4.999 -3.027 -2.995) 6.566 10.668 ( 4.999 3.027 -2.995) 6.566 10.987 ( 3.279 -3.280 5.065) 6.868 10.987 ( 3.279 3.280 5.065) 6.868 11.090 ( -3.484 -6.606 -0.933) 7.526 11.090 ( -3.484 6.606 -0.933) 7.526 11.335 ( 4.524 -5.859 -2.693) 7.877 11.335 ( 4.524 5.859 -2.693) 7.877 11.748 ( 1.110 -4.264 2.044) 4.857 11.748 ( 1.110 4.264 2.044) 4.857 11.974 ( -2.813 -2.499 0.277) 3.772 11.974 ( -2.813 2.499 0.277) 3.772 12.130 ( -1.211 -3.149 -3.606) 4.938 12.130 ( -1.211 3.149 -3.606) 4.938 12.330 ( 3.419 -2.697 -2.692) 5.119 12.330 ( 3.419 2.697 -2.692) 5.119 12.548 ( -0.378 -2.835 3.138) 4.246 12.548 ( -0.378 2.835 3.138) 4.246 12.964 ( 1.002 -4.224 -4.580) 6.311 12.964 ( 1.002 4.224 -4.580) 6.311 13.222 ( -6.033 -2.187 -5.644) 8.546 13.222 ( -6.033 2.187 -5.644) 8.546 13.452 ( 0.100 -3.094 3.530) 4.695 13.452 ( 0.100 3.094 3.530) 4.695 13.656 ( -1.384 -7.260 5.460) 9.188 13.656 ( -1.384 7.260 5.460) 9.188 13.861 ( -6.197 -0.981 -2.548) 6.771 13.861 ( -6.197 0.981 -2.548) 6.771 14.264 ( 2.785 -2.737 12.840) 13.420 14.264 ( 2.785 2.737 12.840) 13.420 14.643 ( 2.268 -6.070 5.673) 8.613 14.643 ( 2.268 6.070 5.673) 8.613 15.252 ( -1.109 -6.046 -18.350) 19.352 15.252 ( -1.109 6.046 -18.350) 19.352 15.554 ( 11.115 -10.392 -0.017) 15.216 15.554 ( 11.115 10.392 -0.017) 15.216 16.567 ( -5.004 -2.652 1.460) 5.848 16.567 ( -5.004 2.652 1.460) 5.848 17.059 ( -2.329 -2.797 7.690) 8.508 17.059 ( -2.329 2.797 7.690) 8.508 17.513 ( -2.919 -6.195 -5.565) 8.824 17.513 ( -2.919 6.195 -5.565) 8.824 ======================= Grid point 118 (63/108) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 3.090 -2.519 3.108) 5.055 2.300 ( 3.090 2.519 3.108) 5.055 2.603 ( -5.526 -1.108 1.449) 5.820 2.603 ( -5.526 1.108 1.449) 5.820 2.862 ( 6.753 -3.720 -0.084) 7.710 2.862 ( 6.752 3.720 -0.084) 7.710 3.204 ( -5.821 -5.033 1.820) 7.908 3.204 ( -5.821 5.033 1.820) 7.908 3.960 ( 12.162 -2.278 0.602) 12.388 3.960 ( 12.162 2.278 0.602) 12.388 4.054 ( 5.778 -5.092 -2.095) 7.982 4.054 ( 5.778 5.092 -2.095) 7.982 4.244 ( 7.077 -3.361 0.184) 7.837 4.244 ( 7.077 3.361 0.184) 7.837 4.508 ( -8.285 -8.503 0.664) 11.890 4.508 ( -8.285 8.503 0.664) 11.890 4.639 ( -1.349 -1.743 2.144) 3.075 4.639 ( -1.349 1.743 2.144) 3.075 5.048 ( 8.098 -6.263 -6.885) 12.337 5.048 ( 8.098 6.263 -6.885) 12.337 5.275 ( 1.952 -4.732 1.310) 5.283 5.275 ( 1.951 4.732 1.310) 5.283 5.366 ( -2.213 -4.250 -2.675) 5.488 5.366 ( -2.213 4.250 -2.675) 5.488 5.621 ( -7.016 -3.285 -0.611) 7.770 5.621 ( -7.016 3.285 -0.611) 7.770 5.721 ( -3.773 -2.005 2.951) 5.193 5.721 ( -3.773 2.005 2.951) 5.193 5.800 ( -8.526 -3.283 -1.224) 9.218 5.800 ( -8.526 3.283 -1.224) 9.218 6.059 ( 3.195 -2.568 1.967) 4.547 6.059 ( 3.195 2.568 1.967) 4.547 6.312 ( -1.367 -3.682 -5.751) 6.964 6.312 ( -1.367 3.682 -5.751) 6.964 6.740 ( 3.939 -3.283 -1.487) 5.339 6.740 ( 3.939 3.283 -1.487) 5.339 7.006 ( 1.089 -2.829 4.687) 5.582 7.006 ( 1.089 2.829 4.687) 5.582 7.218 ( -0.157 -3.663 3.613) 5.147 7.218 ( -0.157 3.663 3.613) 5.147 7.476 ( 1.235 -7.852 -0.245) 7.952 7.476 ( 1.235 7.852 -0.245) 7.952 7.721 ( 8.544 -2.782 -1.799) 9.164 7.721 ( 8.544 2.782 -1.799) 9.164 7.963 ( -3.096 -0.917 -1.840) 3.716 7.963 ( -3.096 0.917 -1.840) 3.716 8.082 ( 1.881 -5.578 -4.015) 7.125 8.082 ( 1.881 5.578 -4.015) 7.125 8.378 ( -3.418 -4.595 4.102) 7.045 8.378 ( -3.418 4.595 4.102) 7.045 8.591 ( 4.633 -2.853 2.734) 6.089 8.591 ( 4.633 2.853 2.734) 6.089 8.799 ( -9.857 -6.593 2.377) 12.095 8.799 ( -9.857 6.593 2.377) 12.095 9.248 ( 4.731 -3.058 3.007) 6.385 9.248 ( 4.731 3.058 3.007) 6.385 9.320 ( -0.348 -1.031 -2.586) 2.805 9.320 ( -0.348 1.031 -2.586) 2.805 9.511 ( -1.849 -2.962 0.283) 3.503 9.511 ( -1.849 2.962 0.283) 3.504 9.742 ( 2.323 -0.824 0.500) 2.515 9.742 ( 2.323 0.824 0.500) 2.515 9.942 ( -3.445 -4.294 -4.200) 6.924 9.942 ( -3.445 4.294 -4.200) 6.924 10.561 ( -4.058 -3.089 2.539) 5.697 10.561 ( -4.058 3.089 2.539) 5.697 10.751 ( 4.240 -3.855 -2.208) 6.141 10.751 ( 4.240 3.855 -2.208) 6.141 11.023 ( -0.683 -4.745 -2.212) 5.280 11.023 ( -0.683 4.745 -2.212) 5.280 11.072 ( 1.350 -2.851 2.435) 3.984 11.072 ( 1.350 2.851 2.435) 3.984 11.405 ( 2.016 -3.492 0.290) 4.043 11.405 ( 2.016 3.492 0.290) 4.043 11.727 ( -2.505 -4.609 2.234) 5.701 11.727 ( -2.505 4.609 2.234) 5.701 11.955 ( 0.781 -1.136 -0.616) 1.510 11.955 ( 0.781 1.136 -0.616) 1.510 12.107 ( 0.682 -4.160 -2.775) 5.047 12.107 ( 0.682 4.160 -2.775) 5.047 12.353 ( 0.042 -3.219 -1.723) 3.651 12.353 ( 0.042 3.219 -1.723) 3.651 12.573 ( 0.972 -0.862 3.491) 3.725 12.573 ( 0.972 0.862 3.491) 3.725 12.927 ( -2.920 -4.174 -3.267) 6.051 12.927 ( -2.920 4.174 -3.267) 6.051 13.129 ( 2.675 -4.861 -11.231) 12.527 13.129 ( 2.675 4.861 -11.231) 12.527 13.452 ( -2.598 -2.656 3.541) 5.132 13.452 ( -2.598 2.656 3.541) 5.132 13.663 ( -1.189 -4.197 3.917) 5.863 13.663 ( -1.189 4.197 3.917) 5.863 13.781 ( -1.211 -2.765 2.429) 3.874 13.781 ( -1.211 2.765 2.429) 3.874 14.359 ( -1.858 -7.240 13.958) 15.833 14.359 ( -1.858 7.240 13.958) 15.833 14.638 ( -3.892 -6.331 -5.561) 9.282 14.638 ( -3.892 6.331 -5.561) 9.282 15.232 ( 8.647 -12.886 -3.362) 15.878 15.232 ( 8.647 12.886 -3.362) 15.878 15.781 ( 9.861 -8.371 -0.989) 12.973 15.781 ( 9.861 8.371 -0.989) 12.973 16.399 ( -10.473 -1.281 -2.121) 10.762 16.399 ( -10.473 1.281 -2.121) 10.762 17.068 ( -1.158 -0.398 5.727) 5.856 17.068 ( -1.158 0.398 5.727) 5.856 17.455 ( 0.107 -1.908 -4.229) 4.641 17.455 ( 0.107 1.908 -4.229) 4.641 ======================= Grid point 120 (64/108) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -5.686 -7.610 2.733) 9.885 2.278 ( -5.686 7.610 2.733) 9.885 2.642 ( 6.906 -2.601 2.413) 7.764 2.642 ( 6.906 2.601 2.413) 7.764 2.841 ( -7.913 -2.752 -0.955) 8.433 2.841 ( -7.913 2.752 -0.955) 8.433 3.232 ( 6.207 -2.883 2.585) 7.316 3.232 ( 6.207 2.883 2.585) 7.316 3.953 ( -11.224 -4.911 0.268) 12.254 3.953 ( -11.224 4.911 0.268) 12.254 4.144 ( 0.462 -2.375 0.892) 2.579 4.144 ( 0.462 2.375 0.892) 2.579 4.244 ( -9.937 -5.549 -0.719) 11.404 4.244 ( -9.937 5.549 -0.719) 11.404 4.407 ( 3.330 -1.382 -1.829) 4.042 4.407 ( 3.330 1.382 -1.829) 4.042 4.632 ( -1.739 -2.502 2.544) 3.970 4.632 ( -1.739 2.502 2.544) 3.970 5.067 ( -1.011 -4.124 -7.028) 8.211 5.067 ( -1.011 4.124 -7.028) 8.211 5.171 ( -8.757 -4.649 -0.736) 9.942 5.171 ( -8.757 4.649 -0.736) 9.942 5.423 ( 7.890 -3.672 -1.037) 8.764 5.423 ( 7.890 3.672 -1.037) 8.764 5.643 ( 7.090 -1.222 -3.309) 7.919 5.643 ( 7.090 1.222 -3.309) 7.919 5.700 ( 3.963 -2.726 0.969) 4.906 5.700 ( 3.963 2.726 0.969) 4.907 5.796 ( 3.344 -4.578 5.167) 7.670 5.796 ( 3.344 4.578 5.167) 7.670 6.158 ( 4.653 -2.576 3.367) 6.294 6.158 ( 4.653 2.576 3.367) 6.294 6.247 ( 0.086 -2.856 -8.089) 8.579 6.247 ( 0.086 2.856 -8.089) 8.579 6.730 ( -3.412 -1.728 -1.789) 4.222 6.730 ( -3.412 1.728 -1.789) 4.222 6.990 ( -5.028 -3.584 4.369) 7.564 6.990 ( -5.028 3.584 4.369) 7.564 7.258 ( 0.234 -4.133 4.210) 5.905 7.258 ( 0.234 4.133 4.210) 5.905 7.467 ( -1.351 -7.256 -0.311) 7.388 7.467 ( -1.351 7.256 -0.311) 7.388 7.691 ( -8.382 -5.972 -2.333) 10.553 7.691 ( -8.382 5.972 -2.333) 10.553 7.994 ( 8.077 -8.126 -1.920) 11.617 7.994 ( 8.077 8.126 -1.920) 11.617 8.149 ( 3.333 -4.218 -6.679) 8.574 8.149 ( 3.333 4.218 -6.679) 8.574 8.278 ( -8.869 -2.351 6.839) 11.444 8.278 ( -8.869 2.351 6.839) 11.444 8.650 ( -0.368 -2.238 6.292) 6.688 8.650 ( -0.368 2.238 6.292) 6.688 8.752 ( 4.709 -5.512 -1.563) 7.416 8.752 ( 4.709 5.512 -1.563) 7.416 9.194 ( -5.227 -4.268 0.658) 6.781 9.194 ( -5.227 4.268 0.658) 6.781 9.405 ( -1.511 -5.973 0.036) 6.161 9.405 ( -1.511 5.973 0.036) 6.161 9.496 ( 6.239 -1.358 0.947) 6.455 9.496 ( 6.239 1.358 0.947) 6.455 9.723 ( -3.690 -1.388 -0.187) 3.947 9.723 ( -3.690 1.388 -0.187) 3.947 9.986 ( 8.574 -4.681 -3.476) 10.368 9.986 ( 8.574 4.681 -3.476) 10.368 10.490 ( -3.694 -3.675 0.829) 5.276 10.490 ( -3.694 3.675 0.829) 5.276 10.790 ( 0.595 -3.108 -0.784) 3.260 10.790 ( 0.595 3.108 -0.784) 3.260 10.983 ( -2.917 -5.669 -1.653) 6.587 10.983 ( -2.917 5.669 -1.653) 6.587 11.089 ( -0.890 -4.517 1.765) 4.930 11.089 ( -0.890 4.517 1.765) 4.930 11.423 ( 0.905 -3.248 0.161) 3.376 11.423 ( 0.905 3.248 0.161) 3.376 11.731 ( 0.971 -4.912 1.913) 5.360 11.731 ( 0.971 4.912 1.913) 5.360 11.963 ( -0.013 -2.184 -0.851) 2.344 11.963 ( -0.013 2.184 -0.851) 2.344 12.119 ( 1.724 -3.187 -1.242) 3.830 12.119 ( 1.724 3.187 -1.242) 3.830 12.327 ( -0.947 -2.935 -2.366) 3.887 12.327 ( -0.947 2.935 -2.366) 3.887 12.617 ( 0.737 -0.645 3.916) 4.037 12.617 ( 0.737 0.645 3.916) 4.037 12.844 ( -2.007 -4.516 -4.843) 6.919 12.844 ( -2.007 4.516 -4.843) 6.919 13.157 ( 6.012 -5.278 -11.378) 13.909 13.157 ( 6.012 5.278 -11.378) 13.909 13.403 ( -4.277 -1.748 4.448) 6.414 13.403 ( -4.277 1.748 4.448) 6.414 13.648 ( -2.090 -1.516 3.180) 4.096 13.648 ( -2.090 1.516 3.180) 4.096 13.854 ( 5.624 -2.314 5.400) 8.133 13.854 ( 5.624 2.314 5.400) 8.133 14.337 ( -4.926 -11.925 1.731) 13.018 14.337 ( -4.926 11.925 1.731) 13.018 14.531 ( -4.060 -9.701 3.258) 11.010 14.531 ( -4.060 9.701 3.258) 11.010 15.454 ( 11.707 -23.485 -3.147) 26.429 15.454 ( 11.707 23.485 -3.147) 26.429 15.816 ( -7.890 -5.472 4.673) 10.679 15.816 ( -7.890 5.472 4.673) 10.679 16.266 ( 2.101 -2.603 -6.787) 7.566 16.266 ( 2.101 2.603 -6.787) 7.566 17.066 ( -2.654 -0.942 5.306) 6.007 17.066 ( -2.654 0.942 5.306) 6.007 17.469 ( 3.862 -1.708 -3.685) 5.605 17.469 ( 3.862 1.708 -3.685) 5.605 ======================= Grid point 122 (65/108) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -6.831 -10.511 1.262) 12.599 2.178 ( -6.831 10.511 1.262) 12.599 2.519 ( -18.707 -6.562 0.705) 19.837 2.519 ( -18.707 6.562 0.705) 19.837 2.888 ( 10.777 -3.074 1.552) 11.314 2.888 ( 10.777 3.074 1.552) 11.314 3.388 ( 8.016 -5.188 1.589) 9.680 3.388 ( 8.016 5.188 1.589) 9.680 3.594 ( -19.521 -4.320 0.622) 20.003 3.594 ( -19.521 4.320 0.622) 20.003 4.028 ( -7.432 -3.780 -0.626) 8.361 4.028 ( -7.432 3.780 -0.626) 8.361 4.206 ( -1.734 -11.316 1.701) 11.574 4.206 ( -1.734 11.316 1.701) 11.574 4.425 ( -1.798 -5.019 -1.885) 5.655 4.425 ( -1.798 5.019 -1.885) 5.655 4.621 ( 2.788 -2.116 -0.668) 3.563 4.621 ( 2.788 2.116 -0.668) 3.563 4.967 ( -3.171 -3.038 -0.253) 4.399 4.967 ( -3.171 3.038 -0.253) 4.399 5.080 ( -0.792 -2.127 -2.650) 3.489 5.080 ( -0.792 2.127 -2.650) 3.489 5.508 ( 0.442 -6.344 -0.980) 6.434 5.508 ( 0.442 6.344 -0.980) 6.434 5.747 ( 2.884 -1.893 -1.732) 3.860 5.747 ( 2.884 1.893 -1.732) 3.860 5.804 ( 1.982 -1.947 1.839) 3.332 5.804 ( 1.982 1.947 1.839) 3.332 5.959 ( 12.018 -5.845 1.579) 13.457 5.959 ( 12.018 5.845 1.579) 13.457 6.250 ( 4.109 -1.357 2.148) 4.831 6.250 ( 4.109 1.357 2.148) 4.831 6.261 ( 4.560 -2.879 -7.574) 9.298 6.261 ( 4.560 2.879 -7.574) 9.298 6.651 ( -3.821 -1.282 -1.248) 4.219 6.651 ( -3.821 1.282 -1.248) 4.219 6.870 ( -8.359 -3.880 2.711) 9.606 6.870 ( -8.359 3.880 2.711) 9.606 7.172 ( -8.790 -2.369 4.806) 10.294 7.172 ( -8.790 2.369 4.806) 10.294 7.509 ( 0.716 -1.291 -2.477) 2.884 7.509 ( 0.716 1.291 -2.477) 2.884 7.561 ( 0.597 -6.414 0.804) 6.491 7.561 ( 0.597 6.414 0.804) 6.491 7.994 ( -11.892 -3.604 2.035) 12.592 7.994 ( -11.892 3.604 2.035) 12.592 8.113 ( 1.501 -5.454 -1.427) 5.834 8.113 ( 1.501 5.454 -1.427) 5.834 8.250 ( 2.692 -1.877 -1.824) 3.755 8.250 ( 2.692 1.877 -1.824) 3.755 8.658 ( -2.524 -4.842 2.937) 6.200 8.658 ( -2.524 4.842 2.937) 6.200 8.836 ( 1.120 -3.095 -2.339) 4.038 8.836 ( 1.120 3.095 -2.339) 4.038 9.162 ( 4.540 -3.318 2.496) 6.152 9.162 ( 4.540 3.318 2.496) 6.152 9.393 ( 2.371 -3.925 -1.085) 4.712 9.393 ( 2.371 3.925 -1.085) 4.712 9.597 ( 0.022 -1.744 0.484) 1.810 9.597 ( 0.022 1.744 0.484) 1.810 9.724 ( 5.694 -2.724 3.055) 7.013 9.724 ( 5.694 2.724 3.055) 7.013 10.113 ( 5.421 -4.780 -3.811) 8.170 10.113 ( 5.421 4.780 -3.811) 8.170 10.437 ( -2.204 -4.209 0.281) 4.760 10.437 ( -2.204 4.209 0.281) 4.760 10.756 ( -3.849 -1.735 -0.748) 4.287 10.756 ( -3.849 1.735 -0.748) 4.287 10.891 ( -5.673 -5.092 1.680) 7.807 10.891 ( -5.673 5.092 1.680) 7.807 11.091 ( 1.185 -4.338 0.812) 4.569 11.091 ( 1.185 4.338 0.812) 4.569 11.444 ( 0.507 -5.944 0.281) 5.972 11.444 ( 0.507 5.944 0.281) 5.972 11.735 ( -2.865 -3.754 1.072) 4.842 11.735 ( -2.865 3.754 1.072) 4.842 11.962 ( 1.459 -2.287 -0.935) 2.869 11.962 ( 1.459 2.287 -0.935) 2.869 12.153 ( 1.535 -2.128 -0.793) 2.741 12.153 ( 1.535 2.128 -0.793) 2.741 12.287 ( -0.679 -2.940 -4.693) 5.579 12.287 ( -0.679 2.940 -4.693) 5.579 12.629 ( -1.532 -4.382 3.111) 5.588 12.629 ( -1.532 4.382 3.111) 5.588 12.827 ( 3.153 -4.212 -4.007) 6.614 12.827 ( 3.153 4.213 -4.007) 6.614 13.200 ( 4.288 -4.450 -9.073) 10.978 13.200 ( 4.288 4.450 -9.073) 10.978 13.369 ( -1.841 -0.709 6.489) 6.783 13.369 ( -1.841 0.709 6.489) 6.783 13.638 ( -0.283 -0.464 2.524) 2.582 13.638 ( -0.283 0.464 2.524) 2.582 14.020 ( 6.595 -4.206 4.957) 9.261 14.020 ( 6.595 4.206 4.957) 9.261 14.260 ( -1.184 -11.856 -2.047) 12.089 14.260 ( -1.184 11.856 -2.047) 12.089 14.503 ( -3.531 -9.536 9.108) 13.652 14.503 ( -3.531 9.536 9.108) 13.652 15.384 ( -13.263 -7.140 -8.744) 17.416 15.384 ( -13.263 7.140 -8.744) 17.416 15.822 ( 6.762 -17.786 0.602) 19.037 15.822 ( 6.762 17.786 0.602) 19.037 16.325 ( 4.538 -3.286 -1.511) 5.803 16.325 ( 4.538 3.286 -1.511) 5.803 17.033 ( -3.688 -1.990 5.572) 6.972 17.033 ( -3.688 1.990 5.572) 6.972 17.555 ( 6.767 -6.270 -3.743) 9.956 17.555 ( 6.767 6.270 -3.743) 9.956 ======================= Grid point 124 (66/108) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -22.857 -3.978 -2.148) 23.300 1.866 ( -22.857 3.978 -2.148) 23.300 2.305 ( -3.176 -14.315 3.842) 15.158 2.305 ( -3.176 14.315 3.842) 15.158 3.083 ( 7.097 -3.155 1.901) 7.996 3.083 ( 7.097 3.155 1.901) 7.996 3.323 ( -7.762 -2.646 -0.106) 8.201 3.323 ( -7.762 2.646 -0.106) 8.201 3.577 ( 9.924 -3.425 0.601) 10.516 3.577 ( 9.924 3.425 0.601) 10.516 3.887 ( -6.830 -3.868 0.717) 7.882 3.887 ( -6.830 3.868 0.717) 7.882 4.074 ( -10.444 -11.930 -0.962) 15.885 4.074 ( -10.444 11.930 -0.962) 15.885 4.391 ( -0.495 -1.295 1.126) 1.786 4.391 ( -0.495 1.295 1.126) 1.786 4.750 ( 10.332 -2.842 -4.529) 11.634 4.750 ( 10.332 2.842 -4.529) 11.634 4.954 ( -0.515 -3.298 2.972) 4.469 4.954 ( -0.515 3.298 2.972) 4.469 5.079 ( 1.623 -3.389 -2.384) 4.450 5.079 ( 1.623 3.389 -2.384) 4.450 5.444 ( -6.574 -6.616 1.857) 9.510 5.444 ( -6.574 6.616 1.857) 9.510 5.707 ( -2.390 -5.937 -1.973) 6.697 5.707 ( -2.390 5.937 -1.973) 6.697 5.883 ( 4.205 -3.791 1.935) 5.983 5.883 ( 4.205 3.791 1.935) 5.983 6.146 ( 5.249 -2.861 -3.054) 6.713 6.146 ( 5.249 2.861 -3.054) 6.713 6.244 ( 1.069 -7.811 -2.157) 8.174 6.244 ( 1.069 7.811 -2.157) 8.174 6.373 ( 0.138 -4.466 -3.261) 5.532 6.373 ( 0.138 4.466 -3.261) 5.532 6.499 ( -4.055 -4.455 1.084) 6.121 6.499 ( -4.055 4.455 1.084) 6.121 6.834 ( 0.578 -0.906 3.679) 3.833 6.834 ( 0.578 0.906 3.679) 3.833 7.053 ( -5.553 -1.704 1.423) 5.981 7.053 ( -5.553 1.704 1.423) 5.981 7.436 ( -3.123 -5.868 1.089) 6.735 7.436 ( -3.123 5.868 1.089) 6.735 7.693 ( 7.002 -2.268 -0.139) 7.362 7.693 ( 7.002 2.268 -0.139) 7.362 7.802 ( -6.693 -0.632 2.139) 7.055 7.802 ( -6.693 0.632 2.139) 7.055 8.040 ( -6.515 -3.566 -0.245) 7.431 8.040 ( -6.515 3.566 -0.245) 7.431 8.330 ( 5.191 -3.655 -2.685) 6.893 8.330 ( 5.191 3.655 -2.685) 6.893 8.574 ( -5.592 -4.995 -2.466) 7.893 8.574 ( -5.592 4.995 -2.466) 7.893 8.813 ( -1.478 -2.880 3.996) 5.143 8.813 ( -1.478 2.880 3.996) 5.143 9.318 ( 6.779 -4.379 -2.195) 8.364 9.318 ( 6.779 4.379 -2.195) 8.364 9.457 ( 3.504 -1.826 -0.280) 3.961 9.457 ( 3.504 1.826 -0.280) 3.961 9.610 ( 3.282 -4.701 0.429) 5.749 9.610 ( 3.282 4.701 0.429) 5.749 9.892 ( 7.119 -3.833 5.352) 9.696 9.892 ( 7.119 3.833 5.352) 9.696 10.126 ( -1.354 -3.672 -3.759) 5.427 10.126 ( -1.354 3.672 -3.759) 5.427 10.401 ( -2.098 -3.501 0.204) 4.086 10.401 ( -2.098 3.501 0.204) 4.086 10.659 ( -3.970 -2.273 -0.207) 4.579 10.659 ( -3.970 2.273 -0.207) 4.579 10.812 ( -3.528 -2.461 1.320) 4.500 10.812 ( -3.528 2.461 1.320) 4.500 11.150 ( 3.874 -2.887 0.947) 4.923 11.150 ( 3.874 2.887 0.947) 4.923 11.429 ( -2.750 -6.918 0.547) 7.465 11.429 ( -2.750 6.918 0.547) 7.465 11.650 ( -5.277 -3.267 2.101) 6.553 11.650 ( -5.277 3.267 2.101) 6.553 11.977 ( -0.714 -1.527 -0.234) 1.702 11.977 ( -0.714 1.527 -0.234) 1.702 12.156 ( 2.265 -4.224 -4.789) 6.775 12.156 ( 2.265 4.224 -4.789) 6.775 12.283 ( 1.755 -1.462 -2.198) 3.170 12.283 ( 1.755 1.462 -2.198) 3.170 12.610 ( -1.429 -8.500 0.018) 8.619 12.610 ( -1.429 8.500 0.018) 8.619 12.889 ( 4.051 -1.847 -1.517) 4.703 12.889 ( 4.051 1.847 -1.517) 4.703 13.217 ( 1.921 -3.948 -3.238) 5.455 13.217 ( 1.921 3.948 -3.238) 5.455 13.413 ( 1.296 -3.227 7.256) 8.046 13.413 ( 1.296 3.227 7.256) 8.046 13.678 ( 3.055 -3.815 1.593) 5.140 13.678 ( 3.055 3.815 1.593) 5.140 14.072 ( -2.572 -10.188 -0.396) 10.515 14.072 ( -2.572 10.188 -0.396) 10.515 14.307 ( 3.423 -3.436 2.904) 5.653 14.307 ( 3.423 3.436 2.904) 5.653 14.494 ( -1.659 -13.591 5.208) 14.649 14.494 ( -1.659 13.591 5.208) 14.649 15.080 ( -11.091 -2.033 -3.334) 11.759 15.080 ( -11.091 2.033 -3.334) 11.759 15.885 ( 3.083 -20.990 -15.513) 26.282 15.885 ( 3.083 20.990 -15.513) 26.282 16.411 ( 2.704 -0.711 6.788) 7.341 16.411 ( 2.704 0.711 6.788) 7.341 17.011 ( -2.303 -4.081 7.743) 9.050 17.011 ( -2.303 4.081 7.743) 9.050 17.656 ( 5.514 -10.378 -4.839) 12.709 17.656 ( 5.514 10.378 -4.839) 12.709 ======================= Grid point 154 (67/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 4.092 0.000 21.016) 21.411 1.056 ( -8.191 0.000 25.023) 26.329 1.240 ( -3.559 0.000 -16.674) 17.049 1.490 ( 6.970 0.000 -19.701) 20.898 2.011 ( 3.952 0.000 41.507) 41.695 2.524 ( -0.695 0.000 20.964) 20.976 2.635 ( -5.984 0.000 -23.336) 24.091 2.914 ( 1.314 0.000 -19.188) 19.233 3.086 ( -0.120 0.000 13.963) 13.963 3.438 ( 2.119 0.000 -21.100) 21.206 3.559 ( 6.326 0.000 4.808) 7.946 3.663 ( -4.111 0.000 -5.519) 6.881 3.858 ( 15.826 0.000 4.330) 16.408 3.929 ( -16.754 0.000 -3.113) 17.040 4.080 ( -18.099 0.000 5.949) 19.052 4.196 ( 17.284 0.000 -4.594) 17.884 4.305 ( -14.061 0.000 4.406) 14.735 4.398 ( 11.263 0.000 -5.259) 12.430 4.518 ( -6.429 0.000 0.565) 6.454 4.529 ( 0.834 0.000 -1.872) 2.049 4.886 ( 5.310 0.000 4.022) 6.661 4.946 ( -6.347 0.000 -2.144) 6.699 5.142 ( 0.433 0.000 9.119) 9.129 5.303 ( -1.698 0.000 -7.359) 7.552 5.526 ( 8.533 0.000 1.737) 8.708 5.529 ( -7.907 0.000 2.445) 8.276 6.089 ( 0.535 0.000 -2.697) 2.749 6.107 ( 1.218 0.000 -4.636) 4.793 6.270 ( 11.789 0.000 4.422) 12.591 6.345 ( -12.294 0.000 -3.578) 12.804 6.379 ( -7.682 0.000 -0.459) 7.695 6.425 ( 4.222 0.000 -4.090) 5.878 6.664 ( 0.887 0.000 0.032) 0.887 6.665 ( 4.125 0.000 0.483) 4.153 6.763 ( 9.520 0.000 1.705) 9.671 6.803 ( -8.749 0.000 -2.685) 9.152 6.971 ( 5.833 0.000 1.262) 5.968 7.004 ( -4.186 0.000 -1.924) 4.607 7.264 ( -5.200 0.000 0.920) 5.281 7.281 ( 3.371 0.000 -0.422) 3.398 7.334 ( 6.788 0.000 3.509) 7.642 7.414 ( -6.593 0.000 -4.420) 7.938 7.983 ( -0.337 0.000 6.054) 6.063 8.068 ( 2.553 0.000 8.970) 9.326 8.110 ( -3.520 0.000 -5.621) 6.632 8.200 ( 3.247 0.000 -0.467) 3.281 8.509 ( 9.084 0.000 -0.940) 9.132 8.513 ( -0.105 0.000 1.835) 1.838 8.552 ( -3.962 0.000 2.291) 4.577 8.573 ( 9.707 0.000 -1.483) 9.819 8.674 ( 1.385 0.000 2.636) 2.978 8.745 ( 3.552 0.000 -3.292) 4.843 8.878 ( -2.975 0.000 2.430) 3.842 8.933 ( -2.521 0.000 -3.333) 4.179 9.194 ( -2.284 0.000 0.748) 2.403 9.226 ( 2.243 0.000 -2.122) 3.088 9.468 ( -4.390 0.000 5.548) 7.075 9.573 ( 3.131 0.000 -4.889) 5.806 9.673 ( 7.100 0.000 1.171) 7.196 9.696 ( -1.129 0.000 -1.131) 1.598 10.017 ( 12.675 0.000 1.887) 12.815 10.029 ( -12.909 0.000 0.822) 12.935 10.228 ( 1.503 0.000 0.764) 1.686 10.248 ( -3.834 0.000 -0.597) 3.880 10.341 ( 1.800 0.000 4.705) 5.038 10.420 ( -1.977 0.000 -2.380) 3.094 10.645 ( -6.191 0.000 1.877) 6.469 10.669 ( -0.199 0.000 2.185) 2.194 10.740 ( -1.607 0.000 2.293) 2.800 10.881 ( 5.095 0.000 -9.336) 10.636 11.153 ( -2.825 0.000 3.275) 4.325 11.219 ( 1.474 0.000 -2.937) 3.286 11.387 ( 1.886 0.000 3.363) 3.855 11.471 ( 0.504 0.000 -5.468) 5.491 11.730 ( -3.524 0.000 2.760) 4.476 11.792 ( 0.261 0.000 -2.475) 2.488 11.815 ( -5.885 0.000 2.596) 6.432 11.871 ( 6.480 0.000 -1.942) 6.764 12.065 ( 1.630 0.000 4.900) 5.164 12.134 ( -7.199 0.000 -0.185) 7.202 12.250 ( 4.549 0.000 -2.687) 5.284 12.280 ( 1.105 0.000 -4.622) 4.752 12.573 ( 1.741 0.000 2.026) 2.672 12.629 ( -2.265 0.000 1.168) 2.548 12.649 ( -8.689 0.000 -1.677) 8.850 12.693 ( 1.558 0.000 -0.659) 1.691 12.988 ( -2.176 0.000 0.629) 2.265 13.054 ( 2.629 0.000 -6.440) 6.956 13.184 ( -3.348 0.000 -1.739) 3.773 13.205 ( 4.615 0.000 -1.323) 4.801 13.367 ( -5.442 0.000 0.545) 5.469 13.421 ( 1.830 0.000 -2.846) 3.383 13.725 ( -2.440 0.000 2.945) 3.825 13.797 ( 5.360 0.000 -3.584) 6.448 14.344 ( 7.030 0.000 7.796) 10.498 14.455 ( -4.410 0.000 -2.206) 4.931 14.656 ( 0.011 0.000 12.064) 12.064 14.898 ( -1.059 0.000 -11.474) 11.523 14.930 ( 1.009 0.000 19.516) 19.542 15.269 ( 3.462 0.000 -14.857) 15.255 15.625 ( -9.283 0.000 8.745) 12.753 15.800 ( 5.219 0.000 -8.707) 10.151 16.668 ( -0.653 0.000 11.885) 11.903 16.791 ( 4.924 0.000 -2.104) 5.355 16.889 ( -2.950 0.000 5.541) 6.278 17.134 ( -1.858 0.000 -18.164) 18.259 18.651 ( 7.496 0.000 13.848) 15.747 18.882 ( -10.226 0.000 -10.022) 14.318 ======================= Grid point 155 (68/108) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 4.587 0.000 -16.601) 17.223 1.141 ( 10.632 0.000 17.415) 20.404 1.369 ( 20.758 0.000 19.821) 28.702 1.701 ( 19.924 0.000 -19.928) 28.180 2.422 ( 11.497 0.000 33.200) 35.135 2.512 ( 11.209 0.000 -21.529) 24.272 2.610 ( -1.171 0.000 16.675) 16.716 2.735 ( -7.519 0.000 -17.086) 18.668 3.107 ( -6.711 0.000 13.470) 15.049 3.263 ( -4.320 0.000 -18.467) 18.966 3.547 ( -8.390 0.000 -9.607) 12.755 3.658 ( -5.568 0.000 7.525) 9.361 3.747 ( 5.269 0.000 -4.731) 7.081 3.761 ( -14.551 0.000 6.611) 15.982 4.170 ( 3.689 0.000 6.529) 7.499 4.270 ( 18.440 0.000 2.588) 18.621 4.476 ( 12.747 0.000 -3.011) 13.098 4.605 ( 10.515 0.000 -3.830) 11.191 4.622 ( 11.771 0.000 3.970) 12.422 4.701 ( 12.874 0.000 3.451) 13.328 4.878 ( 3.400 0.000 -3.896) 5.171 4.999 ( 5.048 0.000 3.025) 5.885 5.245 ( 0.912 0.000 8.383) 8.432 5.272 ( 2.273 0.000 -5.398) 5.857 5.533 ( 9.162 0.000 2.052) 9.389 5.761 ( 12.883 0.000 0.684) 12.902 5.956 ( -18.894 0.000 -1.067) 18.924 5.995 ( -10.481 0.000 -1.319) 10.563 6.103 ( -3.783 0.000 -3.901) 5.434 6.197 ( -6.741 0.000 -0.769) 6.785 6.396 ( -5.306 0.000 0.340) 5.317 6.483 ( 5.951 0.000 6.797) 9.034 6.585 ( -11.899 0.000 -3.724) 12.468 6.598 ( -5.188 0.000 -3.221) 6.107 6.673 ( -3.360 0.000 -1.139) 3.548 6.848 ( -9.880 0.000 -4.715) 10.947 6.951 ( 6.437 0.000 0.030) 6.437 7.052 ( 3.048 0.000 0.416) 3.076 7.170 ( -4.811 0.000 0.599) 4.848 7.326 ( 1.258 0.000 -1.424) 1.900 7.351 ( 4.671 0.000 1.440) 4.888 7.559 ( 13.019 0.000 1.161) 13.071 7.931 ( -10.762 0.000 -2.568) 11.065 7.961 ( -4.966 0.000 6.090) 7.858 8.154 ( 1.276 0.000 4.643) 4.815 8.181 ( -3.974 0.000 -8.974) 9.815 8.297 ( -6.785 0.000 -6.238) 9.217 8.417 ( -4.238 0.000 -0.890) 4.331 8.547 ( -3.111 0.000 -4.227) 5.248 8.619 ( -3.579 0.000 -3.112) 4.743 8.729 ( 0.207 0.000 -4.360) 4.365 8.753 ( 3.200 0.000 2.400) 4.000 9.005 ( 6.154 0.000 0.424) 6.169 9.114 ( 2.040 0.000 0.511) 2.103 9.137 ( -1.578 0.000 -1.149) 1.952 9.174 ( 3.177 0.000 1.127) 3.371 9.437 ( -4.211 0.000 3.829) 5.691 9.650 ( 5.752 0.000 -2.767) 6.383 9.746 ( 7.028 0.000 -0.988) 7.097 9.751 ( -9.410 0.000 -4.123) 10.274 10.003 ( 20.996 0.000 -10.511) 23.480 10.070 ( -11.686 0.000 5.247) 12.810 10.237 ( -0.551 0.000 2.788) 2.842 10.265 ( 8.499 0.000 -1.960) 8.723 10.410 ( 2.277 0.000 -4.017) 4.617 10.459 ( 8.345 0.000 3.884) 9.205 10.636 ( 3.455 0.000 3.123) 4.657 10.652 ( -3.249 0.000 7.588) 8.254 10.790 ( 3.040 0.000 1.965) 3.620 10.917 ( 3.701 0.000 -8.538) 9.305 11.149 ( -0.572 0.000 5.647) 5.676 11.297 ( 8.081 0.000 -3.344) 8.746 11.458 ( 2.798 0.000 2.073) 3.483 11.489 ( 5.329 0.000 -7.437) 9.149 11.691 ( -3.109 0.000 5.948) 6.712 11.714 ( -4.467 0.000 2.254) 5.004 11.831 ( 3.228 0.000 -1.894) 3.742 11.940 ( -3.972 0.000 5.050) 6.425 11.977 ( -7.010 0.000 0.600) 7.035 12.063 ( 2.687 0.000 0.073) 2.688 12.284 ( 0.261 0.000 -3.750) 3.759 12.331 ( 4.367 0.000 -3.104) 5.358 12.515 ( -4.639 0.000 0.068) 4.640 12.591 ( -0.547 0.000 3.601) 3.642 12.634 ( 0.437 0.000 5.347) 5.365 12.779 ( 4.316 0.000 4.590) 6.301 12.953 ( -1.571 0.000 0.384) 1.617 13.052 ( -4.144 0.000 -3.881) 5.678 13.074 ( -1.403 0.000 -2.421) 2.798 13.230 ( -4.354 0.000 -5.366) 6.910 13.273 ( -2.405 0.000 7.300) 7.686 13.418 ( -2.433 0.000 2.094) 3.210 13.729 ( 2.267 0.000 -0.102) 2.270 13.893 ( 6.836 0.000 -4.793) 8.349 14.331 ( -5.128 0.000 -4.919) 7.106 14.507 ( 5.311 0.000 1.760) 5.595 14.719 ( -2.161 0.000 13.115) 13.292 14.789 ( -2.400 0.000 -10.798) 11.061 14.923 ( -9.564 0.000 12.741) 15.931 15.031 ( -11.389 0.000 -14.603) 18.519 15.735 ( 8.963 0.000 6.305) 10.959 16.021 ( 19.507 0.000 -3.697) 19.854 16.717 ( 1.600 0.000 5.915) 6.128 16.860 ( 2.012 0.000 -12.181) 12.346 16.948 ( 1.990 0.000 12.717) 12.872 17.062 ( 5.709 0.000 -6.599) 8.726 18.422 ( -27.960 0.000 -1.413) 27.995 18.679 ( -12.267 0.000 8.674) 15.024 ======================= Grid point 156 (69/108) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 14.666 0.000 -12.382) 19.194 1.472 ( 14.166 0.000 11.755) 18.408 1.837 ( 8.048 0.000 -17.860) 19.590 1.890 ( 18.831 0.000 15.094) 24.133 2.429 ( -11.848 0.000 -15.415) 19.442 2.484 ( -11.039 0.000 15.145) 18.741 2.765 ( -15.334 0.000 9.747) 18.170 2.851 ( 21.649 0.000 -10.145) 23.908 3.116 ( 12.444 0.000 12.320) 17.511 3.191 ( 11.949 0.000 -12.739) 17.466 3.328 ( -4.063 0.000 -13.351) 13.956 3.476 ( -15.783 0.000 12.493) 20.129 3.695 ( 6.020 0.000 10.481) 12.087 3.925 ( 12.209 0.000 -5.125) 13.241 4.370 ( 9.224 0.000 4.495) 10.261 4.585 ( 0.691 0.000 -2.399) 2.497 4.618 ( 11.302 0.000 2.400) 11.554 4.754 ( 8.340 0.000 -5.757) 10.134 4.845 ( 10.552 0.000 0.849) 10.586 4.945 ( 10.920 0.000 0.122) 10.921 5.092 ( 16.290 0.000 0.495) 16.298 5.154 ( 7.461 0.000 2.105) 7.752 5.219 ( -5.840 0.000 -0.182) 5.843 5.323 ( 2.122 0.000 -1.529) 2.616 5.544 ( -17.551 0.000 2.250) 17.695 5.709 ( -4.460 0.000 1.146) 4.604 5.760 ( -5.019 0.000 8.834) 10.161 5.941 ( 2.216 0.000 -5.620) 6.041 6.027 ( -1.433 0.000 0.617) 1.560 6.161 ( -1.727 0.000 -2.737) 3.236 6.258 ( -7.958 0.000 2.374) 8.305 6.390 ( -3.436 0.000 -0.292) 3.449 6.543 ( -3.180 0.000 -0.113) 3.182 6.564 ( -1.826 0.000 7.436) 7.657 6.566 ( -10.593 0.000 -4.130) 11.370 6.585 ( -1.166 0.000 0.072) 1.168 7.026 ( 4.197 0.000 -2.820) 5.056 7.077 ( -1.326 0.000 0.428) 1.394 7.176 ( 6.085 0.000 1.244) 6.210 7.415 ( 5.691 0.000 3.136) 6.498 7.471 ( 5.691 0.000 1.846) 5.983 7.702 ( -11.346 0.000 -0.558) 11.360 7.742 ( 2.085 0.000 -3.469) 4.047 7.868 ( -3.968 0.000 -0.277) 3.977 8.010 ( -6.505 0.000 -5.913) 8.791 8.094 ( -4.976 0.000 -6.589) 8.257 8.284 ( 3.201 0.000 4.056) 5.167 8.401 ( 2.385 0.000 -5.388) 5.892 8.440 ( -2.929 0.000 -9.184) 9.640 8.490 ( -4.578 0.000 -1.832) 4.931 8.779 ( -1.214 0.000 1.672) 2.066 8.779 ( 4.878 0.000 -1.100) 5.001 9.004 ( -6.390 0.000 1.348) 6.531 9.069 ( 0.082 0.000 1.049) 1.052 9.178 ( 4.772 0.000 1.203) 4.921 9.260 ( -1.230 0.000 3.530) 3.738 9.327 ( -7.588 0.000 -0.578) 7.610 9.493 ( -9.394 0.000 -4.552) 10.439 9.788 ( 5.833 0.000 -4.426) 7.322 9.851 ( -3.795 0.000 0.694) 3.858 9.960 ( 6.167 0.000 3.060) 6.885 10.268 ( 4.695 0.000 -2.405) 5.275 10.283 ( 9.053 0.000 -2.840) 9.488 10.384 ( 5.681 0.000 -1.833) 5.970 10.425 ( 2.542 0.000 -2.975) 3.914 10.639 ( 5.518 0.000 2.021) 5.876 10.654 ( -0.482 0.000 3.031) 3.069 10.789 ( 10.382 0.000 2.585) 10.699 10.862 ( 3.810 0.000 2.390) 4.498 10.892 ( -2.162 0.000 -5.505) 5.914 11.189 ( 0.195 0.000 6.963) 6.966 11.434 ( 7.307 0.000 -6.628) 9.865 11.477 ( -2.520 0.000 0.055) 2.521 11.528 ( 0.148 0.000 -6.688) 6.690 11.660 ( -2.030 0.000 2.416) 3.156 11.717 ( 2.040 0.000 10.190) 10.393 11.844 ( -5.492 0.000 5.611) 7.851 11.879 ( 2.717 0.000 1.484) 3.096 11.952 ( 3.698 0.000 1.107) 3.860 12.172 ( 6.291 0.000 -1.806) 6.545 12.239 ( -1.990 0.000 -2.638) 3.305 12.335 ( -2.178 0.000 -3.678) 4.274 12.466 ( 0.438 0.000 -1.958) 2.007 12.593 ( -2.337 0.000 4.133) 4.748 12.698 ( 1.882 0.000 5.652) 5.957 12.849 ( -2.487 0.000 8.096) 8.470 12.904 ( -4.999 0.000 -4.292) 6.588 12.938 ( -0.333 0.000 0.426) 0.541 13.078 ( 1.471 0.000 -3.117) 3.447 13.085 ( -6.559 0.000 -1.918) 6.834 13.278 ( -2.200 0.000 7.858) 8.161 13.374 ( -2.832 0.000 3.795) 4.736 13.794 ( 2.979 0.000 1.574) 3.369 13.993 ( 6.579 0.000 -6.814) 9.472 14.228 ( -2.725 0.000 -2.152) 3.472 14.481 ( -5.760 0.000 -6.483) 8.672 14.679 ( -9.558 0.000 9.520) 13.490 14.744 ( 0.429 0.000 -8.909) 8.920 14.804 ( -0.270 0.000 -9.348) 9.352 14.836 ( -4.441 0.000 9.281) 10.289 15.944 ( 8.478 0.000 5.800) 10.272 16.414 ( 20.525 0.000 -2.179) 20.640 16.756 ( -1.526 0.000 -13.226) 13.313 16.825 ( 4.493 0.000 8.445) 9.566 17.074 ( 2.761 0.000 12.938) 13.230 17.213 ( 9.975 0.000 -4.289) 10.858 17.903 ( -24.849 0.000 1.743) 24.910 18.329 ( -22.803 0.000 -4.037) 23.157 ======================= Grid point 157 (70/108) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 19.123 0.000 -7.064) 20.386 1.724 ( -2.218 0.000 0.195) 2.226 1.901 ( 7.100 0.000 5.222) 8.813 2.078 ( -10.189 0.000 4.353) 11.080 2.209 ( 6.678 0.000 -18.878) 20.024 2.360 ( -23.035 0.000 3.195) 23.255 2.498 ( 6.836 0.000 20.304) 21.424 2.986 ( 2.432 0.000 -6.927) 7.342 3.103 ( -16.747 0.000 6.968) 18.139 3.159 ( 3.070 0.000 -18.662) 18.913 3.520 ( 5.716 0.000 18.245) 19.120 3.682 ( 24.712 0.000 -4.243) 25.074 4.076 ( 9.696 0.000 -7.357) 12.171 4.099 ( 23.089 0.000 4.188) 23.466 4.371 ( -16.172 0.000 3.859) 16.626 4.582 ( -1.012 0.000 -3.662) 3.799 4.707 ( -0.432 0.000 1.055) 1.140 4.750 ( -7.418 0.000 -4.631) 8.745 4.887 ( -7.643 0.000 5.547) 9.444 5.015 ( -1.407 0.000 -8.044) 8.166 5.163 ( 4.888 0.000 5.843) 7.618 5.228 ( 5.883 0.000 -1.072) 5.980 5.332 ( 11.334 0.000 -0.967) 11.375 5.474 ( 15.048 0.000 3.986) 15.567 5.553 ( 5.036 0.000 -0.489) 5.060 5.611 ( -4.312 0.000 7.160) 8.358 5.736 ( -14.648 0.000 -3.237) 15.002 5.742 ( -5.213 0.000 1.909) 5.552 6.066 ( -4.427 0.000 0.725) 4.486 6.089 ( 4.483 0.000 -2.716) 5.241 6.202 ( -0.214 0.000 -0.042) 0.218 6.262 ( -6.086 0.000 0.341) 6.096 6.275 ( -5.432 0.000 -2.847) 6.133 6.476 ( -8.703 0.000 -1.497) 8.831 6.644 ( 3.534 0.000 5.342) 6.406 6.705 ( 6.034 0.000 0.386) 6.046 7.129 ( 3.329 0.000 4.573) 5.656 7.136 ( 9.060 0.000 -4.559) 10.142 7.317 ( 5.558 0.000 3.150) 6.388 7.474 ( -3.865 0.000 5.746) 6.925 7.547 ( -0.574 0.000 -1.213) 1.342 7.578 ( 0.849 0.000 5.739) 5.801 7.592 ( -8.593 0.000 -1.882) 8.797 7.806 ( -2.524 0.000 -5.016) 5.616 7.933 ( 0.093 0.000 -4.415) 4.416 7.979 ( -1.567 0.000 -7.216) 7.385 8.294 ( -5.035 0.000 -3.107) 5.916 8.312 ( -3.362 0.000 -8.059) 8.732 8.410 ( 5.132 0.000 -1.016) 5.231 8.514 ( 1.915 0.000 -1.345) 2.340 8.787 ( 2.209 0.000 2.380) 3.247 8.852 ( 0.699 0.000 0.919) 1.155 8.937 ( 0.511 0.000 0.937) 1.067 9.051 ( -3.659 0.000 4.127) 5.516 9.160 ( -7.706 0.000 -1.115) 7.787 9.187 ( -5.210 0.000 1.325) 5.376 9.274 ( 3.831 0.000 0.996) 3.958 9.366 ( -1.399 0.000 -4.705) 4.909 9.802 ( 0.226 0.000 -1.008) 1.033 9.824 ( 0.638 0.000 -3.207) 3.269 10.129 ( 7.074 0.000 1.065) 7.154 10.244 ( -4.006 0.000 0.461) 4.032 10.441 ( 5.029 0.000 1.597) 5.276 10.464 ( 2.699 0.000 -0.956) 2.864 10.496 ( 4.281 0.000 1.755) 4.627 10.651 ( -1.056 0.000 2.513) 2.726 10.697 ( 1.302 0.000 -0.906) 1.587 10.755 ( -7.657 0.000 -5.047) 9.170 10.989 ( 9.105 0.000 -2.090) 9.342 11.008 ( 5.925 0.000 3.474) 6.869 11.215 ( 0.725 0.000 2.750) 2.844 11.394 ( -8.240 0.000 -2.120) 8.508 11.395 ( -3.440 0.000 0.894) 3.554 11.489 ( 1.831 0.000 -7.868) 8.078 11.693 ( 2.170 0.000 5.517) 5.929 11.757 ( -3.002 0.000 7.157) 7.761 11.921 ( 8.390 0.000 1.251) 8.482 11.961 ( 2.441 0.000 3.586) 4.338 12.058 ( 5.191 0.000 1.922) 5.536 12.202 ( 0.768 0.000 -3.290) 3.379 12.225 ( -4.880 0.000 -4.665) 6.751 12.239 ( 0.216 0.000 -1.718) 1.731 12.506 ( 4.779 0.000 -3.204) 5.754 12.537 ( -5.207 0.000 2.755) 5.891 12.752 ( 2.132 0.000 0.503) 2.190 12.762 ( -7.131 0.000 5.606) 9.071 12.872 ( 1.446 0.000 -2.155) 2.595 12.908 ( -3.208 0.000 -0.330) 3.225 13.013 ( -0.127 0.000 1.575) 1.580 13.088 ( 1.645 0.000 -3.613) 3.970 13.297 ( -1.005 0.000 9.515) 9.568 13.377 ( 1.010 0.000 2.755) 2.934 13.830 ( -0.883 0.000 3.567) 3.675 14.014 ( -0.274 0.000 -10.090) 10.093 14.207 ( -0.584 0.000 4.512) 4.550 14.380 ( 1.496 0.000 -5.388) 5.592 14.536 ( -8.395 0.000 5.655) 10.122 14.647 ( 0.235 0.000 -13.107) 13.109 14.819 ( -3.441 0.000 7.785) 8.512 14.868 ( 5.568 0.000 -3.510) 6.582 16.133 ( 7.163 0.000 7.656) 10.485 16.512 ( -5.107 0.000 -11.121) 12.238 16.908 ( 20.404 0.000 -2.453) 20.551 16.920 ( -5.032 0.000 15.678) 16.466 17.223 ( 5.799 0.000 10.321) 11.838 17.346 ( 6.905 0.000 -7.282) 10.035 17.514 ( -14.269 0.000 0.668) 14.284 17.849 ( -20.452 0.000 -10.392) 22.941 ======================= Grid point 158 (71/108) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -22.247 0.000 3.312) 22.492 1.673 ( -15.672 0.000 5.559) 16.629 1.937 ( 8.900 0.000 5.989) 10.727 1.996 ( -14.787 0.000 -2.255) 14.958 2.134 ( 10.094 0.000 0.113) 10.095 2.457 ( 22.030 0.000 -8.098) 23.471 2.796 ( 1.908 0.000 18.371) 18.470 2.856 ( -4.035 0.000 5.624) 6.921 2.875 ( -2.814 0.000 -17.942) 18.161 3.272 ( 14.396 0.000 -9.770) 17.398 3.593 ( -27.148 0.000 4.143) 27.462 3.814 ( -11.734 0.000 18.808) 22.168 3.824 ( 0.233 0.000 -12.409) 12.412 4.075 ( -21.288 0.000 5.282) 21.934 4.505 ( 8.879 0.000 -9.775) 13.205 4.506 ( -0.781 0.000 2.808) 2.914 4.706 ( 4.784 0.000 0.967) 4.881 4.717 ( 0.511 0.000 0.512) 0.724 4.891 ( 3.028 0.000 4.259) 5.226 5.013 ( 0.903 0.000 -5.402) 5.477 5.190 ( 0.629 0.000 1.666) 1.781 5.273 ( -2.547 0.000 -3.822) 4.593 5.320 ( -14.562 0.000 0.244) 14.564 5.469 ( -8.403 0.000 2.244) 8.697 5.621 ( -1.434 0.000 -2.528) 2.907 5.670 ( 7.680 0.000 2.382) 8.041 5.677 ( 3.446 0.000 -0.730) 3.523 5.767 ( 13.215 0.000 -0.819) 13.241 5.986 ( -4.402 0.000 4.566) 6.342 6.087 ( -2.943 0.000 0.252) 2.954 6.230 ( 7.742 0.000 0.710) 7.774 6.268 ( 7.403 0.000 -5.086) 8.981 6.313 ( -2.427 0.000 -4.308) 4.945 6.450 ( 14.096 0.000 1.156) 14.144 6.716 ( 2.511 0.000 0.661) 2.596 6.743 ( -1.509 0.000 -4.754) 4.988 7.044 ( -9.893 0.000 4.778) 10.986 7.211 ( -3.884 0.000 -3.610) 5.302 7.390 ( -3.696 0.000 -4.497) 5.821 7.441 ( 3.486 0.000 7.088) 7.899 7.566 ( 1.838 0.000 -0.253) 1.856 7.574 ( 4.100 0.000 2.286) 4.694 7.659 ( 6.260 0.000 8.884) 10.868 7.745 ( -2.673 0.000 -12.363) 12.649 7.883 ( -1.350 0.000 0.399) 1.407 7.934 ( -0.837 0.000 -3.959) 4.046 8.218 ( -0.435 0.000 1.068) 1.153 8.245 ( -0.565 0.000 -0.795) 0.975 8.481 ( -1.507 0.000 -6.128) 6.310 8.485 ( 1.175 0.000 1.145) 1.640 8.816 ( -1.819 0.000 -0.686) 1.944 8.867 ( 2.953 0.000 0.283) 2.967 8.961 ( -5.531 0.000 -1.331) 5.689 9.019 ( 2.845 0.000 4.214) 5.084 9.122 ( 4.987 0.000 6.203) 7.959 9.149 ( 0.188 0.000 2.806) 2.812 9.325 ( -1.285 0.000 -4.400) 4.584 9.341 ( 2.727 0.000 -0.552) 2.783 9.807 ( -0.371 0.000 -0.956) 1.026 9.823 ( 2.888 0.000 -3.444) 4.495 10.142 ( -6.686 0.000 -0.044) 6.686 10.220 ( 1.140 0.000 2.380) 2.639 10.435 ( -6.776 0.000 1.201) 6.882 10.438 ( -4.281 0.000 0.940) 4.383 10.531 ( -11.305 0.000 -1.501) 11.404 10.606 ( 2.603 0.000 8.829) 9.204 10.668 ( 0.551 0.000 2.694) 2.749 10.733 ( 4.131 0.000 -5.209) 6.648 10.981 ( -4.916 0.000 -0.865) 4.991 11.092 ( -2.121 0.000 -4.546) 5.017 11.296 ( 5.629 0.000 -3.776) 6.778 11.344 ( 7.156 0.000 2.409) 7.551 11.365 ( -2.827 0.000 4.767) 5.542 11.448 ( -1.567 0.000 -5.658) 5.871 11.734 ( -2.162 0.000 1.684) 2.741 11.782 ( 4.114 0.000 4.021) 5.753 11.963 ( -2.930 0.000 -0.607) 2.992 12.028 ( -0.470 0.000 -1.563) 1.632 12.086 ( -5.717 0.000 -1.721) 5.970 12.135 ( 0.655 0.000 3.493) 3.554 12.218 ( 1.745 0.000 -5.700) 5.961 12.251 ( 4.922 0.000 -3.116) 5.826 12.458 ( -3.520 0.000 1.762) 3.937 12.594 ( 5.973 0.000 -2.998) 6.683 12.688 ( -3.077 0.000 5.038) 5.903 12.781 ( -0.445 0.000 2.243) 2.287 12.904 ( 5.175 0.000 -3.075) 6.020 12.924 ( 4.694 0.000 -1.422) 4.905 13.034 ( 0.472 0.000 1.650) 1.716 13.099 ( 2.512 0.000 -6.226) 6.713 13.348 ( 1.167 0.000 6.350) 6.456 13.419 ( 2.259 0.000 -2.008) 3.022 13.827 ( -2.556 0.000 8.308) 8.692 13.921 ( -2.525 0.000 -5.944) 6.458 14.237 ( -0.080 0.000 7.804) 7.805 14.381 ( 0.411 0.000 -12.821) 12.827 14.454 ( -3.449 0.000 6.625) 7.469 14.658 ( 8.511 0.000 -7.093) 11.079 14.785 ( -4.155 0.000 5.217) 6.669 14.941 ( 4.396 0.000 -4.736) 6.462 16.307 ( -8.527 0.000 -9.747) 12.950 16.308 ( 5.017 0.000 9.722) 10.940 16.758 ( -18.810 0.000 12.521) 22.596 17.195 ( 2.943 0.000 -10.790) 11.184 17.245 ( -6.483 0.000 3.979) 7.606 17.410 ( 4.801 0.000 -5.684) 7.440 17.529 ( 1.304 0.000 -5.315) 5.473 17.586 ( 14.415 0.000 15.189) 20.940 ======================= Grid point 159 (72/108) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -20.471 0.000 9.001) 22.362 1.391 ( -17.211 0.000 21.997) 27.930 1.697 ( -12.231 0.000 -6.378) 13.794 2.132 ( -10.469 0.000 -9.792) 14.335 2.176 ( 2.337 0.000 11.432) 11.668 2.624 ( -21.822 0.000 12.510) 25.154 2.754 ( 9.514 0.000 -11.110) 14.627 2.922 ( 21.855 0.000 -8.980) 23.628 2.931 ( -21.927 0.000 11.923) 24.959 3.131 ( 12.528 0.000 7.303) 14.501 3.387 ( -10.151 0.000 -14.399) 17.617 3.630 ( 4.889 0.000 -1.597) 5.143 3.828 ( -7.502 0.000 5.910) 9.550 3.885 ( 1.982 0.000 -10.040) 10.234 4.445 ( -1.872 0.000 10.590) 10.754 4.467 ( -7.119 0.000 -5.591) 9.052 4.653 ( -10.271 0.000 -0.399) 10.278 4.658 ( -11.542 0.000 4.257) 12.302 4.841 ( -9.910 0.000 1.019) 9.962 4.912 ( -5.255 0.000 3.736) 6.447 5.110 ( -3.105 0.000 1.857) 3.617 5.145 ( -14.636 0.000 -2.735) 14.889 5.309 ( -10.954 0.000 -1.414) 11.045 5.336 ( 6.920 0.000 -8.766) 11.168 5.612 ( 15.266 0.000 -2.579) 15.482 5.733 ( -0.201 0.000 -0.262) 0.330 5.822 ( -0.024 0.000 4.004) 4.005 5.884 ( 1.795 0.000 -2.866) 3.382 6.021 ( 5.390 0.000 1.695) 5.650 6.148 ( 10.678 0.000 0.001) 10.678 6.316 ( 6.494 0.000 -3.087) 7.190 6.391 ( 4.709 0.000 -0.285) 4.718 6.517 ( 14.454 0.000 -0.439) 14.461 6.603 ( -6.240 0.000 -4.736) 7.833 6.612 ( 3.684 0.000 -2.934) 4.710 6.767 ( 2.842 0.000 -11.860) 12.196 6.970 ( -0.597 0.000 2.855) 2.917 7.084 ( -1.208 0.000 -0.626) 1.361 7.259 ( -7.702 0.000 -8.027) 11.125 7.469 ( -5.634 0.000 3.015) 6.391 7.500 ( -12.145 0.000 -7.477) 14.262 7.634 ( 2.365 0.000 7.066) 7.451 7.674 ( 7.536 0.000 2.676) 7.997 7.812 ( 0.480 0.000 2.403) 2.451 7.935 ( 1.680 0.000 7.872) 8.049 7.964 ( 8.341 0.000 1.420) 8.461 8.254 ( -0.781 0.000 4.394) 4.463 8.275 ( 2.957 0.000 4.767) 5.610 8.452 ( 4.278 0.000 -8.563) 9.572 8.478 ( -0.126 0.000 0.721) 0.732 8.785 ( -6.864 0.000 -1.449) 7.016 8.800 ( -0.585 0.000 -0.002) 0.585 9.011 ( 7.166 0.000 0.756) 7.206 9.038 ( -0.734 0.000 3.221) 3.303 9.164 ( -5.448 0.000 2.845) 6.146 9.302 ( 2.607 0.000 -0.283) 2.623 9.323 ( 6.363 0.000 0.203) 6.366 9.406 ( 8.749 0.000 4.078) 9.653 9.747 ( -5.647 0.000 -0.147) 5.649 9.883 ( 0.323 0.000 -2.870) 2.888 10.022 ( -0.349 0.000 -2.900) 2.921 10.115 ( -16.301 0.000 7.832) 18.085 10.303 ( -1.609 0.000 -1.233) 2.027 10.345 ( -5.565 0.000 1.520) 5.769 10.387 ( -5.031 0.000 0.780) 5.091 10.649 ( -4.905 0.000 1.893) 5.257 10.680 ( -0.547 0.000 8.228) 8.246 10.783 ( 4.915 0.000 -8.004) 9.393 10.891 ( -4.360 0.000 -0.216) 4.365 10.955 ( -4.913 0.000 -7.733) 9.162 11.310 ( -5.604 0.000 4.954) 7.480 11.355 ( -2.351 0.000 -7.775) 8.123 11.415 ( -2.399 0.000 4.994) 5.540 11.458 ( 6.750 0.000 -0.041) 6.750 11.708 ( 0.095 0.000 -0.859) 0.865 11.875 ( -1.653 0.000 -4.152) 4.469 11.913 ( -6.519 0.000 -2.382) 6.940 11.917 ( 6.396 0.000 -1.481) 6.565 11.988 ( -3.296 0.000 -2.180) 3.952 12.107 ( -5.657 0.000 4.647) 7.321 12.258 ( 3.921 0.000 -4.763) 6.170 12.303 ( 1.301 0.000 -0.916) 1.591 12.445 ( 1.607 0.000 0.273) 1.630 12.674 ( 3.332 0.000 -4.027) 5.227 12.700 ( 0.672 0.000 3.047) 3.120 12.807 ( 1.725 0.000 4.102) 4.450 13.008 ( 4.296 0.000 -2.929) 5.199 13.013 ( 5.936 0.000 -4.297) 7.328 13.047 ( 1.603 0.000 -1.166) 1.982 13.121 ( 4.943 0.000 -8.359) 9.712 13.413 ( 3.142 0.000 0.726) 3.225 13.428 ( 1.481 0.000 -6.259) 6.432 13.820 ( -4.616 0.000 10.275) 11.264 13.855 ( -2.427 0.000 -3.667) 4.397 14.249 ( -5.145 0.000 -8.497) 9.933 14.327 ( 4.331 0.000 9.411) 10.359 14.488 ( 1.231 0.000 12.905) 12.964 14.725 ( -4.145 0.000 2.427) 4.803 14.846 ( 13.424 0.000 -6.974) 15.128 14.981 ( 3.330 0.000 -5.869) 6.748 16.087 ( -8.563 0.000 -8.124) 11.804 16.321 ( -16.383 0.000 7.023) 17.825 16.529 ( -3.490 0.000 10.687) 11.242 16.974 ( -10.876 0.000 -7.968) 13.482 17.131 ( -8.145 0.000 4.127) 9.131 17.377 ( 1.310 0.000 -16.457) 16.509 17.855 ( 21.028 0.000 5.397) 21.710 18.089 ( 25.817 0.000 21.731) 33.746 ======================= Grid point 160 (73/108) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -9.561 0.000 17.737) 20.149 1.247 ( -16.709 0.000 24.780) 29.887 1.448 ( -8.448 0.000 -11.558) 14.316 1.731 ( -16.846 0.000 -17.076) 23.987 1.947 ( -26.069 0.000 34.840) 43.513 2.431 ( -2.226 0.000 15.177) 15.339 2.870 ( 4.574 0.000 -10.005) 11.001 2.951 ( 4.890 0.000 12.038) 12.994 2.969 ( -6.166 0.000 -24.053) 24.831 3.340 ( 16.776 0.000 -9.172) 19.120 3.406 ( 10.275 0.000 5.072) 11.459 3.677 ( -3.748 0.000 2.614) 4.570 3.763 ( 0.473 0.000 -2.440) 2.485 3.947 ( 12.937 0.000 -12.664) 18.104 4.292 ( -7.698 0.000 -5.574) 9.504 4.326 ( -13.859 0.000 -3.183) 14.219 4.389 ( -15.827 0.000 5.116) 16.633 4.481 ( -7.096 0.000 8.686) 11.216 4.718 ( -10.734 0.000 -5.097) 11.883 4.802 ( -9.989 0.000 -6.051) 11.679 4.823 ( -6.177 0.000 0.992) 6.256 5.058 ( -2.825 0.000 -2.146) 3.548 5.149 ( -5.945 0.000 6.880) 9.093 5.386 ( 2.206 0.000 -6.074) 6.462 5.556 ( -14.571 0.000 -1.715) 14.671 5.701 ( -10.235 0.000 7.091) 12.452 5.970 ( 15.752 0.000 -2.193) 15.904 5.997 ( 9.721 0.000 -1.895) 9.904 6.095 ( 2.640 0.000 -2.990) 3.989 6.274 ( 7.132 0.000 -7.702) 10.497 6.438 ( 3.092 0.000 -3.469) 4.647 6.480 ( 5.944 0.000 3.788) 7.048 6.539 ( 4.788 0.000 2.621) 5.459 6.640 ( -4.011 0.000 -7.160) 8.207 6.676 ( 1.659 0.000 -1.996) 2.595 6.788 ( 10.915 0.000 1.240) 10.985 6.963 ( -3.473 0.000 -1.022) 3.620 7.071 ( -3.076 0.000 -1.230) 3.313 7.181 ( 5.440 0.000 -0.563) 5.469 7.305 ( -5.039 0.000 0.674) 5.084 7.353 ( -5.601 0.000 1.396) 5.772 7.583 ( -8.033 0.000 -1.296) 8.136 7.863 ( 8.749 0.000 4.025) 9.630 7.921 ( 6.339 0.000 9.174) 11.151 8.047 ( 5.648 0.000 14.239) 15.319 8.120 ( 5.371 0.000 -2.225) 5.814 8.251 ( 0.141 0.000 1.695) 1.701 8.363 ( 5.009 0.000 3.803) 6.289 8.528 ( 5.859 0.000 -5.249) 7.866 8.563 ( 6.365 0.000 4.446) 7.764 8.658 ( -5.814 0.000 1.139) 5.924 8.772 ( -2.281 0.000 0.965) 2.477 9.007 ( -7.366 0.000 0.442) 7.379 9.123 ( 5.185 0.000 0.408) 5.201 9.147 ( 3.288 0.000 -1.773) 3.735 9.179 ( -10.256 0.000 0.201) 10.258 9.473 ( 6.896 0.000 0.847) 6.948 9.577 ( -7.076 0.000 6.282) 9.462 9.698 ( 9.158 0.000 -0.947) 9.207 9.746 ( -8.326 0.000 -1.363) 8.437 9.865 ( -9.190 0.000 5.172) 10.545 10.122 ( 5.377 0.000 0.675) 5.419 10.246 ( -4.821 0.000 -1.615) 5.085 10.281 ( -0.212 0.000 -1.710) 1.723 10.329 ( -2.553 0.000 3.665) 4.466 10.512 ( -7.421 0.000 -0.922) 7.478 10.683 ( -1.986 0.000 1.697) 2.612 10.782 ( -6.535 0.000 0.184) 6.538 10.823 ( -5.582 0.000 -2.858) 6.271 10.836 ( 4.701 0.000 -8.040) 9.314 11.220 ( -5.724 0.000 3.325) 6.620 11.261 ( -2.743 0.000 -4.665) 5.411 11.373 ( -3.090 0.000 4.784) 5.695 11.508 ( -0.187 0.000 -3.790) 3.794 11.760 ( 5.451 0.000 -1.473) 5.647 11.798 ( -4.704 0.000 1.140) 4.840 11.812 ( -0.783 0.000 -4.852) 4.915 11.940 ( -7.037 0.000 3.123) 7.699 11.974 ( 3.097 0.000 0.046) 3.098 12.109 ( 6.856 0.000 -2.470) 7.287 12.279 ( -4.108 0.000 1.529) 4.383 12.289 ( 1.859 0.000 -4.112) 4.513 12.503 ( 3.793 0.000 0.219) 3.799 12.670 ( -0.433 0.000 -4.480) 4.500 12.708 ( -0.840 0.000 -0.590) 1.027 12.823 ( -4.413 0.000 -0.470) 4.438 13.021 ( -1.336 0.000 0.433) 1.404 13.041 ( 3.080 0.000 -7.644) 8.242 13.118 ( 6.336 0.000 -7.132) 9.540 13.187 ( 4.096 0.000 -3.370) 5.304 13.415 ( 1.519 0.000 -6.704) 6.874 13.442 ( -1.265 0.000 -1.173) 1.725 13.767 ( -1.637 0.000 -3.797) 4.134 13.772 ( -5.135 0.000 7.103) 8.765 14.200 ( 1.523 0.000 7.373) 7.528 14.460 ( 2.091 0.000 8.986) 9.226 14.628 ( -0.881 0.000 7.384) 7.437 14.711 ( 5.367 0.000 13.673) 14.688 14.954 ( 2.255 0.000 -10.356) 10.598 15.107 ( 13.683 0.000 -6.256) 15.045 15.888 ( -6.453 0.000 -8.361) 10.561 15.947 ( -21.873 0.000 3.864) 22.212 16.594 ( 0.101 0.000 13.072) 13.073 16.790 ( -3.837 0.000 -3.298) 5.059 16.987 ( -8.303 0.000 2.954) 8.813 17.276 ( -0.677 0.000 -19.122) 19.134 18.301 ( 19.249 0.000 9.867) 21.631 18.734 ( 25.864 0.000 5.420) 26.426 ======================= Grid point 161 (74/108) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -3.499 6.957 21.216) 22.600 1.212 ( -1.173 23.355 15.426) 28.015 1.509 ( -5.456 19.215 -14.875) 24.904 1.528 ( 9.362 8.571 -15.780) 20.251 2.095 ( 4.656 8.930 37.637) 38.962 2.590 ( -1.949 6.610 11.118) 13.081 2.701 ( -4.670 5.746 -15.003) 16.730 2.926 ( 0.179 1.623 -14.571) 14.662 3.085 ( -0.816 0.706 9.567) 9.628 3.377 ( 3.827 -4.341 -17.462) 18.395 3.567 ( 5.484 0.844 3.602) 6.615 3.643 ( -1.799 -1.594 -3.805) 4.501 3.917 ( 15.073 4.540 2.661) 15.966 3.971 ( -18.054 3.269 -2.823) 18.563 4.096 ( -15.466 1.674 5.796) 16.601 4.206 ( 11.843 1.682 -3.428) 12.444 4.378 ( -8.436 6.132 2.303) 10.680 4.434 ( 9.795 3.766 -3.385) 11.026 4.511 ( -2.859 0.730 1.730) 3.421 4.582 ( -1.618 3.701 -3.780) 5.532 4.884 ( 5.872 -0.023 3.645) 6.911 4.934 ( -5.871 -0.814 -1.488) 6.111 5.238 ( -1.864 7.685 5.883) 9.856 5.352 ( -1.527 3.878 -4.676) 6.264 5.516 ( 8.458 -0.707 1.106) 8.559 5.532 ( -7.021 0.740 -0.076) 7.060 6.096 ( 0.047 1.435 0.422) 1.496 6.154 ( 1.697 3.133 -5.142) 6.256 6.224 ( 5.426 -4.428 1.434) 7.148 6.243 ( -4.514 -5.883 -0.454) 7.429 6.415 ( 0.542 -2.005 -1.259) 2.429 6.441 ( -3.689 2.163 -4.585) 6.270 6.582 ( 4.246 -3.157 1.366) 5.464 6.612 ( -0.854 -3.111 -1.715) 3.653 6.854 ( -2.553 0.922 1.811) 3.263 6.884 ( 5.127 5.839 -0.413) 7.781 6.953 ( 2.249 0.261 0.669) 2.361 6.986 ( -2.913 -0.967 -2.214) 3.785 7.182 ( 2.317 -6.072 2.349) 6.910 7.217 ( -3.884 -5.408 -0.889) 6.718 7.359 ( 1.171 2.951 4.740) 5.705 7.476 ( -1.496 3.082 -6.306) 7.177 7.881 ( -1.386 -6.140 5.167) 8.144 8.000 ( 0.716 -8.831 -6.319) 10.882 8.168 ( 1.043 4.381 7.267) 8.549 8.190 ( 5.264 -4.345 5.989) 9.080 8.318 ( -3.406 -15.267 2.166) 15.792 8.337 ( 11.715 -8.360 -0.702) 14.410 8.546 ( -4.633 -2.138 1.720) 5.384 8.573 ( 2.054 -2.336 -2.618) 4.066 8.633 ( 0.271 -4.592 4.102) 6.163 8.742 ( 1.586 2.338 -4.996) 5.739 8.870 ( -3.671 -1.148 -0.368) 3.863 8.896 ( 2.851 -1.650 -2.945) 4.419 9.249 ( -2.908 5.322 4.231) 7.394 9.315 ( 2.016 3.303 -2.642) 4.686 9.458 ( -1.714 -1.533 3.903) 4.530 9.541 ( -0.578 -2.811 -4.274) 5.147 9.675 ( 4.697 0.690 0.987) 4.849 9.693 ( -0.239 -1.077 -0.752) 1.335 9.951 ( -2.405 -4.706 1.188) 5.417 9.967 ( 3.859 -3.120 -0.050) 4.963 10.206 ( 1.506 -2.499 1.032) 3.095 10.227 ( -3.152 -2.124 -0.498) 3.833 10.369 ( -1.250 0.357 3.790) 4.007 10.433 ( -0.624 -0.820 -2.422) 2.632 10.584 ( -3.659 -0.229 7.699) 8.528 10.713 ( 1.044 3.166 -4.232) 5.388 10.747 ( -0.463 0.656 4.482) 4.553 10.867 ( 2.580 -0.692 -7.755) 8.202 11.160 ( -5.545 1.130 2.791) 6.309 11.223 ( 5.343 0.005 -2.761) 6.014 11.435 ( -1.762 2.080 1.755) 3.241 11.471 ( 1.856 -3.367 -1.870) 4.275 11.715 ( -2.869 -0.420 5.363) 6.097 11.792 ( 0.250 0.334 -1.191) 1.262 11.868 ( 4.628 -1.037 -3.198) 5.720 11.886 ( -1.552 5.002 -5.898) 7.888 12.039 ( -6.102 2.061 8.702) 10.826 12.203 ( 4.631 3.230 -7.873) 9.688 12.228 ( -2.252 1.674 2.922) 4.051 12.305 ( 0.380 1.357 -4.592) 4.804 12.555 ( 0.550 -1.812 3.077) 3.613 12.623 ( -0.829 -0.290 -3.599) 3.704 12.733 ( -2.104 7.745 5.172) 9.548 12.839 ( -2.000 8.357 -5.168) 10.027 13.013 ( -2.085 3.655 4.171) 5.925 13.124 ( 3.012 3.845 -5.017) 7.002 13.164 ( 3.600 -2.497 -1.457) 4.617 13.179 ( -3.245 1.445 -4.319) 5.592 13.379 ( -4.167 1.630 1.745) 4.803 13.454 ( 2.453 2.247 -4.890) 5.915 13.647 ( -0.512 -4.745 8.936) 10.130 13.791 ( 2.191 -0.508 -6.047) 6.452 14.315 ( 4.897 -0.483 8.424) 9.756 14.465 ( -4.173 0.733 -6.488) 7.749 14.771 ( 2.295 7.874 11.981) 14.520 14.889 ( -1.515 -1.027 14.577) 14.691 15.029 ( 0.910 7.843 -5.250) 9.481 15.244 ( 0.791 -2.384 -14.392) 14.609 15.564 ( -6.158 -5.268 6.596) 10.449 15.718 ( 3.957 -7.394 -8.291) 11.793 16.648 ( 0.039 -1.888 10.942) 11.103 16.773 ( 3.280 -2.014 -2.325) 4.497 16.892 ( -2.502 0.427 5.232) 5.815 17.103 ( -1.532 -2.203 -15.741) 15.968 18.519 ( 5.916 -11.972 13.641) 19.089 18.729 ( -6.958 -13.055 -7.864) 16.754 ======================= Grid point 162 (75/108) ======================= q-point: ( 0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 8.057 14.125 16.735) 23.334 1.392 ( 5.136 18.560 -11.638) 22.501 1.493 ( 17.781 12.603 10.400) 24.149 1.790 ( 20.090 9.669 -14.443) 26.565 2.473 ( 8.418 5.041 22.000) 24.089 2.553 ( 13.272 4.351 -10.773) 17.639 2.689 ( -1.617 6.779 13.099) 14.838 2.750 ( -8.519 1.977 -13.513) 16.096 3.079 ( -5.946 -1.567 8.585) 10.560 3.264 ( -2.562 0.681 -14.322) 14.565 3.553 ( -8.980 0.675 -8.848) 12.624 3.661 ( -4.606 0.169 -0.408) 4.627 3.732 ( -1.701 1.730 2.978) 3.841 3.840 ( -4.998 4.776 6.619) 9.571 4.166 ( -0.010 0.644 4.117) 4.167 4.327 ( 16.930 4.885 2.308) 17.771 4.497 ( 13.453 1.681 -3.063) 13.900 4.611 ( 7.747 0.024 4.431) 8.924 4.652 ( 10.693 3.409 -2.322) 11.461 4.702 ( 11.991 0.568 1.800) 12.138 4.882 ( 3.709 0.312 -4.452) 5.803 5.005 ( 4.712 0.425 2.688) 5.441 5.294 ( 0.230 4.087 7.368) 8.429 5.341 ( 3.097 5.776 -3.005) 7.210 5.525 ( 7.830 -0.449 0.279) 7.848 5.731 ( 10.237 -2.567 0.548) 10.568 5.923 ( -17.080 -1.787 -0.578) 17.183 6.033 ( -6.098 2.152 0.049) 6.467 6.159 ( -5.270 5.187 -5.408) 9.161 6.222 ( -7.091 1.534 -1.199) 7.353 6.378 ( -3.898 -1.768 0.843) 4.363 6.400 ( 3.471 -5.507 3.550) 7.414 6.549 ( -5.971 -1.048 -4.049) 7.290 6.617 ( -4.983 -0.322 0.257) 5.000 6.699 ( -5.269 -3.775 -1.849) 6.741 6.821 ( -9.386 1.334 -1.610) 9.616 6.961 ( -0.810 0.990 -0.987) 1.616 7.016 ( 2.242 -2.223 0.690) 3.231 7.162 ( 1.133 -2.940 1.231) 3.383 7.304 ( 0.483 -0.963 1.337) 1.717 7.419 ( 8.832 3.788 -0.537) 9.625 7.540 ( 9.106 -0.026 -0.503) 9.120 7.835 ( -6.417 -6.982 3.222) 10.016 7.934 ( -4.213 -4.411 -1.095) 6.197 8.080 ( -8.225 -9.640 -6.765) 14.365 8.170 ( -2.516 -1.206 0.667) 2.869 8.280 ( -7.863 -4.304 -3.376) 9.579 8.321 ( 3.265 -0.556 -3.047) 4.500 8.499 ( -2.840 -4.501 0.961) 5.408 8.650 ( 0.061 -3.590 -2.304) 4.266 8.699 ( 5.222 1.205 1.090) 5.469 8.756 ( -2.381 0.518 -6.149) 6.614 8.910 ( 8.801 -6.994 2.045) 11.426 9.038 ( 5.891 -4.234 0.718) 7.290 9.196 ( -5.209 4.535 1.099) 6.993 9.261 ( -1.316 4.456 1.090) 4.772 9.447 ( -3.506 0.688 2.470) 4.343 9.578 ( 5.167 -7.206 -1.158) 8.942 9.699 ( -3.093 -2.671 -2.632) 4.861 9.756 ( 1.805 -1.156 -1.184) 2.449 9.898 ( 6.519 -6.793 -1.386) 9.516 10.089 ( -1.597 0.432 -0.507) 1.730 10.134 ( 3.287 -3.086 -1.730) 4.829 10.261 ( 2.768 -3.649 -0.304) 4.591 10.415 ( 1.941 -0.367 2.265) 3.005 10.498 ( 9.078 -3.297 1.089) 9.719 10.601 ( 1.947 4.448 5.774) 7.544 10.695 ( -0.660 2.523 -0.750) 2.714 10.811 ( 2.730 1.040 1.513) 3.289 10.910 ( 4.559 0.019 -5.837) 7.407 11.108 ( -1.006 -2.043 5.027) 5.518 11.319 ( 5.984 1.294 -3.293) 6.951 11.445 ( 2.044 -1.480 -1.280) 2.830 11.495 ( 0.687 -2.152 0.182) 2.266 11.701 ( -2.525 0.886 6.925) 7.424 11.804 ( 2.008 1.883 -1.261) 3.028 11.830 ( 1.043 2.632 -5.911) 6.554 11.894 ( -2.777 -2.363 1.438) 3.920 11.949 ( -6.015 2.719 5.095) 8.338 12.178 ( 0.166 6.537 0.877) 6.597 12.269 ( 1.190 0.041 -1.798) 2.157 12.336 ( 3.742 0.512 -2.555) 4.560 12.544 ( -3.363 -2.246 2.857) 4.951 12.566 ( -2.649 1.568 -3.126) 4.387 12.692 ( -1.748 6.344 3.635) 7.518 12.899 ( 4.472 6.953 4.428) 9.379 12.992 ( -3.084 2.120 2.901) 4.736 13.068 ( -4.503 3.170 -1.467) 5.699 13.129 ( 1.390 5.930 -6.698) 9.053 13.202 ( -0.492 -1.635 -1.201) 2.087 13.285 ( -5.436 1.637 3.784) 6.823 13.442 ( -2.202 2.169 0.364) 3.112 13.719 ( 3.947 -1.174 2.808) 4.984 13.830 ( 4.852 -4.362 -5.798) 8.729 14.313 ( -5.626 -1.372 -5.071) 7.697 14.471 ( 4.738 -0.104 4.632) 6.627 14.774 ( -8.083 -0.998 2.365) 8.481 14.890 ( -1.274 9.391 12.378) 15.590 14.981 ( -6.641 2.981 -1.839) 7.509 15.000 ( -9.392 0.698 -12.376) 15.552 15.700 ( 10.119 -3.154 4.283) 11.432 15.925 ( 19.060 -9.049 -3.588) 21.402 16.703 ( 1.387 -1.515 5.815) 6.167 16.808 ( 1.109 -4.526 -9.490) 10.572 16.940 ( 1.785 -0.327 9.653) 9.823 17.060 ( 5.841 -0.153 -5.311) 7.896 18.351 ( -23.261 -6.619 -3.066) 24.378 18.549 ( -10.949 -11.899 7.367) 17.769 ======================= Grid point 163 (76/108) ======================= q-point: ( 0.29 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 11.209 19.021 -11.312) 24.807 1.613 ( 11.678 12.333 10.908) 20.185 1.878 ( 10.993 4.656 -10.411) 15.840 2.019 ( 15.167 10.631 7.907) 20.139 2.439 ( -11.579 1.335 -12.649) 17.200 2.546 ( -10.913 5.890 12.155) 17.364 2.750 ( -12.791 -1.099 7.997) 15.125 2.926 ( 18.497 6.724 -7.680) 21.126 3.163 ( 21.684 3.731 4.133) 22.388 3.198 ( 1.100 1.668 -3.297) 3.855 3.341 ( 0.046 1.376 -9.431) 9.530 3.508 ( -10.846 3.584 8.933) 14.501 3.701 ( 2.922 2.074 4.002) 5.372 3.978 ( 9.958 4.313 -0.808) 10.882 4.309 ( 9.660 -4.293 2.853) 10.949 4.618 ( 5.947 2.428 2.159) 6.776 4.666 ( 5.173 4.021 -0.532) 6.574 4.751 ( 7.268 -0.203 -5.168) 8.920 4.835 ( 8.566 -1.452 2.006) 8.917 4.914 ( 10.916 -1.674 -0.327) 11.049 5.069 ( 12.359 -1.855 -1.236) 12.559 5.156 ( 9.040 -0.479 0.589) 9.071 5.297 ( -1.884 7.255 2.819) 8.008 5.372 ( -0.917 3.685 -2.796) 4.715 5.544 ( -15.868 0.134 1.335) 15.924 5.691 ( 2.756 -1.764 1.772) 3.721 5.770 ( -9.818 0.635 6.205) 11.632 5.942 ( -1.821 0.040 -4.862) 5.192 6.019 ( -2.685 -0.713 1.539) 3.176 6.169 ( -3.432 0.661 -2.897) 4.539 6.271 ( -7.527 1.430 1.424) 7.793 6.387 ( -4.518 -1.869 0.823) 4.958 6.456 ( -4.870 -4.912 0.093) 6.918 6.549 ( 1.341 0.625 -0.486) 1.557 6.588 ( -0.937 0.742 1.696) 2.075 6.668 ( -4.679 3.734 0.685) 6.025 6.923 ( -2.373 -3.882 -0.633) 4.594 7.059 ( 2.450 -2.626 0.413) 3.615 7.208 ( 4.030 -0.141 1.203) 4.208 7.381 ( 5.153 -3.117 3.732) 7.085 7.574 ( 6.320 7.430 -1.425) 9.858 7.652 ( -3.571 -2.394 -1.886) 4.695 7.722 ( -2.657 -3.461 -3.800) 5.785 7.809 ( -4.952 -5.471 -1.608) 7.552 7.938 ( -3.081 -6.040 -0.911) 6.841 8.075 ( -4.111 -2.193 -6.301) 7.836 8.225 ( -1.105 -3.411 1.281) 3.808 8.326 ( -0.533 -4.653 -1.115) 4.814 8.455 ( 3.195 0.715 -7.800) 8.459 8.578 ( -3.857 5.183 -3.619) 7.405 8.726 ( 0.514 -3.829 -0.609) 3.911 8.801 ( 4.282 1.075 0.362) 4.429 9.004 ( 0.436 -4.564 1.665) 4.878 9.029 ( -6.194 0.312 2.188) 6.577 9.164 ( 3.801 -0.899 0.367) 3.923 9.244 ( -5.201 -1.018 3.902) 6.582 9.348 ( -6.430 1.350 -1.265) 6.691 9.479 ( -9.716 -1.313 -3.206) 10.315 9.724 ( 6.859 -5.809 -3.041) 9.489 9.862 ( -3.127 0.665 0.604) 3.254 9.919 ( 7.571 -4.750 2.689) 9.334 10.145 ( 5.705 -9.321 -0.332) 10.933 10.273 ( 8.847 -0.841 -2.360) 9.195 10.318 ( 5.082 -2.688 -3.810) 6.897 10.448 ( 0.759 -0.872 0.600) 1.302 10.642 ( 4.801 -2.900 -0.458) 5.627 10.677 ( 0.304 0.776 0.416) 0.931 10.754 ( 5.305 2.423 0.534) 5.857 10.843 ( 1.716 -1.157 1.146) 2.366 10.970 ( 5.018 4.581 -0.006) 6.795 11.159 ( 0.765 -2.146 6.565) 6.949 11.382 ( 1.232 -6.710 -4.946) 8.427 11.465 ( 3.512 0.370 -5.129) 6.228 11.507 ( -1.029 0.415 1.623) 1.966 11.705 ( -0.911 1.441 7.682) 7.869 11.805 ( -8.002 0.622 8.661) 11.808 11.826 ( 1.874 3.388 -2.411) 4.561 11.897 ( 2.110 1.118 -0.998) 2.588 11.916 ( 6.791 -0.347 -0.943) 6.865 12.210 ( -0.965 1.020 1.669) 2.181 12.247 ( -0.108 2.322 -2.444) 3.373 12.353 ( -1.108 1.451 -3.248) 3.726 12.497 ( -2.734 -3.866 2.336) 5.280 12.517 ( 0.113 2.472 -1.666) 2.983 12.698 ( -0.934 0.488 4.169) 4.300 12.892 ( -5.924 0.397 -0.380) 5.949 12.968 ( -0.130 6.534 1.715) 6.756 13.039 ( -1.852 6.570 1.017) 6.902 13.096 ( -1.146 4.933 0.780) 5.124 13.158 ( -1.046 5.687 -1.570) 5.992 13.245 ( -2.419 -2.328 4.849) 5.898 13.403 ( -1.806 2.543 2.272) 3.859 13.816 ( 3.724 1.699 2.473) 4.782 13.878 ( 3.430 -7.651 -7.188) 11.044 14.211 ( -1.856 -2.845 -1.001) 3.541 14.479 ( -6.414 -0.068 -2.042) 6.732 14.705 ( 1.222 -2.041 3.026) 3.849 14.757 ( -5.105 1.597 -11.907) 13.053 14.822 ( -7.756 6.614 3.147) 10.667 14.955 ( -0.716 8.570 4.841) 9.868 15.919 ( 9.524 -2.287 4.384) 10.731 16.314 ( 20.953 -9.529 -1.765) 23.085 16.699 ( -2.737 -4.620 -11.846) 13.006 16.801 ( 2.551 -2.594 8.086) 8.867 17.065 ( 4.584 -0.858 10.552) 11.537 17.197 ( 8.402 -1.377 -2.579) 8.896 17.886 ( -21.854 -1.977 -1.854) 22.021 18.240 ( -20.529 -8.267 -2.404) 22.261 ======================= Grid point 164 (77/108) ======================= q-point: ( 0.43 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 15.861 13.232 -8.482) 22.329 1.804 ( -4.162 8.046 1.311) 9.153 1.994 ( 7.073 8.715 6.718) 13.081 2.177 ( -12.054 8.314 3.693) 15.102 2.232 ( 6.567 2.169 -17.286) 18.618 2.413 ( -18.023 5.334 1.657) 18.868 2.524 ( 6.691 2.308 18.684) 19.979 2.995 ( -3.156 -0.034 -5.395) 6.250 3.178 ( -3.212 7.388 -3.130) 8.642 3.203 ( -4.186 5.175 -4.599) 8.090 3.581 ( 5.299 5.951 14.093) 16.190 3.720 ( 24.690 3.737 -2.934) 25.143 4.015 ( 15.902 -2.711 -4.047) 16.631 4.146 ( 16.449 2.018 -0.486) 16.580 4.389 ( -12.063 1.318 3.446) 12.615 4.604 ( -3.397 1.916 -4.462) 5.926 4.721 ( -1.202 1.237 1.148) 2.072 4.751 ( -3.665 0.370 -1.656) 4.039 4.889 ( -6.080 0.146 4.082) 7.325 4.996 ( -1.351 -2.264 -7.269) 7.732 5.150 ( 1.315 0.173 6.400) 6.536 5.245 ( 3.687 0.457 -0.830) 3.807 5.354 ( 11.763 2.439 -0.833) 12.042 5.479 ( 10.286 -0.694 -0.588) 10.326 5.492 ( 4.995 -2.363 3.671) 6.634 5.647 ( -4.141 0.711 2.573) 4.927 5.709 ( -3.763 -2.718 0.180) 4.645 5.730 ( -15.416 -0.355 -1.703) 15.514 6.032 ( 0.761 -3.296 0.248) 3.391 6.083 ( -2.072 -0.625 -0.384) 2.198 6.230 ( 0.150 3.186 1.751) 3.639 6.258 ( -3.623 -0.355 -0.165) 3.644 6.317 ( -2.453 1.789 -1.596) 3.430 6.498 ( -6.832 2.787 -2.211) 7.703 6.648 ( 0.053 -0.288 2.421) 2.439 6.672 ( 1.077 -2.895 0.759) 3.181 7.027 ( 13.491 -4.636 1.848) 14.384 7.121 ( 1.885 -2.462 1.403) 3.403 7.314 ( 2.951 -2.334 4.178) 5.622 7.444 ( -5.803 -4.346 0.067) 7.251 7.493 ( -4.708 -1.972 -0.445) 5.124 7.554 ( -0.724 -0.457 -3.745) 3.841 7.712 ( 3.572 7.066 1.089) 7.992 7.816 ( -0.808 -0.033 0.707) 1.074 7.880 ( -0.411 -4.141 -3.275) 5.296 7.974 ( -2.586 -0.957 -5.348) 6.017 8.200 ( -1.545 -5.374 0.527) 5.616 8.279 ( -2.250 -2.129 -6.815) 7.486 8.494 ( 3.728 2.558 -6.030) 7.536 8.525 ( -0.877 2.763 -0.924) 3.043 8.778 ( 5.277 -1.308 1.107) 5.549 8.871 ( 1.589 1.108 2.180) 2.916 8.925 ( -3.549 -1.497 0.425) 3.875 9.004 ( -2.406 -3.208 4.248) 5.842 9.116 ( -6.540 -3.160 0.758) 7.302 9.190 ( -7.419 -0.082 -1.216) 7.519 9.257 ( 3.562 -1.579 0.808) 3.979 9.344 ( -2.355 -2.208 -3.311) 4.624 9.798 ( 2.301 -2.374 -1.922) 3.825 9.820 ( -0.195 1.484 -1.749) 2.302 10.089 ( 6.835 -4.520 1.636) 8.356 10.185 ( -2.210 -6.461 1.976) 7.108 10.380 ( 2.728 -5.264 1.684) 6.163 10.423 ( 3.118 -2.460 -2.046) 4.468 10.476 ( 3.626 -0.539 1.549) 3.979 10.678 ( -3.252 -6.891 -4.361) 8.779 10.693 ( 2.013 0.794 -0.256) 2.179 10.727 ( -2.709 3.706 0.668) 4.639 10.945 ( 6.721 -0.161 0.781) 6.768 11.050 ( -2.060 -0.176 1.230) 2.406 11.223 ( 7.313 0.552 1.579) 7.502 11.365 ( -1.226 -2.879 -1.394) 3.426 11.434 ( -5.918 3.320 1.687) 6.992 11.491 ( 1.335 0.221 -6.808) 6.941 11.728 ( -2.354 2.227 8.295) 8.906 11.774 ( 1.571 1.227 6.208) 6.520 11.864 ( 2.638 -1.295 0.838) 3.056 11.968 ( 3.181 -2.286 -0.479) 3.946 12.068 ( 8.455 -0.543 -2.077) 8.723 12.147 ( -1.923 -0.999 -0.966) 2.372 12.237 ( -3.021 -0.582 -1.648) 3.490 12.262 ( -3.971 1.382 -3.782) 5.655 12.483 ( -0.590 -1.168 2.714) 3.013 12.534 ( 2.232 1.686 -3.164) 4.223 12.696 ( -1.844 -2.086 4.979) 5.705 12.796 ( -2.606 0.388 -2.306) 3.502 12.966 ( -0.403 6.865 0.769) 6.920 12.979 ( -1.619 6.841 -1.351) 7.158 13.103 ( -1.378 7.453 4.757) 8.949 13.154 ( 2.163 5.706 -3.218) 6.899 13.244 ( -1.327 -3.822 7.841) 8.823 13.400 ( 0.246 1.359 -0.539) 1.483 13.846 ( -1.153 -0.190 1.035) 1.561 13.901 ( 2.128 -4.540 -3.347) 6.028 14.216 ( -0.545 -2.373 3.387) 4.172 14.347 ( -2.209 -3.025 -3.475) 5.109 14.622 ( -5.717 6.149 -1.670) 8.561 14.658 ( -1.976 1.154 -6.440) 6.835 14.855 ( 5.967 5.116 2.778) 8.337 14.949 ( -1.939 6.425 1.883) 6.971 16.119 ( 7.872 -1.337 6.442) 10.259 16.481 ( -4.912 -2.905 -10.073) 11.577 16.755 ( 16.755 -12.738 -1.895) 21.132 16.844 ( -6.389 -7.316 11.640) 15.160 17.249 ( 6.835 1.162 9.154) 11.483 17.325 ( 7.947 -1.969 -1.465) 8.318 17.532 ( -11.474 1.179 -4.348) 12.327 17.809 ( -19.198 -3.905 -8.050) 21.181 ======================= Grid point 165 (78/108) ======================= q-point: (-0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -19.146 11.114 4.901) 22.674 1.767 ( -17.628 8.284 6.763) 20.618 1.990 ( 8.132 5.365 3.352) 10.303 2.114 ( -10.242 10.460 -4.334) 15.267 2.222 ( 8.146 8.641 1.685) 11.994 2.482 ( 20.929 1.933 -7.171) 22.208 2.812 ( 7.483 0.890 12.795) 14.850 2.870 ( 0.076 0.039 -12.428) 12.428 2.950 ( -11.501 8.902 5.165) 15.434 3.348 ( 13.783 7.159 -8.444) 17.678 3.647 ( -23.772 5.213 3.220) 24.549 3.815 ( -16.098 0.683 14.550) 21.709 3.861 ( 0.263 3.610 -11.877) 12.416 4.095 ( -19.358 1.702 4.860) 20.031 4.472 ( 7.740 -1.087 -0.643) 7.843 4.533 ( -2.342 0.514 -2.746) 3.646 4.726 ( 3.852 1.940 0.015) 4.313 4.747 ( 1.249 2.491 0.152) 2.790 4.875 ( 2.587 -1.455 4.336) 5.255 4.982 ( -0.444 -2.678 -3.149) 4.158 5.193 ( 2.800 0.597 1.428) 3.199 5.274 ( -0.187 -0.292 -3.062) 3.081 5.351 ( -14.098 2.713 -1.115) 14.400 5.444 ( -8.871 -1.995 2.718) 9.490 5.575 ( 0.305 -3.017 -1.988) 3.626 5.642 ( 3.957 -1.767 0.451) 4.357 5.706 ( 7.777 -0.106 0.106) 7.778 5.733 ( 11.618 -1.532 -1.397) 11.802 6.019 ( -2.997 1.416 1.555) 3.661 6.066 ( 0.030 -1.857 1.522) 2.401 6.232 ( 6.314 -1.544 1.748) 6.731 6.304 ( 2.527 3.557 -3.727) 5.739 6.330 ( -2.070 2.327 -3.610) 4.767 6.462 ( 11.505 1.894 0.720) 11.682 6.670 ( 2.446 -4.148 0.650) 4.859 6.714 ( 1.838 -3.235 -2.658) 4.573 7.000 ( -12.807 -3.314 3.050) 13.576 7.190 ( -1.837 -0.917 -3.031) 3.661 7.347 ( 3.624 -4.791 2.605) 6.548 7.405 ( 0.253 -2.791 0.196) 2.809 7.500 ( 3.524 -3.688 0.191) 5.104 7.571 ( 3.810 0.514 -3.082) 4.927 7.730 ( -3.945 2.785 -0.595) 4.866 7.803 ( 0.683 4.558 0.286) 4.618 7.845 ( -3.050 -2.515 0.463) 3.980 7.931 ( 1.920 -1.403 -2.899) 3.750 8.170 ( -2.213 -3.338 1.602) 4.313 8.242 ( 2.648 -0.141 -1.583) 3.088 8.465 ( -4.182 -0.995 -2.557) 5.002 8.521 ( 1.018 2.226 -1.625) 2.938 8.796 ( -4.432 -2.313 -0.590) 5.034 8.898 ( 3.840 1.844 0.468) 4.285 8.931 ( -3.749 -1.556 -0.370) 4.076 9.004 ( 3.634 -1.355 2.379) 4.550 9.109 ( 5.695 -1.037 4.757) 7.492 9.129 ( 1.785 -1.843 2.321) 3.459 9.278 ( -1.943 -3.133 -1.046) 3.832 9.337 ( 3.014 -1.507 -2.348) 4.107 9.782 ( -0.943 -1.482 -1.420) 2.258 9.842 ( 2.476 1.030 -2.966) 3.998 10.102 ( -6.723 -4.347 0.841) 8.050 10.177 ( 0.240 -5.367 2.177) 5.796 10.345 ( -6.520 -4.104 2.958) 8.253 10.432 ( -5.426 -5.264 0.095) 7.560 10.489 ( -4.606 -2.169 -1.041) 5.196 10.588 ( 0.955 -0.194 5.291) 5.380 10.684 ( -1.824 0.937 0.120) 2.054 10.743 ( 2.665 0.073 -1.326) 2.978 10.943 ( -4.023 -2.192 -0.173) 4.585 11.132 ( 5.990 1.193 -4.952) 7.863 11.228 ( -5.812 -2.203 1.725) 6.450 11.381 ( -2.553 -2.609 -0.636) 3.705 11.386 ( 3.913 1.106 1.702) 4.408 11.477 ( 2.525 5.463 -4.236) 7.360 11.747 ( -1.505 2.223 5.712) 6.312 11.835 ( 2.314 2.778 0.940) 3.736 11.900 ( -1.725 -5.214 1.333) 5.651 11.973 ( 0.865 -3.541 -2.438) 4.385 12.076 ( -5.806 -0.069 -4.185) 7.158 12.164 ( 1.482 0.212 -2.394) 2.823 12.198 ( 1.736 0.765 1.827) 2.634 12.263 ( 7.154 -0.373 -4.158) 8.283 12.479 ( -1.521 2.410 1.964) 3.461 12.544 ( 0.971 -2.278 -2.717) 3.676 12.700 ( 0.038 0.613 3.602) 3.654 12.790 ( 2.658 -0.737 -1.003) 2.935 12.950 ( 0.804 5.343 0.001) 5.403 13.008 ( 3.538 7.377 -1.975) 8.417 13.098 ( -1.111 5.615 2.315) 6.174 13.196 ( 4.229 7.533 -5.008) 9.986 13.287 ( 0.173 -5.001 9.081) 10.369 13.399 ( 1.850 -1.777 -5.065) 5.677 13.815 ( -4.336 -0.088 3.817) 5.777 13.897 ( 0.102 -0.947 -2.164) 2.364 14.210 ( -1.653 -2.916 6.351) 7.181 14.356 ( 3.709 -3.423 -7.183) 8.779 14.512 ( -5.245 5.031 4.732) 8.672 14.644 ( 2.292 1.344 -1.709) 3.160 14.909 ( -0.779 4.798 -2.668) 5.545 14.991 ( 6.747 8.516 -1.566) 10.977 16.272 ( -8.122 -3.051 -7.158) 11.248 16.297 ( 4.025 -1.296 6.898) 8.091 16.648 ( -17.620 -9.815 8.828) 22.017 17.008 ( 5.965 -12.693 -3.843) 14.542 17.304 ( -6.403 1.207 1.825) 6.766 17.429 ( 3.705 1.037 -4.076) 5.605 17.480 ( -3.986 -3.645 -5.320) 7.581 17.620 ( 17.620 1.421 9.665) 20.147 ======================= Grid point 166 (79/108) ======================= q-point: (-0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -14.922 18.457 10.315) 25.879 1.485 ( -16.534 8.330 21.306) 28.226 1.833 ( -10.209 11.821 -7.465) 17.312 2.166 ( -9.954 3.845 -1.677) 10.802 2.279 ( 3.699 9.531 1.705) 10.365 2.716 ( -21.212 8.109 10.356) 24.959 2.789 ( 9.678 3.286 -8.745) 13.451 2.900 ( 13.600 -0.152 -6.329) 15.001 2.996 ( -17.598 5.129 7.108) 19.660 3.134 ( 13.127 0.653 5.669) 14.313 3.439 ( -13.247 3.789 -11.310) 17.826 3.670 ( 5.008 3.836 0.056) 6.309 3.713 ( -5.272 -3.203 -3.057) 6.884 4.006 ( 2.330 5.836 -2.995) 6.961 4.349 ( -10.053 -4.373 -0.018) 10.963 4.551 ( -0.764 3.571 6.258) 7.246 4.646 ( -11.569 0.504 2.206) 11.788 4.694 ( -9.497 2.548 0.884) 9.872 4.843 ( -6.690 -0.739 0.490) 6.749 4.886 ( -7.246 -1.855 2.785) 7.981 5.098 ( -7.508 -0.256 -1.133) 7.597 5.162 ( -10.578 0.519 -1.987) 10.775 5.294 ( -7.587 -0.754 2.137) 7.918 5.398 ( 6.786 5.556 -6.764) 11.075 5.629 ( 14.950 1.082 -4.426) 15.629 5.695 ( -2.892 -2.649 1.350) 4.147 5.823 ( 1.828 0.179 4.943) 5.273 5.879 ( 3.943 -0.946 -3.198) 5.165 6.034 ( 5.121 0.524 0.315) 5.157 6.142 ( 8.407 -0.603 0.558) 8.447 6.319 ( 6.203 0.526 -2.534) 6.721 6.419 ( 5.353 1.020 -2.089) 5.836 6.459 ( 13.945 -4.888 -1.373) 14.841 6.580 ( -2.052 -0.045 -2.962) 3.603 6.605 ( -5.125 -1.412 -0.928) 5.396 6.766 ( 3.925 -0.498 -7.193) 8.209 6.898 ( 2.971 -4.338 1.812) 5.561 7.098 ( -2.724 0.303 -2.695) 3.844 7.273 ( -7.041 -0.364 -7.196) 10.075 7.435 ( -5.027 -3.963 2.969) 7.057 7.507 ( -4.934 0.091 -0.889) 5.014 7.628 ( -0.547 0.007 0.061) 0.550 7.642 ( 7.066 -1.382 3.822) 8.151 7.793 ( -2.139 -4.327 0.219) 4.832 7.923 ( 6.796 1.034 5.965) 9.101 7.958 ( 0.860 -0.192 1.376) 1.634 8.163 ( -0.232 -5.410 4.080) 6.780 8.341 ( -0.305 2.752 3.574) 4.521 8.355 ( 1.878 -6.657 -2.584) 7.384 8.537 ( 2.366 3.515 -0.295) 4.248 8.737 ( -2.139 -4.328 -1.138) 4.960 8.814 ( -4.901 2.244 -0.996) 5.482 9.006 ( 1.341 -1.260 0.724) 1.977 9.046 ( 3.982 -1.147 1.338) 4.355 9.154 ( -3.246 -0.110 1.658) 3.647 9.289 ( 6.889 -2.949 0.305) 7.500 9.319 ( 4.287 2.109 0.865) 4.856 9.404 ( 8.777 -0.910 3.524) 9.502 9.712 ( -6.103 -2.860 -1.660) 6.941 9.891 ( -0.035 0.447 -2.355) 2.397 9.965 ( -3.309 -6.188 -1.706) 7.222 10.067 ( -11.988 -4.767 5.826) 14.155 10.214 ( -7.794 -4.737 3.185) 9.661 10.305 ( -2.147 -1.099 -1.633) 2.913 10.463 ( -0.914 1.138 -1.058) 1.803 10.610 ( -1.814 -2.271 4.424) 5.293 10.686 ( 0.165 -1.190 2.780) 3.028 10.736 ( -3.577 -0.518 -2.970) 4.679 10.873 ( -2.861 -0.400 -1.401) 3.211 11.000 ( -6.915 1.048 -2.330) 7.372 11.276 ( -6.277 -5.474 0.100) 8.329 11.303 ( 1.056 -1.981 1.147) 2.520 11.421 ( 2.891 2.746 -3.999) 5.647 11.515 ( 0.380 1.487 0.400) 1.586 11.740 ( -1.160 2.607 2.727) 3.947 11.815 ( -3.914 -3.420 0.510) 5.223 11.874 ( -2.243 -3.622 0.255) 4.268 11.948 ( -0.643 2.725 -4.494) 5.295 12.010 ( 4.640 3.197 -8.354) 10.077 12.186 ( -3.918 5.774 3.637) 7.868 12.229 ( 4.529 -0.609 -0.131) 4.572 12.360 ( 3.511 1.662 -4.952) 6.294 12.472 ( 0.372 1.959 1.402) 2.437 12.575 ( 4.247 -5.709 -3.414) 7.892 12.731 ( 1.117 2.009 0.553) 2.364 12.854 ( 3.361 2.227 2.782) 4.899 13.002 ( 4.178 1.162 -2.926) 5.231 13.058 ( 2.281 3.443 -1.257) 4.317 13.101 ( 0.709 6.644 0.492) 6.699 13.240 ( 3.852 7.892 -7.751) 11.713 13.339 ( 2.119 -7.031 0.597) 7.368 13.416 ( 1.620 -0.584 -1.999) 2.639 13.734 ( -6.326 -3.279 5.882) 9.240 13.878 ( -1.420 2.386 -2.183) 3.532 14.200 ( -2.379 -4.096 0.527) 4.766 14.410 ( 5.583 2.982 2.739) 6.897 14.515 ( 0.821 2.608 10.154) 10.516 14.678 ( -0.286 1.384 2.225) 2.635 14.923 ( 5.642 -1.102 -4.877) 7.538 15.091 ( 5.830 13.093 -6.628) 15.791 16.040 ( -9.724 -4.392 -7.302) 12.929 16.247 ( -18.933 -7.480 5.087) 20.983 16.485 ( 0.444 -3.206 9.882) 10.399 16.928 ( -7.709 -4.476 -5.324) 10.383 17.126 ( -8.982 -0.644 2.237) 9.279 17.347 ( -0.344 -2.432 -14.949) 15.149 17.773 ( 18.842 -6.358 9.554) 22.062 18.091 ( 23.994 -1.506 12.402) 27.052 ======================= Grid point 167 (80/108) ======================= q-point: (-0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -6.931 22.089 15.717) 27.982 1.355 ( -15.148 9.890 22.237) 28.666 1.618 ( -5.738 12.505 -12.712) 18.732 1.804 ( -16.101 8.239 -8.991) 20.198 2.050 ( -25.856 11.756 25.262) 38.012 2.516 ( -0.457 7.779 11.888) 14.214 2.906 ( -2.590 0.024 0.292) 2.606 2.913 ( 7.038 3.522 -9.521) 12.352 3.056 ( -2.672 5.520 -10.305) 11.992 3.281 ( 12.552 -5.145 -7.951) 15.724 3.434 ( 11.274 2.158 3.053) 11.878 3.617 ( -0.154 -2.038 2.275) 3.058 3.791 ( 0.996 1.282 -1.722) 2.367 4.023 ( 6.779 5.888 -10.500) 13.816 4.239 ( 1.125 -1.861 -2.828) 3.567 4.366 ( -16.345 3.584 -0.972) 16.761 4.413 ( -17.014 1.793 4.405) 17.666 4.537 ( -6.379 4.283 7.117) 10.473 4.719 ( -10.479 0.136 -4.028) 11.228 4.763 ( -8.150 -1.784 -3.154) 8.919 4.828 ( -6.942 -0.058 0.117) 6.943 5.052 ( -3.568 -0.555 -1.767) 4.020 5.259 ( -1.355 7.849 5.320) 9.579 5.420 ( 1.077 3.254 -5.549) 6.522 5.519 ( -11.721 -2.664 0.465) 12.028 5.711 ( -9.663 0.966 2.848) 10.121 5.954 ( 13.993 -1.274 -3.256) 14.423 6.033 ( 9.233 3.281 1.260) 9.879 6.114 ( 2.948 1.191 -2.905) 4.306 6.271 ( 5.940 -2.165 -5.551) 8.414 6.429 ( 2.871 0.772 -2.497) 3.883 6.438 ( -1.637 -6.343 -0.907) 6.613 6.491 ( 4.987 0.431 -0.282) 5.014 6.635 ( 1.593 -1.123 -0.718) 2.077 6.681 ( 9.011 -3.458 -1.057) 9.710 6.813 ( 5.931 3.554 -0.863) 6.968 6.947 ( 0.403 -1.362 0.287) 1.449 7.045 ( -1.796 -1.665 -1.658) 2.957 7.178 ( -1.674 -4.502 -0.618) 4.843 7.314 ( -2.505 4.871 0.396) 5.492 7.377 ( -9.225 0.202 3.387) 9.829 7.578 ( -4.403 -0.369 -3.847) 5.859 7.812 ( 5.902 -2.864 3.250) 7.322 7.881 ( 8.022 -8.502 9.692) 15.185 8.001 ( 3.539 -6.262 -1.744) 7.402 8.088 ( 7.699 3.294 7.018) 10.926 8.196 ( -0.567 -3.182 5.802) 6.642 8.267 ( -0.057 -9.345 2.213) 9.604 8.522 ( 6.066 -2.091 0.970) 6.489 8.594 ( 2.462 3.834 2.214) 5.066 8.668 ( -4.113 -6.697 -0.187) 7.861 8.742 ( -1.154 6.009 -2.153) 6.487 8.962 ( -4.759 -5.052 -2.529) 7.387 9.033 ( -7.575 -5.367 0.885) 9.326 9.206 ( 5.664 4.074 0.858) 7.030 9.274 ( -1.503 4.842 -0.981) 5.164 9.461 ( 6.838 -1.553 1.910) 7.268 9.541 ( -5.608 -3.116 3.009) 7.086 9.673 ( 7.535 -1.660 -1.200) 7.808 9.746 ( -7.029 -0.916 -0.485) 7.105 9.841 ( -5.999 -2.356 3.623) 7.394 10.087 ( -6.814 -5.024 2.564) 8.845 10.113 ( 7.895 -2.585 -1.455) 8.434 10.270 ( -1.536 -2.969 -0.734) 3.423 10.435 ( -1.780 3.541 -0.471) 3.991 10.525 ( -10.286 -2.174 -0.737) 10.539 10.611 ( -2.670 0.050 3.085) 4.080 10.706 ( 0.219 -3.726 -0.197) 3.738 10.811 ( -5.172 0.973 2.614) 5.876 10.901 ( -0.949 1.290 -7.020) 7.200 11.182 ( -1.596 -3.863 -0.992) 4.296 11.260 ( -5.021 2.409 2.021) 5.924 11.446 ( 1.028 -1.593 -1.931) 2.706 11.490 ( -2.781 1.977 0.856) 3.518 11.745 ( -1.781 -2.862 3.187) 4.639 11.777 ( 1.540 0.285 -1.487) 2.160 11.827 ( -0.646 -1.989 -1.374) 2.502 11.927 ( 0.877 4.491 -4.693) 6.554 12.072 ( 0.785 4.271 -0.711) 4.401 12.133 ( 1.389 5.417 -1.743) 5.858 12.287 ( -0.654 1.510 1.453) 2.196 12.341 ( -0.514 1.544 -6.459) 6.661 12.511 ( 1.938 0.064 2.418) 3.099 12.625 ( 2.868 -3.546 -4.734) 6.573 12.736 ( -0.366 3.840 -0.713) 3.923 12.929 ( -0.062 6.442 1.928) 6.725 13.031 ( -0.470 1.600 0.731) 1.821 13.083 ( 1.190 -0.174 -5.769) 5.893 13.111 ( 2.858 3.263 -1.819) 4.704 13.241 ( 0.788 4.623 -7.345) 8.714 13.380 ( 3.929 -2.380 -5.672) 7.299 13.436 ( 0.653 -1.536 1.255) 2.088 13.655 ( -6.069 -2.474 9.757) 11.754 13.820 ( -1.486 1.951 -4.905) 5.483 14.198 ( 1.755 -0.537 5.377) 5.681 14.530 ( 1.521 3.697 0.320) 4.011 14.658 ( 3.116 3.407 11.655) 12.536 14.699 ( 4.918 0.031 11.194) 12.227 15.032 ( 4.840 -0.135 -3.379) 5.905 15.155 ( 8.386 9.379 -11.274) 16.893 15.820 ( -8.787 -6.474 -6.384) 12.644 15.868 ( -19.839 -7.081 1.468) 21.116 16.570 ( 0.698 -2.083 11.781) 11.984 16.781 ( -3.496 -1.029 -2.449) 4.391 16.979 ( -7.718 -0.754 2.594) 8.177 17.235 ( -1.387 -3.090 -16.983) 17.317 18.200 ( 17.318 -9.109 11.705) 22.801 18.609 ( 20.185 -10.802 2.685) 23.051 ======================= Grid point 168 (81/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -4.277 7.792 13.870) 16.474 1.480 ( 3.376 4.045 -3.145) 6.137 1.780 ( 1.197 16.565 9.955) 19.363 2.022 ( 0.742 23.255 -12.552) 26.437 2.407 ( 4.356 21.386 21.788) 30.839 2.773 ( -7.341 9.887 -7.673) 14.509 2.851 ( 0.315 9.510 3.515) 10.144 3.000 ( -1.012 5.961 -8.372) 10.327 3.130 ( -3.393 3.650 5.556) 7.464 3.328 ( 6.413 0.750 -11.901) 13.539 3.595 ( 3.985 1.977 1.141) 4.592 3.626 ( 1.801 0.583 -2.155) 2.868 4.001 ( 11.903 3.191 1.929) 12.474 4.036 ( -18.440 2.709 -1.075) 18.669 4.153 ( -10.207 3.975 5.268) 12.155 4.266 ( 9.149 4.073 -4.234) 10.873 4.524 ( -9.912 7.859 1.254) 12.712 4.546 ( 4.068 4.614 -0.420) 6.166 4.560 ( 5.153 6.347 1.932) 8.401 4.667 ( -1.082 4.518 -5.346) 7.082 4.889 ( 6.760 0.523 3.052) 7.435 4.927 ( -4.810 0.522 -1.278) 5.004 5.376 ( -3.441 3.873 4.734) 7.018 5.442 ( -3.940 5.874 0.099) 7.074 5.503 ( 7.201 -0.562 -0.199) 7.226 5.571 ( -2.846 2.758 -5.331) 6.643 6.077 ( -4.371 -6.003 1.017) 7.495 6.114 ( 5.004 -5.332 -1.962) 7.571 6.169 ( -3.110 2.643 4.204) 5.859 6.244 ( 2.084 2.603 -0.090) 3.335 6.346 ( 4.504 -3.224 -1.739) 5.805 6.443 ( -0.629 -1.617 -8.362) 8.541 6.508 ( 3.737 -3.888 2.477) 5.934 6.577 ( -3.492 -2.679 -3.551) 5.655 6.814 ( -3.962 -3.749 6.179) 8.242 6.882 ( 1.330 -8.067 2.869) 8.665 6.919 ( 4.369 -1.232 -3.394) 5.668 6.942 ( -1.070 -6.182 -1.711) 6.503 7.138 ( -0.041 1.298 2.758) 3.049 7.171 ( -1.004 2.043 -0.461) 2.322 7.409 ( -4.167 1.570 1.876) 4.832 7.491 ( 4.252 -1.356 -5.709) 7.246 7.743 ( -3.365 -8.301 0.049) 8.958 7.784 ( 2.984 -9.986 -3.270) 10.923 8.038 ( 9.864 -6.240 4.749) 12.601 8.051 ( -4.278 -7.569 2.407) 9.021 8.187 ( 3.259 -3.792 7.995) 9.430 8.294 ( -0.229 -0.794 -2.604) 2.732 8.397 ( -3.343 -9.243 3.249) 10.352 8.471 ( -2.141 -5.356 -1.391) 5.933 8.612 ( -2.149 -0.171 3.495) 4.106 8.709 ( 4.949 -4.648 -6.756) 9.578 8.905 ( -3.190 3.388 2.316) 5.198 8.963 ( 1.909 8.220 -3.997) 9.337 9.276 ( -2.797 -4.755 0.016) 5.517 9.276 ( 2.646 -6.430 -0.358) 6.962 9.442 ( 1.158 1.515 3.484) 3.972 9.512 ( -2.409 0.314 -3.721) 4.444 9.655 ( 1.910 -1.961 2.028) 3.407 9.682 ( -0.615 -0.958 -0.263) 1.168 9.900 ( -2.535 -0.141 1.469) 2.933 9.934 ( 4.109 -0.232 -1.611) 4.420 10.144 ( 0.886 -2.333 2.330) 3.414 10.190 ( -1.675 -0.766 -1.285) 2.245 10.343 ( 1.399 -2.312 3.217) 4.201 10.390 ( -4.381 -2.251 -1.477) 5.142 10.632 ( -0.907 2.977 9.077) 9.596 10.762 ( 1.944 0.925 2.358) 3.193 10.800 ( 1.397 4.468 -5.197) 6.994 10.845 ( 0.041 -1.661 -5.857) 6.088 11.194 ( -5.872 0.971 3.441) 6.875 11.223 ( 6.315 0.108 1.092) 6.410 11.342 ( 0.435 -6.275 0.009) 6.290 11.392 ( -1.639 -5.424 -3.707) 6.771 11.759 ( -3.635 2.254 4.590) 6.274 11.806 ( 0.875 1.748 0.835) 2.126 11.852 ( 4.306 0.312 0.219) 4.322 11.950 ( -2.372 1.397 -5.715) 6.344 12.104 ( -6.055 2.219 4.086) 7.634 12.273 ( 6.311 2.051 -10.438) 12.369 12.289 ( -1.410 3.148 2.431) 4.220 12.336 ( -0.228 1.490 -2.215) 2.679 12.501 ( -0.301 -2.744 4.518) 5.295 12.623 ( 1.606 0.904 -6.527) 6.782 12.849 ( 1.494 1.191 3.842) 4.290 12.924 ( -4.511 -0.673 -3.198) 5.570 13.094 ( 3.827 3.149 4.719) 6.843 13.154 ( -2.759 7.772 1.118) 8.322 13.242 ( -2.529 6.908 0.515) 7.375 13.282 ( 2.426 5.513 -5.008) 7.833 13.420 ( -2.920 2.305 0.578) 3.765 13.460 ( 6.458 -1.306 -0.715) 6.628 13.654 ( -3.287 5.176 5.665) 8.348 13.829 ( -0.097 5.934 -9.245) 10.986 14.321 ( 5.543 -0.162 7.652) 9.450 14.479 ( -6.072 -0.068 -8.291) 10.277 14.848 ( -1.828 -0.459 15.031) 15.149 14.920 ( 5.556 4.037 13.900) 15.504 15.124 ( 6.322 -0.342 -3.047) 7.026 15.157 ( -11.904 -7.292 -8.092) 16.136 15.455 ( 2.397 -6.604 -1.868) 7.270 15.578 ( -0.050 -1.868 -11.260) 11.414 16.602 ( 1.078 -2.328 8.537) 8.915 16.713 ( 0.354 -3.392 -3.051) 4.576 16.913 ( -1.063 1.740 5.449) 5.818 17.080 ( -1.045 0.371 -11.621) 11.674 18.219 ( 3.753 -16.556 13.022) 21.395 18.424 ( -3.038 -16.040 -8.055) 18.204 ======================= Grid point 169 (82/108) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 17.863 8.678 11.001) 22.703 1.704 ( 18.084 6.541 -4.093) 19.661 1.850 ( 1.854 21.938 1.501) 22.068 2.087 ( 10.337 15.484 -8.329) 20.396 2.617 ( 2.588 9.606 -0.269) 9.952 2.699 ( 7.235 8.679 4.971) 12.344 2.832 ( -0.198 9.393 5.852) 11.069 2.879 ( -8.873 9.960 0.789) 13.362 3.094 ( -1.863 3.627 1.761) 4.441 3.313 ( -0.031 4.422 -7.828) 8.991 3.571 ( -9.608 0.919 -8.138) 12.624 3.692 ( 2.235 3.304 -4.975) 6.377 3.794 ( -1.415 3.861 2.174) 4.652 3.947 ( -3.485 5.786 11.515) 13.350 4.230 ( -4.289 5.672 1.889) 7.358 4.435 ( 14.682 4.858 1.747) 15.563 4.531 ( 12.074 1.778 -3.330) 12.650 4.619 ( 4.485 1.050 6.646) 8.086 4.708 ( 6.307 1.676 -2.553) 7.008 4.767 ( 10.395 5.451 -0.383) 11.744 4.896 ( 3.395 1.602 -6.030) 7.103 5.013 ( 3.600 0.434 1.348) 3.868 5.374 ( 0.470 2.964 6.829) 7.459 5.435 ( 3.852 2.130 1.895) 4.792 5.550 ( 3.864 3.119 -3.889) 6.308 5.681 ( 5.697 -1.132 0.059) 5.808 5.894 ( -11.139 -1.184 0.096) 11.203 6.081 ( -6.232 2.915 2.498) 7.320 6.198 ( 2.581 -3.952 -2.564) 5.372 6.254 ( -6.384 -4.564 -1.549) 7.998 6.294 ( -4.705 4.814 -2.785) 7.285 6.398 ( 1.112 0.851 0.095) 1.403 6.523 ( -1.318 -2.458 -3.752) 4.675 6.566 ( -4.724 -5.470 0.177) 7.229 6.590 ( -8.257 -2.706 0.960) 8.742 6.792 ( -7.877 -5.648 1.285) 9.777 6.928 ( -0.458 -3.127 -0.167) 3.165 7.017 ( 2.656 -2.730 -1.977) 4.291 7.118 ( 1.498 1.973 1.974) 3.168 7.291 ( -3.083 0.638 5.441) 6.286 7.381 ( 10.951 -6.229 -5.376) 13.697 7.610 ( 8.177 2.252 -3.510) 9.179 7.670 ( -3.734 -8.111 2.825) 9.366 7.804 ( -0.255 -7.031 -2.437) 7.446 7.872 ( -8.463 -6.491 -1.882) 10.831 8.091 ( -3.581 -6.998 -1.926) 8.093 8.199 ( -2.473 -2.181 -0.695) 3.370 8.365 ( 4.993 -1.088 -3.308) 6.087 8.391 ( -5.766 -1.814 1.889) 6.333 8.533 ( 6.700 -6.553 2.199) 9.627 8.628 ( 7.282 -6.473 4.574) 10.764 8.765 ( 0.931 -3.992 -5.702) 7.023 8.869 ( -1.492 4.013 2.688) 5.055 8.992 ( 2.945 0.991 -1.949) 3.668 9.251 ( -3.643 0.645 0.708) 3.766 9.317 ( 3.058 -2.887 0.996) 4.322 9.404 ( -4.261 -3.368 -0.574) 5.462 9.458 ( -0.794 -1.210 1.753) 2.273 9.663 ( -4.121 -5.029 -2.080) 6.826 9.680 ( -0.596 -1.410 -0.214) 1.546 9.811 ( 0.454 -1.883 0.881) 2.128 10.086 ( 5.165 -0.534 -2.168) 5.627 10.113 ( -2.919 0.117 -0.115) 2.924 10.177 ( 2.640 -4.202 -0.021) 4.963 10.378 ( 4.980 -2.379 2.345) 5.997 10.428 ( 2.611 -1.194 2.252) 3.649 10.702 ( 3.159 4.137 5.719) 7.733 10.793 ( 2.998 2.797 -7.232) 8.314 10.805 ( 0.385 1.372 0.458) 1.497 10.902 ( 5.989 -1.022 -1.722) 6.315 11.093 ( -2.747 0.246 2.559) 3.762 11.289 ( -1.548 -5.077 1.164) 5.434 11.383 ( 2.709 -4.982 -0.940) 5.748 11.441 ( 7.507 -0.213 -1.429) 7.644 11.696 ( -4.597 -1.810 5.184) 7.161 11.816 ( -0.053 1.155 -0.390) 1.220 11.868 ( -3.211 2.117 3.213) 5.012 11.904 ( -0.452 1.775 -3.228) 3.712 12.038 ( -1.212 2.406 0.517) 2.744 12.269 ( -3.257 2.727 3.866) 5.744 12.322 ( 0.307 3.243 -1.318) 3.514 12.352 ( 5.537 1.245 -4.900) 7.498 12.506 ( -0.692 -0.386 1.071) 1.332 12.583 ( -1.289 0.359 -5.876) 6.026 12.787 ( -5.422 1.165 0.305) 5.554 12.951 ( 2.115 -2.161 5.465) 6.246 13.050 ( -4.996 5.345 -2.338) 7.681 13.173 ( -1.144 4.381 -0.595) 4.566 13.210 ( 1.071 6.740 6.347) 9.320 13.306 ( -0.677 3.934 -1.891) 4.417 13.360 ( -0.896 9.189 -3.820) 9.991 13.508 ( -0.336 3.836 -4.485) 5.911 13.683 ( 2.321 -0.502 9.549) 9.840 13.804 ( 1.820 2.618 -5.611) 6.454 14.292 ( -7.248 -0.955 -6.036) 9.480 14.494 ( 6.185 -0.203 7.830) 9.980 14.718 ( -13.877 -2.135 5.083) 14.932 14.883 ( -8.819 -5.923 -5.800) 12.103 15.074 ( -0.206 7.282 16.811) 18.322 15.156 ( -1.105 6.922 -11.269) 13.271 15.630 ( 11.124 -3.205 -1.463) 11.668 15.681 ( 17.453 -14.079 -3.038) 22.629 16.658 ( 0.718 -2.548 3.531) 4.413 16.706 ( 0.457 -4.851 -4.167) 6.412 16.954 ( 1.140 1.975 5.252) 5.725 17.060 ( 4.705 0.308 -3.406) 5.816 18.171 ( -15.091 -10.699 -6.474) 19.599 18.245 ( -8.792 -17.022 6.854) 20.348 ======================= Grid point 170 (83/108) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 10.778 15.708 -6.607) 20.163 1.941 ( 9.308 21.095 7.002) 24.097 2.005 ( 10.542 7.404 -8.174) 15.257 2.229 ( 12.426 7.660 3.501) 15.011 2.511 ( -11.784 6.621 -5.146) 14.463 2.675 ( -16.272 3.642 8.227) 18.594 2.778 ( -5.256 7.223 3.668) 9.657 3.090 ( 12.411 8.351 -1.882) 15.077 3.208 ( 7.823 2.528 -4.334) 9.294 3.323 ( 11.349 9.189 2.714) 14.853 3.411 ( 9.110 6.170 -2.878) 11.373 3.634 ( -4.378 8.372 3.802) 10.184 3.796 ( 0.766 6.635 0.553) 6.702 4.072 ( 5.558 4.545 0.995) 7.249 4.252 ( 8.134 -0.339 2.679) 8.570 4.672 ( 6.057 2.358 2.952) 7.139 4.728 ( 4.420 0.819 2.142) 4.980 4.748 ( 5.207 -0.174 -4.782) 7.072 4.831 ( 6.607 2.334 -1.713) 7.213 4.886 ( 5.779 -0.627 -0.443) 5.830 5.033 ( 12.657 -1.963 -2.213) 12.998 5.127 ( 8.624 -2.213 0.587) 8.922 5.405 ( -5.991 0.269 4.506) 7.501 5.479 ( 0.014 7.443 -1.146) 7.531 5.574 ( -7.916 3.210 -2.986) 9.049 5.652 ( 2.930 -1.006 1.967) 3.669 5.767 ( -5.762 -0.897 1.983) 6.159 5.949 ( -13.240 0.448 -4.455) 13.977 6.005 ( -4.333 -0.345 2.828) 5.185 6.158 ( -7.268 -2.262 -1.848) 7.833 6.290 ( -2.836 -6.486 2.716) 7.581 6.325 ( -3.357 3.075 0.079) 4.553 6.372 ( -6.834 -2.914 -3.318) 8.136 6.564 ( -0.485 -0.076 1.496) 1.575 6.627 ( 11.736 2.491 2.142) 12.187 6.650 ( -7.047 -5.054 1.557) 8.811 6.904 ( -3.976 0.600 -2.997) 5.015 7.056 ( 3.973 0.192 1.371) 4.207 7.164 ( 1.685 -0.407 0.703) 1.871 7.315 ( 4.215 -2.428 3.590) 6.046 7.493 ( 1.279 -9.426 -9.063) 13.139 7.620 ( -2.055 -5.877 2.042) 6.552 7.675 ( -1.800 -4.809 -2.347) 5.646 7.771 ( 0.510 1.497 -0.355) 1.621 7.815 ( 3.328 -1.794 0.273) 3.790 8.028 ( -3.277 -3.334 0.759) 4.736 8.138 ( -3.135 -4.287 -1.071) 5.418 8.279 ( -0.890 0.559 -3.822) 3.964 8.446 ( 4.597 -1.315 -5.233) 7.088 8.626 ( 3.949 -3.338 1.278) 5.326 8.682 ( -3.901 1.246 -3.544) 5.415 8.796 ( 3.236 -2.996 2.454) 5.047 8.897 ( 2.034 -3.783 3.063) 5.276 9.031 ( -0.040 0.151 -1.683) 1.690 9.145 ( -4.724 -1.040 2.317) 5.363 9.227 ( -7.758 0.066 0.779) 7.797 9.378 ( -4.668 0.820 -0.485) 4.765 9.457 ( -10.945 -0.122 -2.351) 11.195 9.577 ( 10.257 -8.226 0.214) 13.150 9.735 ( 5.546 -11.079 1.991) 12.549 9.874 ( 2.333 -0.565 0.065) 2.401 10.005 ( -1.541 -3.874 -0.166) 4.173 10.236 ( 2.319 -4.265 0.613) 4.893 10.250 ( 8.162 -4.904 -4.158) 10.390 10.433 ( 1.847 0.182 -0.144) 1.861 10.527 ( 3.578 -3.161 2.612) 5.442 10.727 ( -2.107 2.754 -0.558) 3.512 10.798 ( 1.437 -0.434 -5.454) 5.657 10.887 ( 6.009 4.566 2.505) 7.952 11.014 ( 6.822 0.113 0.455) 6.838 11.130 ( 1.393 -0.726 6.073) 6.273 11.232 ( -2.921 -6.666 -2.071) 7.567 11.432 ( 3.248 -4.269 -2.791) 6.046 11.543 ( 2.224 2.933 0.020) 3.682 11.683 ( 0.047 -3.491 7.444) 8.223 11.813 ( -0.033 -1.103 -0.489) 1.207 11.828 ( -4.558 2.210 6.593) 8.314 11.895 ( 3.950 0.060 -3.801) 5.482 12.033 ( 0.293 5.029 -1.710) 5.320 12.192 ( -5.905 -1.407 2.449) 6.546 12.312 ( -1.884 2.485 0.106) 3.120 12.396 ( 0.155 3.290 -4.843) 5.857 12.482 ( -0.496 2.277 -0.733) 2.443 12.556 ( 2.410 0.749 -3.835) 4.590 12.703 ( -4.310 -0.098 2.956) 5.227 12.912 ( -5.479 1.282 -2.562) 6.182 13.023 ( -0.625 -1.059 6.965) 7.073 13.155 ( 0.654 5.369 -1.938) 5.746 13.226 ( -3.651 3.166 3.322) 5.864 13.280 ( 0.319 7.726 2.011) 7.990 13.322 ( -1.398 10.813 -5.515) 12.219 13.477 ( -0.463 5.056 -1.442) 5.278 13.758 ( 1.708 -3.767 -1.885) 4.546 13.854 ( 3.880 2.584 5.572) 7.265 14.154 ( -3.562 -1.678 -2.030) 4.430 14.463 ( -12.590 -2.714 0.213) 12.881 14.603 ( -0.289 -5.754 2.273) 6.194 14.824 ( 6.691 4.711 -1.325) 8.290 14.989 ( -7.479 7.490 -9.734) 14.380 15.133 ( -3.428 8.123 12.486) 15.285 15.858 ( 11.905 -3.679 0.974) 12.499 16.054 ( 20.488 -15.273 -1.369) 25.591 16.608 ( -3.758 -3.707 -9.380) 10.763 16.712 ( -1.528 -5.954 6.372) 8.854 17.053 ( 6.141 0.114 5.728) 8.398 17.169 ( 5.683 -1.228 1.133) 5.923 17.812 ( -15.708 -5.356 -7.281) 18.123 18.020 ( -16.031 -12.752 1.298) 20.525 ======================= Grid point 171 (84/108) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 6.310 15.766 -4.990) 17.700 2.071 ( 0.552 18.090 -1.890) 18.197 2.206 ( 6.198 9.469 5.855) 12.742 2.292 ( -0.312 4.697 -11.213) 12.161 2.353 ( -12.778 8.753 5.834) 16.551 2.557 ( 11.041 4.034 8.442) 14.472 2.608 ( -9.939 10.071 2.023) 14.294 2.974 ( -7.516 -1.699 -4.086) 8.722 3.359 ( 5.590 10.711 -2.486) 12.335 3.409 ( -7.860 13.578 3.123) 15.997 3.750 ( 4.679 10.074 8.175) 13.791 3.825 ( 26.325 6.080 -0.935) 27.034 4.004 ( 11.353 2.321 -4.822) 12.551 4.178 ( 15.740 1.316 -0.042) 15.795 4.403 ( -4.956 -0.299 2.155) 5.412 4.641 ( -6.392 1.270 -5.888) 8.783 4.750 ( -1.651 1.404 2.294) 3.156 4.769 ( 0.931 0.810 0.846) 1.496 4.893 ( -2.972 0.317 1.472) 3.331 4.930 ( 0.346 -3.146 -4.617) 5.597 5.174 ( -1.281 0.256 4.068) 4.272 5.241 ( -3.305 0.739 1.355) 3.647 5.397 ( 14.097 -1.420 1.057) 14.208 5.450 ( 0.963 2.733 -3.085) 4.232 5.504 ( 4.181 0.866 -1.223) 4.441 5.607 ( -8.523 -2.742 1.459) 9.072 5.662 ( -4.670 -2.187 -3.162) 6.049 5.737 ( -9.241 0.596 0.739) 9.290 5.961 ( 0.544 -3.176 0.918) 3.351 6.045 ( -4.351 -2.897 0.387) 5.241 6.232 ( 1.409 -2.993 -2.226) 3.987 6.261 ( -6.102 -1.843 2.644) 6.901 6.373 ( 6.870 5.627 1.769) 9.055 6.532 ( -2.917 -4.574 2.708) 6.063 6.570 ( -0.919 -1.987 -0.591) 2.267 6.691 ( -10.202 3.523 -4.086) 11.540 6.964 ( 15.287 -1.866 -0.205) 15.402 7.119 ( -1.979 2.664 3.130) 4.562 7.228 ( 1.742 -5.115 4.338) 6.929 7.332 ( -3.221 -5.624 -2.791) 7.057 7.473 ( 2.348 0.963 -3.369) 4.218 7.554 ( -1.138 -0.013 -1.944) 2.252 7.703 ( 2.593 -7.205 2.689) 8.116 7.802 ( 1.982 -2.061 2.115) 3.557 7.863 ( 1.903 1.480 -3.667) 4.388 7.927 ( -6.809 -3.618 -0.586) 7.733 8.123 ( 1.347 -1.928 2.494) 3.428 8.272 ( 0.323 1.774 -5.940) 6.208 8.497 ( 4.404 -1.371 -5.448) 7.138 8.567 ( -5.276 -1.024 -2.989) 6.150 8.750 ( 8.525 -0.533 0.186) 8.544 8.859 ( -0.213 -2.912 2.714) 3.986 8.886 ( -5.541 -0.924 3.909) 6.844 8.967 ( -0.237 -0.418 1.723) 1.788 9.053 ( -5.149 -2.336 0.056) 5.654 9.202 ( -4.427 -1.131 -1.498) 4.808 9.228 ( -1.860 1.072 -1.661) 2.715 9.294 ( -3.319 -1.285 -1.029) 3.705 9.736 ( 4.797 -3.671 1.388) 6.198 9.850 ( -0.742 1.091 -3.123) 3.390 9.911 ( 7.430 -12.757 3.180) 15.102 10.019 ( -0.333 -8.428 1.119) 8.508 10.262 ( -0.135 -6.936 2.018) 7.224 10.324 ( 1.117 -8.484 -2.699) 8.973 10.499 ( 4.776 2.167 -1.547) 5.468 10.555 ( -1.052 -2.528 -0.486) 2.781 10.693 ( -1.943 -0.116 3.044) 3.613 10.781 ( -0.591 0.373 -4.266) 4.323 10.968 ( 1.544 1.504 1.683) 2.735 11.044 ( -3.517 0.519 0.280) 3.566 11.191 ( 2.406 -3.374 5.403) 6.809 11.286 ( 7.550 -3.807 -4.731) 9.689 11.470 ( 3.838 -3.122 -2.704) 5.638 11.521 ( -4.863 4.245 2.301) 6.853 11.768 ( -4.817 1.122 6.376) 8.070 11.782 ( 3.594 0.130 7.444) 8.267 11.827 ( 2.462 -3.606 -1.528) 4.626 11.952 ( -0.523 1.605 -2.484) 3.003 12.033 ( 3.801 -0.716 -2.132) 4.416 12.156 ( 2.624 -0.336 1.041) 2.843 12.244 ( -4.105 1.889 -2.151) 5.004 12.286 ( -5.609 1.772 -6.015) 8.413 12.526 ( 3.077 3.723 0.736) 4.886 12.581 ( 0.196 2.852 -2.163) 3.585 12.665 ( -0.098 -0.710 2.670) 2.765 12.793 ( -4.643 -0.156 -2.797) 5.423 13.046 ( -1.568 -0.811 8.042) 8.234 13.156 ( 0.534 8.364 -1.602) 8.533 13.213 ( 1.132 0.312 0.335) 1.221 13.255 ( -2.462 8.702 -2.443) 9.368 13.289 ( -0.436 7.457 2.527) 7.886 13.443 ( -0.674 4.267 -5.648) 7.111 13.801 ( 3.119 -0.292 3.098) 4.406 13.934 ( 0.093 3.937 2.353) 4.587 14.135 ( 0.761 -4.061 1.712) 4.473 14.266 ( -6.329 -4.447 -0.155) 7.736 14.602 ( 1.310 -3.736 -0.812) 4.042 14.780 ( -8.078 5.250 -7.428) 12.166 15.010 ( 7.966 8.635 3.133) 12.159 15.108 ( -3.025 9.195 5.387) 11.078 16.084 ( 9.804 -2.071 3.620) 10.654 16.390 ( 5.509 -8.811 -5.483) 11.750 16.471 ( 4.467 -11.358 -4.592) 13.040 16.645 ( -9.888 -11.447 5.235) 16.007 17.253 ( 5.878 -0.657 8.301) 10.193 17.276 ( 8.263 -2.520 2.862) 9.100 17.533 ( -7.605 -1.410 -7.902) 11.058 17.694 ( -15.499 -7.180 -4.310) 17.616 ======================= Grid point 172 (85/108) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -14.054 18.457 6.729) 24.154 1.945 ( -19.864 8.445 10.825) 24.147 2.188 ( 10.803 14.456 -4.712) 18.652 2.355 ( -7.365 12.708 -3.091) 15.010 2.469 ( 6.393 12.744 -2.018) 14.399 2.520 ( 15.711 3.133 -1.648) 16.105 2.814 ( 1.508 -1.162 -2.549) 3.181 2.871 ( 9.214 0.562 -0.482) 9.243 3.208 ( -11.329 15.588 7.214) 20.576 3.537 ( 10.561 10.752 -5.049) 15.894 3.794 ( -19.684 8.706 1.240) 21.559 3.869 ( -17.735 4.929 6.718) 19.595 3.970 ( 0.067 6.997 -10.326) 12.473 4.134 ( -14.878 1.978 4.148) 15.572 4.467 ( 5.628 0.227 -1.034) 5.727 4.519 ( -5.235 -1.782 2.269) 5.977 4.770 ( 2.213 1.809 0.590) 2.918 4.794 ( 1.820 1.071 -0.963) 2.321 4.847 ( -1.244 -0.441 1.651) 2.113 4.922 ( -0.514 -2.493 0.308) 2.564 5.205 ( 2.573 -0.996 1.291) 3.046 5.266 ( 4.597 0.819 -2.097) 5.118 5.392 ( -5.519 -0.966 3.041) 6.374 5.426 ( -13.294 2.048 -1.161) 13.501 5.527 ( 2.568 -1.168 -2.034) 3.478 5.609 ( 6.456 -1.556 -1.027) 6.720 5.658 ( 6.504 -2.413 -2.244) 7.291 5.735 ( 9.817 0.184 0.022) 9.819 5.983 ( -0.430 -3.583 0.257) 3.618 6.046 ( 3.548 -1.105 -0.161) 3.719 6.180 ( -0.108 -2.988 2.972) 4.215 6.312 ( 5.893 -2.750 -2.384) 6.926 6.429 ( -8.353 6.485 -2.720) 10.920 6.522 ( 1.474 -1.494 2.682) 3.405 6.587 ( 5.680 -0.669 -1.964) 6.047 6.614 ( 7.237 -4.712 3.076) 9.167 6.944 ( -14.198 -1.804 1.088) 14.353 7.183 ( 5.506 -1.224 -2.415) 6.136 7.275 ( 1.699 -1.562 1.452) 2.726 7.326 ( 2.045 -3.011 -2.384) 4.351 7.436 ( -2.491 -2.406 1.081) 3.628 7.572 ( 2.154 -0.555 -5.698) 6.117 7.759 ( -2.232 -0.950 0.151) 2.431 7.782 ( -4.914 -2.795 2.034) 6.008 7.836 ( 1.836 -2.061 -2.108) 3.473 7.910 ( 4.551 -0.308 0.910) 4.651 8.134 ( -3.973 0.857 3.545) 5.393 8.238 ( 1.397 -0.733 -4.551) 4.817 8.436 ( -5.851 -1.923 0.236) 6.163 8.550 ( 0.875 0.058 -1.668) 1.885 8.731 ( -4.179 -2.817 1.139) 5.167 8.903 ( 1.422 -0.372 0.537) 1.565 8.931 ( -2.599 -3.322 2.037) 4.684 8.959 ( 4.929 -0.218 -1.714) 5.223 9.084 ( 1.251 -1.151 -1.005) 1.975 9.102 ( 7.258 -1.075 5.298) 9.050 9.240 ( -0.799 0.432 -1.610) 1.849 9.294 ( 3.871 -1.153 -0.441) 4.063 9.748 ( -3.131 -2.155 -0.335) 3.816 9.855 ( 3.515 -0.189 -3.159) 4.729 9.941 ( -8.174 -11.315 0.195) 13.959 10.017 ( 0.267 -8.835 1.669) 8.995 10.241 ( -5.162 -8.140 4.666) 10.709 10.303 ( -0.252 -6.273 -1.864) 6.548 10.472 ( -4.818 0.599 0.844) 4.928 10.579 ( 2.521 -0.275 -1.217) 2.813 10.684 ( -1.822 -1.690 3.211) 4.061 10.738 ( -0.640 0.460 -1.015) 1.285 10.932 ( -2.955 1.098 3.062) 4.395 11.111 ( 5.882 -3.016 -1.437) 6.764 11.188 ( -6.687 -1.922 2.101) 7.268 11.311 ( -0.268 -2.216 -5.927) 6.334 11.424 ( -3.056 0.472 1.579) 3.472 11.565 ( 3.750 3.077 -2.645) 5.526 11.726 ( -3.092 -6.534 7.060) 10.104 11.839 ( -1.526 3.499 2.851) 4.765 11.884 ( 1.777 -0.806 -1.714) 2.597 11.932 ( 3.384 0.148 -1.883) 3.875 12.104 ( -1.363 3.180 -5.383) 6.399 12.162 ( 4.234 -0.445 -1.206) 4.424 12.187 ( 0.458 -1.940 -1.227) 2.341 12.270 ( 5.734 1.083 -2.211) 6.240 12.533 ( -3.022 2.184 0.028) 3.728 12.565 ( -0.305 4.086 -0.397) 4.116 12.709 ( 1.662 0.098 0.738) 1.821 12.755 ( 3.808 -1.336 -1.566) 4.329 13.069 ( -0.274 1.578 7.481) 7.650 13.156 ( -1.204 2.699 0.637) 3.023 13.191 ( -1.142 7.977 -4.219) 9.096 13.259 ( 2.492 0.320 1.761) 3.068 13.295 ( -0.531 5.855 0.984) 5.961 13.437 ( 4.418 6.616 -6.414) 10.219 13.846 ( -4.715 3.055 1.520) 5.820 13.919 ( 2.463 2.979 1.208) 4.049 14.133 ( -2.839 -3.541 5.121) 6.842 14.270 ( 5.873 -4.121 -2.613) 7.636 14.604 ( -5.070 3.090 -0.637) 5.971 14.667 ( 3.149 -0.601 2.259) 3.921 14.977 ( -7.777 4.298 4.462) 9.943 15.242 ( 10.856 13.376 -5.560) 18.102 16.190 ( -11.222 -4.716 -6.725) 13.907 16.261 ( 3.030 -2.780 6.315) 7.536 16.410 ( -13.331 -12.014 2.839) 18.169 16.720 ( 10.959 -15.495 -2.661) 19.165 17.294 ( -7.603 -1.901 4.518) 9.046 17.389 ( -2.209 -4.575 0.972) 5.172 17.436 ( -0.814 -0.888 -6.849) 6.954 17.609 ( 17.144 -2.640 2.891) 17.585 ======================= Grid point 173 (86/108) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -10.508 19.739 13.501) 26.122 1.682 ( -15.106 12.075 15.519) 24.796 2.110 ( -10.308 13.986 -7.211) 18.811 2.293 ( -9.130 8.912 -1.477) 12.844 2.521 ( 7.143 12.461 -3.144) 14.703 2.818 ( 8.735 0.259 -2.025) 8.971 2.868 ( 9.689 3.991 -6.539) 12.351 3.018 ( -11.324 12.955 2.867) 17.443 3.157 ( 10.855 3.493 0.543) 11.416 3.168 ( -20.949 10.119 8.561) 24.790 3.507 ( -17.372 3.930 -4.085) 18.273 3.759 ( -6.335 5.785 -6.526) 10.779 3.779 ( 3.321 6.555 1.765) 7.557 4.120 ( 6.349 6.264 -4.131) 9.830 4.300 ( -9.799 -0.215 -1.630) 9.936 4.590 ( -2.132 0.333 8.261) 8.538 4.687 ( -9.340 2.759 3.084) 10.216 4.753 ( -5.999 3.126 0.842) 6.817 4.809 ( -2.138 -1.473 -1.701) 3.104 4.846 ( -8.367 -2.217 3.265) 9.251 5.076 ( -12.115 -2.299 -4.449) 13.109 5.154 ( -8.926 -1.863 -1.586) 9.255 5.316 ( -1.491 3.698 6.557) 7.675 5.536 ( 8.123 6.466 -4.649) 11.376 5.629 ( 1.841 0.173 0.628) 1.953 5.665 ( 4.841 -1.096 -4.740) 6.864 5.822 ( 11.620 -2.187 1.755) 11.954 5.848 ( 0.601 0.240 0.626) 0.901 6.032 ( 5.870 -0.622 -0.502) 5.924 6.120 ( 5.857 -1.420 1.664) 6.252 6.299 ( 6.852 -5.006 0.913) 8.535 6.360 ( 5.951 -1.391 -3.045) 6.828 6.390 ( 4.027 -4.244 -2.895) 6.528 6.572 ( 0.991 -0.265 0.889) 1.358 6.655 ( -6.423 3.789 -2.051) 7.734 6.712 ( 2.544 -4.041 -3.485) 5.911 6.809 ( 5.819 -4.123 5.757) 9.165 7.150 ( -4.432 3.200 -5.268) 7.592 7.201 ( -6.588 -4.825 -5.386) 9.782 7.352 ( -2.444 -2.943 3.285) 5.042 7.421 ( 2.391 -6.343 -4.940) 8.387 7.594 ( 5.113 -2.608 3.638) 6.795 7.674 ( -3.879 -4.577 -1.287) 6.136 7.735 ( -4.686 6.025 2.693) 8.094 7.855 ( 0.721 -6.077 -3.094) 6.858 8.016 ( 3.447 -1.144 3.511) 5.052 8.094 ( -0.107 2.959 2.254) 3.721 8.207 ( -3.299 -6.305 1.031) 7.190 8.392 ( 1.421 1.052 1.136) 2.101 8.544 ( -0.789 -2.401 5.328) 5.897 8.700 ( -3.214 -0.950 -1.867) 3.837 8.839 ( 0.854 -0.725 -2.173) 2.444 8.941 ( -2.062 -5.955 0.121) 6.303 8.977 ( -2.627 -2.050 2.314) 4.056 9.191 ( 7.532 1.618 -1.557) 7.860 9.238 ( 5.248 0.714 0.007) 5.296 9.349 ( 4.775 -3.513 1.801) 6.196 9.388 ( 9.785 3.280 3.114) 10.780 9.635 ( -8.173 -5.290 -4.113) 10.569 9.768 ( -6.165 -11.153 -1.243) 12.804 9.891 ( -1.934 -1.099 -1.869) 2.906 9.975 ( -0.114 -3.111 2.521) 4.006 10.139 ( -7.459 -4.627 6.365) 10.843 10.278 ( -2.070 -1.582 -3.340) 4.236 10.434 ( 0.598 -1.849 0.725) 2.074 10.585 ( -2.570 -4.417 -2.410) 5.651 10.633 ( -3.497 1.967 4.804) 6.260 10.767 ( 1.733 0.721 0.606) 1.972 10.897 ( -3.336 2.664 1.433) 4.504 10.986 ( -10.278 -1.883 3.287) 10.954 11.161 ( -2.888 -4.807 -0.020) 5.608 11.257 ( -0.975 -2.474 -1.209) 2.922 11.456 ( 4.532 -1.015 -5.964) 7.560 11.535 ( -4.356 1.980 0.780) 4.848 11.726 ( -0.162 -4.624 1.422) 4.840 11.797 ( -3.215 3.073 1.092) 4.580 11.839 ( -3.774 -0.358 0.829) 3.881 11.991 ( 3.607 0.751 -4.574) 5.873 12.114 ( 5.669 5.863 -8.216) 11.576 12.216 ( 4.953 -1.420 -0.411) 5.169 12.286 ( 2.719 2.013 2.147) 4.006 12.334 ( 2.354 -1.799 -2.045) 3.600 12.473 ( -2.728 -0.757 0.838) 2.953 12.558 ( 1.770 2.835 -3.023) 4.507 12.762 ( 3.449 -0.193 -1.769) 3.881 12.850 ( 4.967 0.274 2.146) 5.418 13.100 ( -3.038 5.057 1.626) 6.119 13.146 ( 1.977 1.591 6.412) 6.895 13.170 ( 1.471 -1.730 -3.119) 3.858 13.279 ( -0.489 8.257 -1.374) 8.385 13.331 ( 2.259 2.180 2.995) 4.339 13.486 ( 3.021 6.367 -6.730) 9.744 13.740 ( -4.415 2.224 -0.406) 4.960 13.963 ( -0.039 6.566 -0.796) 6.614 14.116 ( 0.120 -2.779 1.797) 3.312 14.415 ( 8.803 -1.678 2.843) 9.402 14.570 ( 1.572 1.926 3.816) 4.555 14.758 ( -0.390 4.630 6.878) 8.300 14.866 ( -1.594 -3.298 0.098) 3.664 15.373 ( 6.787 12.894 -9.661) 17.483 15.921 ( -12.822 -7.175 -4.896) 15.487 16.037 ( -17.957 -11.716 0.300) 21.443 16.434 ( 3.087 -1.532 8.106) 8.808 16.796 ( -0.571 -8.405 -2.901) 8.910 17.102 ( -9.228 -1.589 0.076) 9.365 17.298 ( -2.121 -2.138 -10.567) 10.988 17.633 ( 13.100 -7.217 10.551) 18.303 17.998 ( 19.972 -7.426 3.044) 21.525 ======================= Grid point 174 (87/108) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -17.069 13.841 12.852) 25.457 1.576 ( -11.144 9.574 15.743) 21.533 1.828 ( -11.310 8.808 -3.050) 14.656 2.093 ( -3.428 18.715 -4.446) 19.539 2.442 ( -19.416 23.797 7.000) 31.500 2.705 ( 6.914 9.902 3.883) 12.685 2.987 ( -0.867 7.451 -6.777) 10.110 3.016 ( -0.164 6.972 0.683) 7.008 3.170 ( 0.191 -2.590 0.418) 2.630 3.187 ( 7.063 5.673 -9.562) 13.172 3.480 ( 11.543 2.236 1.509) 11.854 3.635 ( -3.520 3.379 1.005) 4.981 3.822 ( 1.372 2.260 -0.450) 2.682 4.147 ( 2.821 6.126 -7.297) 9.937 4.282 ( 4.309 5.360 -3.383) 7.665 4.433 ( -9.963 2.735 3.973) 11.069 4.458 ( -16.865 2.271 0.834) 17.038 4.635 ( -6.702 4.775 4.204) 9.240 4.732 ( -7.946 1.852 0.984) 8.218 4.762 ( -2.873 1.916 -3.728) 5.082 4.825 ( -6.463 -0.017 0.112) 6.464 5.035 ( -3.654 -0.873 -0.946) 3.874 5.374 ( 0.888 3.017 6.986) 7.661 5.471 ( -5.900 -0.293 -0.088) 5.908 5.543 ( -4.059 6.974 -4.413) 9.197 5.716 ( -4.888 -0.954 -3.619) 6.157 5.928 ( 11.035 -1.122 -3.165) 11.535 6.096 ( 10.441 0.943 7.012) 12.612 6.139 ( 3.800 1.452 -0.556) 4.106 6.182 ( -1.414 -4.404 -1.163) 4.769 6.321 ( -1.560 -4.099 -1.817) 4.748 6.456 ( 3.233 -0.294 -3.660) 4.892 6.494 ( -2.870 -1.087 -2.596) 4.019 6.568 ( 11.021 -6.747 0.026) 12.922 6.612 ( 6.128 0.139 -1.258) 6.258 6.807 ( 4.702 -4.969 -0.279) 6.847 6.907 ( 2.174 -2.654 2.369) 4.169 7.012 ( -4.122 -3.644 -1.806) 5.790 7.136 ( -2.107 2.396 0.406) 3.216 7.278 ( -5.056 -5.019 3.320) 7.860 7.427 ( 0.546 -0.722 -6.959) 7.018 7.561 ( -6.808 -1.468 1.276) 7.081 7.706 ( 2.158 -3.805 2.922) 5.260 7.760 ( 5.915 -3.082 0.199) 6.673 7.855 ( 2.832 -6.556 -0.771) 7.183 8.038 ( -0.162 -7.518 2.248) 7.848 8.109 ( -0.088 -4.225 6.568) 7.810 8.267 ( 4.027 7.424 6.877) 10.891 8.442 ( 3.051 -6.011 -2.055) 7.048 8.515 ( -6.282 -6.302 0.131) 8.899 8.637 ( -1.696 -1.898 6.474) 6.957 8.790 ( -7.161 -7.179 -8.286) 13.095 8.920 ( 4.156 6.769 -2.014) 8.194 8.951 ( -1.811 -1.797 1.873) 3.165 9.265 ( -0.156 0.081 -0.667) 0.689 9.331 ( -1.128 -0.455 -0.327) 1.259 9.374 ( 2.954 -3.742 1.922) 5.140 9.494 ( 1.666 -1.217 -1.133) 2.354 9.631 ( 5.943 -4.553 1.286) 7.597 9.692 ( -0.693 -1.433 -2.014) 2.567 9.800 ( -1.841 -1.483 1.896) 3.030 10.039 ( -6.252 0.018 3.462) 7.147 10.085 ( 6.311 -0.472 1.512) 6.506 10.197 ( -2.687 -3.364 -2.093) 4.787 10.430 ( -8.704 -3.326 0.917) 9.363 10.461 ( -0.344 -1.793 -4.406) 4.770 10.620 ( -2.311 0.939 6.688) 7.138 10.750 ( -3.411 3.482 5.040) 7.011 10.836 ( -2.603 2.282 -1.225) 3.672 10.903 ( -0.809 -0.586 -4.332) 4.446 11.108 ( 0.723 -3.659 0.842) 3.824 11.249 ( -1.219 -4.055 3.305) 5.371 11.404 ( -5.340 0.214 -0.655) 5.384 11.477 ( -2.852 -3.603 -4.625) 6.520 11.751 ( 3.806 -1.443 -2.028) 4.547 11.770 ( -0.680 4.589 3.753) 5.967 11.807 ( -0.768 -0.191 1.629) 1.811 12.008 ( 0.704 1.776 -5.431) 5.757 12.152 ( 1.775 3.988 -4.501) 6.270 12.268 ( -0.907 4.125 -1.436) 4.461 12.305 ( -0.116 -0.493 -0.707) 0.870 12.338 ( 1.131 -0.400 -2.831) 3.074 12.470 ( 0.491 -3.534 3.583) 5.056 12.596 ( 4.006 1.588 -4.945) 6.559 12.803 ( 2.123 0.377 -1.319) 2.528 12.970 ( 5.630 0.941 3.429) 6.659 13.035 ( -4.675 -0.676 0.477) 4.747 13.168 ( 1.382 4.514 -2.578) 5.379 13.235 ( -0.895 9.033 6.167) 10.974 13.294 ( 3.107 2.917 1.101) 4.402 13.359 ( 0.980 0.989 -1.226) 1.855 13.464 ( -0.731 3.886 -4.040) 5.653 13.686 ( -2.179 2.736 1.512) 3.810 13.907 ( -1.917 8.407 -8.068) 11.809 14.184 ( 4.364 -0.677 4.708) 6.455 14.597 ( 2.872 1.622 -0.444) 3.328 14.692 ( 1.081 2.058 10.357) 10.615 14.714 ( 7.000 -1.175 4.552) 8.432 14.979 ( 6.853 -2.973 5.820) 9.470 15.365 ( -1.980 6.530 -11.019) 12.961 15.631 ( -14.798 -10.963 -2.616) 18.601 15.728 ( -10.050 -4.381 -6.549) 12.770 16.527 ( 1.242 -1.758 9.268) 9.514 16.740 ( -2.104 -3.087 -1.532) 4.037 16.962 ( -5.866 -0.545 1.784) 6.156 17.188 ( -2.066 -1.113 -12.530) 12.748 17.969 ( 12.724 -12.873 12.932) 22.245 18.348 ( 13.688 -14.210 -2.539) 19.893 ======================= Grid point 175 (88/108) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.575 5.762 7.038) 9.454 1.532 ( 2.376 1.717 -4.110) 5.048 2.055 ( 1.405 11.156 16.617) 20.063 2.363 ( 0.814 9.645 -14.878) 17.750 2.838 ( 4.030 17.391 6.915) 19.145 2.942 ( -7.639 7.337 -3.207) 11.067 3.091 ( -1.987 12.496 3.732) 13.192 3.152 ( 1.718 7.823 -1.688) 8.186 3.249 ( -5.693 9.255 6.725) 12.779 3.434 ( 6.703 9.313 -9.738) 15.049 3.647 ( 0.445 2.772 -0.154) 2.812 3.667 ( 5.868 3.211 -2.412) 7.111 4.035 ( 8.753 -0.053 1.826) 8.942 4.060 ( -16.442 -0.657 -0.540) 16.464 4.253 ( -4.788 5.595 5.740) 9.337 4.360 ( 6.292 4.600 -3.709) 8.632 4.637 ( -2.582 5.423 0.885) 6.071 4.682 ( -2.753 6.879 -1.489) 7.558 4.723 ( 6.210 8.080 0.801) 10.223 4.766 ( -4.834 5.327 -3.299) 7.914 4.915 ( 6.080 2.455 3.178) 7.287 4.969 ( -0.536 3.747 -2.708) 4.654 5.405 ( -3.818 -0.249 5.999) 7.115 5.484 ( 1.825 -0.925 1.234) 2.389 5.571 ( -2.435 5.089 -2.675) 6.243 5.634 ( 1.133 4.048 -5.773) 7.141 5.966 ( -3.074 -4.236 2.057) 5.624 6.012 ( 3.029 -4.519 -2.254) 5.889 6.157 ( 1.021 -3.930 4.687) 6.201 6.279 ( 1.948 -4.705 -6.473) 8.235 6.300 ( -3.949 2.657 6.465) 8.028 6.386 ( 3.343 -4.586 2.348) 6.142 6.454 ( 1.891 -3.047 -6.700) 7.599 6.475 ( 0.608 -6.413 -4.608) 7.920 6.670 ( -1.089 -5.699 6.481) 8.698 6.757 ( -2.846 -6.284 -1.377) 7.034 6.832 ( -1.236 -2.002 1.150) 2.619 6.858 ( 3.651 -4.202 -1.437) 5.749 7.124 ( -1.477 -3.522 1.057) 3.963 7.151 ( 2.269 -5.756 -2.143) 6.548 7.430 ( -4.222 2.016 1.807) 5.015 7.486 ( 4.025 0.286 -3.561) 5.382 7.613 ( -2.259 -1.585 0.440) 2.795 7.658 ( -0.542 -2.882 -4.391) 5.281 7.975 ( 5.279 -1.040 4.932) 7.299 7.991 ( -2.910 0.125 2.211) 3.657 8.061 ( 4.859 -7.483 6.871) 11.261 8.166 ( -2.139 -9.883 -3.558) 10.720 8.262 ( -1.982 -4.179 3.148) 5.596 8.361 ( -1.298 -4.850 -4.915) 7.026 8.624 ( -2.088 -1.993 0.196) 2.893 8.644 ( 3.524 -0.978 -1.444) 3.932 8.966 ( 1.988 0.692 5.895) 6.260 9.060 ( -3.398 -3.914 -3.386) 6.192 9.153 ( -2.026 -2.512 0.162) 3.231 9.181 ( 2.246 1.735 -2.894) 4.053 9.489 ( -1.048 2.991 2.750) 4.196 9.544 ( 0.448 2.861 -3.081) 4.228 9.624 ( 4.798 -1.385 0.621) 5.033 9.633 ( -3.595 -2.919 0.100) 4.632 9.909 ( 3.720 0.012 2.079) 4.261 9.949 ( -5.113 1.152 -1.900) 5.575 10.140 ( 0.668 1.722 3.400) 3.870 10.202 ( -1.240 1.618 -1.502) 2.532 10.294 ( 4.711 -2.031 3.073) 5.980 10.353 ( -4.572 -1.451 -3.601) 5.998 10.673 ( 2.177 0.869 7.812) 8.157 10.767 ( -2.485 -1.099 -0.673) 2.799 10.815 ( 0.496 -0.712 -0.795) 1.177 10.859 ( 2.011 0.268 -3.203) 3.791 11.141 ( 2.639 -2.229 6.771) 7.602 11.258 ( -9.115 1.930 0.479) 9.330 11.265 ( 3.916 -3.656 -3.440) 6.367 11.317 ( 2.305 0.065 -4.791) 5.317 11.745 ( -5.566 -2.021 5.597) 8.148 11.821 ( 4.045 -0.645 -2.426) 4.761 11.920 ( 1.267 4.177 1.850) 4.741 11.953 ( -2.062 -0.763 -0.523) 2.260 12.107 ( -5.467 -1.567 -0.403) 5.701 12.224 ( 5.376 -4.461 -8.680) 11.142 12.328 ( 0.145 0.429 1.518) 1.585 12.362 ( 1.367 -1.607 -2.303) 3.123 12.471 ( 0.767 0.664 9.448) 9.502 12.664 ( 0.090 2.014 -9.281) 9.498 12.841 ( 2.483 -0.485 0.212) 2.539 12.871 ( -2.969 -1.736 -2.444) 4.220 13.198 ( 3.716 5.365 7.100) 9.643 13.318 ( -1.658 6.017 -1.171) 6.350 13.367 ( -2.755 5.033 -2.576) 6.290 13.389 ( 0.098 3.707 -2.127) 4.274 13.471 ( 1.369 5.493 7.369) 9.292 13.515 ( 1.341 7.398 -1.034) 7.590 13.774 ( 0.184 5.957 7.693) 9.732 14.021 ( -3.129 10.176 -13.739) 17.381 14.283 ( 4.064 -3.212 7.717) 9.294 14.444 ( -6.590 -2.948 -8.343) 11.033 14.797 ( 1.191 -6.118 11.846) 13.385 14.965 ( -3.141 -5.027 1.458) 6.105 14.981 ( 0.541 -3.594 7.432) 8.273 15.052 ( 4.534 -3.734 -1.742) 6.127 15.321 ( -1.347 -3.842 3.605) 5.439 15.619 ( -0.186 1.587 -21.648) 21.707 16.567 ( 1.104 -0.974 5.868) 6.050 16.649 ( 0.025 -2.836 -3.032) 4.152 16.969 ( -0.341 4.003 7.125) 8.180 17.128 ( -0.848 4.635 -8.507) 9.725 17.875 ( 1.561 -16.811 13.074) 21.354 18.099 ( -0.608 -15.727 -9.775) 18.527 ======================= Grid point 176 (89/108) ======================= q-point: ( 0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 21.196 6.121 5.426) 22.720 1.788 ( 22.020 2.310 -2.729) 22.309 2.193 ( 3.744 11.734 9.326) 15.450 2.310 ( 2.728 6.901 -14.248) 16.065 2.849 ( 2.986 10.052 0.160) 10.487 2.891 ( -8.306 11.139 2.426) 14.105 3.031 ( -10.740 10.983 11.257) 19.044 3.122 ( 5.923 10.136 -0.298) 11.744 3.237 ( 1.423 9.935 -2.160) 10.267 3.445 ( -1.536 8.562 -1.256) 8.789 3.596 ( -5.427 2.064 -7.969) 9.860 3.788 ( 7.625 5.502 -6.279) 11.307 3.878 ( -0.108 4.003 0.789) 4.082 4.061 ( -3.183 4.656 11.819) 13.096 4.371 ( -0.841 7.161 0.953) 7.273 4.482 ( 13.497 -0.213 0.658) 13.514 4.601 ( 3.478 5.482 -3.557) 7.403 4.657 ( 1.631 2.483 6.205) 6.880 4.741 ( 2.778 1.571 -2.528) 4.072 4.855 ( 6.266 3.249 -1.061) 7.138 4.979 ( 3.397 5.543 -5.957) 8.818 5.034 ( 1.996 2.494 -0.127) 3.197 5.394 ( -1.333 -0.758 5.865) 6.062 5.453 ( 0.753 0.221 3.550) 3.636 5.584 ( 4.897 0.588 -4.595) 6.741 5.732 ( 4.767 4.928 -0.306) 6.864 5.875 ( -6.664 -0.480 0.271) 6.687 6.082 ( 3.401 -6.486 -0.699) 7.357 6.145 ( -8.874 2.380 2.231) 9.454 6.154 ( -3.796 -4.764 -1.637) 6.307 6.331 ( -5.566 -3.503 3.554) 7.476 6.403 ( 6.467 -6.179 -2.548) 9.300 6.418 ( -3.147 -0.137 -6.227) 6.978 6.457 ( -2.592 -4.595 -3.903) 6.562 6.581 ( -6.020 -1.800 3.329) 7.111 6.675 ( -5.628 -2.169 2.101) 6.387 6.845 ( 2.523 -7.558 1.320) 8.076 6.927 ( 3.252 -1.590 -3.255) 4.868 7.141 ( 2.826 -1.155 2.634) 4.032 7.224 ( 7.111 -7.870 -3.996) 11.334 7.348 ( -2.624 2.760 1.151) 3.978 7.515 ( -1.942 -2.594 0.813) 3.341 7.612 ( -0.403 -1.536 0.306) 1.618 7.682 ( 1.815 -4.580 0.637) 4.968 7.873 ( -1.344 2.604 -1.168) 3.154 8.004 ( -3.879 -3.535 -3.598) 6.363 8.065 ( -2.476 -4.751 1.202) 5.491 8.277 ( 8.872 -3.897 -1.283) 9.775 8.390 ( 8.150 -8.520 5.150) 12.866 8.409 ( 7.513 -5.638 -0.410) 9.402 8.541 ( -5.253 1.769 -0.862) 5.609 8.680 ( 1.762 -3.587 -1.197) 4.172 8.961 ( -6.848 4.433 4.242) 9.194 8.996 ( -1.017 -2.471 -3.946) 4.766 9.149 ( 6.434 -8.992 0.458) 11.066 9.248 ( 1.731 0.040 1.626) 2.376 9.447 ( -7.668 3.995 -1.525) 8.779 9.455 ( -3.349 0.955 1.362) 3.740 9.557 ( -3.903 -1.453 -1.107) 4.309 9.697 ( -3.285 0.276 -0.174) 3.301 9.775 ( -1.885 -2.389 -0.053) 3.044 10.024 ( 0.562 -5.225 3.022) 6.062 10.121 ( -6.929 0.757 -0.412) 6.982 10.135 ( 2.226 0.002 -1.136) 2.499 10.384 ( 6.781 2.320 -1.547) 7.332 10.414 ( 4.893 -0.110 2.005) 5.289 10.726 ( 1.900 -4.114 -4.274) 6.229 10.769 ( 1.986 1.412 6.201) 6.663 10.865 ( 5.012 -1.170 -0.832) 5.213 10.930 ( 3.972 4.867 -1.704) 6.509 11.078 ( -4.989 -1.979 -2.264) 5.825 11.211 ( -1.369 -0.779 6.902) 7.079 11.265 ( 3.158 -5.634 -3.686) 7.437 11.464 ( 8.320 0.890 -1.217) 8.455 11.653 ( -6.317 -1.602 6.192) 8.990 11.823 ( -1.345 -0.664 -0.161) 1.509 11.915 ( -1.924 1.690 -0.404) 2.592 11.951 ( -2.210 2.923 1.428) 3.932 12.035 ( 1.199 -1.411 -2.149) 2.837 12.270 ( -1.777 -2.623 0.057) 3.169 12.323 ( 1.408 -2.368 -0.798) 2.868 12.384 ( 3.572 0.360 -4.741) 5.948 12.543 ( 1.304 2.574 7.112) 7.675 12.593 ( -1.161 0.724 -8.972) 9.075 12.787 ( -4.048 0.453 -1.834) 4.467 12.884 ( 1.137 -2.558 1.422) 3.139 13.184 ( -6.414 6.454 -4.310) 10.068 13.272 ( -3.816 4.296 0.049) 5.746 13.318 ( 0.465 3.366 4.781) 5.866 13.383 ( 0.721 5.825 0.583) 5.899 13.540 ( 3.085 0.578 -1.311) 3.401 13.575 ( 3.509 10.474 -1.667) 11.171 13.793 ( -4.634 9.064 5.784) 11.708 13.908 ( -0.676 6.195 -2.583) 6.746 14.265 ( -6.730 -1.553 -5.051) 8.557 14.406 ( 1.495 -6.210 10.856) 12.596 14.660 ( -11.454 -5.364 0.562) 12.660 14.852 ( -2.881 3.680 0.923) 4.764 15.169 ( 2.739 1.455 16.335) 16.627 15.202 ( 7.556 -3.649 -10.886) 13.745 15.399 ( 7.625 -11.148 -2.512) 13.738 15.580 ( 9.260 -2.359 -7.121) 11.917 16.612 ( 0.076 -1.923 3.273) 3.797 16.631 ( 0.079 -2.242 -4.454) 4.987 17.020 ( 0.661 4.248 5.869) 7.275 17.089 ( 1.884 3.310 -3.736) 5.335 17.892 ( -6.973 -17.062 9.353) 20.669 17.933 ( -8.950 -12.411 -10.169) 18.373 ======================= Grid point 177 (90/108) ======================= q-point: ( 0.29 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 14.770 5.472 -2.779) 15.994 2.172 ( 13.407 8.329 -0.797) 15.803 2.310 ( 5.684 2.825 -1.150) 6.451 2.348 ( 10.938 15.655 1.711) 19.174 2.697 ( -12.240 8.071 0.860) 14.687 2.767 ( -15.408 10.117 3.709) 18.802 2.969 ( -0.888 8.245 1.227) 8.383 3.193 ( -12.579 3.301 0.784) 13.029 3.351 ( 20.485 10.240 -2.108) 22.999 3.525 ( 17.575 8.807 4.069) 20.075 3.583 ( 9.219 10.878 -4.713) 15.018 3.816 ( -2.716 8.855 3.149) 9.783 3.939 ( 5.036 7.057 -1.778) 8.850 4.141 ( 4.306 1.449 3.200) 5.557 4.320 ( -0.515 6.943 2.273) 7.324 4.688 ( 3.457 -0.844 -0.290) 3.570 4.722 ( 3.395 -1.046 -0.412) 3.577 4.745 ( 6.305 -0.212 -0.810) 6.360 4.839 ( 6.916 -0.259 0.123) 6.922 4.963 ( 3.333 1.406 -8.688) 9.411 4.986 ( 6.250 1.826 2.088) 6.838 5.088 ( 6.495 -0.656 -0.555) 6.552 5.368 ( -4.275 -2.664 5.866) 7.732 5.556 ( 1.517 -1.408 2.447) 3.205 5.615 ( 0.261 3.496 -6.461) 7.351 5.732 ( -3.632 5.446 1.297) 6.673 5.751 ( -6.159 0.494 0.697) 6.218 5.943 ( -14.325 -1.143 -4.263) 14.989 6.010 ( -6.077 0.599 1.196) 6.222 6.089 ( -5.973 -4.635 1.148) 7.647 6.155 ( -7.695 -5.321 1.271) 9.442 6.304 ( -4.906 -3.708 -2.330) 6.576 6.378 ( 0.493 -0.346 -3.403) 3.456 6.476 ( -1.514 -7.691 0.254) 7.843 6.576 ( -2.436 -0.679 3.871) 4.623 6.687 ( 8.955 2.868 2.748) 9.797 6.885 ( 1.878 -5.032 -7.914) 9.564 6.984 ( 5.141 -0.873 3.223) 6.130 7.242 ( 2.058 0.397 1.174) 2.403 7.319 ( -0.815 0.455 3.151) 3.286 7.349 ( 8.588 1.286 -5.432) 10.243 7.508 ( -1.504 -3.958 5.232) 6.730 7.576 ( 0.731 -4.288 -1.834) 4.720 7.673 ( -1.314 -4.878 1.545) 5.283 7.896 ( 0.868 2.485 -2.721) 3.786 7.963 ( -2.829 -1.848 0.634) 3.438 8.018 ( 1.044 -4.863 -0.197) 4.977 8.361 ( -2.061 3.316 -4.596) 6.030 8.413 ( 2.755 -1.144 -3.250) 4.411 8.538 ( 2.911 -4.772 1.611) 5.817 8.595 ( 7.744 -9.068 -0.017) 11.925 8.712 ( -0.942 -2.479 4.594) 5.304 8.902 ( 0.528 1.051 -0.790) 1.417 8.986 ( 2.386 -3.986 -2.329) 5.196 9.168 ( -7.060 2.227 4.851) 8.851 9.269 ( -7.803 3.272 -2.477) 8.817 9.365 ( 0.940 -2.226 -2.305) 3.340 9.397 ( 4.610 -6.635 3.573) 8.834 9.448 ( -6.697 -1.881 -0.974) 7.024 9.604 ( -0.987 0.062 1.066) 1.454 9.821 ( 2.765 -4.501 0.961) 5.370 9.975 ( -5.974 -0.073 -0.874) 6.038 10.046 ( 1.197 -10.796 -1.413) 10.954 10.172 ( -0.559 -4.155 1.061) 4.325 10.462 ( 4.502 2.163 -2.592) 5.628 10.533 ( 4.173 2.197 1.876) 5.076 10.748 ( 2.444 -3.891 -6.191) 7.709 10.787 ( -3.236 2.908 1.567) 4.624 10.925 ( 1.084 -2.402 0.349) 2.659 11.026 ( 8.027 2.132 4.237) 9.323 11.085 ( 4.261 -2.177 -4.358) 6.472 11.185 ( -4.780 0.821 6.119) 7.808 11.316 ( 2.617 -6.274 -2.069) 7.106 11.577 ( 4.768 -3.851 1.745) 6.372 11.626 ( -0.641 2.595 4.046) 4.849 11.810 ( -0.822 0.515 1.063) 1.439 11.877 ( -3.358 2.360 2.741) 4.935 11.902 ( 1.155 0.800 -2.029) 2.468 12.073 ( 2.900 0.176 -2.790) 4.028 12.165 ( -7.134 -1.896 0.329) 7.388 12.321 ( -2.551 -1.668 1.190) 3.272 12.463 ( 5.205 -2.094 -2.280) 6.056 12.510 ( -1.937 5.327 -8.755) 10.429 12.605 ( 2.730 2.974 0.641) 4.088 12.705 ( -4.131 0.511 1.508) 4.427 12.893 ( -1.321 -2.693 0.791) 3.102 13.044 ( -5.408 3.687 -1.017) 6.624 13.196 ( -2.350 -1.465 -2.953) 4.048 13.318 ( -0.487 6.584 0.432) 6.616 13.434 ( 0.121 6.905 5.591) 8.886 13.550 ( 0.112 6.668 -6.996) 9.666 13.583 ( -0.340 6.725 -6.263) 9.196 13.741 ( -0.018 2.906 2.523) 3.848 13.943 ( 0.067 5.397 11.685) 12.871 14.160 ( -1.936 2.702 -1.287) 3.565 14.369 ( -11.688 -4.767 4.135) 13.283 14.506 ( -1.740 -2.808 1.880) 3.800 14.940 ( 7.733 4.845 3.492) 9.770 15.076 ( -4.693 0.808 -17.721) 18.350 15.264 ( -2.343 4.805 16.008) 16.877 15.684 ( 18.179 -16.746 -0.653) 24.725 15.806 ( 13.910 -5.418 -0.672) 14.943 16.558 ( -4.505 -1.259 -6.780) 8.237 16.589 ( -4.994 -5.160 1.530) 7.342 17.080 ( 4.300 2.577 2.882) 5.783 17.154 ( 3.313 -0.027 3.648) 4.928 17.673 ( -10.029 -8.064 -8.862) 15.625 17.750 ( -11.411 -13.143 3.514) 17.757 ======================= Grid point 178 (91/108) ======================= q-point: ( 0.43 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 10.161 4.298 -7.311) 13.235 2.313 ( 6.153 13.952 0.924) 15.277 2.367 ( -14.565 2.878 7.908) 16.821 2.487 ( -3.359 13.020 -3.455) 13.883 2.592 ( 5.055 11.222 3.975) 12.933 2.631 ( 9.291 10.576 4.781) 14.867 2.857 ( -6.997 10.331 -3.264) 12.897 2.948 ( -10.892 1.375 -2.044) 11.167 3.616 ( 4.037 14.218 2.590) 15.005 3.692 ( -3.684 13.207 1.543) 13.798 3.913 ( 19.740 4.443 3.705) 20.570 3.980 ( 11.878 9.138 2.357) 15.170 4.111 ( 9.367 6.972 -3.975) 12.335 4.199 ( 10.334 0.758 -0.084) 10.362 4.375 ( -1.430 -1.956 1.493) 2.846 4.645 ( -6.669 -1.219 -7.097) 9.815 4.746 ( -1.588 -2.414 3.470) 4.516 4.779 ( -0.494 1.045 2.952) 3.170 4.866 ( -1.530 -1.703 -1.400) 2.683 4.939 ( 0.735 2.167 -7.401) 7.746 5.153 ( 6.168 -0.411 1.512) 6.364 5.276 ( -7.254 1.003 5.530) 9.176 5.338 ( 14.185 -3.557 -2.714) 14.874 5.489 ( -5.654 0.670 0.914) 5.766 5.544 ( -1.484 2.797 -4.900) 5.833 5.586 ( -12.904 -1.057 -0.754) 12.969 5.629 ( -1.293 0.550 -1.110) 1.791 5.737 ( -5.491 -0.415 2.234) 5.942 5.914 ( -2.297 -1.719 0.198) 2.876 5.981 ( -3.825 -2.971 0.261) 4.851 6.135 ( 2.461 -5.685 0.705) 6.235 6.208 ( -3.215 -3.134 -1.965) 4.901 6.380 ( -1.694 -6.763 2.680) 7.470 6.461 ( -0.215 -4.044 -1.135) 4.206 6.554 ( 1.958 4.178 1.382) 4.817 6.761 ( -4.835 1.702 -4.936) 7.117 6.963 ( 11.638 2.374 -1.581) 11.983 7.121 ( 0.435 -4.044 4.211) 5.855 7.181 ( -1.081 1.349 -1.105) 2.051 7.284 ( -4.708 1.291 3.495) 6.004 7.518 ( 8.439 2.471 -3.740) 9.556 7.551 ( -2.754 -4.558 6.295) 8.245 7.579 ( 3.944 0.978 0.457) 4.089 7.737 ( 6.160 -3.241 -0.035) 6.960 7.839 ( -3.304 -3.146 -3.669) 5.854 7.871 ( -5.283 -1.021 -0.243) 5.386 8.098 ( 4.833 -1.551 2.674) 5.737 8.307 ( -1.538 -0.241 -6.200) 6.393 8.444 ( 4.285 -2.874 -3.977) 6.515 8.502 ( -6.102 -3.288 0.087) 6.932 8.751 ( 6.351 -2.194 5.517) 8.694 8.780 ( 4.621 -4.248 1.262) 6.402 8.847 ( -5.287 -2.018 1.978) 5.994 8.969 ( -4.982 -1.344 -1.742) 5.446 9.066 ( -3.348 4.906 -0.143) 5.942 9.173 ( -4.456 -0.280 -3.299) 5.551 9.258 ( 1.963 2.302 -2.023) 3.640 9.341 ( -5.215 3.902 1.756) 6.746 9.633 ( 10.986 -11.685 2.644) 16.255 9.650 ( 2.498 -5.861 3.985) 7.515 9.854 ( -1.834 -1.006 -3.152) 3.783 9.863 ( -3.072 -6.019 -0.238) 6.762 10.072 ( 1.665 -11.743 -0.106) 11.861 10.136 ( -2.082 -8.005 -1.160) 8.352 10.535 ( 3.937 1.104 -2.103) 4.598 10.569 ( -1.783 1.956 1.700) 3.146 10.710 ( -3.779 1.686 1.389) 4.365 10.751 ( 0.913 -1.514 -4.261) 4.613 10.964 ( 0.648 -2.739 1.784) 3.333 11.041 ( -1.846 -1.744 -1.261) 2.835 11.145 ( -2.176 -0.063 7.069) 7.397 11.254 ( 8.454 0.891 -4.477) 9.608 11.364 ( 5.499 -6.620 0.830) 8.646 11.568 ( -7.629 -0.390 0.756) 7.676 11.701 ( 3.915 -3.222 2.888) 5.835 11.791 ( -0.873 1.125 0.927) 1.699 11.859 ( 1.093 2.963 3.413) 4.650 11.960 ( 2.327 -0.380 -2.224) 3.241 12.053 ( -0.701 1.557 0.834) 1.900 12.142 ( 4.884 -0.674 -1.529) 5.162 12.250 ( -5.017 -0.923 0.528) 5.129 12.354 ( -6.257 3.095 -8.470) 10.976 12.574 ( 4.941 1.774 -0.322) 5.259 12.630 ( -2.852 1.438 1.751) 3.642 12.689 ( 4.975 2.512 -2.172) 5.981 12.813 ( -6.112 2.431 -2.273) 6.959 12.997 ( -1.549 -2.401 5.427) 6.133 13.145 ( 0.244 -4.575 -6.405) 7.874 13.337 ( 1.021 8.016 2.410) 8.433 13.430 ( -3.671 6.328 5.955) 9.433 13.484 ( -1.768 10.958 -6.924) 13.083 13.538 ( 1.025 3.968 -6.312) 7.526 13.821 ( 5.081 0.596 4.587) 6.871 14.027 ( -0.081 4.386 8.493) 9.559 14.092 ( -5.894 -0.806 -0.605) 5.980 14.226 ( -1.357 3.635 2.349) 4.536 14.523 ( 1.071 -2.517 3.789) 4.673 14.824 ( -6.646 -0.737 -14.516) 15.982 15.138 ( -1.432 2.789 15.654) 15.965 15.319 ( 6.718 10.915 -1.804) 12.944 16.015 ( 14.487 -8.299 1.098) 16.732 16.080 ( 14.824 -13.976 0.090) 20.374 16.374 ( -10.289 -2.353 -5.603) 11.950 16.422 ( -11.730 -9.232 -1.843) 15.041 17.229 ( 5.540 -1.439 7.364) 9.327 17.233 ( 3.741 -1.539 4.702) 6.203 17.475 ( -4.973 -4.077 -7.650) 9.994 17.537 ( -9.535 -7.663 -3.208) 12.646 ======================= Grid point 179 (92/108) ======================= q-point: (-0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -16.704 6.701 9.993) 20.586 2.265 ( -9.904 19.037 4.756) 21.980 2.499 ( 12.256 8.145 -5.857) 15.839 2.515 ( 8.316 4.390 -3.133) 9.912 2.642 ( -8.659 15.600 -1.565) 17.911 2.729 ( -2.444 5.258 -1.073) 5.897 2.805 ( 6.189 2.801 0.202) 6.796 2.919 ( 13.130 7.022 -0.404) 14.895 3.543 ( -8.513 16.569 6.012) 19.574 3.766 ( 5.739 11.677 -2.330) 13.218 3.950 ( -28.667 5.534 -0.180) 29.196 4.010 ( -4.208 7.741 2.330) 9.114 4.124 ( -8.962 5.623 -3.905) 11.278 4.171 ( -1.451 3.357 -0.867) 3.758 4.438 ( -5.089 -2.980 -3.789) 7.010 4.495 ( 5.180 -0.531 6.350) 8.212 4.760 ( -0.355 -1.578 3.508) 3.863 4.814 ( -1.729 -3.277 1.886) 4.157 4.819 ( 0.897 1.388 -2.122) 2.690 4.931 ( 2.040 2.482 -4.953) 5.904 5.150 ( -5.568 -3.067 2.346) 6.776 5.290 ( -4.110 -0.301 0.491) 4.151 5.367 ( 3.111 -0.750 -1.244) 3.433 5.462 ( 1.180 2.130 2.988) 3.855 5.538 ( 2.766 0.803 -4.150) 5.051 5.564 ( 7.278 -2.255 -1.053) 7.692 5.646 ( 3.688 0.980 -1.062) 3.961 5.737 ( 7.920 0.265 0.881) 7.974 5.913 ( 0.694 -2.982 1.354) 3.348 6.011 ( 6.794 -1.919 -2.555) 7.508 6.121 ( -2.996 -2.858 1.418) 4.377 6.228 ( 4.097 -5.001 -3.829) 7.514 6.399 ( 1.074 -6.955 2.442) 7.449 6.436 ( 1.762 -7.133 0.278) 7.353 6.595 ( -4.493 6.115 -1.918) 7.827 6.674 ( 3.334 3.131 2.352) 5.143 6.933 ( -12.099 1.063 1.449) 12.232 7.150 ( 6.355 -0.554 0.763) 6.425 7.197 ( -3.729 -4.816 -2.123) 6.450 7.342 ( 8.007 1.597 0.195) 8.167 7.441 ( -7.766 2.733 2.048) 8.483 7.563 ( -2.312 -0.231 0.505) 2.377 7.684 ( -5.516 -3.976 -3.926) 7.852 7.720 ( 1.984 -3.890 1.924) 4.771 7.813 ( 3.508 -0.502 -3.558) 5.021 7.896 ( 6.442 0.531 -1.788) 6.706 8.184 ( -5.337 -2.424 -5.284) 7.892 8.193 ( -0.320 0.721 4.425) 4.495 8.384 ( -2.886 -2.960 1.124) 4.284 8.532 ( 2.591 -1.073 -2.534) 3.780 8.724 ( -4.780 1.834 4.980) 7.143 8.777 ( -7.135 -8.844 4.125) 12.088 8.879 ( -0.933 -3.203 -0.042) 3.337 8.947 ( 6.013 -3.120 0.686) 6.809 9.081 ( 0.614 0.827 -1.380) 1.722 9.118 ( 7.859 3.900 0.355) 8.781 9.263 ( -1.629 2.651 -1.409) 3.416 9.360 ( 5.962 5.696 -0.353) 8.253 9.657 ( -6.261 -9.900 1.214) 11.776 9.699 ( -5.446 -7.231 -1.411) 9.162 9.831 ( 3.876 -5.593 0.156) 6.807 9.867 ( 3.814 -2.532 -1.802) 4.920 10.033 ( -5.508 -11.048 2.738) 12.645 10.163 ( 5.239 -7.320 -3.085) 9.516 10.494 ( -5.820 0.847 3.120) 6.657 10.589 ( 1.672 0.032 -0.843) 1.873 10.661 ( -2.285 0.773 2.155) 3.234 10.752 ( 0.771 1.237 -1.022) 1.780 10.949 ( -2.059 -0.643 2.220) 3.096 11.032 ( -1.832 -3.437 2.836) 4.817 11.168 ( 0.345 -0.999 0.325) 1.106 11.288 ( 1.139 -0.068 -6.122) 6.227 11.389 ( -6.761 -3.434 -1.541) 7.738 11.544 ( 6.808 -4.951 4.635) 9.610 11.675 ( -4.732 1.914 2.662) 5.757 11.844 ( 2.848 -1.416 -2.985) 4.362 11.912 ( 1.463 1.576 0.880) 2.324 11.931 ( -0.569 0.017 -2.169) 2.242 12.127 ( -0.285 -2.213 0.449) 2.276 12.171 ( -0.849 -0.264 -3.377) 3.492 12.197 ( 3.476 5.080 0.942) 6.227 12.274 ( 4.020 -0.606 -2.852) 4.966 12.579 ( -3.412 2.366 -0.366) 4.168 12.648 ( -0.745 3.522 0.151) 3.603 12.684 ( -0.504 -1.450 -1.283) 2.000 12.795 ( 5.782 4.244 -1.536) 7.335 13.013 ( -0.469 -3.601 6.065) 7.069 13.137 ( 3.086 -4.271 -7.714) 9.342 13.335 ( -3.660 8.232 3.536) 9.678 13.381 ( -3.815 6.486 5.866) 9.541 13.464 ( 3.234 8.830 -3.262) 9.953 13.556 ( 3.721 5.115 -5.588) 8.440 13.880 ( -6.711 -0.883 -0.449) 6.784 13.986 ( 5.868 1.877 3.645) 7.159 14.135 ( 0.973 3.657 8.605) 9.401 14.244 ( 2.611 3.864 -3.743) 5.980 14.594 ( 3.151 -4.635 6.768) 8.787 14.659 ( -2.498 2.534 -9.182) 9.847 15.077 ( -11.549 4.191 14.266) 18.827 15.480 ( 10.335 8.608 -10.390) 16.996 16.072 ( -14.397 -8.363 -3.452) 17.004 16.121 ( -11.870 -6.864 -3.450) 14.139 16.283 ( 6.339 -1.913 2.605) 7.115 16.388 ( 13.823 -16.413 0.640) 21.468 17.238 ( -8.622 -3.181 5.031) 10.477 17.304 ( -1.806 -3.675 5.631) 6.962 17.403 ( 0.299 -2.138 -6.261) 6.623 17.526 ( 13.995 -4.980 -2.778) 15.112 ======================= Grid point 180 (93/108) ======================= q-point: (-0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -11.765 8.818 13.768) 20.143 2.074 ( -14.164 17.409 5.342) 23.070 2.317 ( -18.959 5.180 -1.151) 19.688 2.507 ( -4.168 8.734 -8.620) 12.960 2.722 ( 9.600 6.932 -1.763) 11.972 2.855 ( 15.639 7.310 -3.748) 17.665 2.974 ( 7.636 5.557 1.140) 9.513 3.187 ( 11.855 3.877 1.381) 12.549 3.328 ( -21.636 14.032 -0.947) 25.805 3.450 ( -11.741 14.961 5.241) 19.727 3.614 ( -18.698 5.869 -2.265) 19.728 3.883 ( -3.676 6.278 -1.742) 7.481 3.907 ( -5.323 5.402 1.282) 7.691 4.250 ( 4.608 4.657 -7.729) 10.132 4.360 ( 1.291 6.679 -1.048) 6.883 4.567 ( -3.990 -2.892 6.211) 7.928 4.694 ( -7.925 -1.777 3.109) 8.697 4.767 ( -3.837 -2.803 3.863) 6.124 4.824 ( -0.155 2.356 0.225) 2.372 4.860 ( -6.244 4.364 -0.125) 7.619 5.025 ( -8.490 -1.675 -2.127) 8.911 5.103 ( -6.131 -2.338 -1.406) 6.711 5.393 ( -0.914 1.901 3.171) 3.809 5.589 ( 4.642 1.019 -3.084) 5.665 5.611 ( -1.248 -2.744 -3.796) 4.848 5.716 ( 8.790 5.351 2.630) 10.621 5.782 ( 8.009 -0.700 -0.710) 8.071 5.875 ( 5.816 1.532 1.505) 6.200 6.005 ( 5.618 -2.252 -0.009) 6.053 6.092 ( 6.809 -1.521 0.869) 7.030 6.186 ( 8.534 -4.650 -0.987) 9.769 6.281 ( 4.054 -5.122 -1.046) 6.616 6.360 ( -3.907 -0.322 -0.516) 3.954 6.483 ( 3.202 -8.235 -0.348) 8.843 6.644 ( 2.300 -1.139 -3.056) 3.991 6.717 ( 1.554 -3.624 3.024) 4.970 6.761 ( -3.979 3.609 1.349) 5.539 7.064 ( -8.459 -5.715 -5.196) 11.455 7.203 ( -2.940 0.301 4.082) 5.040 7.309 ( -6.177 -2.674 -0.384) 6.742 7.396 ( -0.536 3.550 -3.261) 4.850 7.531 ( 1.983 -3.070 2.512) 4.435 7.599 ( -1.181 -0.564 -3.284) 3.535 7.711 ( 0.591 -7.298 -2.743) 7.818 7.873 ( -1.078 6.184 -1.122) 6.376 7.970 ( 2.726 -1.329 1.250) 3.280 8.030 ( -5.784 -6.263 -2.800) 8.973 8.248 ( 3.401 4.700 6.584) 8.775 8.370 ( -3.285 -2.457 0.754) 4.171 8.500 ( -2.348 -7.517 4.044) 8.853 8.594 ( -8.609 -2.394 0.980) 8.990 8.802 ( 7.368 -2.095 -3.745) 8.527 8.878 ( -1.013 -2.283 1.562) 2.946 8.930 ( -5.602 -2.293 2.462) 6.535 9.185 ( 5.924 -0.228 2.996) 6.642 9.258 ( 3.048 -4.143 0.136) 5.145 9.354 ( 11.660 6.100 -2.738) 13.441 9.448 ( 1.537 1.416 -0.229) 2.102 9.480 ( -5.428 -6.481 -4.246) 9.461 9.629 ( 0.453 -1.989 -1.656) 2.627 9.825 ( -4.952 -5.130 0.226) 7.133 9.953 ( 5.747 0.253 0.564) 5.780 9.990 ( -0.566 -8.713 4.784) 9.956 10.230 ( 2.176 -3.595 -4.565) 6.204 10.418 ( -2.828 0.349 3.017) 4.150 10.556 ( -5.306 0.451 -0.197) 5.329 10.643 ( -1.458 -0.519 2.718) 3.128 10.787 ( 2.275 1.612 1.470) 3.152 10.912 ( -3.851 -2.764 1.884) 5.101 10.966 ( -5.748 1.333 5.744) 8.235 11.107 ( -4.583 -0.954 -2.768) 5.438 11.198 ( -4.961 -3.218 1.517) 6.105 11.422 ( 7.100 -1.290 -9.374) 11.830 11.536 ( -6.729 -2.789 4.870) 8.762 11.685 ( 2.094 1.268 -2.028) 3.179 11.822 ( -2.613 -0.816 1.050) 2.932 11.878 ( -1.225 3.873 -0.976) 4.178 11.979 ( 3.854 -1.403 -2.673) 4.896 12.116 ( 3.016 -4.693 -6.108) 8.272 12.190 ( 5.205 -2.053 -5.002) 7.505 12.315 ( 1.211 0.619 6.277) 6.422 12.336 ( 3.317 1.667 2.766) 4.630 12.448 ( -8.050 -0.475 -1.212) 8.154 12.632 ( 2.112 3.849 -1.998) 4.824 12.753 ( 4.342 0.093 -1.844) 4.718 12.885 ( 3.811 1.163 0.630) 4.034 13.040 ( 0.067 -2.197 2.956) 3.684 13.169 ( 3.948 -1.669 -3.472) 5.516 13.288 ( -1.954 8.093 3.916) 9.201 13.385 ( -0.284 5.361 7.374) 9.121 13.510 ( 1.608 10.587 -1.071) 10.762 13.582 ( 1.946 3.298 -6.289) 7.364 13.767 ( -3.581 0.406 -0.795) 3.690 14.098 ( 2.042 4.002 4.761) 6.547 14.165 ( 1.107 8.294 -4.403) 9.456 14.351 ( 9.814 -4.132 2.292) 10.892 14.607 ( 1.758 3.135 -7.004) 7.872 14.730 ( 4.025 -5.372 12.987) 14.619 14.915 ( -10.697 6.082 7.522) 14.422 15.510 ( -3.580 -3.567 -7.829) 9.318 15.755 ( -14.182 -6.495 -4.846) 16.334 15.878 ( -6.950 -2.571 -9.652) 12.168 16.423 ( 3.892 0.236 6.630) 7.692 16.596 ( 6.671 -10.699 -0.121) 12.609 17.078 ( -7.927 -0.380 1.615) 8.098 17.265 ( -1.979 -1.012 -4.327) 4.865 17.489 ( 6.648 -6.698 7.984) 12.361 17.813 ( 15.823 -10.160 -2.790) 19.010 ======================= Grid point 181 (94/108) ======================= q-point: (-0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -20.153 6.343 6.802) 22.196 1.740 ( -19.444 6.727 3.296) 20.837 2.010 ( -8.541 9.564 10.157) 16.358 2.421 ( 0.834 10.380 -10.056) 14.476 2.839 ( -4.066 12.708 1.400) 13.416 2.932 ( 2.606 10.389 -1.613) 10.831 3.097 ( 6.644 8.245 1.421) 10.684 3.186 ( -2.615 6.337 1.949) 7.127 3.245 ( 2.286 10.018 -5.387) 11.602 3.360 ( -3.158 11.426 2.584) 12.133 3.533 ( 10.051 3.588 -0.781) 10.700 3.730 ( -7.635 5.389 0.588) 9.364 3.884 ( 1.513 3.268 0.383) 3.621 4.266 ( 3.882 4.963 -7.735) 9.977 4.367 ( -9.943 1.115 1.254) 10.083 4.459 ( -14.653 -0.915 2.866) 14.959 4.541 ( 5.933 7.603 -0.235) 9.647 4.691 ( -3.307 0.436 1.941) 3.859 4.791 ( -1.175 3.255 -3.496) 4.919 4.845 ( -1.999 4.760 2.085) 5.568 4.869 ( -5.768 6.265 0.919) 8.565 5.027 ( -2.193 0.262 0.522) 2.269 5.404 ( -1.697 0.227 5.454) 5.716 5.496 ( -3.803 3.041 0.615) 4.908 5.600 ( -0.856 -3.263 -7.782) 8.481 5.750 ( -2.953 5.646 -2.114) 6.713 5.906 ( 6.474 -1.061 -2.848) 7.152 6.033 ( 3.138 -4.337 5.399) 7.603 6.083 ( 1.791 -5.661 1.990) 6.262 6.202 ( 3.327 3.236 0.927) 4.733 6.290 ( 2.973 -1.202 1.754) 3.655 6.389 ( 4.764 -7.899 0.053) 9.224 6.408 ( 2.184 -4.326 -2.823) 5.609 6.452 ( -0.201 -3.816 -2.618) 4.632 6.611 ( 2.124 -3.929 -0.410) 4.485 6.726 ( 3.505 1.061 -3.361) 4.970 6.845 ( 3.116 -5.575 1.796) 6.635 6.891 ( -6.601 -4.781 -0.134) 8.152 7.152 ( -3.006 -4.392 2.555) 5.904 7.182 ( -4.850 -2.560 -1.214) 5.617 7.385 ( 1.880 -0.586 -2.163) 2.925 7.551 ( -0.337 1.461 -1.815) 2.354 7.650 ( 0.099 -2.969 -3.209) 4.373 7.706 ( 1.212 -3.234 -1.198) 3.655 7.824 ( 0.645 4.143 3.398) 5.397 7.931 ( -0.882 -4.561 2.695) 5.371 8.037 ( 0.518 -1.474 3.637) 3.959 8.257 ( -6.855 -9.278 0.849) 11.567 8.343 ( -1.495 -3.616 4.804) 6.196 8.430 ( -3.668 -6.266 0.116) 7.261 8.570 ( 3.156 2.571 -0.697) 4.130 8.703 ( -6.960 -3.675 -4.471) 9.051 8.912 ( 0.410 -2.275 4.801) 5.328 9.014 ( 9.938 1.025 -1.383) 10.086 9.170 ( -5.791 -7.362 -1.603) 9.503 9.271 ( -2.836 0.836 -0.384) 2.981 9.446 ( 4.373 4.019 -1.228) 6.065 9.477 ( 4.372 -1.030 -1.407) 4.707 9.558 ( 5.094 1.316 -0.481) 5.283 9.689 ( 0.547 -0.751 0.225) 0.956 9.755 ( 3.072 -2.911 1.389) 4.454 10.030 ( 1.458 -1.211 3.543) 4.018 10.089 ( 6.227 0.606 1.592) 6.456 10.161 ( -4.209 -0.540 -3.032) 5.216 10.396 ( -9.534 0.438 -0.910) 9.587 10.425 ( 0.116 -1.891 -0.293) 1.917 10.628 ( -1.718 -0.515 4.229) 4.594 10.777 ( -3.091 -0.357 4.724) 5.657 10.876 ( -1.708 -0.263 -0.200) 1.740 10.907 ( -4.938 1.272 0.138) 5.101 11.048 ( 2.816 -0.838 0.338) 2.957 11.165 ( 0.785 -3.308 2.866) 4.447 11.393 ( -3.373 -1.021 -5.612) 6.626 11.444 ( -6.856 0.058 -0.873) 6.911 11.723 ( 5.376 -0.698 -2.823) 6.112 11.790 ( -2.279 -1.363 3.766) 4.608 11.891 ( 1.507 5.756 0.376) 5.962 11.999 ( -1.068 -1.966 -0.838) 2.389 12.141 ( 4.444 -5.623 -10.856) 13.009 12.274 ( 0.592 -2.151 -1.405) 2.637 12.285 ( -3.160 -0.178 0.495) 3.203 12.345 ( 0.398 -3.653 1.365) 3.920 12.412 ( 0.371 1.865 7.673) 7.905 12.674 ( 3.394 4.946 -5.197) 7.937 12.802 ( 2.415 0.315 -2.698) 3.635 12.920 ( -0.463 -4.743 -1.569) 5.017 13.089 ( 3.154 4.814 5.438) 7.917 13.244 ( 4.799 2.609 0.482) 5.484 13.332 ( 2.952 2.880 5.305) 6.720 13.423 ( -0.671 5.874 6.067) 8.471 13.482 ( -3.616 10.997 -1.786) 11.713 13.550 ( -1.053 4.949 -5.622) 7.563 13.739 ( 0.066 3.101 1.736) 3.555 14.130 ( -0.064 9.723 -9.564) 13.639 14.175 ( 3.407 0.574 2.645) 4.351 14.577 ( 5.496 -2.136 2.568) 6.432 14.601 ( 2.683 -6.295 -3.065) 7.498 14.799 ( 1.599 4.595 7.497) 8.937 14.926 ( 4.447 -1.904 12.653) 13.547 15.264 ( -15.782 -13.294 -2.011) 20.733 15.479 ( -11.899 -4.004 -3.144) 12.942 15.744 ( 0.339 2.989 -19.841) 20.068 16.510 ( 1.076 0.051 7.134) 7.215 16.657 ( 0.974 -4.825 -1.081) 5.040 16.976 ( -4.073 2.230 3.892) 6.059 17.198 ( -1.146 2.302 -7.901) 8.309 17.700 ( 7.426 -13.108 12.816) 19.779 18.051 ( 10.301 -14.698 -6.451) 19.072 ======================= Grid point 182 (95/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.888 3.060 2.028) 3.777 1.554 ( 0.878 0.400 -2.962) 3.115 2.252 ( 0.873 8.303 11.780) 14.438 2.447 ( -0.185 -0.182 -8.305) 8.309 3.051 ( -1.280 5.784 1.618) 6.141 3.087 ( 0.976 5.325 -1.614) 5.649 3.291 ( 3.650 5.818 3.890) 7.894 3.301 ( -4.843 7.352 1.347) 8.906 3.490 ( -7.974 11.662 4.492) 14.824 3.603 ( 7.708 3.804 -5.201) 10.046 3.710 ( -3.597 4.279 0.678) 5.631 3.766 ( 6.888 7.437 -4.942) 11.277 3.982 ( -1.664 -5.091 2.602) 5.954 4.024 ( -2.691 -2.788 -1.491) 4.152 4.359 ( -2.523 4.304 4.541) 6.746 4.427 ( 3.678 1.594 -1.796) 4.393 4.751 ( 0.108 5.016 -0.726) 5.069 4.788 ( 1.530 3.587 -3.680) 5.362 4.867 ( 2.624 6.010 0.314) 6.565 4.885 ( -7.315 5.617 -1.094) 9.287 4.992 ( 1.363 4.627 2.930) 5.643 5.051 ( 4.693 3.062 -2.757) 6.245 5.386 ( -3.121 -0.916 5.130) 6.075 5.449 ( -1.841 -2.616 -0.637) 3.261 5.662 ( 1.881 4.725 1.407) 5.277 5.732 ( 0.212 4.318 -4.991) 6.603 5.901 ( 3.429 -2.345 0.262) 4.162 5.925 ( -3.432 -4.012 -1.456) 5.477 6.081 ( 0.945 -2.793 3.062) 4.251 6.165 ( 0.390 -5.949 -5.272) 7.958 6.280 ( -0.893 -2.813 3.418) 4.516 6.290 ( -4.673 -4.203 0.486) 6.304 6.333 ( 5.204 -6.569 -1.479) 8.510 6.358 ( 2.619 -5.086 -4.387) 7.209 6.603 ( -0.441 -2.500 3.959) 4.703 6.661 ( 0.626 -4.714 -0.933) 4.846 6.813 ( -6.174 3.381 3.642) 7.926 6.872 ( 4.171 3.478 -1.762) 5.710 7.018 ( 0.525 -5.108 -0.343) 5.146 7.031 ( -0.045 -4.713 -0.791) 4.779 7.457 ( 0.314 -0.769 1.269) 1.517 7.468 ( -3.758 -1.521 0.034) 4.054 7.630 ( -2.089 0.690 -0.842) 2.356 7.652 ( 1.436 1.021 -2.882) 3.378 7.922 ( -1.104 -1.818 5.181) 5.600 7.978 ( 0.394 -3.079 2.770) 4.160 7.997 ( 7.829 -0.805 2.188) 8.169 8.027 ( -0.713 -0.120 -0.854) 1.119 8.235 ( -3.672 1.553 0.120) 3.988 8.294 ( 1.059 -1.096 -4.794) 5.030 8.505 ( -0.857 -8.522 0.622) 8.587 8.558 ( 0.221 -8.501 -3.950) 9.377 8.928 ( 2.226 -1.496 4.326) 5.090 8.966 ( -1.378 -2.815 0.578) 3.187 9.213 ( -0.958 5.494 1.168) 5.697 9.258 ( -1.382 3.867 -3.239) 5.231 9.507 ( -3.564 -2.817 1.740) 4.864 9.547 ( 5.988 -3.361 -2.421) 7.281 9.631 ( 2.433 5.709 2.529) 6.702 9.685 ( -3.360 6.595 -2.863) 7.936 9.883 ( 4.020 -2.811 3.132) 5.819 9.943 ( -8.438 -2.456 -3.043) 9.300 10.187 ( 1.997 2.330 3.687) 4.797 10.233 ( 0.031 0.628 1.137) 1.300 10.277 ( 2.342 0.764 0.400) 2.496 10.330 ( -0.757 -0.921 -4.543) 4.697 10.677 ( 2.932 0.062 5.196) 5.966 10.734 ( -4.729 -1.601 -1.070) 5.106 10.796 ( -0.111 -1.446 0.426) 1.512 10.811 ( 3.425 -3.504 0.523) 4.928 11.166 ( 3.207 3.571 2.586) 5.452 11.237 ( -1.036 1.215 -3.492) 3.840 11.280 ( -8.732 -0.151 1.036) 8.795 11.322 ( 5.243 -0.477 -3.817) 6.503 11.711 ( -5.692 -0.750 8.177) 9.991 11.791 ( 1.137 -2.564 1.591) 3.224 11.933 ( 0.603 -0.752 -1.752) 2.000 11.951 ( 1.635 -0.931 -2.046) 2.780 12.111 ( -0.527 3.029 -1.974) 3.654 12.148 ( 2.554 -2.537 -5.611) 6.667 12.266 ( 2.460 -5.575 2.512) 6.591 12.311 ( -0.878 -2.424 -1.450) 2.958 12.518 ( 0.316 2.903 6.426) 7.058 12.649 ( -1.881 -3.136 -6.447) 7.412 12.845 ( 1.712 1.898 -0.606) 2.627 12.888 ( 0.969 1.037 -4.422) 4.645 13.291 ( 3.832 3.835 7.241) 9.046 13.390 ( 2.335 -0.990 -0.263) 2.549 13.424 ( -0.079 5.311 2.601) 5.915 13.487 ( -5.358 5.375 -4.775) 8.967 13.649 ( -1.487 8.938 5.075) 10.385 13.699 ( 2.183 9.791 -2.247) 10.280 13.854 ( 0.127 0.826 9.687) 9.723 14.094 ( -2.261 -4.594 -11.836) 12.896 14.238 ( 1.467 0.081 7.556) 7.698 14.399 ( -8.058 -2.525 -7.337) 11.186 14.648 ( 0.232 -4.876 10.129) 11.244 14.810 ( 0.447 -6.657 1.528) 6.845 14.938 ( 1.268 -0.240 3.736) 3.953 15.050 ( 5.740 0.410 -0.234) 5.760 15.312 ( -3.138 2.517 1.594) 4.328 15.573 ( -0.854 -6.090 -23.002) 23.809 16.559 ( 0.796 0.138 3.573) 3.663 16.600 ( 0.832 -1.958 -0.893) 2.307 17.086 ( -1.003 7.598 10.101) 12.680 17.269 ( -0.071 8.707 -6.808) 11.053 17.558 ( -0.154 -13.735 11.786) 18.100 17.791 ( 0.822 -14.421 -10.893) 18.091 ======================= Grid point 183 (96/108) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 22.357 2.943 1.540) 22.602 1.813 ( 22.802 0.371 -1.356) 22.845 2.357 ( 4.005 5.145 8.106) 10.403 2.403 ( 1.644 2.628 -8.382) 8.937 3.022 ( -0.575 7.047 2.274) 7.427 3.061 ( -10.244 5.841 0.088) 11.792 3.259 ( 3.809 4.845 -0.014) 6.163 3.296 ( -4.157 10.792 7.374) 13.716 3.372 ( -3.216 3.490 -1.918) 5.119 3.587 ( -9.102 1.816 -0.310) 9.286 3.715 ( 7.093 10.611 -2.245) 12.960 3.895 ( 7.377 4.418 -4.495) 9.702 3.944 ( 6.175 2.738 -1.762) 6.981 4.102 ( -1.413 -1.141 8.521) 8.712 4.456 ( 11.696 0.096 -0.708) 11.718 4.475 ( 1.462 0.888 -1.009) 1.985 4.707 ( -0.758 2.725 -1.056) 3.019 4.728 ( -4.225 4.366 -1.236) 6.200 4.789 ( -1.814 4.503 0.254) 4.862 4.917 ( 0.783 2.084 0.544) 2.292 5.057 ( 3.448 3.565 -2.499) 5.553 5.122 ( 1.917 3.470 -2.923) 4.926 5.376 ( -1.306 -0.279 3.950) 4.170 5.440 ( 0.876 -1.699 2.939) 3.506 5.614 ( 1.973 3.111 -2.419) 4.408 5.834 ( 2.477 3.960 1.133) 4.807 5.867 ( -0.861 -1.593 -2.367) 2.980 5.959 ( 0.499 -3.076 -0.118) 3.118 6.064 ( -2.317 -3.972 -2.481) 5.225 6.145 ( -6.777 -2.938 3.385) 8.125 6.216 ( -1.415 -5.208 0.880) 5.468 6.270 ( 0.602 -6.542 -2.051) 6.882 6.368 ( 1.591 -2.920 -2.779) 4.334 6.397 ( -0.622 -2.342 -5.858) 6.339 6.546 ( -3.537 -0.764 2.395) 4.339 6.665 ( -0.629 -7.939 -0.988) 8.025 6.723 ( -2.455 5.524 4.716) 7.667 6.930 ( 3.140 -0.928 -0.494) 3.312 7.093 ( 8.922 -2.109 -0.623) 9.189 7.114 ( 5.834 -3.040 0.822) 6.630 7.362 ( -1.519 0.597 0.876) 1.852 7.502 ( -0.894 -2.496 4.055) 4.845 7.619 ( -4.924 1.688 -0.802) 5.266 7.630 ( -0.877 -0.767 0.450) 1.249 7.862 ( -1.083 1.225 1.175) 2.013 8.024 ( 4.483 2.358 -4.677) 6.894 8.063 ( 0.800 3.047 -1.253) 3.390 8.185 ( 1.804 -8.213 1.470) 8.536 8.217 ( 9.811 -2.983 0.274) 10.258 8.322 ( 3.649 -1.688 -1.587) 4.323 8.485 ( -1.229 -7.875 1.309) 8.077 8.586 ( 3.254 -6.903 -0.465) 7.645 8.936 ( -0.951 -0.893 -1.308) 1.848 9.000 ( 2.586 -4.440 0.767) 5.195 9.106 ( -7.078 8.132 1.842) 10.937 9.257 ( 0.111 0.556 1.970) 2.049 9.441 ( -3.887 -0.805 -0.454) 3.995 9.551 ( -6.926 5.361 -2.344) 9.066 9.634 ( -0.204 -1.724 -2.194) 2.798 9.642 ( -2.215 1.724 3.410) 4.417 9.726 ( -7.887 -1.452 -1.302) 8.125 9.923 ( -4.020 -4.863 6.316) 8.927 10.137 ( -6.031 0.452 -1.704) 6.284 10.140 ( -2.815 0.475 -1.063) 3.047 10.423 ( 6.817 1.451 -0.421) 6.982 10.442 ( 9.417 2.044 -1.796) 9.802 10.652 ( -0.106 -2.574 -1.613) 3.040 10.725 ( -0.844 -4.307 2.454) 5.028 10.876 ( 7.973 1.460 1.511) 8.245 10.954 ( 8.464 -2.011 -2.156) 8.963 11.092 ( -8.199 2.876 -0.667) 8.714 11.169 ( -0.925 -2.809 -4.373) 5.279 11.247 ( 0.425 3.194 6.763) 7.492 11.435 ( 2.805 -3.795 0.926) 4.809 11.665 ( -1.599 2.706 5.801) 6.598 11.790 ( -0.227 -2.394 1.342) 2.754 11.945 ( 0.214 1.543 -0.625) 1.679 12.000 ( 1.328 0.840 -2.652) 3.083 12.029 ( -0.696 2.114 -4.100) 4.665 12.209 ( -0.975 -2.296 0.135) 2.498 12.241 ( 0.906 -5.144 -4.590) 6.954 12.336 ( 2.333 -4.699 -0.337) 5.257 12.579 ( 1.122 1.218 8.017) 8.187 12.605 ( 0.778 0.255 -4.318) 4.395 12.817 ( -2.959 2.105 -3.251) 4.874 12.868 ( 0.209 0.136 -4.949) 4.955 13.277 ( -6.437 2.787 -4.818) 8.509 13.314 ( -6.860 0.545 -3.237) 7.605 13.418 ( 1.002 5.995 5.564) 8.240 13.513 ( 2.850 5.101 3.553) 6.838 13.590 ( -2.321 5.416 1.258) 6.025 13.756 ( 0.866 6.044 -3.103) 6.850 13.902 ( -2.989 -0.151 8.193) 8.723 13.970 ( -2.534 -1.496 -4.344) 5.247 14.254 ( -2.640 1.636 -0.756) 3.196 14.351 ( 2.216 1.297 12.916) 13.169 14.618 ( -4.419 3.232 0.747) 5.525 14.895 ( -2.746 -1.342 9.074) 9.575 15.000 ( 13.823 -10.254 -7.266) 18.682 15.144 ( 3.270 -5.609 -10.429) 12.284 15.312 ( -1.152 1.642 6.964) 7.247 15.510 ( 7.131 -4.700 -7.129) 11.125 16.587 ( -0.119 -0.391 1.028) 1.106 16.606 ( 0.627 -0.744 -3.220) 3.364 17.123 ( -1.422 6.283 9.653) 11.606 17.210 ( -1.368 7.982 -5.898) 10.019 17.573 ( -5.119 -13.814 9.753) 17.668 17.680 ( -4.656 -12.250 -11.087) 17.166 ======================= Grid point 184 (97/108) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 12.559 2.446 -2.684) 13.074 2.219 ( 14.500 -1.293 4.375) 15.201 2.453 ( 7.624 8.510 -2.712) 11.743 2.552 ( 13.931 5.048 1.064) 14.855 2.803 ( -14.756 4.571 2.107) 15.591 2.972 ( -7.861 0.396 1.760) 8.065 3.127 ( -9.351 13.604 1.609) 16.587 3.327 ( -6.768 8.581 -0.406) 10.936 3.509 ( 17.462 4.137 0.655) 17.957 3.629 ( 19.340 1.348 2.381) 19.533 3.830 ( 6.193 11.347 -2.590) 13.184 3.984 ( -0.604 8.183 4.003) 9.130 4.054 ( 8.017 1.709 -4.673) 9.435 4.142 ( 2.174 0.798 5.647) 6.103 4.458 ( -2.196 4.436 0.076) 4.951 4.640 ( 1.189 -3.365 -5.828) 6.833 4.722 ( 0.197 0.188 2.236) 2.252 4.730 ( 5.443 0.414 0.585) 5.490 4.819 ( 9.779 -2.351 -2.498) 10.363 4.890 ( -1.876 -3.792 -2.017) 4.687 5.105 ( 2.814 5.041 -3.908) 6.972 5.131 ( 3.254 4.267 -1.903) 5.693 5.339 ( -2.365 0.603 3.532) 4.293 5.498 ( 0.163 -3.772 1.313) 3.998 5.678 ( 3.076 2.396 -0.170) 3.902 5.779 ( -7.578 3.247 -0.241) 8.248 5.827 ( -7.029 2.583 -0.816) 7.533 5.889 ( -5.062 -4.612 -0.511) 6.867 6.001 ( -2.893 -0.917 -2.654) 4.032 6.015 ( -8.336 -1.104 2.513) 8.776 6.074 ( -13.555 -4.279 0.041) 14.215 6.231 ( 0.846 -5.239 2.817) 6.008 6.251 ( -7.528 -5.185 -3.870) 9.927 6.385 ( 0.507 -4.042 -3.353) 5.276 6.587 ( 1.460 1.402 1.632) 2.600 6.676 ( 5.661 -3.507 -1.676) 6.866 6.847 ( 10.785 3.034 1.062) 11.254 6.991 ( 3.608 -0.889 -1.015) 3.852 7.226 ( 3.345 1.577 2.570) 4.503 7.310 ( 9.848 -0.909 2.293) 10.152 7.392 ( 3.813 -0.001 0.610) 3.862 7.488 ( -4.652 -1.181 3.798) 6.120 7.528 ( -0.018 0.072 -1.760) 1.761 7.609 ( 1.659 -2.015 0.061) 2.611 7.892 ( 1.030 2.697 0.458) 2.923 7.965 ( -4.584 2.667 -0.884) 5.377 8.056 ( -2.059 4.793 -1.280) 5.371 8.258 ( 0.745 -11.218 -0.914) 11.280 8.389 ( 5.459 -3.354 -5.004) 8.129 8.427 ( 12.107 -2.003 -2.922) 12.615 8.489 ( 0.085 -5.423 3.817) 6.633 8.640 ( 0.327 -5.247 4.777) 7.103 8.904 ( -3.579 0.991 -1.455) 3.989 8.970 ( 0.595 2.186 -0.989) 2.472 9.124 ( 4.299 -3.228 0.864) 5.445 9.288 ( 0.764 -2.218 2.733) 3.602 9.355 ( -4.018 2.550 1.356) 4.948 9.392 ( -7.314 1.657 -3.518) 8.283 9.450 ( -8.383 2.986 1.735) 9.066 9.660 ( -3.650 3.410 2.022) 5.389 9.695 ( 4.075 -7.274 -0.758) 8.372 9.855 ( -4.167 -6.416 1.926) 7.889 9.991 ( -7.213 0.756 -1.839) 7.482 10.087 ( -3.760 -3.947 -0.063) 5.452 10.509 ( 4.136 2.358 -3.805) 6.095 10.578 ( 4.030 1.598 0.814) 4.411 10.668 ( 2.125 -3.010 -3.250) 4.913 10.773 ( 3.675 -4.565 3.485) 6.818 10.930 ( -5.039 4.219 -2.903) 7.185 11.026 ( 2.243 -0.530 0.735) 2.419 11.093 ( 6.404 0.096 -0.185) 6.407 11.154 ( 1.580 -4.741 -2.032) 5.395 11.264 ( -2.241 2.750 6.085) 7.044 11.471 ( 2.592 -5.652 2.832) 6.833 11.708 ( 0.832 4.348 2.431) 5.051 11.815 ( 0.750 -0.446 0.428) 0.972 11.925 ( -1.509 2.498 0.479) 2.958 11.937 ( -1.132 2.609 -1.753) 3.342 12.070 ( 3.137 -0.581 -4.317) 5.368 12.107 ( -4.910 -3.497 -0.804) 6.081 12.269 ( 0.238 -2.133 -0.851) 2.309 12.382 ( 2.892 -5.077 -2.072) 6.200 12.619 ( 1.504 3.600 -1.363) 4.132 12.637 ( 0.806 0.611 4.988) 5.090 12.732 ( -2.773 2.654 -3.191) 4.992 12.853 ( 2.042 -1.487 -5.205) 5.785 13.111 ( -8.073 2.102 -2.995) 8.863 13.158 ( -5.965 -1.680 -3.745) 7.241 13.445 ( -0.321 5.852 2.942) 6.558 13.566 ( -0.658 4.389 4.758) 6.506 13.584 ( 1.211 2.168 -2.197) 3.316 13.698 ( -2.543 0.966 -5.300) 5.957 13.822 ( -2.806 2.937 -1.457) 4.316 13.985 ( -1.482 -2.632 11.817) 12.197 14.285 ( 2.483 9.670 -1.196) 10.055 14.363 ( -6.033 5.066 3.211) 8.507 14.563 ( -1.579 9.087 7.835) 12.102 14.929 ( -1.114 -5.881 -2.955) 6.676 15.029 ( -1.579 -5.399 -1.297) 5.773 15.265 ( 15.958 -13.575 -10.113) 23.263 15.428 ( 5.911 2.439 14.871) 16.188 15.700 ( 12.870 -5.813 -1.199) 14.172 16.526 ( -6.626 -0.845 -2.598) 7.167 16.548 ( -5.058 -0.355 -5.345) 7.367 17.148 ( -0.107 3.639 5.503) 6.599 17.182 ( 0.246 3.089 1.472) 3.430 17.487 ( -6.762 -9.503 2.386) 11.905 17.524 ( -4.977 -8.734 -7.145) 12.333 ======================= Grid point 185 (98/108) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 9.326 1.855 -3.695) 10.202 2.376 ( -3.852 -0.846 5.872) 7.073 2.586 ( 0.268 7.823 1.948) 8.066 2.601 ( -0.878 4.929 3.460) 6.086 2.754 ( 4.720 5.219 -1.221) 7.142 2.877 ( -2.610 -1.338 -2.554) 3.889 2.997 ( 0.081 17.805 2.197) 17.940 3.156 ( -8.811 11.224 -0.475) 14.277 3.896 ( 8.117 10.784 0.948) 13.531 3.915 ( 0.804 7.086 5.830) 9.212 3.969 ( 10.603 3.634 -0.841) 11.240 4.089 ( 16.359 -0.107 2.883) 16.612 4.200 ( 1.993 -0.765 -0.943) 2.334 4.223 ( 11.188 4.384 -2.310) 12.236 4.388 ( -5.877 3.665 1.186) 7.027 4.578 ( -4.201 -5.346 -8.048) 10.536 4.706 ( -1.364 -0.788 5.485) 5.707 4.777 ( -3.210 -1.587 5.443) 6.515 4.850 ( 1.841 0.511 -4.123) 4.544 4.967 ( 1.957 -0.479 -10.577) 10.768 5.170 ( 8.169 1.604 -1.192) 8.410 5.262 ( 9.533 -0.255 -0.541) 9.552 5.306 ( -5.395 0.197 2.307) 5.871 5.474 ( -3.263 -3.883 0.357) 5.084 5.556 ( -10.405 1.051 -2.312) 10.710 5.599 ( -8.363 1.771 -1.867) 8.750 5.679 ( -3.890 3.089 -0.796) 5.031 5.736 ( -6.237 0.495 1.203) 6.371 5.873 ( -6.109 -2.186 3.782) 7.510 5.923 ( -0.639 -3.743 2.766) 4.697 6.042 ( 3.617 -1.991 -1.718) 4.472 6.137 ( -1.591 -3.756 -4.321) 5.942 6.253 ( -0.074 -4.487 2.137) 4.971 6.335 ( -3.547 -6.541 -1.960) 7.694 6.651 ( 4.378 3.846 0.399) 5.841 6.751 ( 1.313 -1.845 -3.235) 3.949 7.039 ( 6.049 3.413 -1.605) 7.128 7.069 ( 4.443 -0.846 3.909) 5.978 7.223 ( -1.213 3.283 0.329) 3.515 7.323 ( -9.552 1.703 2.607) 10.046 7.455 ( 2.638 -2.671 8.748) 9.519 7.554 ( 7.137 -0.949 -1.735) 7.406 7.633 ( 8.267 2.547 -2.867) 9.113 7.690 ( 4.300 -1.382 -1.038) 4.634 7.836 ( -1.936 3.810 -1.387) 4.493 7.881 ( -7.082 2.907 -1.519) 7.805 8.047 ( 4.106 -3.139 0.598) 5.203 8.197 ( -4.466 -9.275 -3.993) 11.041 8.435 ( -0.014 0.663 1.233) 1.400 8.472 ( 0.305 -0.183 -0.416) 0.548 8.643 ( 6.255 -5.335 1.550) 8.366 8.673 ( 0.343 -6.091 2.184) 6.480 8.840 ( -1.249 0.603 3.269) 3.551 8.942 ( -5.399 -1.402 0.502) 5.601 9.179 ( -3.131 4.128 -1.808) 5.488 9.195 ( -5.416 2.037 -3.910) 6.984 9.289 ( 7.783 -0.048 0.194) 7.786 9.406 ( -0.266 2.681 1.661) 3.165 9.469 ( 6.076 -3.869 3.439) 7.982 9.564 ( -5.872 -1.757 2.015) 6.452 9.782 ( 2.885 -2.204 -1.879) 4.088 9.819 ( -3.437 -4.109 -0.039) 5.357 9.863 ( 1.257 -5.500 -1.440) 5.823 9.991 ( -5.486 -6.366 -0.994) 8.463 10.543 ( 0.504 0.105 -1.388) 1.480 10.588 ( -1.670 -0.749 -1.590) 2.424 10.706 ( 1.802 0.980 1.522) 2.554 10.820 ( -1.931 5.744 -2.090) 6.411 10.873 ( 2.121 -5.243 2.241) 6.083 11.002 ( -1.371 -1.871 -3.345) 4.071 11.144 ( -1.457 -0.765 4.576) 4.863 11.214 ( 2.451 -5.973 -0.668) 6.491 11.325 ( 7.473 4.022 0.557) 8.505 11.507 ( -4.289 -4.332 0.265) 6.102 11.700 ( 0.099 2.082 2.883) 3.558 11.800 ( -1.166 -0.743 -1.005) 1.709 11.909 ( -0.385 2.020 0.761) 2.193 11.950 ( 1.019 -0.384 -2.202) 2.456 12.065 ( 1.446 -0.292 3.571) 3.864 12.124 ( 3.975 -1.831 -2.928) 5.266 12.248 ( -1.271 1.762 -0.686) 2.278 12.366 ( -3.336 -1.626 -4.082) 5.517 12.620 ( 0.740 2.133 0.097) 2.260 12.651 ( -2.176 0.541 3.242) 3.942 12.749 ( 5.648 3.936 -3.087) 7.545 12.868 ( -0.152 1.854 -4.302) 4.687 12.959 ( -4.934 -1.215 1.064) 5.192 13.054 ( -1.316 -4.180 -5.820) 7.285 13.457 ( -0.857 4.324 4.151) 6.055 13.549 ( -3.629 3.856 5.319) 7.506 13.580 ( 0.010 2.458 -4.819) 5.409 13.647 ( 1.444 2.115 -5.824) 6.362 13.828 ( 2.399 1.665 4.511) 5.374 14.046 ( 0.266 -3.629 13.334) 13.822 14.123 ( -8.571 6.352 -7.792) 13.210 14.394 ( 1.776 6.834 -3.861) 8.048 14.574 ( -4.177 7.898 10.788) 14.008 14.812 ( 1.163 3.481 -13.114) 13.618 15.095 ( -4.379 -6.858 21.849) 23.315 15.456 ( 12.377 -4.971 -17.057) 21.652 15.723 ( 14.663 -6.175 12.865) 20.461 15.949 ( 11.604 -5.702 1.259) 12.990 16.305 ( -11.866 -2.164 -6.756) 13.825 16.339 ( -12.259 -1.513 -5.516) 13.527 17.204 ( 0.694 -0.785 7.572) 7.644 17.215 ( 0.673 -0.448 5.583) 5.641 17.382 ( -2.434 -4.184 -4.229) 6.428 17.411 ( -2.232 -4.541 -6.768) 8.450 ======================= Grid point 186 (99/108) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -11.932 6.535 6.189) 14.946 2.446 ( 1.131 -4.249 -0.364) 4.412 2.575 ( -0.020 8.838 1.883) 9.037 2.687 ( -0.279 6.092 -4.759) 7.736 2.748 ( 1.614 0.525 1.046) 1.994 2.819 ( -2.125 1.591 2.008) 3.328 3.038 ( 1.971 17.017 -1.656) 17.211 3.151 ( 9.284 11.559 0.002) 14.826 3.851 ( -5.626 12.539 4.033) 14.322 3.986 ( -4.585 5.040 -2.156) 7.146 4.014 ( -14.472 4.948 -2.334) 15.471 4.075 ( -7.279 -1.710 3.393) 8.211 4.183 ( -12.599 4.590 1.658) 13.511 4.287 ( 3.226 2.934 -8.875) 9.889 4.385 ( 0.226 -2.009 3.862) 4.359 4.460 ( 2.736 -2.951 0.926) 4.130 4.732 ( -2.537 -1.572 4.088) 5.061 4.751 ( -4.105 -2.156 6.621) 8.083 4.852 ( 3.570 2.352 -5.573) 7.024 4.962 ( 4.272 -0.116 -8.586) 9.591 5.118 ( -10.157 0.556 3.724) 10.833 5.247 ( -11.809 -3.138 0.067) 12.219 5.362 ( 8.224 0.136 -1.846) 8.430 5.482 ( 7.760 -4.136 -1.133) 8.866 5.531 ( 5.923 3.947 0.526) 7.137 5.578 ( 6.450 1.606 -1.377) 6.788 5.676 ( 3.216 1.879 0.162) 3.728 5.740 ( 7.309 -0.356 0.453) 7.332 5.875 ( 2.219 -0.311 4.924) 5.409 5.976 ( 5.552 -1.976 -2.158) 6.276 6.062 ( -1.808 -2.519 -3.197) 4.453 6.124 ( 3.454 -4.831 -5.319) 7.973 6.273 ( 0.492 -4.728 1.694) 5.046 6.299 ( 2.422 -5.618 1.152) 6.225 6.685 ( -4.385 2.174 -2.845) 5.661 6.703 ( -0.773 0.253 1.297) 1.531 6.993 ( -9.203 3.950 3.168) 10.504 7.113 ( -4.653 -3.066 -0.225) 5.577 7.199 ( 2.799 5.191 2.124) 6.268 7.367 ( 9.335 0.817 -1.042) 9.428 7.463 ( -7.936 -0.945 7.926) 11.256 7.553 ( -5.291 -2.127 -0.122) 5.704 7.608 ( -8.266 -1.532 -2.070) 8.658 7.694 ( -1.196 0.360 -2.711) 2.985 7.842 ( 6.669 3.911 -0.978) 7.793 7.934 ( 8.022 2.822 -6.280) 10.572 8.087 ( -3.356 -4.196 -3.233) 6.271 8.159 ( 5.818 -6.716 -0.751) 8.917 8.355 ( -6.487 1.059 5.353) 8.477 8.547 ( -1.783 2.537 -0.878) 3.223 8.565 ( -4.619 -9.486 3.215) 11.030 8.762 ( 3.931 -6.036 -1.900) 7.450 8.812 ( -5.902 2.692 3.362) 7.306 8.883 ( 0.620 -2.573 6.524) 7.041 9.120 ( 0.853 3.075 0.650) 3.257 9.219 ( 6.962 4.342 -2.305) 8.523 9.303 ( -8.199 -0.534 -0.709) 8.247 9.441 ( 3.356 2.220 -1.754) 4.390 9.513 ( -1.195 -3.514 -0.911) 3.822 9.574 ( 4.334 -3.465 1.205) 5.678 9.742 ( 0.370 -2.647 1.647) 3.139 9.827 ( -6.307 -7.112 0.309) 9.511 9.856 ( 5.030 -0.334 -2.106) 5.464 10.021 ( 8.642 -6.386 -3.624) 11.340 10.499 ( -4.597 0.085 3.485) 5.769 10.559 ( -0.838 -2.340 0.051) 2.487 10.718 ( -1.543 4.004 1.003) 4.407 10.808 ( 1.452 4.189 -1.178) 4.588 10.894 ( -1.273 -3.915 0.768) 4.188 10.988 ( 1.164 -2.004 -1.929) 3.015 11.122 ( -3.452 -2.188 3.267) 5.232 11.260 ( 3.179 -5.581 -2.628) 6.940 11.351 ( -7.087 2.595 -0.904) 7.601 11.472 ( 4.116 -2.201 2.795) 5.440 11.715 ( -0.564 1.703 2.109) 2.769 11.806 ( 2.437 -2.479 -2.984) 4.581 11.917 ( 0.013 0.470 1.037) 1.139 11.951 ( 1.687 0.718 -3.191) 3.680 12.084 ( -3.274 -1.405 1.227) 3.768 12.152 ( 0.570 -2.069 -2.775) 3.508 12.264 ( 0.168 1.410 0.432) 1.484 12.287 ( 1.684 2.018 -0.707) 2.722 12.632 ( -0.496 2.644 -1.443) 3.053 12.667 ( 2.156 -0.085 0.879) 2.330 12.714 ( -5.710 3.170 1.361) 6.671 12.870 ( 1.553 0.885 -4.514) 4.855 12.947 ( 2.979 -1.374 2.459) 4.100 13.061 ( 4.944 -3.286 -6.538) 8.831 13.448 ( -2.956 3.717 5.531) 7.290 13.502 ( -4.595 4.203 7.102) 9.446 13.569 ( 2.474 2.774 -4.441) 5.791 13.663 ( 2.648 2.008 -4.283) 5.421 13.892 ( -3.610 4.557 1.016) 5.902 14.006 ( 5.705 3.110 -0.414) 6.511 14.165 ( 2.178 -3.166 13.955) 14.474 14.332 ( -0.367 -2.386 -12.495) 12.726 14.557 ( -4.427 6.793 12.653) 15.028 14.824 ( 4.591 13.588 -9.765) 17.351 15.082 ( -8.862 -4.260 18.375) 20.840 15.514 ( 2.770 -6.499 -18.480) 19.785 15.941 ( -11.087 -3.709 -6.821) 13.535 15.990 ( -5.918 -8.351 -3.052) 10.680 16.144 ( 8.803 -2.383 7.874) 12.049 16.257 ( 8.985 -2.160 1.616) 9.381 17.189 ( -6.536 -1.239 6.201) 9.094 17.238 ( -2.082 -2.849 7.607) 8.386 17.365 ( 1.665 -1.193 -6.500) 6.815 17.428 ( 9.729 -4.222 -5.902) 12.137 ======================= Grid point 187 (100/108) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -10.082 8.080 6.489) 14.458 2.306 ( -17.970 -2.338 -3.994) 18.557 2.381 ( -13.417 9.947 4.431) 17.280 2.593 ( -9.698 0.940 -2.961) 10.183 2.824 ( 11.433 4.307 0.417) 12.225 2.973 ( 9.752 -1.037 2.031) 10.015 3.167 ( 10.207 14.583 -2.551) 17.982 3.326 ( 6.887 8.735 -0.116) 11.124 3.530 ( -18.997 4.514 -1.163) 19.561 3.660 ( -19.747 1.093 -0.020) 19.777 3.792 ( -4.943 14.465 0.662) 15.301 3.990 ( -8.817 3.719 1.741) 9.726 4.032 ( -3.609 7.855 -0.344) 8.651 4.296 ( 3.028 -0.499 -8.889) 9.404 4.455 ( -1.014 -1.849 0.045) 2.110 4.504 ( 4.137 -0.814 6.360) 7.630 4.646 ( -7.734 -2.167 2.707) 8.476 4.701 ( -7.098 -3.824 7.278) 10.861 4.847 ( 1.042 2.296 -4.651) 5.290 4.958 ( 1.341 2.557 -4.857) 5.650 5.037 ( -1.640 2.034 1.845) 3.198 5.078 ( -4.859 0.464 2.690) 5.573 5.397 ( 0.415 0.641 -1.561) 1.738 5.545 ( 0.502 -3.076 -3.697) 4.835 5.657 ( -0.104 3.798 0.893) 3.903 5.781 ( 6.758 0.735 0.744) 6.838 5.798 ( 10.157 2.444 1.320) 10.530 5.880 ( 4.194 -2.557 1.536) 5.147 5.959 ( 0.124 -0.110 0.911) 0.926 6.054 ( 8.417 -2.264 -1.048) 8.779 6.110 ( 10.815 -3.145 -3.884) 11.914 6.204 ( 6.181 -1.769 -0.934) 6.496 6.300 ( 1.660 -7.716 -3.052) 8.462 6.342 ( -0.601 -2.904 1.634) 3.386 6.632 ( 1.589 -0.619 -2.699) 3.192 6.637 ( -6.049 -1.963 1.665) 6.574 6.853 ( -5.491 4.217 0.846) 6.975 6.973 ( -8.275 -3.277 0.368) 8.908 7.224 ( -5.503 2.009 3.107) 6.631 7.278 ( -11.033 -0.949 2.963) 11.463 7.421 ( -3.128 0.730 -0.778) 3.305 7.493 ( 1.579 -0.465 1.212) 2.045 7.587 ( 5.106 -4.443 -1.458) 6.924 7.633 ( 0.001 -0.927 -5.058) 5.142 7.915 ( -3.756 1.903 -2.691) 4.997 7.976 ( 5.042 2.904 -0.918) 5.890 8.044 ( -2.648 5.492 -0.036) 6.097 8.231 ( -1.010 -12.687 1.070) 12.772 8.286 ( -5.629 -2.087 4.926) 7.766 8.339 ( -8.186 -1.438 5.098) 9.750 8.578 ( 0.266 -3.164 -5.335) 6.208 8.758 ( -1.661 -5.903 -6.719) 9.097 8.836 ( 1.619 2.151 5.422) 6.054 8.907 ( 0.433 0.289 5.352) 5.377 9.141 ( -4.549 -1.683 -0.330) 4.861 9.238 ( 6.580 0.586 4.182) 7.818 9.367 ( 5.852 -0.204 -0.243) 5.861 9.431 ( 0.259 -2.739 -2.836) 3.951 9.511 ( 6.501 4.101 -5.014) 9.177 9.666 ( -1.454 1.045 0.685) 1.917 9.699 ( 0.008 -2.936 -0.147) 2.939 9.853 ( 6.866 -4.361 2.730) 8.580 9.972 ( 6.397 1.552 -0.425) 6.596 10.134 ( 4.811 -5.467 -4.765) 8.703 10.438 ( -3.719 1.490 4.017) 5.673 10.537 ( -3.221 -2.527 2.703) 4.906 10.664 ( -3.359 2.794 -1.443) 4.601 10.799 ( -4.286 -1.975 1.097) 4.845 10.876 ( -0.084 0.923 2.352) 2.528 10.989 ( -1.494 -0.403 1.364) 2.063 11.061 ( -3.815 -1.551 2.636) 4.889 11.172 ( -4.839 -0.648 -1.517) 5.112 11.399 ( 7.260 -0.690 -4.983) 8.833 11.477 ( -3.282 -2.453 0.677) 4.153 11.728 ( -0.761 2.096 0.475) 2.280 11.799 ( -2.843 -1.409 1.588) 3.548 11.928 ( 2.285 0.419 -0.322) 2.346 11.978 ( 2.542 1.230 -3.786) 4.723 12.039 ( -0.142 -1.413 -1.216) 1.869 12.130 ( 0.334 -2.478 -4.453) 5.107 12.265 ( 0.209 -2.698 -0.099) 2.708 12.332 ( -0.401 -3.385 3.232) 4.698 12.533 ( -6.016 7.250 1.959) 9.622 12.700 ( 3.583 2.616 -0.421) 4.456 12.754 ( 3.369 -0.403 -1.094) 3.565 12.839 ( -0.121 -4.623 -3.519) 5.811 13.060 ( 5.490 2.553 2.118) 6.415 13.135 ( 5.688 -1.476 -2.646) 6.444 13.428 ( -2.077 5.728 5.114) 7.955 13.487 ( -1.099 4.224 8.132) 9.229 13.605 ( 2.766 0.824 -2.672) 3.933 13.690 ( 2.345 1.127 -1.677) 3.096 13.816 ( -2.074 8.456 -2.338) 9.015 14.157 ( 3.359 0.205 3.036) 4.532 14.248 ( 4.480 -3.804 -5.607) 8.123 14.324 ( 2.683 5.258 4.703) 7.547 14.579 ( -1.324 -3.005 15.595) 15.937 14.820 ( 0.898 10.853 -9.400) 14.386 14.992 ( -8.436 0.741 9.955) 13.070 15.315 ( -11.737 -9.343 -11.671) 19.007 15.673 ( -12.704 -2.600 -2.696) 13.244 15.832 ( 0.922 -5.715 -20.799) 21.590 16.423 ( 8.013 -2.569 7.574) 11.321 16.433 ( 6.725 -1.535 6.325) 9.359 17.097 ( -5.434 2.348 4.947) 7.715 17.245 ( -0.422 -2.088 4.931) 5.371 17.390 ( 3.122 -1.575 -1.558) 3.828 17.609 ( 11.610 -9.469 -6.205) 16.216 ======================= Grid point 188 (101/108) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -20.829 3.641 1.385) 21.191 1.826 ( -23.922 1.725 -2.111) 24.077 2.212 ( -5.379 9.765 10.452) 15.281 2.491 ( -0.404 -2.077 -5.516) 5.908 3.026 ( 6.808 6.102 3.582) 9.819 3.069 ( -0.392 5.956 -2.048) 6.310 3.274 ( -0.728 4.777 -0.853) 4.907 3.304 ( -2.896 3.794 3.706) 6.042 3.430 ( 9.178 8.483 -5.568) 13.682 3.566 ( 4.137 3.651 2.345) 5.995 3.704 ( -3.454 15.881 -1.423) 16.314 3.838 ( -7.454 5.012 0.734) 9.012 3.929 ( -3.283 0.822 0.671) 3.451 4.263 ( -7.352 -6.645 -5.952) 11.560 4.389 ( -2.997 2.383 3.692) 5.319 4.440 ( -7.138 -0.582 2.000) 7.435 4.681 ( 8.136 4.124 -0.439) 9.133 4.686 ( 2.694 0.135 2.302) 3.546 4.873 ( 2.159 5.155 -3.642) 6.671 4.958 ( -0.896 4.861 -3.980) 6.346 4.996 ( -1.753 4.780 2.622) 5.727 5.050 ( -2.486 1.953 3.917) 5.034 5.403 ( -1.697 0.379 2.259) 2.851 5.515 ( 1.327 -3.583 -5.412) 6.625 5.584 ( -3.885 4.902 0.893) 6.318 5.823 ( -2.184 -1.950 0.818) 3.040 5.880 ( -0.221 -0.488 -1.485) 1.579 5.952 ( 2.315 -2.132 1.180) 3.361 6.025 ( 4.420 1.209 0.006) 4.583 6.198 ( 0.766 -5.842 0.465) 5.911 6.201 ( 5.450 -6.213 -1.599) 8.418 6.284 ( -2.129 1.205 1.377) 2.807 6.344 ( 5.345 -6.130 -3.286) 8.772 6.358 ( -0.223 -2.278 -2.038) 3.064 6.537 ( 0.014 -1.876 2.988) 3.528 6.658 ( 0.056 -8.388 -0.997) 8.447 6.803 ( 3.056 4.098 -3.105) 5.981 6.884 ( -3.640 0.906 3.672) 5.249 7.076 ( -7.727 -1.601 1.314) 8.000 7.121 ( -6.667 -3.275 0.230) 7.431 7.380 ( 1.106 0.393 -0.737) 1.386 7.557 ( 0.910 -1.806 -0.010) 2.022 7.655 ( 4.327 0.016 -4.388) 6.163 7.659 ( 1.162 -0.171 -2.532) 2.791 7.840 ( -0.199 -0.642 2.110) 2.214 7.933 ( -7.683 2.342 5.008) 9.466 8.022 ( -1.944 -1.639 3.427) 4.267 8.100 ( -6.130 -1.579 4.888) 7.998 8.278 ( 0.489 -6.237 -3.045) 6.958 8.317 ( -0.596 0.426 -0.448) 0.858 8.533 ( -1.500 -7.302 -3.749) 8.344 8.628 ( -5.071 -5.226 -4.172) 8.392 8.872 ( 0.431 0.144 4.996) 5.017 8.974 ( 0.079 -3.566 3.204) 4.795 9.149 ( 5.578 4.867 -2.416) 7.787 9.302 ( -0.273 1.387 -1.868) 2.343 9.447 ( 4.761 -1.330 -1.378) 5.132 9.516 ( 7.012 3.794 1.259) 8.071 9.573 ( -4.194 -4.701 2.774) 6.883 9.706 ( 9.669 -2.549 0.327) 10.004 9.734 ( 2.286 8.466 -4.333) 9.781 10.006 ( 6.608 -1.724 0.517) 6.849 10.098 ( 5.523 0.089 2.120) 5.917 10.133 ( -1.189 -2.349 -2.265) 3.473 10.402 ( -2.594 0.174 1.181) 2.855 10.421 ( -9.385 0.988 0.878) 9.477 10.617 ( -0.637 0.202 1.163) 1.342 10.737 ( -0.307 -3.584 1.055) 3.749 10.855 ( -5.411 -0.995 4.183) 6.912 10.893 ( -7.386 -2.045 1.823) 7.878 11.091 ( 4.369 3.817 -0.163) 5.804 11.144 ( 3.610 1.012 -0.738) 3.822 11.387 ( -4.408 0.060 -4.243) 6.119 11.433 ( -3.648 -1.219 -1.649) 4.185 11.725 ( 2.458 0.530 -0.108) 2.517 11.756 ( -3.267 -1.646 5.779) 6.840 11.956 ( -1.178 -0.894 0.363) 1.523 11.973 ( -1.022 -0.462 -3.043) 3.243 12.054 ( 4.723 0.048 -6.561) 8.084 12.158 ( 2.056 -6.234 3.831) 7.600 12.234 ( -1.575 -1.895 -2.889) 3.797 12.329 ( -0.449 -1.900 -0.008) 1.953 12.491 ( -1.404 5.381 5.773) 8.016 12.733 ( -1.975 -3.785 -6.384) 7.679 12.781 ( 4.363 1.938 -0.080) 4.774 12.865 ( 3.449 -0.828 -3.171) 4.758 13.174 ( 4.155 3.315 5.337) 7.532 13.256 ( 6.942 -0.796 1.956) 7.256 13.431 ( -0.940 6.196 4.427) 7.673 13.547 ( 1.887 6.139 6.611) 9.217 13.611 ( -0.385 2.569 -5.115) 5.736 13.723 ( 0.458 7.758 -1.676) 7.950 13.798 ( 0.584 3.395 4.373) 5.567 14.163 ( 0.539 -5.065 -7.326) 8.923 14.234 ( -1.717 4.984 -2.015) 5.643 14.484 ( 6.748 -2.604 4.855) 8.711 14.600 ( -5.849 -0.608 4.833) 7.612 14.808 ( 0.533 -3.229 6.913) 7.648 14.926 ( -1.848 -0.605 2.560) 3.215 15.039 ( -8.262 -3.027 -4.799) 10.023 15.445 ( -9.058 1.015 -2.729) 9.515 15.721 ( 0.934 -6.115 -24.850) 25.608 16.520 ( 0.912 0.697 5.804) 5.916 16.571 ( 2.623 -3.039 2.627) 4.798 17.059 ( -2.337 5.897 7.801) 10.055 17.277 ( 1.864 4.163 -1.831) 4.915 17.465 ( 2.853 -8.442 7.162) 11.433 17.763 ( 8.015 -13.422 -8.745) 17.912 ======================= Grid point 189 (102/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.026 -1.102 -1.136) 1.583 1.547 ( 0.026 1.102 -1.136) 1.583 2.389 ( 0.048 -5.078 2.600) 5.705 2.389 ( 0.048 5.078 2.600) 5.705 3.125 ( -0.273 -1.270 -0.659) 1.456 3.125 ( -0.273 1.270 -0.659) 1.456 3.368 ( 0.543 -0.906 3.409) 3.569 3.368 ( 0.543 0.907 3.409) 3.569 3.618 ( -1.463 -1.396 -2.584) 3.281 3.618 ( -1.463 1.396 -2.584) 3.281 3.837 ( -3.256 -7.324 3.346) 8.685 3.837 ( -3.256 7.324 3.346) 8.685 3.934 ( 3.269 -6.009 -3.166) 7.538 3.934 ( 3.269 6.009 -3.166) 7.538 4.422 ( 0.304 -1.897 1.330) 2.337 4.422 ( 0.304 1.897 1.330) 2.337 4.816 ( 2.236 -1.049 -2.205) 3.311 4.816 ( 2.236 1.049 -2.205) 3.311 4.945 ( -2.945 -0.619 -0.928) 3.150 4.945 ( -2.945 0.619 -0.928) 3.150 5.065 ( 2.702 -1.763 0.038) 3.226 5.065 ( 2.702 1.763 0.038) 3.226 5.394 ( -3.011 -2.003 2.185) 4.225 5.394 ( -3.011 2.003 2.185) 4.225 5.750 ( 3.104 -2.919 0.955) 4.367 5.750 ( 3.104 2.919 0.955) 4.367 5.879 ( -0.403 -0.595 -2.509) 2.610 5.879 ( -0.403 0.595 -2.509) 2.610 6.071 ( -1.202 -2.471 -2.478) 3.700 6.071 ( -1.202 2.471 -2.478) 3.700 6.242 ( -3.068 -0.328 1.913) 3.630 6.242 ( -3.068 0.328 1.913) 3.630 6.280 ( 4.749 -1.585 -2.752) 5.713 6.280 ( 4.749 1.585 -2.752) 5.713 6.588 ( 0.230 -1.563 1.843) 2.427 6.588 ( 0.230 1.563 1.843) 2.427 6.898 ( -1.114 -2.117 1.823) 3.008 6.898 ( -1.114 2.117 1.823) 3.008 6.972 ( -0.509 -0.724 -0.783) 1.181 6.972 ( -0.509 0.724 -0.783) 1.181 7.437 ( -1.701 -0.470 1.405) 2.256 7.437 ( -1.701 0.470 1.405) 2.256 7.646 ( 0.494 -1.066 -1.909) 2.241 7.646 ( 0.494 1.066 -1.909) 2.241 7.941 ( 0.576 -1.362 2.823) 3.187 7.941 ( 0.576 1.362 2.823) 3.187 8.010 ( 2.303 -1.609 1.390) 3.135 8.010 ( 2.303 1.609 1.390) 3.135 8.307 ( -1.187 -3.387 -1.577) 3.920 8.307 ( -1.187 3.387 -1.577) 3.920 8.387 ( -0.327 -4.088 -3.165) 5.181 8.387 ( -0.327 4.088 -3.165) 5.181 8.929 ( 0.010 -1.145 3.037) 3.246 8.929 ( 0.010 1.145 3.037) 3.246 9.297 ( -1.059 -1.615 -0.919) 2.138 9.297 ( -1.059 1.615 -0.919) 2.138 9.479 ( 1.661 -1.898 -1.315) 2.844 9.479 ( 1.661 1.898 -1.315) 2.844 9.763 ( 2.930 -4.789 2.727) 6.242 9.763 ( 2.930 4.789 2.727) 6.242 9.852 ( -6.170 -4.908 -2.564) 8.290 9.852 ( -6.170 4.908 -2.564) 8.290 10.224 ( 2.347 -1.198 3.478) 4.364 10.224 ( 2.347 1.198 3.478) 4.364 10.307 ( 0.078 -1.491 -3.059) 3.404 10.307 ( 0.078 1.491 -3.059) 3.404 10.697 ( -0.428 -1.935 2.491) 3.183 10.697 ( -0.428 1.935 2.491) 3.183 10.773 ( 1.202 -0.191 -0.464) 1.302 10.773 ( 1.202 0.191 -0.464) 1.302 11.242 ( 0.131 -3.076 1.549) 3.446 11.242 ( 0.131 3.076 1.549) 3.446 11.288 ( -1.572 -2.481 -3.382) 4.479 11.288 ( -1.572 2.482 -3.382) 4.479 11.730 ( -2.953 -2.539 7.211) 8.196 11.730 ( -2.953 2.539 7.211) 8.196 11.933 ( 2.933 -0.641 -4.268) 5.218 11.933 ( 2.933 0.641 -4.268) 5.218 12.141 ( 2.364 -1.533 0.350) 2.839 12.141 ( 2.364 1.533 0.350) 2.839 12.235 ( -1.105 -3.890 -3.635) 5.438 12.235 ( -1.105 3.890 -3.635) 5.438 12.580 ( -0.796 -3.259 1.561) 3.700 12.580 ( -0.796 3.259 1.561) 3.700 12.884 ( 1.674 -1.328 -3.459) 4.066 12.884 ( 1.674 1.328 -3.459) 4.066 13.355 ( 3.891 -2.462 4.797) 6.650 13.355 ( 3.891 2.462 4.797) 6.650 13.522 ( -3.546 -2.776 0.127) 4.505 13.522 ( -3.546 2.776 0.127) 4.505 13.789 ( -0.466 -4.119 4.066) 5.807 13.789 ( -0.466 4.119 4.066) 5.807 13.923 ( 0.906 -9.730 -6.048) 11.492 13.923 ( 0.906 9.730 -6.048) 11.492 14.296 ( -4.615 -5.468 1.220) 7.259 14.296 ( -4.615 5.468 1.220) 7.259 14.672 ( 0.001 -6.080 12.624) 14.012 14.672 ( 0.001 6.080 12.624) 14.012 15.010 ( 3.532 -4.540 -5.646) 8.060 15.010 ( 3.532 4.540 -5.646) 8.060 15.417 ( -1.781 -7.568 -11.949) 14.256 15.417 ( -1.781 7.568 -11.949) 14.256 16.570 ( 0.903 -0.966 1.520) 2.015 16.570 ( 0.903 0.966 1.520) 2.015 17.272 ( -1.481 -10.140 12.831) 16.421 17.272 ( -1.481 10.140 12.831) 16.421 17.521 ( 1.196 -11.556 -10.472) 15.641 17.521 ( 1.196 11.556 -10.472) 15.641 ======================= Grid point 191 (103/108) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 22.685 -0.850 -0.417) 22.705 1.808 ( 22.685 0.850 -0.417) 22.705 2.418 ( 2.820 -1.109 0.966) 3.180 2.418 ( 2.820 1.109 0.966) 3.180 3.114 ( -5.784 -1.222 1.152) 6.023 3.114 ( -5.784 1.222 1.152) 6.023 3.327 ( 1.886 -2.371 0.533) 3.076 3.327 ( 1.886 2.371 0.533) 3.076 3.527 ( -6.566 -7.003 0.408) 9.608 3.527 ( -6.566 7.003 0.408) 9.608 3.899 ( 5.774 -4.922 2.937) 8.136 3.899 ( 5.774 4.922 2.937) 8.136 4.025 ( 5.730 -5.065 -2.036) 7.914 4.025 ( 5.730 5.065 -2.036) 7.914 4.467 ( 4.598 -1.207 -0.343) 4.766 4.467 ( 4.598 1.207 -0.343) 4.766 4.750 ( -3.133 -1.119 -4.258) 5.404 4.750 ( -3.133 1.119 -4.258) 5.404 4.899 ( -4.390 -4.048 2.503) 6.475 4.899 ( -4.390 4.048 2.503) 6.475 5.129 ( 3.364 -2.472 -2.515) 4.873 5.129 ( 3.364 2.472 -2.515) 4.873 5.395 ( 0.681 -2.099 3.365) 4.024 5.395 ( 0.681 2.099 3.365) 4.024 5.723 ( -0.221 -7.312 -1.676) 7.504 5.723 ( -0.221 7.312 -1.676) 7.504 5.947 ( 2.336 -4.027 -1.782) 4.985 5.947 ( 2.336 4.027 -1.782) 4.985 6.044 ( -3.048 -5.013 1.997) 6.198 6.044 ( -3.048 5.013 1.997) 6.198 6.175 ( -2.024 -1.567 -1.159) 2.810 6.175 ( -2.024 1.567 -1.159) 2.810 6.356 ( 1.572 -1.126 -3.494) 3.994 6.356 ( 1.572 1.126 -3.494) 3.994 6.557 ( -1.552 -2.546 0.592) 3.040 6.557 ( -1.552 2.546 0.592) 3.040 6.855 ( -1.112 -6.079 3.078) 6.904 6.855 ( -1.112 6.079 3.078) 6.904 7.077 ( 9.108 -0.527 -0.092) 9.124 7.077 ( 9.108 0.527 -0.092) 9.124 7.417 ( -0.804 -4.510 2.870) 5.406 7.417 ( -0.804 4.510 2.870) 5.406 7.635 ( -3.520 -0.450 -0.672) 3.612 7.635 ( -3.520 0.450 -0.672) 3.612 7.950 ( 4.221 -6.458 0.026) 7.715 7.950 ( 4.221 6.458 0.026) 7.715 8.140 ( 5.660 -3.451 -2.798) 7.195 8.140 ( 5.660 3.451 -2.798) 7.195 8.229 ( -2.258 -8.521 -0.315) 8.821 8.229 ( -2.258 8.521 -0.315) 8.821 8.436 ( 3.858 -5.741 0.899) 6.975 8.436 ( 3.858 5.741 0.899) 6.975 8.944 ( 0.604 -1.378 0.736) 1.675 8.944 ( 0.604 1.378 0.736) 1.675 9.242 ( -4.057 -3.398 0.960) 5.378 9.242 ( -4.057 3.398 0.960) 5.378 9.485 ( -0.511 -6.123 -2.015) 6.466 9.485 ( -0.511 6.123 -2.015) 6.466 9.649 ( -9.590 -3.869 -1.134) 10.403 9.649 ( -9.590 3.869 -1.134) 10.403 9.807 ( -2.962 -6.691 5.307) 9.039 9.807 ( -2.962 6.691 5.307) 9.039 10.144 ( -5.447 -0.205 -1.633) 5.690 10.144 ( -5.447 0.205 -1.633) 5.690 10.452 ( 9.238 -1.003 -1.605) 9.430 10.452 ( 9.238 1.003 -1.605) 9.430 10.649 ( -1.697 -2.389 0.518) 2.976 10.649 ( -1.697 2.389 0.518) 2.976 10.909 ( 8.950 -1.947 -0.374) 9.167 10.909 ( 8.950 1.947 -0.374) 9.167 11.134 ( -5.193 -1.304 -1.094) 5.465 11.134 ( -5.193 1.304 -1.094) 5.465 11.337 ( 0.277 -5.177 3.491) 6.250 11.337 ( 0.277 5.177 3.491) 6.250 11.732 ( 0.745 -3.303 3.739) 5.045 11.732 ( 0.745 3.303 3.739) 5.045 11.982 ( 3.200 -1.919 -3.583) 5.173 11.982 ( 3.200 1.919 -3.583) 5.173 12.115 ( -3.252 -5.626 -3.428) 7.347 12.115 ( -3.252 5.626 -3.428) 7.347 12.237 ( 2.284 -3.869 -0.356) 4.507 12.237 ( 2.284 3.869 -0.356) 4.507 12.599 ( 1.089 -0.777 3.200) 3.468 12.599 ( 1.089 0.777 3.200) 3.468 12.857 ( -1.166 -1.443 -5.859) 6.146 12.857 ( -1.166 1.443 -5.859) 6.146 13.311 ( -7.100 -0.817 -4.453) 8.421 13.311 ( -7.100 0.817 -4.453) 8.421 13.525 ( 0.882 -3.429 6.102) 7.055 13.525 ( 0.882 3.429 6.102) 7.055 13.744 ( -4.442 -6.877 1.320) 8.293 13.744 ( -4.442 6.877 1.320) 8.293 13.902 ( -0.851 -2.565 -2.396) 3.611 13.902 ( -0.851 2.565 -2.396) 3.611 14.335 ( 4.704 -4.632 8.115) 10.461 14.335 ( 4.704 4.632 8.115) 10.461 14.757 ( 0.810 -9.163 11.487) 14.716 14.757 ( 0.810 9.163 11.487) 14.716 14.988 ( 0.575 -7.325 -16.262) 17.845 14.988 ( 0.575 7.325 -16.262) 17.845 15.400 ( 4.651 -5.637 0.125) 7.309 15.400 ( 4.651 5.637 0.125) 7.309 16.592 ( 0.573 -0.608 -1.217) 1.476 16.592 ( 0.573 0.608 -1.217) 1.476 17.277 ( -5.230 -7.360 10.212) 13.631 17.277 ( -5.230 7.360 10.212) 13.631 17.456 ( -1.225 -8.064 -8.764) 11.972 17.456 ( -1.225 8.064 -8.764) 11.972 ======================= Grid point 193 (104/108) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 12.368 -1.894 0.740) 12.534 2.184 ( 12.368 1.894 0.740) 12.534 2.573 ( 13.081 -2.729 0.059) 13.363 2.573 ( 13.081 2.729 0.059) 13.363 2.902 ( -13.179 -4.957 1.437) 14.154 2.902 ( -13.179 4.957 1.437) 14.154 3.372 ( -7.473 -7.100 1.459) 10.411 3.372 ( -7.473 7.100 1.459) 10.411 3.584 ( 19.469 -4.898 0.365) 20.079 3.584 ( 19.469 4.898 0.365) 20.079 3.991 ( 2.477 -5.398 1.231) 6.065 3.991 ( 2.477 5.398 1.231) 6.065 4.139 ( 5.993 -4.692 2.030) 7.877 4.139 ( 5.993 4.692 2.030) 7.877 4.537 ( 0.539 -5.508 -4.597) 7.194 4.537 ( 0.539 5.508 -4.597) 7.194 4.740 ( 4.956 -1.656 -2.175) 5.660 4.740 ( 4.956 1.656 -2.175) 5.660 4.814 ( -3.186 -3.448 1.200) 4.845 4.814 ( -3.186 3.448 1.200) 4.845 5.175 ( 3.739 -0.924 -3.628) 5.290 5.175 ( 3.739 0.924 -3.628) 5.290 5.404 ( -1.367 -5.035 1.917) 5.559 5.404 ( -1.367 5.035 1.917) 5.559 5.749 ( -0.004 -5.007 1.286) 5.170 5.749 ( -0.004 5.007 1.286) 5.170 5.862 ( -9.563 -1.487 -2.047) 9.892 5.862 ( -9.563 1.487 -2.047) 9.892 5.987 ( -3.808 -1.246 0.407) 4.027 5.987 ( -3.808 1.246 0.407) 4.027 6.075 ( -7.517 -6.080 1.130) 9.734 6.075 ( -7.517 6.080 1.130) 9.734 6.287 ( -2.882 -4.525 -2.805) 6.054 6.287 ( -2.882 4.525 -2.805) 6.054 6.621 ( 5.548 -1.949 -0.492) 5.901 6.621 ( 5.548 1.949 -0.492) 5.901 6.932 ( 7.084 -4.289 0.878) 8.327 6.932 ( 7.084 4.289 0.878) 8.327 7.277 ( 8.790 -2.199 3.065) 9.565 7.277 ( 8.790 2.199 3.065) 9.565 7.427 ( -0.613 -3.415 1.412) 3.746 7.427 ( -0.613 3.415 1.412) 3.746 7.559 ( -0.055 -2.426 -1.311) 2.758 7.559 ( -0.055 2.426 -1.311) 2.758 8.013 ( -0.717 -6.840 0.993) 6.948 8.013 ( -0.717 6.840 0.993) 6.948 8.097 ( -4.052 -3.510 -1.634) 5.604 8.097 ( -4.052 3.510 -1.634) 5.604 8.341 ( 10.318 -1.236 -3.899) 11.099 8.341 ( 10.318 1.236 -3.899) 11.099 8.511 ( 2.187 -5.798 3.927) 7.337 8.511 ( 2.187 5.798 3.927) 7.337 8.954 ( -0.916 -3.021 -1.121) 3.350 8.954 ( -0.916 3.021 -1.121) 3.350 9.187 ( -0.287 -6.854 1.618) 7.048 9.187 ( -0.287 6.854 1.618) 7.048 9.400 ( -7.165 -1.309 -1.228) 7.386 9.400 ( -7.165 1.309 -1.228) 7.386 9.542 ( -0.527 -5.832 1.388) 6.018 9.542 ( -0.527 5.832 1.388) 6.018 9.753 ( -4.351 -4.499 2.467) 6.727 9.753 ( -4.351 4.499 2.467) 6.727 10.021 ( -6.380 -2.395 -1.490) 6.976 10.021 ( -6.380 2.395 -1.490) 6.976 10.559 ( 3.215 -2.576 -4.271) 5.934 10.559 ( 3.215 2.576 -4.271) 5.934 10.681 ( 3.586 -3.620 2.952) 5.889 10.681 ( 3.586 3.620 2.952) 5.889 11.016 ( -0.322 -2.418 -5.213) 5.756 11.016 ( -0.322 2.418 -5.213) 5.756 11.079 ( 1.437 -0.976 3.489) 3.898 11.079 ( 1.437 0.976 3.489) 3.898 11.356 ( 1.268 -5.486 3.796) 6.790 11.356 ( 1.268 5.486 3.796) 6.790 11.783 ( 1.231 -2.749 1.006) 3.176 11.783 ( 1.231 2.749 1.006) 3.176 11.972 ( -2.306 -0.876 -1.159) 2.726 11.972 ( -2.306 0.876 -1.159) 2.726 12.052 ( -0.334 -0.852 -2.383) 2.553 12.052 ( -0.334 0.852 -2.383) 2.553 12.283 ( 2.984 -3.624 -1.884) 5.059 12.283 ( 2.984 3.624 -1.884) 5.059 12.645 ( -0.005 -0.219 5.976) 5.980 12.645 ( -0.005 0.219 5.976) 5.980 12.806 ( 1.650 -3.449 -8.742) 9.542 12.806 ( 1.650 3.449 -8.742) 9.542 13.134 ( -8.113 -0.743 -3.224) 8.761 13.134 ( -8.113 0.743 -3.224) 8.761 13.552 ( -1.304 -3.823 4.638) 6.151 13.552 ( -1.304 3.823 4.638) 6.151 13.663 ( -2.097 -3.123 -4.077) 5.547 13.663 ( -2.097 3.123 -4.077) 5.547 13.889 ( -1.492 -4.923 5.846) 7.787 13.889 ( -1.492 4.923 5.846) 7.787 14.452 ( 0.786 -2.070 -1.104) 2.474 14.452 ( 0.786 2.070 -1.104) 2.474 14.776 ( -3.363 -8.667 8.904) 12.873 14.776 ( -3.363 8.667 8.904) 12.873 14.981 ( 7.322 -7.597 -5.551) 11.923 14.981 ( 7.322 7.597 -5.551) 11.923 15.564 ( 10.604 -7.477 2.303) 13.178 15.564 ( 10.604 7.477 2.303) 13.178 16.534 ( -5.997 -0.989 -4.351) 7.475 16.534 ( -5.997 0.989 -4.351) 7.475 17.219 ( -4.521 -2.172 6.563) 8.260 17.219 ( -4.521 2.172 6.563) 8.260 17.391 ( -1.157 -2.602 -5.253) 5.976 17.391 ( -1.157 2.602 -5.253) 5.976 ======================= Grid point 195 (105/108) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 5.071 -1.791 1.151) 5.500 2.346 ( 5.071 1.791 1.151) 5.500 2.654 ( -7.738 -1.894 3.272) 8.612 2.654 ( -7.738 1.894 3.272) 8.612 2.840 ( 7.504 -3.266 -2.072) 8.442 2.840 ( 7.504 3.266 -2.072) 8.442 3.247 ( -5.022 -4.521 2.006) 7.048 3.247 ( -5.022 4.521 2.006) 7.048 3.964 ( 11.678 -2.706 -0.179) 11.988 3.964 ( 11.678 2.706 -0.179) 11.988 4.059 ( 6.165 -2.292 2.829) 7.160 4.059 ( 6.165 2.292 2.829) 7.160 4.253 ( 3.864 -3.671 0.436) 5.347 4.253 ( 3.864 3.671 0.436) 5.347 4.460 ( -3.664 -4.463 -4.612) 7.390 4.460 ( -3.664 4.463 -4.612) 7.390 4.728 ( -2.231 -2.578 6.242) 7.113 4.728 ( -2.231 2.578 6.242) 7.113 4.901 ( 5.018 -4.267 -7.311) 9.841 4.901 ( 5.018 4.267 -7.311) 9.841 5.233 ( 5.864 -3.459 -3.901) 7.847 5.233 ( 5.864 3.459 -3.901) 7.847 5.366 ( -5.919 -5.399 1.300) 8.116 5.366 ( -5.919 5.399 1.300) 8.116 5.599 ( -7.072 -1.927 -1.204) 7.428 5.599 ( -7.072 1.927 -1.204) 7.428 5.736 ( -6.593 -1.680 -1.533) 6.974 5.736 ( -6.593 1.680 -1.533) 6.974 5.851 ( -3.096 -1.274 6.741) 7.527 5.851 ( -3.096 1.274 6.741) 7.527 6.063 ( 1.988 -3.077 -3.452) 5.033 6.063 ( 1.988 3.077 -3.452) 5.033 6.233 ( -1.664 -2.596 -0.812) 3.188 6.233 ( -1.664 2.596 -0.812) 3.188 6.709 ( 3.210 -2.229 -1.290) 4.115 6.709 ( 3.210 2.229 -1.290) 4.115 7.068 ( 4.991 -0.026 1.449) 5.197 7.068 ( 4.991 0.026 1.449) 5.197 7.301 ( -5.599 -3.498 3.474) 7.460 7.301 ( -5.599 3.498 3.474) 7.460 7.486 ( 4.464 -4.361 1.367) 6.389 7.486 ( 4.464 4.361 1.367) 6.389 7.669 ( 8.962 -1.316 -3.025) 9.550 7.669 ( 8.962 1.316 -3.025) 9.550 7.953 ( -5.476 -5.193 0.534) 7.565 7.953 ( -5.476 5.193 0.534) 7.565 8.005 ( -1.809 -7.404 -2.714) 8.091 8.005 ( -1.809 7.404 -2.714) 8.091 8.451 ( 0.641 -1.652 2.499) 3.064 8.451 ( 0.641 1.652 2.499) 3.064 8.595 ( 4.791 -0.923 -0.999) 4.980 8.595 ( 4.791 0.923 -0.999) 4.980 8.885 ( -5.087 -3.578 3.961) 7.374 8.885 ( -5.087 3.578 3.961) 7.374 9.216 ( -1.477 -0.770 -3.829) 4.176 9.216 ( -1.477 0.770 -3.829) 4.176 9.341 ( 5.813 -5.003 2.620) 8.105 9.341 ( 5.813 5.003 2.620) 8.105 9.525 ( -5.554 -4.289 1.087) 7.101 9.525 ( -5.554 4.289 1.087) 7.101 9.744 ( 4.985 -0.579 -0.492) 5.043 9.744 ( 4.985 0.579 -0.492) 5.043 9.882 ( -6.734 -4.071 -1.174) 7.956 9.882 ( -6.734 4.071 -1.174) 7.956 10.557 ( -0.917 -1.425 -2.446) 2.975 10.557 ( -0.917 1.425 -2.446) 2.975 10.768 ( 2.740 -4.478 3.810) 6.486 10.768 ( 2.740 4.478 3.810) 6.486 10.939 ( -2.144 -4.906 -5.089) 7.386 10.939 ( -2.144 4.906 -5.089) 7.386 11.136 ( 1.378 -1.136 2.917) 3.420 11.136 ( 1.378 1.136 2.917) 3.420 11.416 ( 1.732 -4.556 0.367) 4.888 11.416 ( 1.732 4.556 0.367) 4.888 11.757 ( -2.349 -3.019 0.502) 3.858 11.757 ( -2.349 3.019 0.502) 3.858 11.941 ( -0.416 -0.939 -0.767) 1.282 11.941 ( -0.416 0.939 -0.767) 1.282 12.076 ( 2.664 -1.905 0.031) 3.275 12.076 ( 2.664 1.905 0.031) 3.275 12.310 ( 0.541 -3.491 -1.856) 3.991 12.310 ( 0.541 3.491 -1.856) 3.991 12.648 ( -1.462 -0.765 3.009) 3.432 12.648 ( -1.462 0.765 3.009) 3.432 12.840 ( 4.177 -4.100 -4.233) 7.223 12.840 ( 4.177 4.100 -4.233) 7.223 12.979 ( -4.678 -2.948 -3.682) 6.643 12.979 ( -4.678 2.948 -3.682) 6.643 13.540 ( -2.745 -3.572 4.941) 6.687 13.540 ( -2.745 3.572 4.941) 6.687 13.630 ( 1.114 -2.317 -4.946) 5.574 13.630 ( 1.114 2.317 -4.946) 5.574 13.922 ( 0.449 -6.873 10.347) 12.430 13.922 ( 0.449 6.873 10.347) 12.430 14.321 ( -5.912 -10.302 -13.904) 18.287 14.321 ( -5.912 10.302 -13.904) 18.287 14.816 ( -3.801 -12.367 19.333) 23.262 14.816 ( -3.801 12.367 19.333) 23.262 15.129 ( 10.838 -17.534 -8.625) 22.345 15.129 ( 10.838 17.534 -8.625) 22.345 15.814 ( 12.147 -7.487 4.814) 15.059 15.814 ( 12.147 7.487 4.814) 15.059 16.307 ( -12.529 -1.458 -6.871) 14.364 16.307 ( -12.529 1.458 -6.871) 14.364 17.204 ( -2.065 -0.598 7.431) 7.735 17.204 ( -2.065 0.598 7.431) 7.735 17.349 ( 0.773 -1.164 -6.230) 6.385 17.349 ( 0.773 1.164 -6.230) 6.385 ======================= Grid point 197 (106/108) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -6.368 -6.226 2.319) 9.203 2.334 ( -6.368 6.226 2.319) 9.203 2.683 ( 8.915 -3.621 1.064) 9.680 2.683 ( 8.915 3.621 1.064) 9.680 2.819 ( -8.947 -2.944 -0.701) 9.445 2.819 ( -8.947 2.944 -0.701) 9.445 3.265 ( 5.468 -2.890 0.361) 6.196 3.265 ( 5.468 2.890 0.361) 6.196 3.959 ( -10.579 -2.982 0.313) 10.995 3.959 ( -10.579 2.982 0.313) 10.995 4.128 ( -6.068 -5.367 -2.983) 8.633 4.128 ( -6.068 5.367 -2.983) 8.633 4.243 ( -0.543 -4.814 1.104) 4.969 4.243 ( -0.543 4.814 1.104) 4.969 4.396 ( -0.649 -3.095 1.079) 3.341 4.396 ( -0.649 3.095 1.079) 3.341 4.719 ( -4.412 -0.852 5.946) 7.453 4.719 ( -4.412 0.852 5.946) 7.453 4.920 ( 3.591 -3.625 -7.829) 9.345 4.920 ( 3.591 3.625 -7.829) 9.345 5.171 ( -9.244 -3.986 1.715) 10.212 5.171 ( -9.244 3.986 1.715) 10.212 5.397 ( 7.901 -3.546 -1.756) 8.837 5.397 ( 7.901 3.546 -1.756) 8.837 5.590 ( 6.668 -1.237 -0.902) 6.841 5.590 ( 6.668 1.237 -0.902) 6.841 5.717 ( 4.785 -1.827 0.591) 5.156 5.717 ( 4.785 1.827 0.591) 5.156 5.912 ( 3.527 -3.588 4.910) 7.030 5.912 ( 3.527 3.588 4.910) 7.030 6.052 ( 1.879 -1.767 -7.621) 8.045 6.052 ( 1.879 1.767 -7.621) 8.045 6.231 ( 0.929 -0.741 1.044) 1.582 6.231 ( 0.929 0.741 1.044) 1.582 6.703 ( -2.925 -0.213 -0.713) 3.018 6.703 ( -2.925 0.213 -0.713) 3.018 7.060 ( -6.683 -2.615 2.296) 7.535 7.060 ( -6.683 2.615 2.296) 7.535 7.321 ( 5.532 -5.342 1.405) 7.818 7.321 ( 5.532 5.342 1.405) 7.818 7.485 ( -5.821 -3.242 1.877) 6.922 7.485 ( -5.821 3.242 1.877) 6.922 7.649 ( -7.930 -3.888 -1.447) 8.950 7.649 ( -7.930 3.888 -1.447) 8.950 7.961 ( 6.826 -6.836 -0.984) 9.710 7.961 ( 6.826 6.836 -0.984) 9.710 8.032 ( 4.492 -4.562 -4.745) 7.970 8.032 ( 4.492 4.562 -4.745) 7.970 8.410 ( -7.788 -4.810 5.937) 10.911 8.410 ( -7.788 4.810 5.937) 10.911 8.636 ( 1.620 -5.607 -4.428) 7.327 8.636 ( 1.620 5.607 -4.428) 7.327 8.849 ( -1.504 -1.008 7.220) 7.443 8.849 ( -1.504 1.008 7.220) 7.443 9.193 ( 0.821 -3.941 -0.772) 4.099 9.193 ( 0.821 3.941 -0.772) 4.099 9.380 ( -5.616 -6.611 -1.808) 8.861 9.380 ( -5.616 6.611 -1.808) 8.861 9.529 ( 9.122 -3.616 1.189) 9.885 9.529 ( 9.122 3.616 1.189) 9.885 9.728 ( -5.625 -1.840 0.747) 5.966 9.728 ( -5.625 1.840 0.747) 5.966 9.909 ( 8.782 -4.530 -3.511) 10.486 9.909 ( 8.782 4.530 -3.511) 10.486 10.515 ( -2.660 -1.642 1.593) 3.508 10.515 ( -2.660 1.642 1.593) 3.508 10.805 ( -1.735 -4.364 1.789) 5.025 10.805 ( -1.735 4.364 1.789) 5.025 10.910 ( 2.329 -5.100 -3.919) 6.840 10.910 ( 2.329 5.100 -3.919) 6.840 11.145 ( -2.179 -4.322 2.299) 5.358 11.145 ( -2.179 4.322 2.299) 5.358 11.421 ( -0.172 -3.241 -0.304) 3.260 11.421 ( -0.172 3.241 -0.304) 3.260 11.753 ( 1.223 -2.335 0.557) 2.694 11.753 ( 1.223 2.335 0.557) 2.694 11.940 ( 0.546 -1.450 -0.899) 1.791 11.940 ( 0.546 1.450 -0.899) 1.791 12.098 ( -0.219 -2.502 -1.471) 2.911 12.098 ( -0.219 2.502 -1.471) 2.911 12.295 ( -1.179 -1.101 -0.372) 1.656 12.295 ( -1.179 1.101 -0.372) 1.656 12.665 ( 2.195 -0.506 0.799) 2.390 12.665 ( 2.195 0.506 0.799) 2.390 12.798 ( -5.398 -5.013 0.351) 7.374 12.798 ( -5.398 5.013 0.351) 7.374 12.993 ( 6.644 -3.469 -5.113) 9.073 12.993 ( 6.644 3.469 -5.113) 9.073 13.513 ( -3.060 -2.385 6.411) 7.494 13.513 ( -3.060 2.385 6.411) 7.494 13.629 ( 1.225 -3.337 -3.735) 5.156 13.629 ( 1.225 3.337 -3.735) 5.156 14.031 ( 2.438 -7.778 10.740) 13.483 14.031 ( 2.438 7.778 10.740) 13.483 14.167 ( 0.125 -10.237 -10.367) 14.570 14.167 ( 0.125 10.237 -10.367) 14.570 14.813 ( -7.697 -13.707 16.747) 22.969 14.813 ( -7.697 13.707 16.747) 22.969 15.238 ( 6.688 -17.987 -16.550) 25.342 15.238 ( 6.688 17.987 -16.550) 25.342 15.900 ( -10.960 -1.199 -0.616) 11.043 15.900 ( -10.960 1.199 -0.616) 11.043 16.193 ( 9.461 -3.996 2.036) 10.470 16.193 ( 9.461 3.996 2.036) 10.470 17.192 ( -3.778 -1.441 7.121) 8.188 17.192 ( -3.778 1.441 7.121) 8.188 17.367 ( 5.055 -1.572 -6.536) 8.411 17.367 ( 5.055 1.572 -6.536) 8.411 ======================= Grid point 199 (107/108) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -10.809 -7.045 0.038) 12.902 2.193 ( -10.809 7.045 0.038) 12.902 2.549 ( -15.984 -5.393 2.056) 16.994 2.549 ( -15.984 5.393 2.056) 16.994 2.911 ( 12.305 -4.098 0.553) 12.981 2.911 ( 12.305 4.098 0.553) 12.981 3.396 ( 7.519 -5.631 -0.738) 9.423 3.396 ( 7.519 5.631 -0.738) 9.423 3.596 ( -19.590 -5.230 -0.539) 20.284 3.596 ( -19.590 5.230 -0.539) 20.284 4.011 ( -4.920 -4.233 -0.868) 6.548 4.011 ( -4.920 4.233 -0.868) 6.548 4.201 ( -4.341 -8.247 -2.813) 9.735 4.201 ( -4.341 8.247 -2.813) 9.735 4.439 ( 1.034 -3.043 3.771) 4.954 4.439 ( 1.034 3.043 3.771) 4.954 4.646 ( -4.264 -1.541 3.838) 5.940 4.646 ( -4.264 1.541 3.838) 5.940 4.923 ( 3.520 -4.125 -5.883) 8.001 4.923 ( 3.520 4.125 -5.883) 8.001 5.084 ( -2.958 -1.476 4.297) 5.421 5.084 ( -2.958 1.476 4.297) 5.421 5.460 ( 1.391 -4.841 -3.325) 6.035 5.460 ( 1.391 4.841 -3.325) 6.035 5.746 ( 1.580 -4.706 1.061) 5.076 5.746 ( 1.580 4.706 1.061) 5.076 5.830 ( 6.639 -0.974 1.229) 6.821 5.830 ( 6.639 0.974 1.229) 6.821 5.997 ( 4.035 -2.893 0.979) 5.060 5.997 ( 4.035 2.893 0.979) 5.060 6.122 ( 8.377 -4.842 -5.268) 11.017 6.122 ( 8.377 4.842 -5.268) 11.017 6.267 ( 2.979 -3.355 -0.003) 4.487 6.267 ( 2.979 3.355 -0.003) 4.487 6.626 ( -4.331 -0.399 -0.960) 4.455 6.626 ( -4.331 0.399 -0.960) 4.455 6.919 ( -7.490 -2.546 1.971) 8.152 6.919 ( -7.490 2.546 1.971) 8.152 7.259 ( -11.563 -1.045 3.506) 12.128 7.259 ( -11.563 1.045 3.506) 12.128 7.478 ( 1.756 -3.073 -1.425) 3.815 7.478 ( 1.756 3.073 -1.425) 3.815 7.555 ( 2.326 -2.685 -1.164) 3.739 7.555 ( 2.326 2.685 -1.164) 3.739 8.006 ( -4.581 -7.373 0.407) 8.690 8.006 ( -4.581 7.373 0.407) 8.690 8.101 ( 4.181 -3.297 -0.929) 5.405 8.101 ( 4.181 3.297 -0.929) 5.405 8.262 ( -7.249 -2.747 3.301) 8.426 8.262 ( -7.249 2.747 3.301) 8.426 8.607 ( -2.050 -6.509 -5.568) 8.807 8.607 ( -2.050 6.509 -5.568) 8.807 8.893 ( 0.149 -2.196 5.101) 5.556 8.893 ( 0.149 2.196 5.101) 5.556 9.193 ( 1.618 -4.841 0.742) 5.157 9.193 ( 1.618 4.841 0.742) 5.157 9.384 ( 5.171 -1.676 0.215) 5.440 9.384 ( 5.171 1.676 0.215) 5.440 9.578 ( -1.399 -3.358 -1.900) 4.104 9.578 ( -1.399 3.358 -1.900) 4.104 9.780 ( 8.449 -3.838 1.026) 9.336 9.780 ( 8.449 3.838 1.026) 9.336 10.029 ( 5.385 -4.295 -3.082) 7.546 10.029 ( 5.385 4.295 -3.082) 7.546 10.480 ( -2.759 -2.648 3.538) 5.210 10.480 ( -2.759 2.648 3.538) 5.210 10.733 ( -4.791 -3.652 -1.985) 6.343 10.733 ( -4.791 3.652 -1.985) 6.343 10.927 ( -1.992 -3.527 3.005) 5.044 10.927 ( -1.992 3.527 3.005) 5.044 11.114 ( -0.569 -4.342 0.348) 4.393 11.114 ( -0.569 4.342 0.348) 4.393 11.424 ( 1.238 -2.692 -2.497) 3.875 11.424 ( 1.238 2.692 -2.497) 3.875 11.765 ( -2.047 -1.758 2.193) 3.477 11.765 ( -2.047 1.758 2.193) 3.477 11.949 ( 1.276 -1.959 0.088) 2.340 11.949 ( 1.276 1.959 0.088) 2.340 12.086 ( 0.689 -3.005 -4.745) 5.658 12.086 ( 0.689 3.005 -4.745) 5.658 12.256 ( -1.963 -2.605 0.930) 3.392 12.256 ( -1.963 2.605 0.930) 3.392 12.676 ( -4.134 -5.897 2.896) 7.762 12.676 ( -4.134 5.897 2.896) 7.762 12.763 ( 4.423 -2.180 -3.806) 6.229 12.763 ( 4.423 2.180 -3.806) 6.229 13.104 ( 6.437 -1.719 -0.933) 6.727 13.104 ( 6.437 1.719 -0.933) 6.727 13.518 ( -0.681 -2.342 7.922) 8.289 13.518 ( -0.681 2.342 7.922) 8.289 13.637 ( 1.790 -3.590 -1.950) 4.461 13.637 ( 1.790 3.590 -1.950) 4.461 14.032 ( -0.224 -10.394 -6.744) 12.392 14.032 ( -0.224 10.394 -6.744) 12.392 14.285 ( 7.090 -6.153 9.727) 13.518 14.285 ( 7.090 6.153 9.727) 13.518 14.725 ( -9.439 -13.252 10.195) 19.200 14.725 ( -9.439 13.252 10.195) 19.200 15.161 ( -4.032 -9.828 -14.382) 17.880 15.161 ( -4.032 9.828 -14.382) 17.880 15.684 ( -5.538 -5.017 -9.848) 12.362 15.684 ( -5.538 5.017 -9.848) 12.362 16.415 ( 7.392 -1.173 7.391) 10.519 16.415 ( 7.392 1.173 7.391) 10.519 17.168 ( -2.440 -4.361 7.773) 9.241 17.168 ( -2.440 4.361 7.773) 9.241 17.446 ( 6.670 -6.129 -7.019) 11.459 17.446 ( 6.670 6.129 -7.019) 11.459 ======================= Grid point 201 (108/108) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 3.43e-04 3.43e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -22.827 -1.677 -1.815) 22.960 1.823 ( -22.827 1.677 -1.815) 22.960 2.388 ( -3.051 -7.302 3.764) 8.763 2.388 ( -3.051 7.302 3.764) 8.763 3.114 ( 5.862 -1.941 1.008) 6.256 3.114 ( 5.862 1.941 1.008) 6.256 3.328 ( -5.019 -1.262 0.438) 5.194 3.328 ( -5.019 1.262 0.438) 5.194 3.557 ( 8.249 -3.762 -2.173) 9.323 3.557 ( 8.249 3.762 -2.173) 9.323 3.909 ( -5.541 -2.269 1.442) 6.158 3.909 ( -5.541 2.269 1.442) 6.158 4.043 ( -9.236 -14.190 -2.629) 17.133 4.043 ( -9.236 14.190 -2.629) 17.133 4.426 ( -2.114 -1.131 2.640) 3.566 4.426 ( -2.114 1.131 2.640) 3.566 4.703 ( 6.924 -0.895 0.173) 6.983 4.703 ( 6.924 0.895 0.173) 6.983 4.970 ( 2.913 -3.176 -3.587) 5.607 4.970 ( 2.913 3.176 -3.587) 5.607 5.066 ( -2.189 -1.487 3.162) 4.123 5.066 ( -2.189 1.487 3.162) 4.123 5.445 ( -1.267 -3.423 -1.520) 3.954 5.445 ( -1.267 3.423 -1.520) 3.954 5.700 ( -2.316 -6.604 0.733) 7.036 5.700 ( -2.316 6.604 0.733) 7.036 5.917 ( 0.615 -2.571 1.446) 3.013 5.917 ( 0.615 2.571 1.446) 3.013 6.086 ( 3.696 -3.920 -2.585) 5.976 6.086 ( 3.696 3.920 -2.585) 5.976 6.191 ( 2.512 -5.427 -2.475) 6.472 6.191 ( 2.512 5.427 -2.475) 6.472 6.327 ( -1.519 -1.458 -0.754) 2.236 6.327 ( -1.519 1.458 -0.754) 2.236 6.541 ( -0.173 -2.773 2.102) 3.484 6.541 ( -0.173 2.773 2.102) 3.484 6.874 ( 0.863 -2.230 0.745) 2.505 6.874 ( 0.863 2.230 0.745) 2.505 7.074 ( -7.986 -1.166 0.414) 8.082 7.074 ( -7.986 1.166 0.414) 8.082 7.454 ( -1.313 -6.565 0.025) 6.695 7.454 ( -1.313 6.565 0.025) 6.695 7.655 ( 4.291 -0.287 -2.819) 5.142 7.655 ( 4.291 0.287 -2.819) 5.142 7.884 ( -5.212 -3.896 5.376) 8.440 7.884 ( -5.212 3.896 5.376) 8.440 8.076 ( -5.467 -4.338 3.388) 7.758 8.076 ( -5.467 4.338 3.388) 7.758 8.266 ( 4.662 -6.070 -3.398) 8.374 8.266 ( 4.662 6.070 -3.398) 8.374 8.493 ( -5.649 -5.423 -4.529) 9.046 8.493 ( -5.649 5.423 -4.529) 9.046 8.909 ( -0.435 -2.782 4.280) 5.123 8.909 ( -0.435 2.782 4.280) 5.123 9.271 ( 4.563 -5.148 -2.048) 7.177 9.271 ( 4.563 5.148 -2.048) 7.177 9.459 ( 0.929 -3.353 0.562) 3.524 9.459 ( 0.929 3.353 0.562) 3.524 9.629 ( 7.349 -5.017 1.101) 8.966 9.629 ( 7.349 5.017 1.101) 8.966 9.911 ( 3.918 -7.680 -4.215) 9.597 9.911 ( 3.918 7.680 -4.215) 9.597 10.101 ( 4.006 -0.703 2.065) 4.561 10.101 ( 4.006 0.703 2.065) 4.561 10.420 ( -6.046 -0.964 1.539) 6.313 10.420 ( -6.046 0.964 1.539) 6.313 10.655 ( -0.532 -3.504 -0.236) 3.552 10.655 ( -0.532 3.504 -0.236) 3.552 10.857 ( -6.456 -1.167 3.365) 7.373 10.857 ( -6.456 1.167 3.365) 7.373 11.152 ( 4.565 -1.336 -1.207) 4.907 11.152 ( 4.565 1.336 -1.207) 4.907 11.400 ( -3.252 -1.548 -2.864) 4.601 11.400 ( -3.252 1.548 -2.864) 4.601 11.733 ( -1.998 -0.519 4.880) 5.298 11.733 ( -1.998 0.519 4.880) 5.298 11.949 ( -1.556 -0.503 -2.229) 2.765 11.949 ( -1.556 0.503 -2.229) 2.765 12.083 ( 2.404 -1.597 -0.778) 2.989 12.083 ( 2.404 1.597 -0.778) 2.989 12.256 ( 0.820 -3.917 -1.316) 4.213 12.256 ( 0.820 3.917 -1.316) 4.213 12.613 ( -3.073 -6.300 0.923) 7.070 12.613 ( -3.073 6.300 0.923) 7.070 12.837 ( 4.664 -2.192 -3.072) 6.000 12.837 ( 4.664 2.192 -3.072) 6.000 13.227 ( 5.528 -1.998 3.575) 6.880 13.227 ( 5.528 1.998 3.575) 6.880 13.554 ( -0.713 -4.957 4.536) 6.757 13.554 ( -0.713 4.957 4.536) 6.757 13.700 ( 4.947 -5.609 2.148) 7.781 13.700 ( 4.947 5.609 2.148) 7.781 13.979 ( -1.157 -10.781 -7.457) 13.160 13.979 ( -1.157 10.781 -7.457) 13.160 14.405 ( -2.342 -9.005 2.531) 9.642 14.405 ( -2.342 9.005 2.531) 9.642 14.621 ( -4.420 -8.527 11.252) 14.793 14.621 ( -4.420 8.527 11.252) 14.793 15.015 ( -2.498 -3.772 -5.551) 7.161 15.015 ( -2.498 3.772 -5.551) 7.161 15.544 ( -2.075 -8.706 -15.447) 17.853 15.544 ( -2.075 8.706 -15.447) 17.853 16.535 ( 1.618 -0.916 4.830) 5.176 16.535 ( 1.618 0.916 4.830) 5.176 17.205 ( 0.016 -8.056 11.349) 13.918 17.205 ( 0.016 8.056 11.349) 13.918 17.518 ( 5.134 -10.195 -9.102) 14.599 17.518 ( 5.134 10.195 -9.102) 14.599 =================== 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 3/37800 10.0 324.682 198.776 699.862 0.000 20.437 0.000 3/37800 20.0 83.539 66.158 124.942 0.000 5.765 0.000 3/37800 30.0 39.800 33.015 48.542 0.000 1.601 0.000 3/37800 40.0 23.617 19.557 25.803 0.000 0.409 0.000 3/37800 50.0 15.842 12.839 15.993 0.000 0.015 0.000 3/37800 60.0 11.516 9.090 10.926 0.000 -0.123 0.000 3/37800 70.0 8.866 6.826 8.003 0.000 -0.166 0.000 3/37800 80.0 7.124 5.368 6.179 0.000 -0.173 0.000 3/37800 90.0 5.916 4.379 4.968 0.000 -0.167 0.000 3/37800 100.0 5.041 3.678 4.125 0.000 -0.156 0.000 3/37800 110.0 4.385 3.163 3.513 0.000 -0.144 0.000 3/37800 120.0 3.878 2.772 3.054 0.000 -0.133 0.000 3/37800 130.0 3.477 2.467 2.701 0.000 -0.122 0.000 3/37800 140.0 3.152 2.225 2.422 0.000 -0.113 0.000 3/37800 150.0 2.885 2.027 2.197 0.000 -0.105 0.000 3/37800 160.0 2.662 1.864 2.012 0.000 -0.098 0.000 3/37800 170.0 2.473 1.727 1.858 0.000 -0.092 0.000 3/37800 180.0 2.310 1.610 1.727 0.000 -0.086 0.000 3/37800 190.0 2.169 1.509 1.615 0.000 -0.081 0.000 3/37800 200.0 2.045 1.421 1.518 0.000 -0.077 0.000 3/37800 210.0 1.936 1.344 1.433 0.000 -0.073 0.000 3/37800 220.0 1.838 1.275 1.358 0.000 -0.069 0.000 3/37800 230.0 1.751 1.214 1.291 0.000 -0.066 0.000 3/37800 240.0 1.672 1.158 1.231 0.000 -0.063 0.000 3/37800 250.0 1.600 1.108 1.177 0.000 -0.060 0.000 3/37800 260.0 1.534 1.063 1.127 0.000 -0.057 0.000 3/37800 270.0 1.474 1.021 1.082 0.000 -0.055 0.000 3/37800 280.0 1.419 0.983 1.041 0.000 -0.053 0.000 3/37800 290.0 1.368 0.947 1.003 0.000 -0.051 0.000 3/37800 300.0 1.321 0.914 0.968 0.000 -0.049 0.000 3/37800 310.0 1.277 0.884 0.935 0.000 -0.047 0.000 3/37800 320.0 1.236 0.855 0.905 0.000 -0.046 0.000 3/37800 330.0 1.197 0.829 0.876 0.000 -0.044 0.000 3/37800 340.0 1.161 0.804 0.850 0.000 -0.043 0.000 3/37800 350.0 1.127 0.780 0.825 0.000 -0.042 0.000 3/37800 360.0 1.095 0.758 0.801 0.000 -0.040 0.000 3/37800 370.0 1.065 0.737 0.779 0.000 -0.039 0.000 3/37800 380.0 1.037 0.718 0.759 0.000 -0.038 0.000 3/37800 390.0 1.010 0.699 0.739 0.000 -0.037 0.000 3/37800 400.0 0.985 0.682 0.720 0.000 -0.036 0.000 3/37800 410.0 0.960 0.665 0.702 0.000 -0.035 0.000 3/37800 420.0 0.937 0.649 0.685 0.000 -0.034 0.000 3/37800 430.0 0.915 0.634 0.669 0.000 -0.034 0.000 3/37800 440.0 0.894 0.619 0.654 0.000 -0.033 0.000 3/37800 450.0 0.874 0.605 0.639 0.000 -0.032 0.000 3/37800 460.0 0.855 0.592 0.625 0.000 -0.031 0.000 3/37800 470.0 0.837 0.580 0.612 0.000 -0.031 0.000 3/37800 480.0 0.820 0.568 0.599 0.000 -0.030 0.000 3/37800 490.0 0.803 0.556 0.587 0.000 -0.029 0.000 3/37800 500.0 0.787 0.545 0.575 0.000 -0.029 0.000 3/37800 510.0 0.771 0.534 0.564 0.000 -0.028 0.000 3/37800 520.0 0.756 0.524 0.553 0.000 -0.028 0.000 3/37800 530.0 0.742 0.514 0.543 0.000 -0.027 0.000 3/37800 540.0 0.728 0.504 0.533 0.000 -0.027 0.000 3/37800 550.0 0.715 0.495 0.523 0.000 -0.026 0.000 3/37800 560.0 0.702 0.486 0.514 0.000 -0.026 0.000 3/37800 570.0 0.690 0.478 0.505 0.000 -0.025 0.000 3/37800 580.0 0.678 0.470 0.496 0.000 -0.025 0.000 3/37800 590.0 0.667 0.462 0.487 0.000 -0.024 0.000 3/37800 600.0 0.656 0.454 0.479 0.000 -0.024 0.000 3/37800 610.0 0.645 0.447 0.471 0.000 -0.023 0.000 3/37800 620.0 0.634 0.440 0.464 0.000 -0.023 0.000 3/37800 630.0 0.624 0.433 0.457 0.000 -0.023 0.000 3/37800 640.0 0.615 0.426 0.449 0.000 -0.022 0.000 3/37800 650.0 0.605 0.419 0.443 0.000 -0.022 0.000 3/37800 660.0 0.596 0.413 0.436 0.000 -0.022 0.000 3/37800 670.0 0.587 0.407 0.429 0.000 -0.021 0.000 3/37800 680.0 0.579 0.401 0.423 0.000 -0.021 0.000 3/37800 690.0 0.570 0.395 0.417 0.000 -0.021 0.000 3/37800 700.0 0.562 0.389 0.411 0.000 -0.020 0.000 3/37800 710.0 0.554 0.384 0.405 0.000 -0.020 0.000 3/37800 720.0 0.546 0.379 0.400 0.000 -0.020 0.000 3/37800 730.0 0.539 0.373 0.394 0.000 -0.019 0.000 3/37800 740.0 0.532 0.368 0.389 0.000 -0.019 0.000 3/37800 750.0 0.525 0.364 0.384 0.000 -0.019 0.000 3/37800 760.0 0.518 0.359 0.379 0.000 -0.019 0.000 3/37800 770.0 0.511 0.354 0.374 0.000 -0.018 0.000 3/37800 780.0 0.504 0.350 0.369 0.000 -0.018 0.000 3/37800 790.0 0.498 0.345 0.364 0.000 -0.018 0.000 3/37800 800.0 0.492 0.341 0.360 0.000 -0.018 0.000 3/37800 810.0 0.486 0.337 0.355 0.000 -0.018 0.000 3/37800 820.0 0.480 0.333 0.351 0.000 -0.017 0.000 3/37800 830.0 0.474 0.329 0.347 0.000 -0.017 0.000 3/37800 840.0 0.469 0.325 0.343 0.000 -0.017 0.000 3/37800 850.0 0.463 0.321 0.339 0.000 -0.017 0.000 3/37800 860.0 0.458 0.317 0.335 0.000 -0.016 0.000 3/37800 870.0 0.452 0.314 0.331 0.000 -0.016 0.000 3/37800 880.0 0.447 0.310 0.327 0.000 -0.016 0.000 3/37800 890.0 0.442 0.307 0.323 0.000 -0.016 0.000 3/37800 900.0 0.437 0.303 0.320 0.000 -0.016 0.000 3/37800 910.0 0.433 0.300 0.316 0.000 -0.016 0.000 3/37800 920.0 0.428 0.297 0.313 0.000 -0.015 0.000 3/37800 930.0 0.423 0.293 0.310 0.000 -0.015 0.000 3/37800 940.0 0.419 0.290 0.306 0.000 -0.015 0.000 3/37800 950.0 0.414 0.287 0.303 0.000 -0.015 0.000 3/37800 960.0 0.410 0.284 0.300 0.000 -0.015 0.000 3/37800 970.0 0.406 0.281 0.297 0.000 -0.015 0.000 3/37800 980.0 0.402 0.278 0.294 0.000 -0.014 0.000 3/37800 990.0 0.398 0.276 0.291 0.000 -0.014 0.000 3/37800 1000.0 0.394 0.273 0.288 0.000 -0.014 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m7105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:55:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|