----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:46:18]------------------------- Compiled with OpenMP support (max 32 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 7.563387420174791 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690050790000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): *1 H 0.80730452414810 0.05305023446199 0.72311473938051 1.008 2 H 0.19269547585190 0.55305023446199 0.77688526061949 1.008 3 H 0.19269547585190 0.94694976553801 0.27688526061949 1.008 4 H 0.80730452414810 0.44694976553801 0.22311473938051 1.008 *5 H 0.99911910390882 0.08085200314632 0.68168959169722 1.008 6 H 0.00088089609118 0.58085200314632 0.81831040830278 1.008 7 H 0.00088089609118 0.91914799685368 0.31831040830278 1.008 8 H 0.99911910390882 0.41914799685368 0.18168959169722 1.008 *9 H 0.89298704961432 0.76709732121199 0.00930910828995 1.008 10 H 0.10701295038568 0.26709732121199 0.49069089171005 1.008 11 H 0.10701295038568 0.23290267878801 0.99069089171005 1.008 12 H 0.89298704961432 0.73290267878801 0.50930910828995 1.008 *13 O 0.85882292874366 0.09455137621616 0.62702280820287 15.999 *14 O 0.43560574422947 0.20755115211765 0.54414434052263 15.999 15 O 0.56439425577053 0.79244884788235 0.45585565947737 15.999 16 O 0.43560574422947 0.29244884788235 0.04414434052263 15.999 *17 O 0.32186360674759 0.52403083702762 0.63871464066595 15.999 18 O 0.67813639325242 0.02403083702762 0.86128535933405 15.999 19 O 0.67813639325242 0.47596916297238 0.36128535933405 15.999 20 O 0.32186360674759 0.97596916297238 0.13871464066595 15.999 *21 O 0.23148754961896 0.44302332836642 0.29699811591523 15.999 22 O 0.76851245038104 0.94302332836642 0.20300188408477 15.999 23 O 0.76851245038104 0.55697667163358 0.70300188408477 15.999 24 O 0.23148754961896 0.05697667163358 0.79699811591523 15.999 25 O 0.14117707125634 0.90544862378384 0.37297719179713 15.999 26 O 0.85882292874366 0.40544862378384 0.12702280820287 15.999 27 O 0.56439425577053 0.70755115211765 0.95585565947737 15.999 28 O 0.14117707125634 0.59455137621616 0.87297719179713 15.999 *29 P 0.27286919852127 0.13790041264768 0.98877960773879 30.974 30 P 0.72713080147873 0.63790041264768 0.51122039226121 30.974 31 P 0.72713080147873 0.86209958735232 0.01122039226121 30.974 32 P 0.27286919852127 0.36209958735232 0.48877960773879 30.974 *33 Ca 0.61118568423436 0.12957651110129 0.35163506136881 40.078 34 Ca 0.38881431576564 0.62957651110129 0.14836493863119 40.078 35 Ca 0.38881431576564 0.87042348889871 0.64836493863119 40.078 36 Ca 0.61118568423436 0.37042348889871 0.85163506136881 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.563387420174791 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690050790000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): *1 H 0.80730452414810 0.05305023446199 0.72311473938051 1.008 > 1 2 H 0.19269547585190 0.55305023446199 0.77688526061949 1.008 > 2 3 H 0.19269547585190 0.94694976553801 0.27688526061949 1.008 > 3 4 H 0.80730452414810 0.44694976553801 0.22311473938051 1.008 > 4 *5 H 0.99911910390882 0.08085200314632 0.68168959169722 1.008 > 5 6 H 0.00088089609118 0.58085200314632 0.81831040830278 1.008 > 6 7 H 0.00088089609118 0.91914799685368 0.31831040830278 1.008 > 7 8 H 0.99911910390882 0.41914799685368 0.18168959169722 1.008 > 8 *9 H 0.89298704961432 0.76709732121199 0.00930910828995 1.008 > 9 10 H 0.10701295038568 0.26709732121199 0.49069089171005 1.008 > 10 11 H 0.10701295038568 0.23290267878801 0.99069089171005 1.008 > 11 12 H 0.89298704961432 0.73290267878801 0.50930910828995 1.008 > 12 *13 O 0.85882292874366 0.09455137621616 0.62702280820287 15.999 > 13 *14 O 0.43560574422947 0.20755115211765 0.54414434052263 15.999 > 14 15 O 0.56439425577053 0.79244884788235 0.45585565947737 15.999 > 15 16 O 0.43560574422947 0.29244884788235 0.04414434052263 15.999 > 16 *17 O 0.32186360674759 0.52403083702762 0.63871464066595 15.999 > 17 18 O 0.67813639325242 0.02403083702762 0.86128535933405 15.999 > 18 19 O 0.67813639325242 0.47596916297238 0.36128535933405 15.999 > 19 20 O 0.32186360674759 0.97596916297238 0.13871464066595 15.999 > 20 *21 O 0.23148754961896 0.44302332836642 0.29699811591523 15.999 > 21 22 O 0.76851245038104 0.94302332836642 0.20300188408477 15.999 > 22 23 O 0.76851245038104 0.55697667163358 0.70300188408477 15.999 > 23 24 O 0.23148754961896 0.05697667163358 0.79699811591523 15.999 > 24 25 O 0.14117707125634 0.90544862378384 0.37297719179713 15.999 > 25 26 O 0.85882292874366 0.40544862378384 0.12702280820287 15.999 > 26 27 O 0.56439425577053 0.70755115211765 0.95585565947737 15.999 > 27 28 O 0.14117707125634 0.59455137621616 0.87297719179713 15.999 > 28 *29 P 0.27286919852127 0.13790041264768 0.98877960773879 30.974 > 29 30 P 0.72713080147873 0.63790041264768 0.51122039226121 30.974 > 30 31 P 0.72713080147873 0.86209958735232 0.01122039226121 30.974 > 31 32 P 0.27286919852127 0.36209958735232 0.48877960773879 30.974 > 32 *33 Ca 0.61118568423436 0.12957651110129 0.35163506136881 40.078 > 33 34 Ca 0.38881431576564 0.62957651110129 0.14836493863119 40.078 > 34 35 Ca 0.38881431576564 0.87042348889871 0.64836493863119 40.078 > 35 36 Ca 0.61118568423436 0.37042348889871 0.85163506136881 40.078 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.126774840349581 0.000000000000000 0.000000000000000 b 0.000000000000000 13.380101580000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): *1 H 0.40365226207405 0.02652511723100 0.72311473938051 1.008 > 1 2 H 0.90365226207405 0.02652511723100 0.72311473938051 1.008 > 1 3 H 0.40365226207405 0.52652511723100 0.72311473938051 1.008 > 1 4 H 0.90365226207405 0.52652511723100 0.72311473938051 1.008 > 1 5 H 0.09634773792595 0.27652511723100 0.77688526061949 1.008 > 2 6 H 0.59634773792595 0.27652511723100 0.77688526061949 1.008 > 2 7 H 0.09634773792595 0.77652511723100 0.77688526061949 1.008 > 2 8 H 0.59634773792595 0.77652511723100 0.77688526061949 1.008 > 2 9 H 0.09634773792595 0.47347488276900 0.27688526061949 1.008 > 3 10 H 0.59634773792595 0.47347488276900 0.27688526061949 1.008 > 3 11 H 0.09634773792595 0.97347488276900 0.27688526061949 1.008 > 3 12 H 0.59634773792595 0.97347488276900 0.27688526061949 1.008 > 3 13 H 0.40365226207405 0.22347488276900 0.22311473938051 1.008 > 4 14 H 0.90365226207405 0.22347488276900 0.22311473938051 1.008 > 4 15 H 0.40365226207405 0.72347488276900 0.22311473938051 1.008 > 4 16 H 0.90365226207405 0.72347488276900 0.22311473938051 1.008 > 4 *17 H 0.49955955195441 0.04042600157316 0.68168959169722 1.008 > 5 18 H 0.99955955195441 0.04042600157316 0.68168959169722 1.008 > 5 19 H 0.49955955195441 0.54042600157316 0.68168959169722 1.008 > 5 20 H 0.99955955195441 0.54042600157316 0.68168959169722 1.008 > 5 21 H 0.00044044804559 0.29042600157316 0.81831040830278 1.008 > 6 22 H 0.50044044804559 0.29042600157316 0.81831040830278 1.008 > 6 23 H 0.00044044804559 0.79042600157316 0.81831040830278 1.008 > 6 24 H 0.50044044804559 0.79042600157316 0.81831040830278 1.008 > 6 25 H 0.00044044804559 0.45957399842684 0.31831040830278 1.008 > 7 26 H 0.50044044804559 0.45957399842684 0.31831040830278 1.008 > 7 27 H 0.00044044804559 0.95957399842684 0.31831040830278 1.008 > 7 28 H 0.50044044804559 0.95957399842684 0.31831040830278 1.008 > 7 29 H 0.49955955195441 0.20957399842684 0.18168959169722 1.008 > 8 30 H 0.99955955195441 0.20957399842684 0.18168959169722 1.008 > 8 31 H 0.49955955195441 0.70957399842684 0.18168959169722 1.008 > 8 32 H 0.99955955195441 0.70957399842684 0.18168959169722 1.008 > 8 *33 H 0.44649352480716 0.38354866060599 0.00930910828995 1.008 > 9 34 H 0.94649352480716 0.38354866060599 0.00930910828995 1.008 > 9 35 H 0.44649352480716 0.88354866060599 0.00930910828995 1.008 > 9 36 H 0.94649352480716 0.88354866060599 0.00930910828995 1.008 > 9 37 H 0.05350647519284 0.13354866060599 0.49069089171005 1.008 > 10 38 H 0.55350647519284 0.13354866060599 0.49069089171005 1.008 > 10 39 H 0.05350647519284 0.63354866060599 0.49069089171005 1.008 > 10 40 H 0.55350647519284 0.63354866060599 0.49069089171005 1.008 > 10 41 H 0.05350647519284 0.11645133939401 0.99069089171005 1.008 > 11 42 H 0.55350647519284 0.11645133939401 0.99069089171005 1.008 > 11 43 H 0.05350647519284 0.61645133939401 0.99069089171005 1.008 > 11 44 H 0.55350647519284 0.61645133939401 0.99069089171005 1.008 > 11 45 H 0.44649352480716 0.36645133939401 0.50930910828995 1.008 > 12 46 H 0.94649352480716 0.36645133939401 0.50930910828995 1.008 > 12 47 H 0.44649352480716 0.86645133939401 0.50930910828995 1.008 > 12 48 H 0.94649352480716 0.86645133939401 0.50930910828995 1.008 > 12 *49 O 0.42941146437183 0.04727568810808 0.62702280820287 15.999 > 13 50 O 0.92941146437183 0.04727568810808 0.62702280820287 15.999 > 13 51 O 0.42941146437183 0.54727568810808 0.62702280820287 15.999 > 13 52 O 0.92941146437183 0.54727568810808 0.62702280820287 15.999 > 13 *53 O 0.21780287211473 0.10377557605883 0.54414434052263 15.999 > 14 54 O 0.71780287211473 0.10377557605883 0.54414434052263 15.999 > 14 55 O 0.21780287211473 0.60377557605883 0.54414434052263 15.999 > 14 56 O 0.71780287211473 0.60377557605883 0.54414434052263 15.999 > 14 57 O 0.28219712788527 0.39622442394117 0.45585565947737 15.999 > 15 58 O 0.78219712788527 0.39622442394117 0.45585565947737 15.999 > 15 59 O 0.28219712788527 0.89622442394117 0.45585565947737 15.999 > 15 60 O 0.78219712788527 0.89622442394117 0.45585565947737 15.999 > 15 61 O 0.21780287211473 0.14622442394117 0.04414434052263 15.999 > 16 62 O 0.71780287211473 0.14622442394117 0.04414434052263 15.999 > 16 63 O 0.21780287211473 0.64622442394117 0.04414434052263 15.999 > 16 64 O 0.71780287211473 0.64622442394117 0.04414434052263 15.999 > 16 *65 O 0.16093180337379 0.26201541851381 0.63871464066595 15.999 > 17 66 O 0.66093180337379 0.26201541851381 0.63871464066595 15.999 > 17 67 O 0.16093180337379 0.76201541851381 0.63871464066595 15.999 > 17 68 O 0.66093180337379 0.76201541851381 0.63871464066595 15.999 > 17 69 O 0.33906819662621 0.01201541851381 0.86128535933405 15.999 > 18 70 O 0.83906819662621 0.01201541851381 0.86128535933405 15.999 > 18 71 O 0.33906819662621 0.51201541851381 0.86128535933405 15.999 > 18 72 O 0.83906819662621 0.51201541851381 0.86128535933405 15.999 > 18 73 O 0.33906819662621 0.23798458148619 0.36128535933405 15.999 > 19 74 O 0.83906819662621 0.23798458148619 0.36128535933405 15.999 > 19 75 O 0.33906819662621 0.73798458148619 0.36128535933405 15.999 > 19 76 O 0.83906819662621 0.73798458148619 0.36128535933405 15.999 > 19 77 O 0.16093180337379 0.48798458148619 0.13871464066595 15.999 > 20 78 O 0.66093180337379 0.48798458148619 0.13871464066595 15.999 > 20 79 O 0.16093180337379 0.98798458148619 0.13871464066595 15.999 > 20 80 O 0.66093180337379 0.98798458148619 0.13871464066595 15.999 > 20 *81 O 0.11574377480948 0.22151166418321 0.29699811591523 15.999 > 21 82 O 0.61574377480948 0.22151166418321 0.29699811591523 15.999 > 21 83 O 0.11574377480948 0.72151166418321 0.29699811591523 15.999 > 21 84 O 0.61574377480948 0.72151166418321 0.29699811591523 15.999 > 21 85 O 0.38425622519052 0.47151166418321 0.20300188408477 15.999 > 22 86 O 0.88425622519052 0.47151166418321 0.20300188408477 15.999 > 22 87 O 0.38425622519052 0.97151166418321 0.20300188408477 15.999 > 22 88 O 0.88425622519052 0.97151166418321 0.20300188408477 15.999 > 22 89 O 0.38425622519052 0.27848833581679 0.70300188408477 15.999 > 23 90 O 0.88425622519052 0.27848833581679 0.70300188408477 15.999 > 23 91 O 0.38425622519052 0.77848833581679 0.70300188408477 15.999 > 23 92 O 0.88425622519052 0.77848833581679 0.70300188408477 15.999 > 23 93 O 0.11574377480948 0.02848833581679 0.79699811591523 15.999 > 24 94 O 0.61574377480948 0.02848833581679 0.79699811591523 15.999 > 24 95 O 0.11574377480948 0.52848833581679 0.79699811591523 15.999 > 24 96 O 0.61574377480948 0.52848833581679 0.79699811591523 15.999 > 24 97 O 0.07058853562817 0.45272431189192 0.37297719179713 15.999 > 25 98 O 0.57058853562817 0.45272431189192 0.37297719179713 15.999 > 25 99 O 0.07058853562817 0.95272431189192 0.37297719179713 15.999 > 25 100 O 0.57058853562817 0.95272431189192 0.37297719179713 15.999 > 25 101 O 0.42941146437183 0.20272431189192 0.12702280820287 15.999 > 26 102 O 0.92941146437183 0.20272431189192 0.12702280820287 15.999 > 26 103 O 0.42941146437183 0.70272431189192 0.12702280820287 15.999 > 26 104 O 0.92941146437183 0.70272431189192 0.12702280820287 15.999 > 26 105 O 0.28219712788527 0.35377557605883 0.95585565947737 15.999 > 27 106 O 0.78219712788527 0.35377557605883 0.95585565947737 15.999 > 27 107 O 0.28219712788527 0.85377557605883 0.95585565947737 15.999 > 27 108 O 0.78219712788527 0.85377557605883 0.95585565947737 15.999 > 27 109 O 0.07058853562817 0.29727568810808 0.87297719179713 15.999 > 28 110 O 0.57058853562817 0.29727568810808 0.87297719179713 15.999 > 28 111 O 0.07058853562817 0.79727568810808 0.87297719179713 15.999 > 28 112 O 0.57058853562817 0.79727568810808 0.87297719179713 15.999 > 28 *113 P 0.13643459926064 0.06895020632384 0.98877960773879 30.974 > 29 114 P 0.63643459926064 0.06895020632384 0.98877960773879 30.974 > 29 115 P 0.13643459926064 0.56895020632384 0.98877960773879 30.974 > 29 116 P 0.63643459926064 0.56895020632384 0.98877960773879 30.974 > 29 117 P 0.36356540073936 0.31895020632384 0.51122039226121 30.974 > 30 118 P 0.86356540073936 0.31895020632384 0.51122039226121 30.974 > 30 119 P 0.36356540073936 0.81895020632384 0.51122039226121 30.974 > 30 120 P 0.86356540073936 0.81895020632384 0.51122039226121 30.974 > 30 121 P 0.36356540073936 0.43104979367616 0.01122039226121 30.974 > 31 122 P 0.86356540073936 0.43104979367616 0.01122039226121 30.974 > 31 123 P 0.36356540073936 0.93104979367616 0.01122039226121 30.974 > 31 124 P 0.86356540073936 0.93104979367616 0.01122039226121 30.974 > 31 125 P 0.13643459926064 0.18104979367616 0.48877960773879 30.974 > 32 126 P 0.63643459926064 0.18104979367616 0.48877960773879 30.974 > 32 127 P 0.13643459926064 0.68104979367616 0.48877960773879 30.974 > 32 128 P 0.63643459926064 0.68104979367616 0.48877960773879 30.974 > 32 *129 Ca 0.30559284211718 0.06478825555065 0.35163506136881 40.078 > 33 130 Ca 0.80559284211718 0.06478825555065 0.35163506136881 40.078 > 33 131 Ca 0.30559284211718 0.56478825555065 0.35163506136881 40.078 > 33 132 Ca 0.80559284211718 0.56478825555065 0.35163506136881 40.078 > 33 133 Ca 0.19440715788282 0.31478825555064 0.14836493863119 40.078 > 34 134 Ca 0.69440715788282 0.31478825555064 0.14836493863119 40.078 > 34 135 Ca 0.19440715788282 0.81478825555064 0.14836493863119 40.078 > 34 136 Ca 0.69440715788282 0.81478825555064 0.14836493863119 40.078 > 34 137 Ca 0.19440715788282 0.43521174444936 0.64836493863119 40.078 > 35 138 Ca 0.69440715788282 0.43521174444936 0.64836493863119 40.078 > 35 139 Ca 0.19440715788282 0.93521174444936 0.64836493863119 40.078 > 35 140 Ca 0.69440715788282 0.93521174444936 0.64836493863119 40.078 > 35 141 Ca 0.30559284211718 0.18521174444936 0.85163506136881 40.078 > 36 142 Ca 0.80559284211718 0.18521174444936 0.85163506136881 40.078 > 36 143 Ca 0.30559284211718 0.68521174444936 0.85163506136881 40.078 > 36 144 Ca 0.80559284211718 0.68521174444936 0.85163506136881 40.078 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7032663 0.0000000 0.0004519 0.0000000 2.6892508 0.0000000 0.0004521 0.0000000 2.8247944 -------------------------- Born effective charges -------------------------- 1 H 0.8543491 0.1486439 -0.4592847 0.1977047 0.3836265 -0.1187067 -0.5228444 -0.0830687 0.6679545 2 H 0.8543491 -0.1486439 -0.4592847 -0.1977047 0.3836265 0.1187067 -0.5228444 0.0830687 0.6679545 3 H 0.8543491 0.1486439 -0.4592847 0.1977047 0.3836265 -0.1187067 -0.5228444 -0.0830687 0.6679545 4 H 0.8543491 -0.1486439 -0.4592847 -0.1977047 0.3836265 0.1187067 -0.5228444 0.0830687 0.6679545 5 H 1.1946382 0.0180403 0.4237826 0.0508750 0.3296437 0.0297149 0.5933630 -0.0090809 0.5624617 6 H 1.1946382 -0.0180403 0.4237826 -0.0508750 0.3296437 -0.0297149 0.5933630 0.0090809 0.5624617 7 H 1.1946382 0.0180403 0.4237826 0.0508750 0.3296437 0.0297149 0.5933630 -0.0090809 0.5624617 8 H 1.1946382 -0.0180403 0.4237826 -0.0508750 0.3296437 -0.0297149 0.5933630 0.0090809 0.5624617 9 H -0.2414174 0.0222901 -0.0135479 0.0095770 -0.1600029 0.0115021 -0.0156488 0.0112371 -0.1708312 10 H -0.2414174 -0.0222901 -0.0135479 -0.0095770 -0.1600029 -0.0115021 -0.0156488 -0.0112371 -0.1708312 11 H -0.2414174 0.0222901 -0.0135479 0.0095770 -0.1600029 0.0115021 -0.0156488 0.0112371 -0.1708312 12 H -0.2414174 -0.0222901 -0.0135479 -0.0095770 -0.1600029 -0.0115021 -0.0156488 -0.0112371 -0.1708312 13 O -1.6324453 -0.1187637 -0.0958343 -0.1103749 -0.9655321 0.0411765 -0.2208081 0.0419624 -1.3308843 14 O -1.6566995 0.4819514 -0.0641586 0.5691266 -1.8418005 0.1622755 -0.0348517 0.0932678 -1.4958711 15 O -1.6566995 0.4819514 -0.0641586 0.5691266 -1.8418005 0.1622755 -0.0348517 0.0932678 -1.4958711 16 O -1.6566995 -0.4819514 -0.0641586 -0.5691266 -1.8418005 -0.1622755 -0.0348517 -0.0932678 -1.4958711 17 O -1.2906710 0.1011860 0.1526476 0.0366277 -1.9157868 -0.5885626 0.0728546 -0.5854388 -1.8756463 18 O -1.2906710 -0.1011860 0.1526476 -0.0366277 -1.9157868 0.5885626 0.0728546 0.5854388 -1.8756463 19 O -1.2906710 0.1011860 0.1526476 0.0366277 -1.9157868 -0.5885626 0.0728546 -0.5854388 -1.8756463 20 O -1.2906710 -0.1011860 0.1526476 -0.0366277 -1.9157868 0.5885626 0.0728546 0.5854388 -1.8756463 21 O -1.4925585 -0.1799840 0.0378783 -0.1891478 -1.2573028 0.4052384 0.1618469 0.4648061 -2.2572344 22 O -1.4925585 0.1799840 0.0378783 0.1891478 -1.2573028 -0.4052384 0.1618469 -0.4648061 -2.2572344 23 O -1.4925585 -0.1799840 0.0378783 -0.1891478 -1.2573028 0.4052384 0.1618469 0.4648061 -2.2572344 24 O -1.4925585 0.1799840 0.0378783 0.1891478 -1.2573028 -0.4052384 0.1618469 -0.4648061 -2.2572344 25 O -1.6324453 -0.1187637 -0.0958343 -0.1103749 -0.9655321 0.0411765 -0.2208081 0.0419624 -1.3308843 26 O -1.6324453 0.1187637 -0.0958343 0.1103749 -0.9655321 -0.0411765 -0.2208081 -0.0419624 -1.3308843 27 O -1.6566995 -0.4819514 -0.0641586 -0.5691266 -1.8418005 -0.1622755 -0.0348517 -0.0932678 -1.4958711 28 O -1.6324453 0.1187637 -0.0958343 0.1103749 -0.9655321 -0.0411765 -0.2208081 -0.0419624 -1.3308843 29 P 2.0553397 0.3885325 0.0258537 0.4269007 2.8154213 -0.0129882 0.0179892 -0.0326142 3.3260161 30 P 2.0553397 -0.3885325 0.0258537 -0.4269007 2.8154213 0.0129882 0.0179892 0.0326142 3.3260161 31 P 2.0553397 0.3885325 0.0258537 0.4269007 2.8154213 -0.0129882 0.0179892 -0.0326142 3.3260161 32 P 2.0553397 -0.3885325 0.0258537 -0.4269007 2.8154213 0.0129882 0.0179892 0.0326142 3.3260161 33 Ca 2.2094648 -0.1969980 -0.0073368 -0.1665424 2.6117336 0.0605941 -0.0519007 0.1743525 2.5740349 34 Ca 2.2094648 0.1969980 -0.0073368 0.1665424 2.6117336 -0.0605941 -0.0519007 -0.1743525 2.5740349 35 Ca 2.2094648 -0.1969980 -0.0073368 -0.1665424 2.6117336 0.0605941 -0.0519007 0.1743525 2.5740349 36 Ca 2.2094648 0.1969980 -0.0073368 0.1665424 2.6117336 -0.0605941 -0.0519007 -0.1743525 2.5740349 ---------------------------------------------------------------------------- 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), 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): 0.007 Solver_block: 100 / 1120 - Time: 2.257 Solver_block: 200 / 1120 - Time: 2.142 Solver_block: 300 / 1120 - Time: 2.143 Solver_block: 400 / 1120 - Time: 2.142 Solver_block: 500 / 1120 - Time: 2.146 Solver_block: 600 / 1120 - Time: 2.144 Solver_block: 700 / 1120 - Time: 2.141 Solver_block: 800 / 1120 - Time: 2.141 Solver_block: 900 / 1120 - Time: 2.142 Solver_block: 1000 / 1120 - Time: 2.144 Solver_block: 1100 / 1120 - Time: 2.143 Solver_block: 1120 / 1120 - Time: 0.581 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.930 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), 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, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), 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 (zy) 0.00000000 (zy) 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 05:47:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:47:53]------------------------- Compiled with OpenMP support (max 32 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 7.563387420174791 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690050790000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): 1 H 0.80730452414810 0.05305023446199 0.72311473938051 1.008 2 H 0.19269547585190 0.55305023446199 0.77688526061949 1.008 3 H 0.19269547585190 0.94694976553801 0.27688526061949 1.008 4 H 0.80730452414810 0.44694976553801 0.22311473938051 1.008 5 H 0.99911910390882 0.08085200314632 0.68168959169722 1.008 6 H 0.00088089609118 0.58085200314632 0.81831040830278 1.008 7 H 0.00088089609118 0.91914799685368 0.31831040830278 1.008 8 H 0.99911910390882 0.41914799685368 0.18168959169722 1.008 9 H 0.89298704961432 0.76709732121199 0.00930910828995 1.008 10 H 0.10701295038568 0.26709732121199 0.49069089171005 1.008 11 H 0.10701295038568 0.23290267878801 0.99069089171005 1.008 12 H 0.89298704961432 0.73290267878801 0.50930910828995 1.008 13 O 0.85882292874366 0.09455137621616 0.62702280820287 15.999 14 O 0.43560574422947 0.20755115211765 0.54414434052263 15.999 15 O 0.56439425577053 0.79244884788235 0.45585565947737 15.999 16 O 0.43560574422947 0.29244884788235 0.04414434052263 15.999 17 O 0.32186360674759 0.52403083702762 0.63871464066595 15.999 18 O 0.67813639325242 0.02403083702762 0.86128535933405 15.999 19 O 0.67813639325242 0.47596916297238 0.36128535933405 15.999 20 O 0.32186360674759 0.97596916297238 0.13871464066595 15.999 21 O 0.23148754961896 0.44302332836642 0.29699811591523 15.999 22 O 0.76851245038104 0.94302332836642 0.20300188408477 15.999 23 O 0.76851245038104 0.55697667163358 0.70300188408477 15.999 24 O 0.23148754961896 0.05697667163358 0.79699811591523 15.999 25 O 0.14117707125634 0.90544862378384 0.37297719179713 15.999 26 O 0.85882292874366 0.40544862378384 0.12702280820287 15.999 27 O 0.56439425577053 0.70755115211765 0.95585565947737 15.999 28 O 0.14117707125634 0.59455137621616 0.87297719179713 15.999 29 P 0.27286919852127 0.13790041264768 0.98877960773879 30.974 30 P 0.72713080147873 0.63790041264768 0.51122039226121 30.974 31 P 0.72713080147873 0.86209958735232 0.01122039226121 30.974 32 P 0.27286919852127 0.36209958735232 0.48877960773879 30.974 33 Ca 0.61118568423436 0.12957651110129 0.35163506136881 40.078 34 Ca 0.38881431576564 0.62957651110129 0.14836493863119 40.078 35 Ca 0.38881431576564 0.87042348889871 0.64836493863119 40.078 36 Ca 0.61118568423436 0.37042348889871 0.85163506136881 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.126774840349581 0.000000000000000 0.000000000000000 b 0.000000000000000 13.380101580000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): 1 H 0.40365226207405 0.02652511723100 0.72311473938051 1.008 > 1 2 H 0.90365226207405 0.02652511723100 0.72311473938051 1.008 > 1 3 H 0.40365226207405 0.52652511723100 0.72311473938051 1.008 > 1 4 H 0.90365226207405 0.52652511723100 0.72311473938051 1.008 > 1 5 H 0.09634773792595 0.27652511723100 0.77688526061949 1.008 > 5 6 H 0.59634773792595 0.27652511723100 0.77688526061949 1.008 > 5 7 H 0.09634773792595 0.77652511723100 0.77688526061949 1.008 > 5 8 H 0.59634773792595 0.77652511723100 0.77688526061949 1.008 > 5 9 H 0.09634773792595 0.47347488276900 0.27688526061949 1.008 > 9 10 H 0.59634773792595 0.47347488276900 0.27688526061949 1.008 > 9 11 H 0.09634773792595 0.97347488276900 0.27688526061949 1.008 > 9 12 H 0.59634773792595 0.97347488276900 0.27688526061949 1.008 > 9 13 H 0.40365226207405 0.22347488276900 0.22311473938051 1.008 > 13 14 H 0.90365226207405 0.22347488276900 0.22311473938051 1.008 > 13 15 H 0.40365226207405 0.72347488276900 0.22311473938051 1.008 > 13 16 H 0.90365226207405 0.72347488276900 0.22311473938051 1.008 > 13 17 H 0.49955955195441 0.04042600157316 0.68168959169722 1.008 > 17 18 H 0.99955955195441 0.04042600157316 0.68168959169722 1.008 > 17 19 H 0.49955955195441 0.54042600157316 0.68168959169722 1.008 > 17 20 H 0.99955955195441 0.54042600157316 0.68168959169722 1.008 > 17 21 H 0.00044044804559 0.29042600157316 0.81831040830278 1.008 > 21 22 H 0.50044044804559 0.29042600157316 0.81831040830278 1.008 > 21 23 H 0.00044044804559 0.79042600157316 0.81831040830278 1.008 > 21 24 H 0.50044044804559 0.79042600157316 0.81831040830278 1.008 > 21 25 H 0.00044044804559 0.45957399842684 0.31831040830278 1.008 > 25 26 H 0.50044044804559 0.45957399842684 0.31831040830278 1.008 > 25 27 H 0.00044044804559 0.95957399842684 0.31831040830278 1.008 > 25 28 H 0.50044044804559 0.95957399842684 0.31831040830278 1.008 > 25 29 H 0.49955955195441 0.20957399842684 0.18168959169722 1.008 > 29 30 H 0.99955955195441 0.20957399842684 0.18168959169722 1.008 > 29 31 H 0.49955955195441 0.70957399842684 0.18168959169722 1.008 > 29 32 H 0.99955955195441 0.70957399842684 0.18168959169722 1.008 > 29 33 H 0.44649352480716 0.38354866060599 0.00930910828995 1.008 > 33 34 H 0.94649352480716 0.38354866060599 0.00930910828995 1.008 > 33 35 H 0.44649352480716 0.88354866060599 0.00930910828995 1.008 > 33 36 H 0.94649352480716 0.88354866060599 0.00930910828995 1.008 > 33 37 H 0.05350647519284 0.13354866060599 0.49069089171005 1.008 > 37 38 H 0.55350647519284 0.13354866060599 0.49069089171005 1.008 > 37 39 H 0.05350647519284 0.63354866060599 0.49069089171005 1.008 > 37 40 H 0.55350647519284 0.63354866060599 0.49069089171005 1.008 > 37 41 H 0.05350647519284 0.11645133939401 0.99069089171005 1.008 > 41 42 H 0.55350647519284 0.11645133939401 0.99069089171005 1.008 > 41 43 H 0.05350647519284 0.61645133939401 0.99069089171005 1.008 > 41 44 H 0.55350647519284 0.61645133939401 0.99069089171005 1.008 > 41 45 H 0.44649352480716 0.36645133939401 0.50930910828995 1.008 > 45 46 H 0.94649352480716 0.36645133939401 0.50930910828995 1.008 > 45 47 H 0.44649352480716 0.86645133939401 0.50930910828995 1.008 > 45 48 H 0.94649352480716 0.86645133939401 0.50930910828995 1.008 > 45 49 O 0.42941146437183 0.04727568810808 0.62702280820287 15.999 > 49 50 O 0.92941146437183 0.04727568810808 0.62702280820287 15.999 > 49 51 O 0.42941146437183 0.54727568810808 0.62702280820287 15.999 > 49 52 O 0.92941146437183 0.54727568810808 0.62702280820287 15.999 > 49 53 O 0.21780287211473 0.10377557605883 0.54414434052263 15.999 > 53 54 O 0.71780287211473 0.10377557605883 0.54414434052263 15.999 > 53 55 O 0.21780287211473 0.60377557605883 0.54414434052263 15.999 > 53 56 O 0.71780287211473 0.60377557605883 0.54414434052263 15.999 > 53 57 O 0.28219712788527 0.39622442394117 0.45585565947737 15.999 > 57 58 O 0.78219712788527 0.39622442394117 0.45585565947737 15.999 > 57 59 O 0.28219712788527 0.89622442394117 0.45585565947737 15.999 > 57 60 O 0.78219712788527 0.89622442394117 0.45585565947737 15.999 > 57 61 O 0.21780287211473 0.14622442394117 0.04414434052263 15.999 > 61 62 O 0.71780287211473 0.14622442394117 0.04414434052263 15.999 > 61 63 O 0.21780287211473 0.64622442394117 0.04414434052263 15.999 > 61 64 O 0.71780287211473 0.64622442394117 0.04414434052263 15.999 > 61 65 O 0.16093180337379 0.26201541851381 0.63871464066595 15.999 > 65 66 O 0.66093180337379 0.26201541851381 0.63871464066595 15.999 > 65 67 O 0.16093180337379 0.76201541851381 0.63871464066595 15.999 > 65 68 O 0.66093180337379 0.76201541851381 0.63871464066595 15.999 > 65 69 O 0.33906819662621 0.01201541851381 0.86128535933405 15.999 > 69 70 O 0.83906819662621 0.01201541851381 0.86128535933405 15.999 > 69 71 O 0.33906819662621 0.51201541851381 0.86128535933405 15.999 > 69 72 O 0.83906819662621 0.51201541851381 0.86128535933405 15.999 > 69 73 O 0.33906819662621 0.23798458148619 0.36128535933405 15.999 > 73 74 O 0.83906819662621 0.23798458148619 0.36128535933405 15.999 > 73 75 O 0.33906819662621 0.73798458148619 0.36128535933405 15.999 > 73 76 O 0.83906819662621 0.73798458148619 0.36128535933405 15.999 > 73 77 O 0.16093180337379 0.48798458148619 0.13871464066595 15.999 > 77 78 O 0.66093180337379 0.48798458148619 0.13871464066595 15.999 > 77 79 O 0.16093180337379 0.98798458148619 0.13871464066595 15.999 > 77 80 O 0.66093180337379 0.98798458148619 0.13871464066595 15.999 > 77 81 O 0.11574377480948 0.22151166418321 0.29699811591523 15.999 > 81 82 O 0.61574377480948 0.22151166418321 0.29699811591523 15.999 > 81 83 O 0.11574377480948 0.72151166418321 0.29699811591523 15.999 > 81 84 O 0.61574377480948 0.72151166418321 0.29699811591523 15.999 > 81 85 O 0.38425622519052 0.47151166418321 0.20300188408477 15.999 > 85 86 O 0.88425622519052 0.47151166418321 0.20300188408477 15.999 > 85 87 O 0.38425622519052 0.97151166418321 0.20300188408477 15.999 > 85 88 O 0.88425622519052 0.97151166418321 0.20300188408477 15.999 > 85 89 O 0.38425622519052 0.27848833581679 0.70300188408477 15.999 > 89 90 O 0.88425622519052 0.27848833581679 0.70300188408477 15.999 > 89 91 O 0.38425622519052 0.77848833581679 0.70300188408477 15.999 > 89 92 O 0.88425622519052 0.77848833581679 0.70300188408477 15.999 > 89 93 O 0.11574377480948 0.02848833581679 0.79699811591523 15.999 > 93 94 O 0.61574377480948 0.02848833581679 0.79699811591523 15.999 > 93 95 O 0.11574377480948 0.52848833581679 0.79699811591523 15.999 > 93 96 O 0.61574377480948 0.52848833581679 0.79699811591523 15.999 > 93 97 O 0.07058853562817 0.45272431189192 0.37297719179713 15.999 > 97 98 O 0.57058853562817 0.45272431189192 0.37297719179713 15.999 > 97 99 O 0.07058853562817 0.95272431189192 0.37297719179713 15.999 > 97 100 O 0.57058853562817 0.95272431189192 0.37297719179713 15.999 > 97 101 O 0.42941146437183 0.20272431189192 0.12702280820287 15.999 > 101 102 O 0.92941146437183 0.20272431189192 0.12702280820287 15.999 > 101 103 O 0.42941146437183 0.70272431189192 0.12702280820287 15.999 > 101 104 O 0.92941146437183 0.70272431189192 0.12702280820287 15.999 > 101 105 O 0.28219712788527 0.35377557605883 0.95585565947737 15.999 > 105 106 O 0.78219712788527 0.35377557605883 0.95585565947737 15.999 > 105 107 O 0.28219712788527 0.85377557605883 0.95585565947737 15.999 > 105 108 O 0.78219712788527 0.85377557605883 0.95585565947737 15.999 > 105 109 O 0.07058853562817 0.29727568810808 0.87297719179713 15.999 > 109 110 O 0.57058853562817 0.29727568810808 0.87297719179713 15.999 > 109 111 O 0.07058853562817 0.79727568810808 0.87297719179713 15.999 > 109 112 O 0.57058853562817 0.79727568810808 0.87297719179713 15.999 > 109 113 P 0.13643459926064 0.06895020632384 0.98877960773879 30.974 > 113 114 P 0.63643459926064 0.06895020632384 0.98877960773879 30.974 > 113 115 P 0.13643459926064 0.56895020632384 0.98877960773879 30.974 > 113 116 P 0.63643459926064 0.56895020632384 0.98877960773879 30.974 > 113 117 P 0.36356540073936 0.31895020632384 0.51122039226121 30.974 > 117 118 P 0.86356540073936 0.31895020632384 0.51122039226121 30.974 > 117 119 P 0.36356540073936 0.81895020632384 0.51122039226121 30.974 > 117 120 P 0.86356540073936 0.81895020632384 0.51122039226121 30.974 > 117 121 P 0.36356540073936 0.43104979367616 0.01122039226121 30.974 > 121 122 P 0.86356540073936 0.43104979367616 0.01122039226121 30.974 > 121 123 P 0.36356540073936 0.93104979367616 0.01122039226121 30.974 > 121 124 P 0.86356540073936 0.93104979367616 0.01122039226121 30.974 > 121 125 P 0.13643459926064 0.18104979367616 0.48877960773879 30.974 > 125 126 P 0.63643459926064 0.18104979367616 0.48877960773879 30.974 > 125 127 P 0.13643459926064 0.68104979367616 0.48877960773879 30.974 > 125 128 P 0.63643459926064 0.68104979367616 0.48877960773879 30.974 > 125 129 Ca 0.30559284211718 0.06478825555065 0.35163506136881 40.078 > 129 130 Ca 0.80559284211718 0.06478825555065 0.35163506136881 40.078 > 129 131 Ca 0.30559284211718 0.56478825555065 0.35163506136881 40.078 > 129 132 Ca 0.80559284211718 0.56478825555065 0.35163506136881 40.078 > 129 133 Ca 0.19440715788282 0.31478825555064 0.14836493863119 40.078 > 133 134 Ca 0.69440715788282 0.31478825555064 0.14836493863119 40.078 > 133 135 Ca 0.19440715788282 0.81478825555064 0.14836493863119 40.078 > 133 136 Ca 0.69440715788282 0.81478825555064 0.14836493863119 40.078 > 133 137 Ca 0.19440715788282 0.43521174444936 0.64836493863119 40.078 > 137 138 Ca 0.69440715788282 0.43521174444936 0.64836493863119 40.078 > 137 139 Ca 0.19440715788282 0.93521174444936 0.64836493863119 40.078 > 137 140 Ca 0.69440715788282 0.93521174444936 0.64836493863119 40.078 > 137 141 Ca 0.30559284211718 0.18521174444936 0.85163506136881 40.078 > 141 142 Ca 0.80559284211718 0.18521174444936 0.85163506136881 40.078 > 141 143 Ca 0.30559284211718 0.68521174444936 0.85163506136881 40.078 > 141 144 Ca 0.80559284211718 0.68521174444936 0.85163506136881 40.078 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7032663 0.0000000 0.0004519 0.0000000 2.6892508 0.0000000 0.0004521 0.0000000 2.8247944 -------------------------- Born effective charges -------------------------- 1 H 0.8543491 0.1486439 -0.4592847 0.1977047 0.3836265 -0.1187067 -0.5228444 -0.0830687 0.6679545 2 H 0.8543491 -0.1486439 -0.4592847 -0.1977047 0.3836265 0.1187067 -0.5228444 0.0830687 0.6679545 3 H 0.8543491 0.1486439 -0.4592847 0.1977047 0.3836265 -0.1187067 -0.5228444 -0.0830687 0.6679545 4 H 0.8543491 -0.1486439 -0.4592847 -0.1977047 0.3836265 0.1187067 -0.5228444 0.0830687 0.6679545 5 H 1.1946382 0.0180403 0.4237826 0.0508750 0.3296437 0.0297149 0.5933630 -0.0090809 0.5624617 6 H 1.1946382 -0.0180403 0.4237826 -0.0508750 0.3296437 -0.0297149 0.5933630 0.0090809 0.5624617 7 H 1.1946382 0.0180403 0.4237826 0.0508750 0.3296437 0.0297149 0.5933630 -0.0090809 0.5624617 8 H 1.1946382 -0.0180403 0.4237826 -0.0508750 0.3296437 -0.0297149 0.5933630 0.0090809 0.5624617 9 H -0.2414174 0.0222901 -0.0135479 0.0095770 -0.1600029 0.0115021 -0.0156488 0.0112371 -0.1708312 10 H -0.2414174 -0.0222901 -0.0135479 -0.0095770 -0.1600029 -0.0115021 -0.0156488 -0.0112371 -0.1708312 11 H -0.2414174 0.0222901 -0.0135479 0.0095770 -0.1600029 0.0115021 -0.0156488 0.0112371 -0.1708312 12 H -0.2414174 -0.0222901 -0.0135479 -0.0095770 -0.1600029 -0.0115021 -0.0156488 -0.0112371 -0.1708312 13 O -1.6324453 -0.1187637 -0.0958343 -0.1103749 -0.9655321 0.0411765 -0.2208081 0.0419624 -1.3308843 14 O -1.6566995 0.4819514 -0.0641586 0.5691266 -1.8418005 0.1622755 -0.0348517 0.0932678 -1.4958711 15 O -1.6566995 0.4819514 -0.0641586 0.5691266 -1.8418005 0.1622755 -0.0348517 0.0932678 -1.4958711 16 O -1.6566995 -0.4819514 -0.0641586 -0.5691266 -1.8418005 -0.1622755 -0.0348517 -0.0932678 -1.4958711 17 O -1.2906710 0.1011860 0.1526476 0.0366277 -1.9157868 -0.5885626 0.0728546 -0.5854388 -1.8756463 18 O -1.2906710 -0.1011860 0.1526476 -0.0366277 -1.9157868 0.5885626 0.0728546 0.5854388 -1.8756463 19 O -1.2906710 0.1011860 0.1526476 0.0366277 -1.9157868 -0.5885626 0.0728546 -0.5854388 -1.8756463 20 O -1.2906710 -0.1011860 0.1526476 -0.0366277 -1.9157868 0.5885626 0.0728546 0.5854388 -1.8756463 21 O -1.4925585 -0.1799840 0.0378783 -0.1891478 -1.2573028 0.4052384 0.1618469 0.4648061 -2.2572344 22 O -1.4925585 0.1799840 0.0378783 0.1891478 -1.2573028 -0.4052384 0.1618469 -0.4648061 -2.2572344 23 O -1.4925585 -0.1799840 0.0378783 -0.1891478 -1.2573028 0.4052384 0.1618469 0.4648061 -2.2572344 24 O -1.4925585 0.1799840 0.0378783 0.1891478 -1.2573028 -0.4052384 0.1618469 -0.4648061 -2.2572344 25 O -1.6324453 -0.1187637 -0.0958343 -0.1103749 -0.9655321 0.0411765 -0.2208081 0.0419624 -1.3308843 26 O -1.6324453 0.1187637 -0.0958343 0.1103749 -0.9655321 -0.0411765 -0.2208081 -0.0419624 -1.3308843 27 O -1.6566995 -0.4819514 -0.0641586 -0.5691266 -1.8418005 -0.1622755 -0.0348517 -0.0932678 -1.4958711 28 O -1.6324453 0.1187637 -0.0958343 0.1103749 -0.9655321 -0.0411765 -0.2208081 -0.0419624 -1.3308843 29 P 2.0553397 0.3885325 0.0258537 0.4269007 2.8154213 -0.0129882 0.0179892 -0.0326142 3.3260161 30 P 2.0553397 -0.3885325 0.0258537 -0.4269007 2.8154213 0.0129882 0.0179892 0.0326142 3.3260161 31 P 2.0553397 0.3885325 0.0258537 0.4269007 2.8154213 -0.0129882 0.0179892 -0.0326142 3.3260161 32 P 2.0553397 -0.3885325 0.0258537 -0.4269007 2.8154213 0.0129882 0.0179892 0.0326142 3.3260161 33 Ca 2.2094648 -0.1969980 -0.0073368 -0.1665424 2.6117336 0.0605941 -0.0519007 0.1743525 2.5740349 34 Ca 2.2094648 0.1969980 -0.0073368 0.1665424 2.6117336 -0.0605941 -0.0519007 -0.1743525 2.5740349 35 Ca 2.2094648 -0.1969980 -0.0073368 -0.1665424 2.6117336 0.0605941 -0.0519007 0.1743525 2.5740349 36 Ca 2.2094648 0.1969980 -0.0073368 0.1665424 2.6117336 -0.0605941 -0.0519007 -0.1743525 2.5740349 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 53, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000010 (xxx) -0.00000010 (xxx) -0.00000010 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) 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 05:49:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:49:02]------------------------- Compiled with OpenMP support (max 32 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 7.563387420174791 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690050790000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): 1 H 0.80730452414810 0.05305023446199 0.72311473938051 1.008 2 H 0.19269547585190 0.55305023446199 0.77688526061949 1.008 3 H 0.19269547585190 0.94694976553801 0.27688526061949 1.008 4 H 0.80730452414810 0.44694976553801 0.22311473938051 1.008 5 H 0.99911910390882 0.08085200314632 0.68168959169722 1.008 6 H 0.00088089609118 0.58085200314632 0.81831040830278 1.008 7 H 0.00088089609118 0.91914799685368 0.31831040830278 1.008 8 H 0.99911910390882 0.41914799685368 0.18168959169722 1.008 9 H 0.89298704961432 0.76709732121199 0.00930910828995 1.008 10 H 0.10701295038568 0.26709732121199 0.49069089171005 1.008 11 H 0.10701295038568 0.23290267878801 0.99069089171005 1.008 12 H 0.89298704961432 0.73290267878801 0.50930910828995 1.008 13 O 0.85882292874366 0.09455137621616 0.62702280820287 15.999 14 O 0.43560574422947 0.20755115211765 0.54414434052263 15.999 15 O 0.56439425577053 0.79244884788235 0.45585565947737 15.999 16 O 0.43560574422947 0.29244884788235 0.04414434052263 15.999 17 O 0.32186360674759 0.52403083702762 0.63871464066595 15.999 18 O 0.67813639325242 0.02403083702762 0.86128535933405 15.999 19 O 0.67813639325242 0.47596916297238 0.36128535933405 15.999 20 O 0.32186360674759 0.97596916297238 0.13871464066595 15.999 21 O 0.23148754961896 0.44302332836642 0.29699811591523 15.999 22 O 0.76851245038104 0.94302332836642 0.20300188408477 15.999 23 O 0.76851245038104 0.55697667163358 0.70300188408477 15.999 24 O 0.23148754961896 0.05697667163358 0.79699811591523 15.999 25 O 0.14117707125634 0.90544862378384 0.37297719179713 15.999 26 O 0.85882292874366 0.40544862378384 0.12702280820287 15.999 27 O 0.56439425577053 0.70755115211765 0.95585565947737 15.999 28 O 0.14117707125634 0.59455137621616 0.87297719179713 15.999 29 P 0.27286919852127 0.13790041264768 0.98877960773879 30.974 30 P 0.72713080147873 0.63790041264768 0.51122039226121 30.974 31 P 0.72713080147873 0.86209958735232 0.01122039226121 30.974 32 P 0.27286919852127 0.36209958735232 0.48877960773879 30.974 33 Ca 0.61118568423436 0.12957651110129 0.35163506136881 40.078 34 Ca 0.38881431576564 0.62957651110129 0.14836493863119 40.078 35 Ca 0.38881431576564 0.87042348889871 0.64836493863119 40.078 36 Ca 0.61118568423436 0.37042348889871 0.85163506136881 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.126774840349581 0.000000000000000 0.000000000000000 b 0.000000000000000 13.380101580000000 0.000000000000000 c -2.698635717893559 0.000000000000000 7.371850913384606 Atomic positions (fractional): 1 H 0.40365226207405 0.02652511723100 0.72311473938051 1.008 > 1 2 H 0.90365226207405 0.02652511723100 0.72311473938051 1.008 > 1 3 H 0.40365226207405 0.52652511723100 0.72311473938051 1.008 > 1 4 H 0.90365226207405 0.52652511723100 0.72311473938051 1.008 > 1 5 H 0.09634773792595 0.27652511723100 0.77688526061949 1.008 > 5 6 H 0.59634773792595 0.27652511723100 0.77688526061949 1.008 > 5 7 H 0.09634773792595 0.77652511723100 0.77688526061949 1.008 > 5 8 H 0.59634773792595 0.77652511723100 0.77688526061949 1.008 > 5 9 H 0.09634773792595 0.47347488276900 0.27688526061949 1.008 > 9 10 H 0.59634773792595 0.47347488276900 0.27688526061949 1.008 > 9 11 H 0.09634773792595 0.97347488276900 0.27688526061949 1.008 > 9 12 H 0.59634773792595 0.97347488276900 0.27688526061949 1.008 > 9 13 H 0.40365226207405 0.22347488276900 0.22311473938051 1.008 > 13 14 H 0.90365226207405 0.22347488276900 0.22311473938051 1.008 > 13 15 H 0.40365226207405 0.72347488276900 0.22311473938051 1.008 > 13 16 H 0.90365226207405 0.72347488276900 0.22311473938051 1.008 > 13 17 H 0.49955955195441 0.04042600157316 0.68168959169722 1.008 > 17 18 H 0.99955955195441 0.04042600157316 0.68168959169722 1.008 > 17 19 H 0.49955955195441 0.54042600157316 0.68168959169722 1.008 > 17 20 H 0.99955955195441 0.54042600157316 0.68168959169722 1.008 > 17 21 H 0.00044044804559 0.29042600157316 0.81831040830278 1.008 > 21 22 H 0.50044044804559 0.29042600157316 0.81831040830278 1.008 > 21 23 H 0.00044044804559 0.79042600157316 0.81831040830278 1.008 > 21 24 H 0.50044044804559 0.79042600157316 0.81831040830278 1.008 > 21 25 H 0.00044044804559 0.45957399842684 0.31831040830278 1.008 > 25 26 H 0.50044044804559 0.45957399842684 0.31831040830278 1.008 > 25 27 H 0.00044044804559 0.95957399842684 0.31831040830278 1.008 > 25 28 H 0.50044044804559 0.95957399842684 0.31831040830278 1.008 > 25 29 H 0.49955955195441 0.20957399842684 0.18168959169722 1.008 > 29 30 H 0.99955955195441 0.20957399842684 0.18168959169722 1.008 > 29 31 H 0.49955955195441 0.70957399842684 0.18168959169722 1.008 > 29 32 H 0.99955955195441 0.70957399842684 0.18168959169722 1.008 > 29 33 H 0.44649352480716 0.38354866060599 0.00930910828995 1.008 > 33 34 H 0.94649352480716 0.38354866060599 0.00930910828995 1.008 > 33 35 H 0.44649352480716 0.88354866060599 0.00930910828995 1.008 > 33 36 H 0.94649352480716 0.88354866060599 0.00930910828995 1.008 > 33 37 H 0.05350647519284 0.13354866060599 0.49069089171005 1.008 > 37 38 H 0.55350647519284 0.13354866060599 0.49069089171005 1.008 > 37 39 H 0.05350647519284 0.63354866060599 0.49069089171005 1.008 > 37 40 H 0.55350647519284 0.63354866060599 0.49069089171005 1.008 > 37 41 H 0.05350647519284 0.11645133939401 0.99069089171005 1.008 > 41 42 H 0.55350647519284 0.11645133939401 0.99069089171005 1.008 > 41 43 H 0.05350647519284 0.61645133939401 0.99069089171005 1.008 > 41 44 H 0.55350647519284 0.61645133939401 0.99069089171005 1.008 > 41 45 H 0.44649352480716 0.36645133939401 0.50930910828995 1.008 > 45 46 H 0.94649352480716 0.36645133939401 0.50930910828995 1.008 > 45 47 H 0.44649352480716 0.86645133939401 0.50930910828995 1.008 > 45 48 H 0.94649352480716 0.86645133939401 0.50930910828995 1.008 > 45 49 O 0.42941146437183 0.04727568810808 0.62702280820287 15.999 > 49 50 O 0.92941146437183 0.04727568810808 0.62702280820287 15.999 > 49 51 O 0.42941146437183 0.54727568810808 0.62702280820287 15.999 > 49 52 O 0.92941146437183 0.54727568810808 0.62702280820287 15.999 > 49 53 O 0.21780287211473 0.10377557605883 0.54414434052263 15.999 > 53 54 O 0.71780287211473 0.10377557605883 0.54414434052263 15.999 > 53 55 O 0.21780287211473 0.60377557605883 0.54414434052263 15.999 > 53 56 O 0.71780287211473 0.60377557605883 0.54414434052263 15.999 > 53 57 O 0.28219712788527 0.39622442394117 0.45585565947737 15.999 > 57 58 O 0.78219712788527 0.39622442394117 0.45585565947737 15.999 > 57 59 O 0.28219712788527 0.89622442394117 0.45585565947737 15.999 > 57 60 O 0.78219712788527 0.89622442394117 0.45585565947737 15.999 > 57 61 O 0.21780287211473 0.14622442394117 0.04414434052263 15.999 > 61 62 O 0.71780287211473 0.14622442394117 0.04414434052263 15.999 > 61 63 O 0.21780287211473 0.64622442394117 0.04414434052263 15.999 > 61 64 O 0.71780287211473 0.64622442394117 0.04414434052263 15.999 > 61 65 O 0.16093180337379 0.26201541851381 0.63871464066595 15.999 > 65 66 O 0.66093180337379 0.26201541851381 0.63871464066595 15.999 > 65 67 O 0.16093180337379 0.76201541851381 0.63871464066595 15.999 > 65 68 O 0.66093180337379 0.76201541851381 0.63871464066595 15.999 > 65 69 O 0.33906819662621 0.01201541851381 0.86128535933405 15.999 > 69 70 O 0.83906819662621 0.01201541851381 0.86128535933405 15.999 > 69 71 O 0.33906819662621 0.51201541851381 0.86128535933405 15.999 > 69 72 O 0.83906819662621 0.51201541851381 0.86128535933405 15.999 > 69 73 O 0.33906819662621 0.23798458148619 0.36128535933405 15.999 > 73 74 O 0.83906819662621 0.23798458148619 0.36128535933405 15.999 > 73 75 O 0.33906819662621 0.73798458148619 0.36128535933405 15.999 > 73 76 O 0.83906819662621 0.73798458148619 0.36128535933405 15.999 > 73 77 O 0.16093180337379 0.48798458148619 0.13871464066595 15.999 > 77 78 O 0.66093180337379 0.48798458148619 0.13871464066595 15.999 > 77 79 O 0.16093180337379 0.98798458148619 0.13871464066595 15.999 > 77 80 O 0.66093180337379 0.98798458148619 0.13871464066595 15.999 > 77 81 O 0.11574377480948 0.22151166418321 0.29699811591523 15.999 > 81 82 O 0.61574377480948 0.22151166418321 0.29699811591523 15.999 > 81 83 O 0.11574377480948 0.72151166418321 0.29699811591523 15.999 > 81 84 O 0.61574377480948 0.72151166418321 0.29699811591523 15.999 > 81 85 O 0.38425622519052 0.47151166418321 0.20300188408477 15.999 > 85 86 O 0.88425622519052 0.47151166418321 0.20300188408477 15.999 > 85 87 O 0.38425622519052 0.97151166418321 0.20300188408477 15.999 > 85 88 O 0.88425622519052 0.97151166418321 0.20300188408477 15.999 > 85 89 O 0.38425622519052 0.27848833581679 0.70300188408477 15.999 > 89 90 O 0.88425622519052 0.27848833581679 0.70300188408477 15.999 > 89 91 O 0.38425622519052 0.77848833581679 0.70300188408477 15.999 > 89 92 O 0.88425622519052 0.77848833581679 0.70300188408477 15.999 > 89 93 O 0.11574377480948 0.02848833581679 0.79699811591523 15.999 > 93 94 O 0.61574377480948 0.02848833581679 0.79699811591523 15.999 > 93 95 O 0.11574377480948 0.52848833581679 0.79699811591523 15.999 > 93 96 O 0.61574377480948 0.52848833581679 0.79699811591523 15.999 > 93 97 O 0.07058853562817 0.45272431189192 0.37297719179713 15.999 > 97 98 O 0.57058853562817 0.45272431189192 0.37297719179713 15.999 > 97 99 O 0.07058853562817 0.95272431189192 0.37297719179713 15.999 > 97 100 O 0.57058853562817 0.95272431189192 0.37297719179713 15.999 > 97 101 O 0.42941146437183 0.20272431189192 0.12702280820287 15.999 > 101 102 O 0.92941146437183 0.20272431189192 0.12702280820287 15.999 > 101 103 O 0.42941146437183 0.70272431189192 0.12702280820287 15.999 > 101 104 O 0.92941146437183 0.70272431189192 0.12702280820287 15.999 > 101 105 O 0.28219712788527 0.35377557605883 0.95585565947737 15.999 > 105 106 O 0.78219712788527 0.35377557605883 0.95585565947737 15.999 > 105 107 O 0.28219712788527 0.85377557605883 0.95585565947737 15.999 > 105 108 O 0.78219712788527 0.85377557605883 0.95585565947737 15.999 > 105 109 O 0.07058853562817 0.29727568810808 0.87297719179713 15.999 > 109 110 O 0.57058853562817 0.29727568810808 0.87297719179713 15.999 > 109 111 O 0.07058853562817 0.79727568810808 0.87297719179713 15.999 > 109 112 O 0.57058853562817 0.79727568810808 0.87297719179713 15.999 > 109 113 P 0.13643459926064 0.06895020632384 0.98877960773879 30.974 > 113 114 P 0.63643459926064 0.06895020632384 0.98877960773879 30.974 > 113 115 P 0.13643459926064 0.56895020632384 0.98877960773879 30.974 > 113 116 P 0.63643459926064 0.56895020632384 0.98877960773879 30.974 > 113 117 P 0.36356540073936 0.31895020632384 0.51122039226121 30.974 > 117 118 P 0.86356540073936 0.31895020632384 0.51122039226121 30.974 > 117 119 P 0.36356540073936 0.81895020632384 0.51122039226121 30.974 > 117 120 P 0.86356540073936 0.81895020632384 0.51122039226121 30.974 > 117 121 P 0.36356540073936 0.43104979367616 0.01122039226121 30.974 > 121 122 P 0.86356540073936 0.43104979367616 0.01122039226121 30.974 > 121 123 P 0.36356540073936 0.93104979367616 0.01122039226121 30.974 > 121 124 P 0.86356540073936 0.93104979367616 0.01122039226121 30.974 > 121 125 P 0.13643459926064 0.18104979367616 0.48877960773879 30.974 > 125 126 P 0.63643459926064 0.18104979367616 0.48877960773879 30.974 > 125 127 P 0.13643459926064 0.68104979367616 0.48877960773879 30.974 > 125 128 P 0.63643459926064 0.68104979367616 0.48877960773879 30.974 > 125 129 Ca 0.30559284211718 0.06478825555065 0.35163506136881 40.078 > 129 130 Ca 0.80559284211718 0.06478825555065 0.35163506136881 40.078 > 129 131 Ca 0.30559284211718 0.56478825555065 0.35163506136881 40.078 > 129 132 Ca 0.80559284211718 0.56478825555065 0.35163506136881 40.078 > 129 133 Ca 0.19440715788282 0.31478825555064 0.14836493863119 40.078 > 133 134 Ca 0.69440715788282 0.31478825555064 0.14836493863119 40.078 > 133 135 Ca 0.19440715788282 0.81478825555064 0.14836493863119 40.078 > 133 136 Ca 0.69440715788282 0.81478825555064 0.14836493863119 40.078 > 133 137 Ca 0.19440715788282 0.43521174444936 0.64836493863119 40.078 > 137 138 Ca 0.69440715788282 0.43521174444936 0.64836493863119 40.078 > 137 139 Ca 0.19440715788282 0.93521174444936 0.64836493863119 40.078 > 137 140 Ca 0.69440715788282 0.93521174444936 0.64836493863119 40.078 > 137 141 Ca 0.30559284211718 0.18521174444936 0.85163506136881 40.078 > 141 142 Ca 0.80559284211718 0.18521174444936 0.85163506136881 40.078 > 141 143 Ca 0.30559284211718 0.68521174444936 0.85163506136881 40.078 > 141 144 Ca 0.80559284211718 0.68521174444936 0.85163506136881 40.078 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7032663 0.0000000 0.0004519 0.0000000 2.6892508 0.0000000 0.0004521 0.0000000 2.8247944 -------------------------- Born effective charges -------------------------- 1 H 0.8543491 0.1486439 -0.4592847 0.1977047 0.3836265 -0.1187067 -0.5228444 -0.0830687 0.6679545 2 H 0.8543491 -0.1486439 -0.4592847 -0.1977047 0.3836265 0.1187067 -0.5228444 0.0830687 0.6679545 3 H 0.8543491 0.1486439 -0.4592847 0.1977047 0.3836265 -0.1187067 -0.5228444 -0.0830687 0.6679545 4 H 0.8543491 -0.1486439 -0.4592847 -0.1977047 0.3836265 0.1187067 -0.5228444 0.0830687 0.6679545 5 H 1.1946382 0.0180403 0.4237826 0.0508750 0.3296437 0.0297149 0.5933630 -0.0090809 0.5624617 6 H 1.1946382 -0.0180403 0.4237826 -0.0508750 0.3296437 -0.0297149 0.5933630 0.0090809 0.5624617 7 H 1.1946382 0.0180403 0.4237826 0.0508750 0.3296437 0.0297149 0.5933630 -0.0090809 0.5624617 8 H 1.1946382 -0.0180403 0.4237826 -0.0508750 0.3296437 -0.0297149 0.5933630 0.0090809 0.5624617 9 H -0.2414174 0.0222901 -0.0135479 0.0095770 -0.1600029 0.0115021 -0.0156488 0.0112371 -0.1708312 10 H -0.2414174 -0.0222901 -0.0135479 -0.0095770 -0.1600029 -0.0115021 -0.0156488 -0.0112371 -0.1708312 11 H -0.2414174 0.0222901 -0.0135479 0.0095770 -0.1600029 0.0115021 -0.0156488 0.0112371 -0.1708312 12 H -0.2414174 -0.0222901 -0.0135479 -0.0095770 -0.1600029 -0.0115021 -0.0156488 -0.0112371 -0.1708312 13 O -1.6324453 -0.1187637 -0.0958343 -0.1103749 -0.9655321 0.0411765 -0.2208081 0.0419624 -1.3308843 14 O -1.6566995 0.4819514 -0.0641586 0.5691266 -1.8418005 0.1622755 -0.0348517 0.0932678 -1.4958711 15 O -1.6566995 0.4819514 -0.0641586 0.5691266 -1.8418005 0.1622755 -0.0348517 0.0932678 -1.4958711 16 O -1.6566995 -0.4819514 -0.0641586 -0.5691266 -1.8418005 -0.1622755 -0.0348517 -0.0932678 -1.4958711 17 O -1.2906710 0.1011860 0.1526476 0.0366277 -1.9157868 -0.5885626 0.0728546 -0.5854388 -1.8756463 18 O -1.2906710 -0.1011860 0.1526476 -0.0366277 -1.9157868 0.5885626 0.0728546 0.5854388 -1.8756463 19 O -1.2906710 0.1011860 0.1526476 0.0366277 -1.9157868 -0.5885626 0.0728546 -0.5854388 -1.8756463 20 O -1.2906710 -0.1011860 0.1526476 -0.0366277 -1.9157868 0.5885626 0.0728546 0.5854388 -1.8756463 21 O -1.4925585 -0.1799840 0.0378783 -0.1891478 -1.2573028 0.4052384 0.1618469 0.4648061 -2.2572344 22 O -1.4925585 0.1799840 0.0378783 0.1891478 -1.2573028 -0.4052384 0.1618469 -0.4648061 -2.2572344 23 O -1.4925585 -0.1799840 0.0378783 -0.1891478 -1.2573028 0.4052384 0.1618469 0.4648061 -2.2572344 24 O -1.4925585 0.1799840 0.0378783 0.1891478 -1.2573028 -0.4052384 0.1618469 -0.4648061 -2.2572344 25 O -1.6324453 -0.1187637 -0.0958343 -0.1103749 -0.9655321 0.0411765 -0.2208081 0.0419624 -1.3308843 26 O -1.6324453 0.1187637 -0.0958343 0.1103749 -0.9655321 -0.0411765 -0.2208081 -0.0419624 -1.3308843 27 O -1.6566995 -0.4819514 -0.0641586 -0.5691266 -1.8418005 -0.1622755 -0.0348517 -0.0932678 -1.4958711 28 O -1.6324453 0.1187637 -0.0958343 0.1103749 -0.9655321 -0.0411765 -0.2208081 -0.0419624 -1.3308843 29 P 2.0553397 0.3885325 0.0258537 0.4269007 2.8154213 -0.0129882 0.0179892 -0.0326142 3.3260161 30 P 2.0553397 -0.3885325 0.0258537 -0.4269007 2.8154213 0.0129882 0.0179892 0.0326142 3.3260161 31 P 2.0553397 0.3885325 0.0258537 0.4269007 2.8154213 -0.0129882 0.0179892 -0.0326142 3.3260161 32 P 2.0553397 -0.3885325 0.0258537 -0.4269007 2.8154213 0.0129882 0.0179892 0.0326142 3.3260161 33 Ca 2.2094648 -0.1969980 -0.0073368 -0.1665424 2.6117336 0.0605941 -0.0519007 0.1743525 2.5740349 34 Ca 2.2094648 0.1969980 -0.0073368 0.1665424 2.6117336 -0.0605941 -0.0519007 -0.1743525 2.5740349 35 Ca 2.2094648 -0.1969980 -0.0073368 -0.1665424 2.6117336 0.0605941 -0.0519007 0.1743525 2.5740349 36 Ca 2.2094648 0.1969980 -0.0073368 0.1665424 2.6117336 -0.0605941 -0.0519007 -0.1743525 2.5740349 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000010 (xxx) -0.00000010 (xxx) -0.00000010 (xxx) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- 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 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.878 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 10.874 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 13.007 ( 0.000 0.000 0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000 13.278 ( 0.000 0.000 0.000) 0.000 14.043 ( 0.000 0.000 0.000) 0.000 14.253 ( 0.000 0.000 0.000) 0.000 14.646 ( 0.000 0.000 0.000) 0.000 14.880 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 17.290 ( 0.000 0.000 0.000) 0.000 17.312 ( 0.000 0.000 0.000) 0.000 21.092 ( 0.000 0.000 0.000) 0.000 21.177 ( 0.000 0.000 0.000) 0.000 21.560 ( 0.000 0.000 0.000) 0.000 21.811 ( 0.000 0.000 0.000) 0.000 22.675 ( 0.000 0.000 0.000) 0.000 22.819 ( 0.000 0.000 0.000) 0.000 22.935 ( 0.000 0.000 0.000) 0.000 23.002 ( 0.000 0.000 0.000) 0.000 23.146 ( 0.000 0.000 0.000) 0.000 23.902 ( 0.000 0.000 0.000) 0.000 24.372 ( 0.000 0.000 0.000) 0.000 24.754 ( 0.000 0.000 0.000) 0.000 28.280 ( 0.000 0.000 0.000) 0.000 28.299 ( 0.000 0.000 0.000) 0.000 28.311 ( 0.000 0.000 0.000) 0.000 28.401 ( 0.000 0.000 0.000) 0.000 28.574 ( 0.000 0.000 0.000) 0.000 28.602 ( 0.000 0.000 0.000) 0.000 28.627 ( 0.000 0.000 0.000) 0.000 28.764 ( 0.000 0.000 0.000) 0.000 29.598 ( 0.000 0.000 0.000) 0.000 29.791 ( 0.000 0.000 0.000) 0.000 29.827 ( 0.000 0.000 0.000) 0.000 29.846 ( 0.000 0.000 0.000) 0.000 29.902 ( 0.000 0.000 0.000) 0.000 29.982 ( 0.000 0.000 0.000) 0.000 30.600 ( 0.000 0.000 0.000) 0.000 30.784 ( 0.000 0.000 0.000) 0.000 31.824 ( 0.000 0.000 0.000) 0.000 31.922 ( 0.000 0.000 0.000) 0.000 32.477 ( 0.000 0.000 0.000) 0.000 33.041 ( 0.000 0.000 0.000) 0.000 48.295 ( 0.000 0.000 0.000) 0.000 48.418 ( 0.000 0.000 0.000) 0.000 48.426 ( 0.000 0.000 0.000) 0.000 48.724 ( 0.000 0.000 0.000) 0.000 72.842 ( 0.000 0.000 0.000) 0.000 72.848 ( 0.000 0.000 0.000) 0.000 72.916 ( 0.000 0.000 0.000) 0.000 72.919 ( 0.000 0.000 0.000) 0.000 94.676 ( 0.000 0.000 0.000) 0.000 94.887 ( 0.000 0.000 0.000) 0.000 95.001 ( 0.000 0.000 0.000) 0.000 95.513 ( 0.000 0.000 0.000) 0.000 96.566 ( 0.000 0.000 0.000) 0.000 96.612 ( 0.000 0.000 0.000) 0.000 96.918 ( 0.000 0.000 0.000) 0.000 96.950 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 11.743 0.000 5.764) 13.081 0.560 ( 30.960 0.000 -6.868) 31.713 1.108 ( 45.667 0.000 30.562) 54.950 2.674 ( 4.591 0.000 13.660) 14.411 2.883 ( 0.734 0.000 0.726) 1.033 3.150 ( 0.310 0.000 -6.376) 6.384 3.290 ( 4.257 0.000 1.111) 4.400 3.438 ( 7.300 0.000 3.022) 7.900 3.678 ( 2.795 0.000 2.943) 4.059 3.839 ( 1.662 0.000 1.216) 2.060 4.087 ( 5.071 0.000 -1.918) 5.421 4.135 ( 5.572 0.000 8.297) 9.995 4.319 ( -3.476 0.000 5.671) 6.651 4.376 ( -1.919 0.000 2.725) 3.333 4.535 ( 1.639 0.000 5.140) 5.395 4.599 ( -1.308 0.000 3.480) 3.718 4.634 ( -8.553 0.000 14.110) 16.500 4.690 ( -2.262 0.000 -1.294) 2.606 4.811 ( 5.649 0.000 -2.005) 5.995 4.964 ( 11.066 0.000 -12.300) 16.545 5.006 ( 3.124 0.000 -12.141) 12.536 5.012 ( 0.344 0.000 -2.667) 2.690 5.086 ( -3.762 0.000 9.597) 10.308 5.913 ( -3.403 0.000 -1.646) 3.780 6.129 ( -5.085 0.000 -6.675) 8.391 6.264 ( -6.280 0.000 -10.345) 12.102 6.278 ( -3.922 0.000 2.430) 4.614 6.447 ( -0.629 0.000 5.725) 5.759 6.572 ( -15.783 0.000 8.305) 17.834 6.801 ( 2.519 0.000 -0.614) 2.593 6.908 ( 2.498 0.000 0.725) 2.601 6.936 ( 7.365 0.000 -5.516) 9.201 7.089 ( -3.455 0.000 4.066) 5.336 7.385 ( -1.508 0.000 1.299) 1.991 7.544 ( -1.636 0.000 3.253) 3.641 7.590 ( -1.549 0.000 1.772) 2.353 7.786 ( -17.282 0.000 22.274) 28.192 7.968 ( -3.173 0.000 -0.326) 3.189 8.180 ( 0.802 0.000 -0.495) 0.943 8.471 ( 0.020 0.000 0.704) 0.705 8.506 ( 1.475 0.000 -1.686) 2.240 8.799 ( 2.098 0.000 -4.889) 5.320 8.846 ( 4.437 0.000 1.704) 4.752 9.262 ( 3.609 0.000 -19.908) 20.232 10.663 ( -1.683 0.000 1.997) 2.612 10.711 ( -0.381 0.000 -0.090) 0.392 10.941 ( -0.897 0.000 0.133) 0.907 11.046 ( 0.864 0.000 3.545) 3.648 12.705 ( -1.387 0.000 0.283) 1.416 13.004 ( -0.364 0.000 0.296) 0.469 13.109 ( -0.728 0.000 -0.317) 0.794 13.291 ( 1.197 0.000 -0.058) 1.199 14.048 ( -0.105 0.000 1.824) 1.827 14.258 ( -0.681 0.000 2.173) 2.278 14.652 ( -0.153 0.000 1.986) 1.992 14.901 ( 1.980 0.000 0.055) 1.980 16.156 ( 2.410 0.000 -1.458) 2.817 17.010 ( 3.977 0.000 -18.590) 19.010 17.282 ( -0.992 0.000 0.577) 1.148 17.340 ( 3.594 0.000 -2.970) 4.663 21.119 ( 2.539 0.000 0.276) 2.554 21.195 ( 1.825 0.000 -0.052) 1.826 21.573 ( 1.259 0.000 -0.039) 1.260 22.048 ( 7.080 0.000 -18.502) 19.811 22.760 ( 0.639 0.000 -6.998) 7.027 22.827 ( 1.009 0.000 -2.605) 2.793 22.944 ( 1.762 0.000 -2.479) 3.041 23.003 ( -1.091 0.000 3.399) 3.570 23.160 ( 1.455 0.000 -0.364) 1.500 23.895 ( -2.750 0.000 4.185) 5.008 24.374 ( 0.379 0.000 -0.560) 0.676 24.781 ( 2.089 0.000 1.696) 2.691 28.285 ( 0.554 0.000 0.020) 0.555 28.305 ( 0.688 0.000 -0.147) 0.704 28.315 ( 0.296 0.000 0.278) 0.406 28.399 ( -0.235 0.000 -0.065) 0.244 28.547 ( -2.296 0.000 -3.651) 4.313 28.668 ( 1.224 0.000 2.916) 3.162 28.738 ( -0.704 0.000 -4.128) 4.188 28.938 ( 8.038 0.000 -15.905) 17.821 29.601 ( -0.051 0.000 0.920) 0.922 29.789 ( -0.258 0.000 0.208) 0.331 29.823 ( -0.596 0.000 0.344) 0.688 29.908 ( -3.061 0.000 5.175) 6.012 29.911 ( 0.667 0.000 0.612) 0.906 29.991 ( -0.022 0.000 2.084) 2.084 30.784 ( 0.536 0.000 -1.679) 1.762 30.794 ( 8.678 0.000 -28.558) 29.847 31.861 ( 4.613 0.000 -2.445) 5.221 32.378 ( -33.437 0.000 85.136) 91.466 32.463 ( -0.240 0.000 -2.935) 2.944 33.022 ( -3.677 0.000 4.476) 5.793 48.414 ( -0.309 0.000 -0.230) 0.385 48.430 ( -0.990 0.000 3.554) 3.689 48.441 ( -1.709 0.000 5.868) 6.112 48.708 ( -1.445 0.000 -0.502) 1.530 72.848 ( 0.043 0.000 -0.025) 0.050 72.908 ( 0.007 0.000 -1.319) 1.319 72.914 ( -0.159 0.000 -0.049) 0.166 72.923 ( 0.375 0.000 -0.447) 0.584 94.686 ( 1.007 0.000 0.115) 1.014 94.887 ( -0.280 0.000 0.924) 0.966 94.996 ( 0.500 0.000 -2.707) 2.752 96.024 ( -13.431 0.000 32.651) 35.305 96.573 ( 1.087 0.000 -1.000) 1.477 96.908 ( -0.035 0.000 -1.716) 1.716 96.969 ( 0.659 0.000 2.255) 2.349 98.361 ( 19.879 0.000 -53.715) 57.276 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 8.133 0.000 3.987) 9.057 1.046 ( 23.873 0.000 -4.864) 24.363 2.092 ( 37.051 0.000 21.034) 42.605 2.853 ( 3.563 0.000 11.170) 11.725 2.896 ( -0.851 0.000 1.875) 2.059 3.157 ( 4.833 0.000 -0.458) 4.855 3.459 ( 9.204 0.000 8.700) 12.665 3.574 ( 5.311 0.000 0.803) 5.372 3.690 ( -3.484 0.000 1.507) 3.796 3.886 ( 0.274 0.000 0.117) 0.298 4.175 ( 4.837 0.000 -1.552) 5.079 4.265 ( 1.558 0.000 5.701) 5.910 4.358 ( 3.726 0.000 10.632) 11.266 4.444 ( 5.284 0.000 3.031) 6.092 4.543 ( -4.299 0.000 7.911) 9.004 4.630 ( 0.028 0.000 7.744) 7.744 4.653 ( -3.768 0.000 8.061) 8.898 4.692 ( 5.962 0.000 6.087) 8.521 4.875 ( 1.338 0.000 0.312) 1.374 4.952 ( 0.586 0.000 -12.954) 12.967 4.966 ( -0.676 0.000 -3.235) 3.305 5.074 ( 7.292 0.000 -12.968) 14.878 5.153 ( 4.377 0.000 11.699) 12.491 5.767 ( -9.718 0.000 -8.299) 12.780 5.923 ( -8.538 0.000 -7.447) 11.329 6.036 ( -7.823 0.000 -10.737) 13.285 6.235 ( -8.060 0.000 -1.623) 8.222 6.310 ( -11.711 0.000 8.596) 14.527 6.435 ( -3.044 0.000 -0.032) 3.044 6.856 ( 4.455 0.000 -3.552) 5.697 6.971 ( 2.764 0.000 2.258) 3.569 7.023 ( 1.084 0.000 0.255) 1.113 7.055 ( 4.975 0.000 -9.511) 10.734 7.352 ( -3.346 0.000 2.174) 3.991 7.489 ( -11.810 0.000 4.314) 12.573 7.522 ( -3.344 0.000 4.260) 5.415 7.667 ( -1.605 0.000 -0.217) 1.620 7.914 ( -1.599 0.000 -0.368) 1.641 8.198 ( 1.333 0.000 -0.608) 1.465 8.498 ( 1.811 0.000 2.560) 3.136 8.533 ( 1.829 0.000 -0.292) 1.852 8.777 ( 0.070 0.000 -8.244) 8.244 8.904 ( 0.931 0.000 -1.802) 2.029 9.215 ( 2.440 0.000 -7.717) 8.094 10.642 ( -1.883 0.000 2.165) 2.869 10.706 ( 0.152 0.000 -0.440) 0.465 10.919 ( -1.530 0.000 0.766) 1.711 11.089 ( 1.012 0.000 2.897) 3.068 12.677 ( -1.569 0.000 0.262) 1.591 12.999 ( -0.348 0.000 0.420) 0.546 13.089 ( -1.006 0.000 -0.420) 1.090 13.316 ( 1.369 0.000 -0.241) 1.390 14.060 ( -0.262 0.000 2.326) 2.341 14.262 ( 0.370 0.000 -0.212) 0.427 14.665 ( -0.104 0.000 2.299) 2.301 14.945 ( 2.302 0.000 0.177) 2.309 16.199 ( 3.095 0.000 -1.830) 3.596 16.954 ( -0.422 0.000 -6.032) 6.047 17.264 ( -1.309 0.000 0.755) 1.511 17.388 ( 3.190 0.000 -2.573) 4.098 21.179 ( 3.160 0.000 0.341) 3.178 21.236 ( 2.239 0.000 -0.106) 2.241 21.601 ( 1.500 0.000 -0.029) 1.500 22.055 ( 3.104 0.000 -7.561) 8.174 22.732 ( 0.099 0.000 -2.235) 2.237 22.812 ( -0.943 0.000 -1.781) 2.015 22.961 ( 2.194 0.000 -3.749) 4.344 23.011 ( -1.121 0.000 4.826) 4.954 23.189 ( 1.629 0.000 -0.367) 1.670 23.867 ( -2.176 0.000 1.937) 2.913 24.378 ( 0.424 0.000 -0.691) 0.811 24.844 ( 2.769 0.000 2.196) 3.534 28.299 ( 0.780 0.000 0.098) 0.786 28.322 ( 1.187 0.000 -0.246) 1.212 28.325 ( 0.435 0.000 0.386) 0.582 28.390 ( -0.645 0.000 -0.033) 0.646 28.479 ( -2.220 0.000 -3.062) 3.782 28.698 ( -0.662 0.000 -3.081) 3.151 28.703 ( 0.664 0.000 1.988) 2.096 28.978 ( 3.510 0.000 -4.666) 5.839 29.608 ( -0.046 0.000 1.222) 1.223 29.785 ( -0.064 0.000 -0.342) 0.348 29.812 ( -1.070 0.000 1.146) 1.568 29.885 ( -1.452 0.000 0.729) 1.624 29.932 ( 0.853 0.000 0.714) 1.112 30.004 ( 0.014 0.000 1.733) 1.733 30.754 ( 2.007 0.000 -11.347) 11.523 30.781 ( 0.610 0.000 -2.316) 2.395 31.957 ( 8.225 0.000 -5.683) 9.997 32.314 ( -18.171 0.000 37.572) 41.735 32.440 ( 0.512 0.000 -3.650) 3.686 32.969 ( -5.360 0.000 5.713) 7.834 48.405 ( -0.351 0.000 -0.278) 0.448 48.434 ( -1.173 0.000 3.506) 3.697 48.454 ( 0.560 0.000 0.720) 0.912 48.671 ( -1.839 0.000 -0.640) 1.948 72.849 ( 0.070 0.000 -0.026) 0.074 72.899 ( -0.220 0.000 -0.535) 0.578 72.910 ( -0.211 0.000 -0.066) 0.221 72.925 ( 0.142 0.000 -0.156) 0.211 94.710 ( 1.253 0.000 0.144) 1.261 94.891 ( -0.159 0.000 1.207) 1.218 94.983 ( 0.398 0.000 -3.383) 3.406 95.991 ( -6.643 0.000 13.349) 14.910 96.589 ( 1.241 0.000 -1.165) 1.702 96.900 ( 0.289 0.000 -1.312) 1.344 96.996 ( 0.536 0.000 1.929) 2.002 98.366 ( 7.836 0.000 -20.678) 22.113 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 2.916 0.000 1.423) 3.244 1.352 ( 9.584 0.000 -1.736) 9.740 2.654 ( 12.833 0.000 0.402) 12.839 2.877 ( -2.450 0.000 3.466) 4.245 2.943 ( 1.014 0.000 2.968) 3.136 3.382 ( 11.376 0.000 12.302) 16.756 3.614 ( -3.055 0.000 -2.254) 3.796 3.668 ( 3.687 0.000 2.513) 4.462 3.676 ( 6.524 0.000 2.444) 6.967 3.830 ( -5.412 0.000 2.933) 6.156 4.228 ( 1.649 0.000 -0.969) 1.912 4.286 ( -0.499 0.000 0.635) 0.808 4.486 ( 1.745 0.000 -5.185) 5.471 4.488 ( -2.004 0.000 -6.293) 6.604 4.553 ( 2.903 0.000 2.820) 4.047 4.656 ( -1.075 0.000 8.396) 8.464 4.696 ( -1.012 0.000 16.498) 16.529 4.871 ( -0.025 0.000 -9.189) 9.190 4.883 ( 5.318 0.000 7.554) 9.238 4.883 ( -0.652 0.000 1.451) 1.591 4.950 ( 1.397 0.000 -0.106) 1.401 5.092 ( 5.492 0.000 -6.243) 8.315 5.428 ( -14.748 0.000 -15.452) 21.361 5.430 ( 13.742 0.000 14.078) 19.673 5.784 ( -4.117 0.000 -2.244) 4.689 5.890 ( -2.724 0.000 -2.585) 3.755 5.914 ( -14.245 0.000 -7.401) 16.053 6.270 ( -2.447 0.000 2.883) 3.781 6.371 ( -1.834 0.000 -1.081) 2.129 6.909 ( 2.979 0.000 -2.662) 3.995 6.994 ( -1.466 0.000 0.555) 1.568 7.023 ( 0.943 0.000 1.501) 1.773 7.145 ( 8.753 0.000 -9.859) 13.184 7.301 ( -2.557 0.000 1.464) 2.946 7.306 ( -9.568 0.000 5.302) 10.939 7.491 ( -1.685 0.000 1.687) 2.384 7.659 ( 0.192 0.000 -0.451) 0.490 7.903 ( 0.066 0.000 0.128) 0.144 8.215 ( 0.651 0.000 -0.282) 0.710 8.561 ( 0.796 0.000 0.270) 0.840 8.576 ( 3.199 0.000 5.527) 6.386 8.692 ( -2.566 0.000 -8.266) 8.655 8.882 ( -0.404 0.000 -2.475) 2.508 9.230 ( 1.318 0.000 -1.063) 1.693 10.627 ( -0.782 0.000 0.913) 1.202 10.709 ( 0.275 0.000 -0.395) 0.482 10.900 ( -0.822 0.000 0.627) 1.034 11.116 ( 0.360 0.000 1.081) 1.140 12.656 ( -0.659 0.000 0.084) 0.664 12.997 ( -0.095 0.000 0.222) 0.241 13.071 ( -0.506 0.000 -0.214) 0.550 13.334 ( 0.559 0.000 -0.111) 0.569 14.068 ( -0.163 0.000 1.036) 1.048 14.268 ( 0.294 0.000 -0.289) 0.412 14.676 ( -0.025 0.000 0.972) 0.973 14.979 ( 0.976 0.000 0.106) 0.982 16.235 ( 1.415 0.000 -0.820) 1.636 16.919 ( -0.415 0.000 -1.588) 1.641 17.248 ( -0.614 0.000 0.350) 0.707 17.418 ( 1.179 0.000 -0.947) 1.512 21.227 ( 1.404 0.000 0.150) 1.412 21.268 ( 0.985 0.000 -0.061) 0.987 21.622 ( 0.638 0.000 -0.007) 0.638 22.059 ( 0.963 0.000 -2.288) 2.482 22.738 ( 1.314 0.000 -0.181) 1.326 22.773 ( -1.892 0.000 -1.025) 2.152 22.972 ( 0.870 0.000 -1.608) 1.828 23.022 ( -0.330 0.000 2.075) 2.101 23.210 ( 0.684 0.000 -0.145) 0.699 23.846 ( -0.865 0.000 0.626) 1.068 24.380 ( 0.174 0.000 -0.306) 0.352 24.898 ( 1.293 0.000 1.008) 1.640 28.312 ( 0.425 0.000 0.131) 0.444 28.334 ( 0.226 0.000 0.184) 0.292 28.343 ( 1.103 0.000 -0.204) 1.121 28.375 ( -0.871 0.000 0.074) 0.874 28.431 ( -1.023 0.000 -1.304) 1.658 28.674 ( -0.235 0.000 -1.060) 1.086 28.721 ( 0.195 0.000 0.708) 0.735 29.002 ( 1.061 0.000 -1.165) 1.576 29.614 ( -0.015 0.000 0.576) 0.576 29.784 ( 0.217 0.000 -0.527) 0.570 29.800 ( -0.746 0.000 0.889) 1.160 29.868 ( -0.477 0.000 -0.038) 0.478 29.948 ( 0.386 0.000 0.340) 0.515 30.013 ( 0.013 0.000 0.646) 0.646 30.723 ( 0.287 0.000 -3.348) 3.360 30.776 ( 0.244 0.000 -1.116) 1.142 32.081 ( 10.277 0.000 -10.210) 14.486 32.215 ( -12.885 0.000 19.377) 23.270 32.434 ( 0.647 0.000 -1.718) 1.836 32.916 ( -2.786 0.000 2.688) 3.872 48.399 ( -0.140 0.000 -0.120) 0.184 48.435 ( -0.398 0.000 1.175) 1.241 48.466 ( 0.320 0.000 0.174) 0.364 48.640 ( -0.836 0.000 -0.291) 0.885 72.850 ( 0.038 0.000 -0.009) 0.039 72.893 ( -0.105 0.000 -0.162) 0.193 72.907 ( -0.100 0.000 -0.032) 0.105 72.926 ( 0.031 0.000 -0.039) 0.050 94.729 ( 0.556 0.000 0.064) 0.560 94.896 ( 0.002 0.000 0.654) 0.654 94.969 ( 0.092 0.000 -1.605) 1.608 95.966 ( -2.216 0.000 3.986) 4.561 96.601 ( 0.519 0.000 -0.494) 0.716 96.898 ( 0.188 0.000 -0.494) 0.529 97.013 ( 0.196 0.000 0.748) 0.773 98.370 ( 2.288 0.000 -5.929) 6.355 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 20.546 0.000) 20.546 0.618 ( 0.000 29.261 0.000) 29.261 1.372 ( 0.000 61.862 0.000) 61.862 2.565 ( 0.000 0.381 0.000) 0.381 2.900 ( 0.000 -2.557 0.000) 2.557 3.167 ( 0.000 -6.202 0.000) 6.202 3.317 ( 0.000 12.729 0.000) 12.729 3.493 ( 0.000 12.091 0.000) 12.091 3.625 ( 0.000 -3.932 0.000) 3.932 3.847 ( 0.000 1.842 0.000) 1.842 3.878 ( 0.000 -9.226 0.000) 9.226 3.960 ( 0.000 -7.089 0.000) 7.089 4.266 ( 0.000 -12.487 0.000) 12.487 4.371 ( 0.000 -5.062 0.000) 5.062 4.571 ( 0.000 -1.505 0.000) 1.505 4.590 ( 0.000 -8.015 0.000) 8.015 4.689 ( 0.000 1.071 0.000) 1.071 4.774 ( 0.000 -0.815 0.000) 0.815 4.781 ( 0.000 -0.677 0.000) 0.677 5.005 ( 0.000 5.064 0.000) 5.064 5.087 ( 0.000 1.842 0.000) 1.842 5.259 ( 0.000 15.977 0.000) 15.977 5.318 ( 0.000 14.969 0.000) 14.969 6.137 ( 0.000 0.128 0.000) 0.128 6.250 ( 0.000 6.032 0.000) 6.032 6.289 ( 0.000 -5.956 0.000) 5.956 6.339 ( 0.000 -0.883 0.000) 0.883 6.379 ( 0.000 1.515 0.000) 1.515 6.609 ( 0.000 -6.543 0.000) 6.543 6.684 ( 0.000 -3.654 0.000) 3.654 6.704 ( 0.000 -9.085 0.000) 9.085 7.018 ( 0.000 1.926 0.000) 1.926 7.106 ( 0.000 4.965 0.000) 4.965 7.203 ( 0.000 6.228 0.000) 6.228 7.363 ( 0.000 -2.369 0.000) 2.369 7.560 ( 0.000 -2.588 0.000) 2.588 7.997 ( 0.000 -0.596 0.000) 0.596 8.088 ( 0.000 1.103 0.000) 1.103 8.160 ( 0.000 -1.913 0.000) 1.913 8.490 ( 0.000 -1.074 0.000) 1.074 8.558 ( 0.000 -3.912 0.000) 3.912 8.645 ( 0.000 -7.819 0.000) 7.819 8.883 ( 0.000 3.482 0.000) 3.482 9.540 ( 0.000 -4.480 0.000) 4.480 10.684 ( 0.000 0.921 0.000) 0.921 10.717 ( 0.000 0.053 0.000) 0.053 10.866 ( 0.000 -0.672 0.000) 0.672 10.929 ( 0.000 -1.767 0.000) 1.767 12.755 ( 0.000 3.206 0.000) 3.206 13.003 ( 0.000 -0.318 0.000) 0.318 13.196 ( 0.000 -0.436 0.000) 0.436 13.274 ( 0.000 -0.337 0.000) 0.337 14.056 ( 0.000 1.181 0.000) 1.181 14.234 ( 0.000 -1.596 0.000) 1.596 14.671 ( 0.000 2.184 0.000) 2.184 14.883 ( 0.000 0.195 0.000) 0.195 16.111 ( 0.000 0.965 0.000) 0.965 16.339 ( 0.000 -1.757 0.000) 1.757 17.293 ( 0.000 0.288 0.000) 0.288 17.317 ( 0.000 0.419 0.000) 0.419 21.147 ( 0.000 4.803 0.000) 4.803 21.556 ( 0.000 -0.449 0.000) 0.449 21.656 ( 0.000 3.366 0.000) 3.366 21.836 ( 0.000 2.159 0.000) 2.159 22.681 ( 0.000 0.580 0.000) 0.580 22.789 ( 0.000 -2.035 0.000) 2.035 22.986 ( 0.000 2.739 0.000) 2.739 23.013 ( 0.000 0.931 0.000) 0.931 23.490 ( 0.000 -0.244 0.000) 0.244 23.865 ( 0.000 -3.377 0.000) 3.377 24.379 ( 0.000 0.657 0.000) 0.657 24.722 ( 0.000 -2.869 0.000) 2.869 28.278 ( 0.000 -0.125 0.000) 0.125 28.283 ( 0.000 -0.982 0.000) 0.982 28.347 ( 0.000 1.045 0.000) 1.045 28.394 ( 0.000 -0.594 0.000) 0.594 28.572 ( 0.000 -0.248 0.000) 0.248 28.577 ( 0.000 -1.925 0.000) 1.925 28.632 ( 0.000 0.583 0.000) 0.583 28.770 ( 0.000 0.257 0.000) 0.257 29.629 ( 0.000 2.632 0.000) 2.632 29.814 ( 0.000 -1.112 0.000) 1.112 29.856 ( 0.000 0.689 0.000) 0.689 29.890 ( 0.000 -0.644 0.000) 0.644 29.972 ( 0.000 -0.936 0.000) 0.936 30.434 ( 0.000 -9.894 0.000) 9.894 30.966 ( 0.000 11.493 0.000) 11.493 31.818 ( 0.000 -0.718 0.000) 0.718 31.960 ( 0.000 3.163 0.000) 3.163 32.013 ( 0.000 -0.399 0.000) 0.399 32.483 ( 0.000 0.737 0.000) 0.737 33.110 ( 0.000 -4.201 0.000) 4.201 48.296 ( 0.000 0.126 0.000) 0.126 48.389 ( 0.000 -1.708 0.000) 1.708 48.472 ( 0.000 2.143 0.000) 2.143 48.712 ( 0.000 -1.158 0.000) 1.158 72.841 ( 0.000 -0.022 0.000) 0.022 72.860 ( 0.000 -0.195 0.000) 0.195 72.914 ( 0.000 -0.198 0.000) 0.198 72.916 ( 0.000 -0.232 0.000) 0.232 94.694 ( 0.000 1.700 0.000) 1.700 94.909 ( 0.000 2.046 0.000) 2.046 94.987 ( 0.000 -1.292 0.000) 1.292 95.474 ( 0.000 -3.578 0.000) 3.578 96.576 ( 0.000 0.932 0.000) 0.932 96.623 ( 0.000 1.058 0.000) 1.058 96.896 ( 0.000 -1.981 0.000) 1.981 97.018 ( 0.000 -2.312 0.000) 2.312 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 22.560 19.384 -4.455) 30.076 1.078 ( 29.904 16.843 19.426) 39.437 1.478 ( 12.636 51.192 9.431) 53.565 2.671 ( 5.284 0.285 13.301) 14.315 2.942 ( 3.002 1.882 0.743) 3.620 3.221 ( 4.688 -2.517 -0.591) 5.353 3.328 ( 3.377 9.325 -2.371) 10.197 3.493 ( 1.979 6.878 -1.269) 7.269 3.684 ( 2.474 -3.601 6.288) 7.656 3.821 ( -0.951 -1.988 -2.700) 3.485 3.939 ( 3.995 -6.126 3.864) 8.271 4.056 ( 4.987 -7.316 8.764) 12.458 4.216 ( -4.612 -7.026 3.035) 8.936 4.389 ( 3.621 -6.893 0.019) 7.786 4.487 ( -7.036 -0.026 5.638) 9.016 4.573 ( -10.012 -4.132 11.545) 15.830 4.677 ( 1.515 -3.433 0.758) 3.829 4.688 ( -1.329 1.380 -2.444) 3.105 4.868 ( -0.860 11.064 -6.085) 12.656 4.939 ( 9.057 1.523 -5.444) 10.677 5.069 ( -1.352 1.934 -1.347) 2.717 5.251 ( 3.378 14.573 -11.943) 19.142 5.311 ( -3.386 14.698 8.652) 17.388 5.980 ( -4.806 3.256 -5.077) 7.712 6.175 ( -6.557 0.425 -10.508) 12.393 6.206 ( -5.208 -0.695 -6.292) 8.198 6.307 ( -2.311 3.550 0.853) 4.321 6.437 ( 1.020 -1.803 0.591) 2.154 6.478 ( -13.211 -5.868 8.036) 16.539 6.791 ( 4.017 -3.346 2.241) 5.688 6.796 ( 6.958 -6.243 -1.969) 9.553 7.014 ( 2.172 0.942 -4.599) 5.173 7.115 ( -3.031 3.168 6.729) 8.031 7.279 ( 4.585 -4.288 0.913) 6.344 7.358 ( -1.085 -2.259 1.635) 2.992 7.556 ( -0.333 -3.155 -0.362) 3.193 7.943 ( -5.388 -0.471 1.112) 5.522 7.987 ( -11.151 2.965 5.920) 12.968 8.176 ( 0.989 -0.290 0.421) 1.113 8.486 ( 0.893 -0.584 0.786) 1.326 8.596 ( -1.890 3.893 -1.218) 4.495 8.701 ( 4.381 -6.382 2.685) 8.194 8.865 ( 3.873 0.181 -5.206) 6.491 9.331 ( -8.380 1.875 -10.942) 13.909 10.664 ( -1.757 0.268 0.814) 1.955 10.716 ( -0.385 0.321 0.003) 0.501 10.914 ( -0.042 -2.461 0.910) 2.624 10.958 ( 4.153 -3.981 0.174) 5.756 12.740 ( -1.526 3.076 0.216) 3.441 13.008 ( -0.072 -0.034 0.661) 0.666 13.146 ( -2.915 1.707 -0.239) 3.387 13.288 ( 1.320 -0.291 -0.075) 1.353 14.058 ( -0.310 0.990 1.739) 2.025 14.238 ( 0.053 -1.591 0.840) 1.800 14.678 ( -0.005 2.230 1.671) 2.787 14.904 ( 1.948 0.185 0.127) 1.961 16.150 ( 2.627 -0.174 -0.618) 2.704 16.603 ( 15.450 -17.451 -2.938) 23.492 17.294 ( -0.089 0.459 0.486) 0.675 17.340 ( 2.709 0.231 -1.372) 3.046 21.142 ( -0.158 4.177 0.434) 4.202 21.497 ( -5.761 13.713 1.153) 14.919 21.566 ( 1.383 -0.408 -1.298) 1.940 21.985 ( 9.237 -2.551 -8.723) 12.958 22.711 ( 2.169 -1.220 -1.040) 2.697 22.793 ( 0.677 -1.862 -0.816) 2.142 22.989 ( 0.290 2.360 0.089) 2.379 23.017 ( 0.052 1.432 0.744) 1.615 23.338 ( -6.839 6.966 -6.281) 11.608 23.853 ( -1.858 -3.584 1.831) 4.433 24.380 ( 0.304 0.638 -0.438) 0.832 24.750 ( 2.026 -2.925 1.723) 3.954 28.275 ( 0.384 -0.891 -0.461) 1.074 28.286 ( 0.370 -0.239 0.209) 0.488 28.346 ( -0.078 1.079 -0.025) 1.082 28.393 ( -0.177 -0.498 -0.036) 0.530 28.536 ( -2.045 -0.958 -2.874) 3.655 28.633 ( 2.831 -3.236 -0.303) 4.310 28.685 ( 4.633 -3.285 -1.712) 5.932 28.769 ( -0.395 -0.919 2.945) 3.110 29.633 ( 0.173 2.769 0.618) 2.842 29.808 ( -0.537 -0.910 -0.067) 1.059 29.845 ( -0.606 0.853 -1.049) 1.481 29.897 ( 0.412 -0.650 0.685) 1.030 29.956 ( -1.320 -0.659 -0.810) 1.683 30.407 ( -4.217 -4.275 3.238) 6.822 30.803 ( -15.778 22.192 -12.315) 29.884 31.166 ( -3.295 20.396 -43.040) 47.742 31.868 ( 4.713 0.647 -2.264) 5.268 32.284 ( -11.058 -4.942 37.454) 39.363 32.528 ( -7.472 2.723 21.773) 23.180 33.016 ( -7.038 -1.720 5.068) 8.841 48.354 ( 1.474 -2.743 3.067) 4.371 48.398 ( 0.054 -1.749 2.493) 3.046 48.474 ( 0.252 2.083 0.067) 2.099 48.697 ( -1.305 -1.013 -0.450) 1.712 72.845 ( 0.175 -0.177 0.009) 0.249 72.883 ( 1.293 -1.279 -0.449) 1.873 72.911 ( -0.247 -0.262 -0.029) 0.361 72.917 ( 0.110 -0.247 0.031) 0.272 94.701 ( 0.678 1.373 0.005) 1.532 94.911 ( -0.470 2.130 1.969) 2.939 94.983 ( 0.811 -1.115 -3.418) 3.685 95.869 ( 1.136 -13.104 27.253) 30.261 96.575 ( 1.537 0.393 -2.215) 2.725 96.869 ( 2.983 -3.883 -2.918) 5.700 96.940 ( 2.835 -2.586 3.467) 5.171 97.375 ( 45.494 -37.871 -15.940) 61.302 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 18.767 17.033 0.371) 25.347 1.404 ( 7.970 48.881 -2.566) 49.593 2.122 ( 30.732 5.862 19.813) 37.032 2.878 ( 3.526 3.528 10.013) 11.186 3.010 ( 4.653 4.828 8.649) 10.943 3.251 ( 1.428 11.042 -4.234) 11.912 3.484 ( 11.019 -4.645 -0.059) 11.958 3.556 ( 3.722 1.166 3.055) 4.954 3.725 ( -1.527 1.447 2.817) 3.515 3.846 ( 3.091 -2.939 2.947) 5.184 3.996 ( -1.939 -8.176 -0.188) 8.405 4.128 ( 0.552 -8.480 5.475) 10.109 4.323 ( 6.378 -7.645 14.629) 17.695 4.425 ( -3.664 -3.871 7.561) 9.251 4.467 ( -0.104 -0.052 3.587) 3.589 4.512 ( 0.902 -6.395 4.080) 7.639 4.634 ( -1.237 -0.714 -0.596) 1.547 4.775 ( 4.664 -3.367 4.085) 7.055 4.887 ( 3.002 8.943 1.675) 9.581 5.025 ( 1.446 2.981 -6.163) 6.997 5.042 ( 2.316 3.843 -1.047) 4.607 5.223 ( 3.122 11.253 -13.411) 17.783 5.333 ( -0.148 12.644 8.818) 15.416 5.851 ( -8.202 6.838 -9.116) 14.040 5.922 ( -7.398 -3.236 -9.587) 12.534 6.012 ( -9.418 1.066 -7.989) 12.396 6.205 ( -11.716 -2.433 -3.555) 12.483 6.313 ( -4.849 1.729 5.940) 7.861 6.421 ( -2.852 -0.869 0.770) 3.079 6.842 ( 2.360 -2.230 -2.481) 4.087 6.910 ( 5.752 -3.716 -1.162) 6.946 7.049 ( 3.258 -0.376 -4.686) 5.720 7.108 ( 0.720 5.382 2.746) 6.085 7.321 ( -0.279 -4.282 0.675) 4.343 7.345 ( -2.792 -3.181 4.446) 6.139 7.544 ( -0.487 -4.306 -0.819) 4.410 7.760 ( -12.544 6.254 2.423) 14.224 7.882 ( -2.419 -2.895 -0.702) 3.837 8.198 ( 1.439 0.309 -0.639) 1.605 8.505 ( -0.343 -0.091 2.478) 2.503 8.564 ( 1.018 3.301 -2.157) 4.073 8.745 ( 1.649 -2.756 -6.306) 7.077 8.930 ( 2.076 0.633 0.344) 2.198 9.184 ( -0.586 -2.607 -6.819) 7.324 10.637 ( -1.915 -0.368 1.768) 2.632 10.713 ( 0.243 0.426 0.328) 0.590 10.899 ( -1.587 -1.636 -0.280) 2.297 11.029 ( 2.487 -4.451 1.474) 5.307 12.709 ( -1.724 2.814 0.153) 3.303 13.006 ( -0.508 0.366 0.726) 0.959 13.104 ( -1.450 1.284 -0.318) 1.963 13.315 ( 1.428 -0.174 -0.153) 1.447 14.066 ( -0.330 0.659 2.160) 2.282 14.246 ( 0.536 -1.343 -0.207) 1.460 14.692 ( 0.075 2.346 1.953) 3.053 14.948 ( 2.268 0.161 0.254) 2.288 16.199 ( 3.141 0.035 -1.378) 3.431 16.741 ( 3.168 -14.598 -2.422) 15.133 17.294 ( -0.297 1.456 0.519) 1.574 17.386 ( 2.987 -0.098 -1.827) 3.502 21.158 ( 1.300 2.190 0.491) 2.594 21.470 ( 0.636 14.215 0.810) 14.253 21.587 ( 1.445 -1.151 -1.069) 2.135 22.050 ( 3.803 -0.216 -5.863) 6.992 22.728 ( 0.784 -0.467 -1.345) 1.625 22.794 ( -0.022 -0.948 -1.323) 1.628 22.998 ( 1.136 1.768 -1.427) 2.541 23.022 ( -0.792 1.834 2.428) 3.144 23.240 ( -1.264 3.918 -1.853) 4.515 23.826 ( -1.949 -3.719 1.240) 4.378 24.383 ( 0.391 0.632 -0.588) 0.948 24.810 ( 2.612 -3.157 2.076) 4.593 28.290 ( 1.108 -0.974 -0.207) 1.489 28.298 ( 0.861 -0.695 0.117) 1.113 28.345 ( 0.067 0.601 -0.049) 0.606 28.385 ( -0.641 -0.391 0.000) 0.750 28.477 ( -1.992 -0.101 -2.485) 3.187 28.663 ( 0.992 -2.245 -0.474) 2.500 28.709 ( 0.297 -0.729 -1.834) 1.996 28.819 ( 2.362 -7.934 2.247) 8.578 29.642 ( 0.258 3.052 0.863) 3.182 29.795 ( -0.716 -0.370 0.012) 0.806 29.825 ( -0.593 0.835 -0.827) 1.316 29.908 ( -0.432 -0.155 -0.021) 0.460 29.920 ( -0.881 -0.358 -0.535) 1.092 30.335 ( -5.195 13.899 5.041) 15.671 30.531 ( -2.104 1.450 -13.539) 13.778 31.028 ( 0.464 10.689 -9.914) 14.587 31.968 ( 8.166 0.839 -4.843) 9.531 32.292 ( -7.963 -2.181 19.006) 20.722 32.490 ( -7.087 3.994 10.428) 13.225 32.938 ( -5.612 -2.845 5.593) 8.419 48.377 ( 0.330 -1.720 0.344) 1.785 48.416 ( -0.394 -1.389 2.888) 3.228 48.482 ( 0.424 1.899 0.159) 1.953 48.663 ( -1.662 -0.686 -0.586) 1.892 72.849 ( 0.215 0.019 0.001) 0.215 72.891 ( 0.112 -0.624 -0.436) 0.769 72.906 ( -0.191 -0.340 -0.035) 0.392 72.919 ( 0.067 -0.440 -0.004) 0.445 94.716 ( 0.767 0.575 -0.063) 0.961 94.920 ( -0.442 2.201 3.016) 3.760 94.971 ( 0.877 -0.599 -4.719) 4.837 95.940 ( -4.354 -5.031 12.663) 14.304 96.592 ( 1.472 0.425 -1.531) 2.166 96.876 ( 0.453 -2.149 -1.083) 2.449 96.985 ( 0.859 -1.038 1.928) 2.352 97.898 ( 20.005 -33.947 -11.605) 41.076 ======================= Grid point 10 (8/100) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 3.059 43.727 6.493) 44.312 1.510 ( 7.626 22.186 -7.558) 24.648 2.620 ( 12.093 -4.467 3.935) 13.479 2.871 ( -3.834 8.962 1.078) 9.807 3.234 ( 1.320 17.589 0.862) 17.659 3.325 ( 9.910 -2.221 11.928) 15.666 3.587 ( -0.329 -3.154 0.606) 3.228 3.652 ( 6.203 -1.326 -2.256) 6.732 3.789 ( 0.185 -2.310 6.621) 7.015 3.880 ( 0.887 4.610 0.453) 4.716 3.925 ( -2.047 -9.749 -0.340) 9.967 4.156 ( -0.239 -11.476 -0.535) 11.491 4.382 ( -3.647 -2.885 -1.333) 4.837 4.459 ( 0.033 -4.976 7.817) 9.266 4.528 ( 1.160 -6.518 -5.194) 8.415 4.613 ( 7.552 -0.795 3.445) 8.338 4.665 ( 0.795 -4.509 10.078) 11.069 4.834 ( -0.882 0.614 6.415) 6.504 4.936 ( 0.235 3.078 -8.820) 9.345 5.008 ( 1.465 2.255 -0.588) 2.753 5.095 ( 0.799 10.103 2.928) 10.549 5.230 ( 6.927 9.411 -1.514) 11.783 5.464 ( 7.744 5.435 9.898) 13.692 5.512 ( -13.474 5.586 -14.980) 20.908 5.757 ( -12.282 -3.489 -6.843) 14.486 5.864 ( 2.074 3.112 -0.869) 3.840 5.972 ( -7.376 3.502 -4.302) 9.229 6.256 ( -4.066 -1.530 2.359) 4.944 6.386 ( -0.458 2.225 -0.625) 2.356 6.865 ( 1.716 -3.530 -2.219) 4.509 6.977 ( 1.834 -1.683 -0.672) 2.578 7.044 ( -1.252 0.254 1.699) 2.125 7.188 ( 6.078 3.508 -4.588) 8.384 7.294 ( -3.893 0.289 3.556) 5.281 7.334 ( 0.600 1.277 0.644) 1.551 7.510 ( -3.445 0.447 0.033) 3.474 7.599 ( -3.604 -3.976 0.233) 5.371 7.859 ( -0.184 -3.859 -0.150) 3.866 8.216 ( 0.684 0.316 -0.432) 0.869 8.523 ( 0.394 -2.194 1.736) 2.825 8.586 ( 1.389 0.945 0.961) 1.936 8.690 ( -1.659 -0.283 -5.767) 6.007 8.948 ( 0.762 4.091 -0.963) 4.271 9.173 ( 0.700 -4.921 -0.862) 5.045 10.621 ( -0.716 -0.358 0.845) 1.164 10.729 ( 0.794 1.579 0.485) 1.832 10.862 ( -1.440 -3.130 -0.534) 3.487 11.069 ( 0.808 -3.938 0.786) 4.096 12.685 ( -0.727 2.601 0.029) 2.701 13.002 ( -0.268 0.242 0.339) 0.495 13.084 ( -0.463 1.285 -0.195) 1.380 13.335 ( 0.576 -0.102 -0.061) 0.588 14.072 ( -0.167 0.505 0.940) 1.080 14.254 ( 0.317 -1.200 -0.214) 1.260 14.704 ( 0.057 2.450 0.829) 2.587 14.982 ( 0.963 0.146 0.137) 0.984 16.239 ( 1.492 0.271 -0.673) 1.659 16.752 ( 0.122 -12.254 -0.742) 12.277 17.292 ( -0.164 2.383 0.223) 2.399 17.418 ( 1.151 -0.101 -0.769) 1.388 21.183 ( 0.788 0.913 0.198) 1.222 21.493 ( 0.739 14.189 0.440) 14.215 21.601 ( 0.606 -1.881 -0.545) 2.050 22.066 ( 1.074 0.704 -1.972) 2.353 22.733 ( 0.464 -0.887 -0.438) 1.093 22.779 ( -0.499 1.225 -0.633) 1.467 23.011 ( 1.711 1.560 -2.963) 3.760 23.020 ( -1.539 1.314 3.409) 3.964 23.228 ( 0.119 1.694 -0.347) 1.733 23.804 ( -0.813 -3.816 0.438) 3.926 24.386 ( 0.168 0.658 -0.266) 0.730 24.861 ( 1.214 -3.440 0.935) 3.766 28.304 ( 0.366 -0.710 0.038) 0.800 28.318 ( 0.893 -1.011 -0.014) 1.349 28.349 ( 0.491 0.100 -0.160) 0.526 28.368 ( -1.075 -0.502 0.096) 1.191 28.436 ( -0.830 0.578 -0.993) 1.417 28.669 ( 0.270 -0.674 -0.741) 1.037 28.704 ( -0.145 -1.526 0.144) 1.539 28.860 ( 0.882 -9.311 0.525) 9.368 29.651 ( 0.130 3.277 0.426) 3.307 29.785 ( -0.290 -0.030 0.021) 0.292 29.815 ( -0.201 0.551 -0.156) 0.607 29.880 ( -0.827 0.577 -0.592) 1.169 29.925 ( 0.240 -0.817 0.228) 0.881 30.302 ( -1.432 20.646 2.586) 20.857 30.455 ( -0.057 -12.029 -4.867) 12.976 30.988 ( -0.050 9.088 -2.770) 9.501 32.091 ( 8.235 0.439 -6.952) 10.786 32.246 ( -8.084 1.617 12.610) 15.065 32.443 ( -1.620 1.609 1.046) 2.512 32.884 ( -2.708 -2.838 2.659) 4.739 48.381 ( 0.093 -1.136 -0.004) 1.140 48.423 ( -0.223 -1.016 1.034) 1.467 48.490 ( 0.222 1.722 0.088) 1.739 48.635 ( -0.751 -0.416 -0.266) 0.899 72.853 ( 0.129 0.249 0.007) 0.281 72.888 ( -0.112 -0.425 -0.151) 0.465 72.904 ( -0.044 -0.249 -0.029) 0.254 72.920 ( 0.006 -0.565 -0.005) 0.565 94.726 ( 0.309 -0.129 -0.048) 0.339 94.935 ( -0.369 1.871 3.505) 3.990 94.953 ( 0.571 0.219 -4.230) 4.274 95.935 ( -1.756 -3.137 3.821) 5.247 96.605 ( 0.595 0.520 -0.570) 0.974 96.877 ( 0.190 -1.933 -0.385) 1.980 97.005 ( 0.318 -0.684 0.685) 1.019 98.066 ( 5.174 -25.089 -3.924) 25.915 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 25.873 0.000) 25.873 1.256 ( 0.000 30.668 0.000) 30.668 2.489 ( 0.000 13.546 0.000) 13.546 2.613 ( 0.000 4.269 0.000) 4.269 2.667 ( 0.000 9.199 0.000) 9.199 3.153 ( 0.000 -1.025 0.000) 1.025 3.250 ( 0.000 -20.199 0.000) 20.199 3.601 ( 0.000 5.062 0.000) 5.062 3.704 ( 0.000 11.165 0.000) 11.165 3.759 ( 0.000 -8.567 0.000) 8.567 3.912 ( 0.000 4.076 0.000) 4.076 4.027 ( 0.000 13.834 0.000) 13.834 4.154 ( 0.000 4.013 0.000) 4.013 4.249 ( 0.000 -3.072 0.000) 3.072 4.504 ( 0.000 2.073 0.000) 2.073 4.513 ( 0.000 -4.322 0.000) 4.322 4.690 ( 0.000 -0.891 0.000) 0.891 4.750 ( 0.000 -1.675 0.000) 1.675 4.813 ( 0.000 3.190 0.000) 3.190 5.017 ( 0.000 -8.730 0.000) 8.730 5.070 ( 0.000 -0.507 0.000) 0.507 5.501 ( 0.000 3.411 0.000) 3.411 5.638 ( 0.000 14.055 0.000) 14.055 6.097 ( 0.000 -9.910 0.000) 9.910 6.127 ( 0.000 -0.721 0.000) 0.721 6.320 ( 0.000 -2.467 0.000) 2.467 6.368 ( 0.000 3.931 0.000) 3.931 6.482 ( 0.000 -0.784 0.000) 0.784 6.486 ( 0.000 -3.197 0.000) 3.197 6.571 ( 0.000 6.435 0.000) 6.435 6.597 ( 0.000 -4.954 0.000) 4.954 7.011 ( 0.000 -1.642 0.000) 1.642 7.165 ( 0.000 1.230 0.000) 1.230 7.327 ( 0.000 -0.121 0.000) 0.121 7.362 ( 0.000 6.426 0.000) 6.426 7.503 ( 0.000 -2.736 0.000) 2.736 7.983 ( 0.000 -0.783 0.000) 0.783 8.079 ( 0.000 -2.969 0.000) 2.969 8.146 ( 0.000 1.657 0.000) 1.657 8.362 ( 0.000 -11.526 0.000) 11.526 8.460 ( 0.000 -1.537 0.000) 1.537 8.542 ( 0.000 -3.251 0.000) 3.251 8.961 ( 0.000 4.091 0.000) 4.091 9.407 ( 0.000 -7.683 0.000) 7.683 10.705 ( 0.000 0.856 0.000) 0.856 10.718 ( 0.000 0.062 0.000) 0.062 10.850 ( 0.000 -0.763 0.000) 0.763 10.885 ( 0.000 -2.086 0.000) 2.086 12.839 ( 0.000 4.167 0.000) 4.167 12.992 ( 0.000 -0.798 0.000) 0.798 13.190 ( 0.000 0.043 0.000) 0.043 13.261 ( 0.000 -0.942 0.000) 0.942 14.088 ( 0.000 1.701 0.000) 1.701 14.195 ( 0.000 -1.842 0.000) 1.842 14.731 ( 0.000 3.171 0.000) 3.171 14.881 ( 0.000 -0.561 0.000) 0.561 16.140 ( 0.000 1.742 0.000) 1.742 16.292 ( 0.000 -2.564 0.000) 2.564 17.302 ( 0.000 0.505 0.000) 0.505 17.325 ( 0.000 0.196 0.000) 0.196 21.275 ( 0.000 6.616 0.000) 6.616 21.538 ( 0.000 -1.285 0.000) 1.285 21.751 ( 0.000 5.138 0.000) 5.138 21.887 ( 0.000 2.067 0.000) 2.067 22.699 ( 0.000 1.057 0.000) 1.057 22.753 ( 0.000 -1.168 0.000) 1.168 23.036 ( 0.000 1.058 0.000) 1.058 23.040 ( 0.000 1.903 0.000) 1.903 23.494 ( 0.000 0.895 0.000) 0.895 23.766 ( 0.000 -5.555 0.000) 5.555 24.403 ( 0.000 1.687 0.000) 1.687 24.640 ( 0.000 -4.598 0.000) 4.598 28.266 ( 0.000 -0.555 0.000) 0.555 28.274 ( 0.000 -0.294 0.000) 0.294 28.364 ( 0.000 0.464 0.000) 0.464 28.379 ( 0.000 -0.744 0.000) 0.744 28.540 ( 0.000 -1.245 0.000) 1.245 28.562 ( 0.000 -0.754 0.000) 0.754 28.654 ( 0.000 1.481 0.000) 1.481 28.764 ( 0.000 -0.897 0.000) 0.897 29.694 ( 0.000 2.934 0.000) 2.934 29.786 ( 0.000 -1.409 0.000) 1.409 29.872 ( 0.000 0.804 0.000) 0.804 29.888 ( 0.000 1.021 0.000) 1.021 29.945 ( 0.000 -1.436 0.000) 1.436 30.236 ( 0.000 -8.476 0.000) 8.476 31.218 ( 0.000 11.827 0.000) 11.827 31.780 ( 0.000 -3.373 0.000) 3.373 32.007 ( 0.000 0.147 0.000) 0.147 32.028 ( 0.000 2.442 0.000) 2.442 32.526 ( 0.000 3.717 0.000) 3.717 32.986 ( 0.000 -7.149 0.000) 7.149 48.301 ( 0.000 0.333 0.000) 0.333 48.356 ( 0.000 -1.412 0.000) 1.412 48.520 ( 0.000 2.379 0.000) 2.379 48.677 ( 0.000 -2.043 0.000) 2.043 72.841 ( 0.000 0.031 0.000) 0.031 72.855 ( 0.000 -0.301 0.000) 0.301 72.909 ( 0.000 -0.247 0.000) 0.247 72.910 ( 0.000 -0.289 0.000) 0.289 94.745 ( 0.000 2.938 0.000) 2.938 94.947 ( 0.000 -2.417 0.000) 2.417 94.975 ( 0.000 4.138 0.000) 4.138 95.368 ( 0.000 -6.145 0.000) 6.145 96.606 ( 0.000 1.863 0.000) 1.863 96.657 ( 0.000 2.055 0.000) 2.055 96.842 ( 0.000 -2.793 0.000) 2.793 96.950 ( 0.000 -3.870 0.000) 3.870 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 23.625 20.361 1.191) 31.211 1.472 ( 19.180 24.161 17.102) 35.272 2.575 ( 5.723 32.719 2.552) 33.313 2.710 ( 5.612 3.605 10.581) 12.508 2.754 ( 9.441 -7.824 0.793) 12.287 3.207 ( 4.777 3.591 0.198) 5.980 3.289 ( 2.678 -23.512 5.592) 24.316 3.626 ( 1.489 9.394 1.408) 9.615 3.703 ( 0.543 4.054 -0.363) 4.106 3.773 ( -1.661 3.968 -1.217) 4.471 3.881 ( 1.086 -4.038 6.207) 7.484 4.063 ( -1.231 4.758 1.484) 5.134 4.142 ( -2.883 4.881 6.146) 8.361 4.280 ( 4.062 -1.528 0.475) 4.366 4.449 ( -7.831 -4.000 8.428) 12.181 4.511 ( -1.210 3.927 3.206) 5.212 4.668 ( -2.318 0.305 1.198) 2.627 4.732 ( 1.715 2.846 -0.519) 3.364 4.915 ( 6.404 -3.065 -6.629) 9.714 4.988 ( 1.400 -4.341 -3.514) 5.758 5.066 ( -0.012 -0.157 -0.124) 0.200 5.495 ( 0.426 4.249 -2.958) 5.195 5.589 ( -3.310 11.352 -3.048) 12.212 5.967 ( -4.754 -3.444 -5.866) 8.299 6.105 ( -3.142 -2.692 -7.186) 8.292 6.279 ( -5.959 2.185 -8.216) 10.382 6.353 ( -1.058 -1.587 -0.057) 1.908 6.369 ( -8.264 -2.830 6.544) 10.915 6.517 ( -0.728 10.711 0.910) 10.774 6.640 ( 8.323 -6.766 2.067) 10.924 6.708 ( 6.939 -3.162 -1.236) 7.725 6.993 ( 0.212 -2.172 -2.181) 3.085 7.142 ( -1.902 -0.045 0.536) 1.977 7.312 ( -2.031 0.804 0.291) 2.203 7.351 ( -0.872 4.381 1.419) 4.687 7.493 ( -1.245 -2.329 -0.236) 2.651 7.903 ( -5.253 -2.597 -0.897) 5.928 7.979 ( -8.266 -4.035 0.197) 9.200 8.189 ( 1.544 1.971 3.622) 4.403 8.473 ( 4.347 -0.170 -1.260) 4.529 8.502 ( 4.882 -8.310 1.942) 9.832 8.645 ( 8.103 -1.569 5.338) 9.829 8.889 ( -3.070 2.645 -7.238) 8.295 9.281 ( -9.300 -5.719 -4.323) 11.743 10.674 ( -2.395 0.563 0.236) 2.472 10.718 ( -0.887 -0.257 0.847) 1.253 10.866 ( 1.600 -1.411 -0.654) 2.231 10.904 ( 2.303 -1.855 -1.723) 3.422 12.822 ( -1.658 4.208 0.188) 4.526 12.999 ( 0.003 -0.888 1.299) 1.574 13.169 ( -1.650 0.915 -0.369) 1.923 13.275 ( 1.296 -1.094 -0.115) 1.701 14.088 ( -0.460 1.737 1.455) 2.312 14.201 ( 0.486 -1.805 0.107) 1.873 14.739 ( 0.396 3.328 1.175) 3.552 14.901 ( 1.798 -0.642 0.307) 1.933 16.160 ( 1.846 1.166 0.231) 2.195 16.372 ( 6.601 -6.641 -0.148) 9.364 17.305 ( 0.381 0.628 0.194) 0.760 17.343 ( 2.076 -0.037 -0.889) 2.259 21.261 ( -1.246 6.355 0.391) 6.488 21.539 ( -0.209 -1.687 0.693) 1.836 21.732 ( -0.172 8.636 0.253) 8.641 21.965 ( 6.858 -0.082 -3.509) 7.704 22.706 ( 0.597 0.394 -0.062) 0.718 22.764 ( 1.325 -0.850 -0.658) 1.706 23.023 ( -1.020 1.167 1.262) 1.998 23.060 ( 1.575 1.804 -0.993) 2.592 23.430 ( -4.619 3.159 -2.645) 6.189 23.751 ( -1.490 -5.718 0.062) 5.910 24.405 ( 0.311 1.807 -0.245) 1.850 24.663 ( 1.820 -4.902 1.316) 5.392 28.263 ( 0.217 -0.316 -0.588) 0.702 28.278 ( 0.317 -0.456 0.009) 0.556 28.358 ( -0.428 0.152 -0.194) 0.493 28.381 ( -0.041 -0.561 0.154) 0.583 28.518 ( -1.383 -0.417 -0.962) 1.735 28.582 ( 1.509 -1.641 0.034) 2.230 28.660 ( 0.337 0.117 0.323) 0.482 28.754 ( -1.387 -1.127 0.863) 1.985 29.701 ( 0.776 3.060 -0.193) 3.163 29.786 ( 0.032 -1.077 -0.011) 1.077 29.861 ( -0.712 0.637 -0.738) 1.208 29.895 ( 0.132 0.961 1.041) 1.423 29.934 ( -0.979 -1.282 -0.341) 1.649 30.229 ( -0.674 -8.366 0.062) 8.394 31.166 ( -6.072 13.138 -0.493) 14.481 31.498 ( -9.799 8.967 -35.703) 38.094 31.896 ( 3.926 2.429 -3.069) 5.543 32.188 ( -1.814 -4.346 14.654) 15.393 32.580 ( -3.871 2.809 18.250) 18.866 32.934 ( -6.331 -5.577 5.254) 9.939 48.323 ( 1.218 -0.504 1.361) 1.894 48.365 ( 0.519 -1.390 1.119) 1.858 48.521 ( 0.115 2.285 -0.006) 2.288 48.666 ( -0.939 -1.821 -0.342) 2.077 72.843 ( 0.225 0.002 0.024) 0.226 72.864 ( 0.821 -0.606 -0.090) 1.025 72.905 ( -0.289 -0.247 -0.018) 0.381 72.911 ( 0.018 -0.314 0.002) 0.315 94.743 ( -0.098 2.494 -0.253) 2.508 94.930 ( -1.756 -1.956 1.381) 2.969 95.001 ( 2.700 4.431 -1.793) 5.490 95.574 ( 10.001 -13.018 13.260) 21.102 96.600 ( 1.323 1.978 -2.572) 3.504 96.770 ( 6.586 -3.772 -1.328) 7.705 96.879 ( 4.193 -2.618 2.802) 5.682 97.000 ( 9.146 -7.063 -4.036) 12.240 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 17.390 21.161 -1.516) 27.432 2.069 ( 24.337 14.756 14.455) 31.921 2.663 ( 1.186 36.848 2.195) 36.933 2.951 ( 8.461 2.933 12.686) 15.529 2.980 ( 13.340 -10.418 1.784) 17.020 3.290 ( 4.477 -1.839 -1.281) 5.006 3.433 ( 5.277 -11.475 8.537) 15.245 3.630 ( -0.002 6.972 -1.519) 7.136 3.716 ( -2.102 6.906 1.092) 7.301 3.797 ( 6.759 1.400 5.182) 8.631 3.931 ( -4.988 -2.005 2.292) 5.844 4.072 ( 3.734 -2.196 4.015) 5.907 4.150 ( -2.900 -1.592 17.302) 17.616 4.378 ( 2.537 -2.126 -1.500) 3.634 4.392 ( -1.680 -3.681 9.376) 10.212 4.485 ( -3.698 4.672 3.826) 7.081 4.650 ( 1.508 3.411 -4.038) 5.497 4.796 ( 3.636 3.830 3.040) 6.093 4.919 ( 0.253 -7.181 -1.054) 7.262 5.034 ( 3.585 -2.544 -9.174) 10.173 5.097 ( 2.682 1.351 3.228) 4.409 5.471 ( 1.985 11.197 -13.378) 17.558 5.522 ( -2.288 0.889 5.114) 5.672 5.813 ( -8.086 -3.788 -9.796) 13.255 5.979 ( -2.547 2.715 -7.067) 7.987 6.053 ( -10.671 3.789 -7.493) 13.578 6.230 ( -6.239 4.319 -3.448) 8.335 6.301 ( -6.727 -3.992 4.479) 9.013 6.513 ( -0.300 10.251 0.419) 10.264 6.766 ( 2.395 -4.215 -3.219) 5.819 6.818 ( 6.664 -4.332 2.044) 8.207 7.030 ( 2.103 -1.379 0.010) 2.515 7.146 ( 4.574 -3.864 0.334) 5.997 7.264 ( -2.010 0.322 -1.099) 2.314 7.352 ( -1.055 3.775 2.685) 4.752 7.453 ( -2.816 -2.951 0.720) 4.142 7.790 ( -7.952 -4.376 -0.637) 9.099 7.826 ( -5.691 -1.575 -0.857) 5.966 8.225 ( 1.150 2.356 0.189) 2.628 8.482 ( -1.403 -2.593 1.970) 3.546 8.626 ( 6.162 0.792 -6.191) 8.771 8.714 ( -2.972 2.448 0.578) 3.894 8.893 ( 5.458 -3.541 0.350) 6.516 9.104 ( -4.538 -5.318 -3.069) 7.635 10.634 ( -2.058 0.237 1.442) 2.524 10.711 ( -0.430 -0.856 2.074) 2.284 10.869 ( -0.681 -0.708 -2.423) 2.615 10.943 ( 2.777 -3.173 -1.283) 4.407 12.787 ( -1.865 4.269 0.033) 4.659 13.001 ( -0.735 -1.052 1.344) 1.858 13.139 ( -0.982 2.047 -0.475) 2.319 13.301 ( 1.367 -1.336 -0.063) 1.912 14.091 ( -0.432 1.642 1.693) 2.397 14.212 ( 0.667 -1.735 -0.100) 1.862 14.758 ( 0.568 3.686 1.382) 3.977 14.943 ( 2.113 -0.800 0.446) 2.302 16.205 ( 2.794 0.696 -0.496) 2.922 16.471 ( 3.236 -9.880 0.023) 10.396 17.318 ( 0.667 0.956 0.239) 1.190 17.381 ( 2.399 -0.499 -1.124) 2.695 21.248 ( -0.378 5.471 0.472) 5.505 21.541 ( -0.196 -2.583 0.892) 2.739 21.758 ( 2.366 11.339 -0.382) 11.589 22.050 ( 4.367 0.010 -3.307) 5.477 22.714 ( 0.282 -0.405 -0.342) 0.600 22.790 ( 1.776 0.050 -0.809) 1.953 23.015 ( -0.653 0.897 0.707) 1.315 23.080 ( 1.091 2.313 -0.638) 2.635 23.331 ( -3.446 4.593 -1.570) 5.953 23.718 ( -1.877 -6.158 0.077) 6.438 24.410 ( 0.428 2.064 -0.330) 2.134 24.715 ( 2.243 -5.537 1.584) 6.181 28.272 ( 1.132 -0.504 -0.456) 1.321 28.285 ( 0.451 -0.621 -0.137) 0.780 28.349 ( -0.313 -0.072 -0.187) 0.372 28.375 ( -0.678 -0.589 0.058) 0.900 28.484 ( -1.281 0.906 -1.080) 1.904 28.611 ( 1.369 -2.403 0.207) 2.773 28.667 ( 0.464 -2.141 -0.779) 2.325 28.727 ( -2.333 -2.254 1.914) 3.766 29.718 ( 1.060 3.318 -0.362) 3.502 29.786 ( -0.140 -0.398 0.339) 0.541 29.840 ( -0.804 0.562 -0.783) 1.255 29.899 ( -0.621 -0.543 -0.271) 0.868 29.913 ( -0.510 0.221 0.603) 0.820 30.215 ( -0.849 -8.352 0.245) 8.399 30.959 ( -9.445 20.020 -8.726) 23.794 31.227 ( -1.845 7.908 -13.377) 15.649 31.987 ( 7.000 1.020 -2.874) 7.636 32.222 ( -0.888 -4.228 4.888) 6.523 32.578 ( -8.117 3.941 15.103) 17.593 32.855 ( -5.780 -4.599 6.032) 9.536 48.350 ( 0.838 -0.730 0.574) 1.250 48.385 ( 0.374 -1.377 1.678) 2.203 48.525 ( 0.232 2.047 0.030) 2.061 48.642 ( -1.193 -1.302 -0.444) 1.821 72.850 ( 0.464 0.102 0.033) 0.476 72.877 ( 0.534 -0.631 -0.187) 0.848 72.899 ( -0.346 -0.299 -0.021) 0.458 72.910 ( -0.165 -0.435 0.001) 0.465 94.738 ( -0.205 1.526 -0.434) 1.600 94.906 ( -1.178 -2.606 0.057) 2.861 95.041 ( 2.227 6.556 -0.496) 6.942 95.764 ( 1.637 -11.402 9.894) 15.185 96.614 ( 1.548 1.761 -1.734) 2.916 96.813 ( 0.961 -3.574 -0.734) 3.773 96.956 ( 1.820 -1.456 1.865) 2.985 97.278 ( 17.706 -20.718 -3.960) 27.539 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 7.879 19.664 -0.113) 21.184 2.464 ( 11.816 25.699 1.095) 28.306 2.641 ( -4.834 17.772 2.607) 18.602 3.070 ( 2.229 2.312 0.327) 3.229 3.305 ( 11.047 0.028 5.998) 12.570 3.360 ( 2.809 -9.742 -0.339) 10.144 3.551 ( 1.875 -2.488 7.912) 8.503 3.644 ( 1.979 -0.906 -1.612) 2.709 3.678 ( -1.863 12.174 -1.279) 12.382 3.812 ( -6.482 -1.569 2.401) 7.088 3.973 ( 4.111 0.707 7.803) 8.848 4.102 ( 0.714 4.084 -5.065) 6.545 4.293 ( 1.215 -10.370 7.253) 12.713 4.358 ( -0.278 -1.563 5.968) 6.175 4.420 ( -2.641 -0.922 0.447) 2.833 4.543 ( 7.630 -1.316 4.177) 8.797 4.660 ( 0.777 3.485 -0.904) 3.683 4.875 ( -0.698 3.076 8.329) 8.906 4.926 ( 0.110 -6.425 -3.124) 7.145 4.958 ( -0.956 -5.447 -11.922) 13.142 5.212 ( 5.641 0.947 8.050) 9.875 5.404 ( -1.722 5.147 -8.001) 9.668 5.519 ( -6.376 -2.649 -8.073) 10.623 5.593 ( -0.272 3.565 1.770) 3.990 5.830 ( -6.014 9.863 -4.952) 12.568 5.961 ( 3.503 4.686 -3.638) 6.889 6.087 ( -7.025 5.682 0.217) 9.038 6.206 ( -3.708 -2.137 0.479) 4.307 6.511 ( -0.096 9.559 0.081) 9.559 6.773 ( 0.708 -4.986 -1.302) 5.202 6.927 ( 3.919 -2.133 -0.979) 4.568 7.016 ( -2.934 -2.117 2.623) 4.469 7.239 ( 1.948 1.244 -2.840) 3.662 7.304 ( 2.196 -1.025 1.460) 2.829 7.347 ( 4.470 -4.271 0.760) 6.229 7.427 ( 0.227 -0.132 1.989) 2.006 7.587 ( -11.300 -0.961 -1.316) 11.417 7.771 ( -0.758 -3.420 -0.859) 3.607 8.240 ( 0.606 2.065 -0.540) 2.219 8.469 ( -0.581 -3.184 0.478) 3.272 8.633 ( -0.376 3.162 -1.107) 3.371 8.675 ( -0.518 -0.697 -2.738) 2.872 8.984 ( 3.492 -1.366 1.454) 4.022 9.057 ( -1.196 -4.902 -0.644) 5.087 10.620 ( -0.582 0.357 1.005) 1.215 10.741 ( 1.466 -1.833 3.497) 4.212 10.814 ( -2.201 0.308 -4.030) 4.602 10.976 ( 1.036 -4.209 -0.206) 4.340 12.760 ( -0.797 4.270 -0.047) 4.344 12.994 ( -0.500 -1.254 0.509) 1.443 13.127 ( -0.186 2.690 -0.186) 2.703 13.320 ( 0.550 -1.464 0.002) 1.564 14.094 ( -0.170 1.539 0.704) 1.701 14.221 ( 0.303 -1.731 -0.074) 1.759 14.774 ( 0.275 3.969 0.591) 4.022 14.976 ( 0.904 -0.904 0.213) 1.296 16.246 ( 1.468 0.496 -0.340) 1.587 16.500 ( 0.385 -10.108 0.040) 10.115 17.329 ( 0.321 1.311 0.108) 1.354 17.409 ( 1.004 -0.757 -0.498) 1.352 21.249 ( 0.092 4.580 0.208) 4.585 21.543 ( -0.062 -3.368 0.365) 3.388 21.794 ( 1.283 12.597 -0.215) 12.664 22.086 ( 1.341 0.866 -1.299) 2.058 22.713 ( -0.054 -0.458 -0.238) 0.519 22.813 ( 0.865 0.842 -0.352) 1.257 23.009 ( -0.246 0.781 0.187) 0.840 23.090 ( 0.304 2.877 -0.219) 2.901 23.285 ( -0.937 3.763 -0.290) 3.889 23.691 ( -0.842 -6.592 0.037) 6.646 24.415 ( 0.197 2.280 -0.152) 2.294 24.757 ( 1.016 -6.077 0.704) 6.202 28.287 ( 0.323 -0.683 -0.114) 0.764 28.297 ( 0.922 -0.898 -0.159) 1.296 28.346 ( 0.121 -0.274 -0.093) 0.314 28.358 ( -1.009 -0.468 0.021) 1.112 28.461 ( -0.494 1.804 -0.436) 1.921 28.638 ( 1.122 -2.327 0.800) 2.704 28.661 ( -0.144 -2.299 -2.017) 3.062 28.701 ( -1.424 -4.972 1.783) 5.471 29.732 ( 0.517 3.466 -0.224) 3.511 29.786 ( -0.125 0.085 0.280) 0.318 29.825 ( -0.350 0.554 -0.303) 0.722 29.879 ( -0.578 -0.843 -0.418) 1.105 29.917 ( 0.081 0.525 0.404) 0.667 30.204 ( -0.377 -8.635 0.174) 8.645 30.795 ( -2.915 20.698 -3.702) 21.227 31.151 ( -0.645 6.224 -3.373) 7.108 32.091 ( 5.069 -0.269 -2.790) 5.793 32.228 ( -1.132 -3.161 2.335) 4.090 32.521 ( -4.328 4.953 5.527) 8.591 32.805 ( -2.558 -4.237 2.805) 5.689 48.363 ( 0.322 -0.505 0.104) 0.608 48.397 ( 0.043 -1.253 0.721) 1.446 48.529 ( 0.132 1.843 0.029) 1.848 48.622 ( -0.532 -0.867 -0.200) 1.037 72.859 ( 0.394 0.345 0.045) 0.525 72.879 ( -0.152 -0.316 -0.135) 0.376 72.896 ( 0.120 -0.460 -0.003) 0.475 72.905 ( -0.229 -0.675 0.006) 0.712 94.732 ( -0.115 0.803 -0.215) 0.839 94.890 ( -0.415 -3.106 -0.209) 3.141 95.070 ( 0.832 7.995 0.026) 8.039 95.814 ( -0.287 -8.645 3.257) 9.243 96.628 ( 0.640 1.706 -0.606) 1.921 96.820 ( 0.281 -3.249 -0.272) 3.273 96.988 ( 0.704 -0.660 0.570) 1.120 97.495 ( 6.412 -24.304 -1.417) 25.175 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 27.671 0.000) 27.671 1.926 ( 0.000 31.898 0.000) 31.898 2.044 ( 0.000 -26.508 0.000) 26.508 2.603 ( 0.000 -31.005 0.000) 31.005 2.741 ( 0.000 7.362 0.000) 7.362 2.895 ( 0.000 -5.184 0.000) 5.184 3.579 ( 0.000 -1.285 0.000) 1.285 3.591 ( 0.000 2.561 0.000) 2.561 3.691 ( 0.000 19.559 0.000) 19.559 3.886 ( 0.000 0.184 0.000) 0.184 4.029 ( 0.000 9.071 0.000) 9.071 4.101 ( 0.000 0.587 0.000) 0.587 4.357 ( 0.000 9.549 0.000) 9.549 4.374 ( 0.000 -2.293 0.000) 2.293 4.465 ( 0.000 6.185 0.000) 6.185 4.611 ( 0.000 -12.824 0.000) 12.824 4.663 ( 0.000 7.671 0.000) 7.671 4.717 ( 0.000 3.608 0.000) 3.608 4.830 ( 0.000 -1.932 0.000) 1.932 4.910 ( 0.000 9.788 0.000) 9.788 4.962 ( 0.000 -8.877 0.000) 8.877 5.304 ( 0.000 -19.667 0.000) 19.667 5.888 ( 0.000 8.380 0.000) 8.380 5.982 ( 0.000 -1.921 0.000) 1.921 6.144 ( 0.000 2.993 0.000) 2.993 6.232 ( 0.000 -4.479 0.000) 4.479 6.370 ( 0.000 -2.821 0.000) 2.821 6.405 ( 0.000 -5.268 0.000) 5.268 6.463 ( 0.000 3.566 0.000) 3.566 6.523 ( 0.000 -1.956 0.000) 1.956 6.839 ( 0.000 10.791 0.000) 10.791 6.966 ( 0.000 -2.764 0.000) 2.764 7.225 ( 0.000 6.240 0.000) 6.240 7.354 ( 0.000 1.365 0.000) 1.365 7.403 ( 0.000 -3.356 0.000) 3.356 7.437 ( 0.000 -3.402 0.000) 3.402 7.955 ( 0.000 -0.701 0.000) 0.701 7.999 ( 0.000 -3.869 0.000) 3.869 8.183 ( 0.000 0.999 0.000) 0.999 8.200 ( 0.000 -2.455 0.000) 2.455 8.440 ( 0.000 0.194 0.000) 0.194 8.475 ( 0.000 -2.785 0.000) 2.785 9.070 ( 0.000 6.323 0.000) 6.323 9.230 ( 0.000 -8.363 0.000) 8.363 10.717 ( 0.000 0.301 0.000) 0.301 10.719 ( 0.000 0.031 0.000) 0.031 10.839 ( 0.000 -0.116 0.000) 0.116 10.849 ( 0.000 -1.110 0.000) 1.110 12.918 ( 0.000 3.036 0.000) 3.036 12.967 ( 0.000 -1.633 0.000) 1.633 13.203 ( 0.000 1.167 0.000) 1.167 13.234 ( 0.000 -1.525 0.000) 1.525 14.124 ( 0.000 1.643 0.000) 1.643 14.159 ( 0.000 -1.610 0.000) 1.610 14.799 ( 0.000 3.057 0.000) 3.057 14.854 ( 0.000 -1.983 0.000) 1.983 16.183 ( 0.000 2.277 0.000) 2.277 16.236 ( 0.000 -2.589 0.000) 2.589 17.313 ( 0.000 0.560 0.000) 0.560 17.323 ( 0.000 -0.304 0.000) 0.304 21.406 ( 0.000 5.288 0.000) 5.288 21.494 ( 0.000 -2.985 0.000) 2.985 21.854 ( 0.000 4.002 0.000) 4.002 21.905 ( 0.000 -0.656 0.000) 0.656 22.722 ( 0.000 0.959 0.000) 0.959 22.737 ( 0.000 -0.526 0.000) 0.526 23.054 ( 0.000 0.635 0.000) 0.635 23.061 ( 0.000 0.155 0.000) 0.155 23.541 ( 0.000 3.612 0.000) 3.612 23.643 ( 0.000 -5.647 0.000) 5.647 24.455 ( 0.000 3.198 0.000) 3.198 24.539 ( 0.000 -4.556 0.000) 4.556 28.261 ( 0.000 0.056 0.000) 0.056 28.266 ( 0.000 -0.384 0.000) 0.384 28.367 ( 0.000 -0.097 0.000) 0.097 28.367 ( 0.000 -0.249 0.000) 0.249 28.530 ( 0.000 0.221 0.000) 0.221 28.543 ( 0.000 -0.868 0.000) 0.868 28.692 ( 0.000 1.975 0.000) 1.975 28.734 ( 0.000 -1.805 0.000) 1.805 29.737 ( 0.000 1.172 0.000) 1.172 29.758 ( 0.000 -1.075 0.000) 1.075 29.890 ( 0.000 0.912 0.000) 0.912 29.913 ( 0.000 -1.164 0.000) 1.164 29.952 ( 0.000 4.501 0.000) 4.501 30.074 ( 0.000 -6.695 0.000) 6.695 31.462 ( 0.000 10.706 0.000) 10.706 31.662 ( 0.000 -7.670 0.000) 7.670 32.024 ( 0.000 1.282 0.000) 1.282 32.048 ( 0.000 -0.485 0.000) 0.485 32.646 ( 0.000 7.298 0.000) 7.298 32.818 ( 0.000 -8.306 0.000) 8.306 48.311 ( 0.000 0.651 0.000) 0.651 48.329 ( 0.000 -1.037 0.000) 1.037 48.573 ( 0.000 2.557 0.000) 2.557 48.628 ( 0.000 -2.500 0.000) 2.500 72.843 ( 0.000 0.159 0.000) 0.159 72.848 ( 0.000 -0.278 0.000) 0.278 72.905 ( 0.000 -0.104 0.000) 0.104 72.905 ( 0.000 -0.135 0.000) 0.135 94.814 ( 0.000 3.427 0.000) 3.427 94.886 ( 0.000 -3.193 0.000) 3.193 95.084 ( 0.000 6.008 0.000) 6.008 95.225 ( 0.000 -6.927 0.000) 6.927 96.653 ( 0.000 2.416 0.000) 2.416 96.689 ( 0.000 -0.051 0.000) 0.051 96.805 ( 0.000 0.443 0.000) 0.443 96.863 ( 0.000 -3.990 0.000) 3.990 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 19.667 23.614 4.146) 31.010 2.053 ( 10.446 27.967 9.417) 31.304 2.230 ( 15.413 -22.904 4.262) 27.934 2.691 ( 6.453 -28.778 6.289) 30.156 2.824 ( 5.661 6.058 7.598) 11.246 2.959 ( 6.394 -4.379 1.149) 7.834 3.626 ( 3.649 0.570 3.289) 4.945 3.629 ( 1.169 9.810 5.039) 11.090 3.725 ( 1.625 10.231 6.974) 12.488 3.847 ( -3.995 3.613 -0.213) 5.391 4.029 ( -1.054 5.642 2.159) 6.132 4.050 ( -3.983 0.207 -1.848) 4.395 4.282 ( -5.265 4.938 0.267) 7.223 4.341 ( -7.469 2.124 12.389) 14.621 4.469 ( 1.501 3.412 -4.547) 5.879 4.600 ( -1.965 -10.707 1.875) 11.047 4.665 ( -0.609 2.451 2.792) 3.765 4.776 ( 5.822 7.262 -5.720) 10.925 4.849 ( 4.085 4.034 -2.988) 6.472 4.936 ( 1.612 2.045 -0.608) 2.674 4.990 ( 4.027 -4.831 -2.547) 6.786 5.304 ( -0.576 -18.983 1.783) 19.075 5.808 ( -2.204 8.494 -12.672) 15.414 5.933 ( -3.581 -2.517 -4.595) 6.346 6.095 ( -2.186 3.864 -3.504) 5.655 6.223 ( -5.409 -6.109 7.310) 10.955 6.337 ( -2.668 1.586 -4.944) 5.838 6.373 ( -1.773 -1.018 -3.996) 4.489 6.534 ( 7.147 -0.631 0.287) 7.181 6.585 ( 5.043 -3.522 2.911) 6.805 6.826 ( -0.934 9.303 -0.697) 9.375 6.941 ( -1.590 -2.837 0.353) 3.271 7.186 ( -2.968 5.667 -1.775) 6.639 7.318 ( -3.218 -2.696 -1.625) 4.502 7.399 ( 0.675 1.591 2.043) 2.676 7.467 ( 0.557 -1.882 0.739) 2.097 7.838 ( -6.303 -2.593 -2.294) 7.191 7.862 ( -8.308 -4.292 -2.831) 9.770 8.256 ( 1.747 4.033 6.644) 7.966 8.356 ( 2.903 -5.412 7.755) 9.892 8.502 ( 9.186 3.050 -2.537) 10.006 8.583 ( 11.368 -3.854 -0.390) 12.010 8.980 ( -6.858 5.724 -4.475) 9.991 9.128 ( -8.293 -7.768 -3.186) 11.801 10.688 ( -2.576 0.702 0.736) 2.769 10.705 ( -2.036 -0.846 1.246) 2.532 10.856 ( 2.169 0.282 -1.851) 2.866 10.872 ( 2.320 -1.155 -1.935) 3.234 12.906 ( -1.335 3.479 0.535) 3.764 12.967 ( -0.589 -2.161 1.221) 2.551 13.198 ( -0.197 1.830 -0.540) 1.919 13.241 ( 0.792 -1.972 -0.283) 2.144 14.127 ( -0.104 1.782 0.913) 2.005 14.164 ( 0.375 -1.693 0.293) 1.758 14.812 ( 0.941 3.275 0.807) 3.502 14.871 ( 1.453 -2.158 0.538) 2.657 16.199 ( 1.480 2.465 0.304) 2.891 16.265 ( 2.628 -3.830 0.100) 4.646 17.321 ( 0.841 0.788 -0.209) 1.172 17.336 ( 1.443 -0.591 -0.556) 1.656 21.391 ( -1.455 5.454 0.383) 5.657 21.486 ( -0.946 -3.395 0.429) 3.550 21.880 ( 2.771 5.191 0.042) 5.885 21.952 ( 4.607 -1.652 -1.281) 5.060 22.723 ( 0.231 1.144 -0.337) 1.215 22.748 ( 1.061 -0.955 -0.181) 1.439 23.051 ( -0.007 1.460 -0.015) 1.460 23.075 ( 1.184 -0.423 -0.175) 1.270 23.508 ( -2.809 4.498 -0.857) 5.372 23.622 ( -1.830 -6.006 -0.459) 6.296 24.461 ( 0.660 3.529 0.079) 3.591 24.554 ( 1.284 -4.987 0.640) 5.190 28.261 ( 0.302 0.151 -0.460) 0.570 28.268 ( 0.286 -0.444 -0.258) 0.588 28.359 ( -0.467 0.188 -0.077) 0.509 28.368 ( -0.229 -0.581 0.148) 0.642 28.523 ( -0.599 0.861 0.250) 1.078 28.549 ( 0.277 -1.468 0.609) 1.613 28.680 ( -1.168 1.608 -0.216) 1.999 28.720 ( -1.526 -1.905 0.109) 2.443 29.745 ( 1.018 1.148 -0.581) 1.641 29.765 ( 0.681 -0.895 -0.210) 1.144 29.877 ( -1.006 0.913 -0.605) 1.487 29.901 ( -1.027 -1.286 -0.404) 1.695 29.957 ( 0.025 4.346 1.111) 4.486 30.073 ( -0.215 -6.336 0.237) 6.344 31.406 ( -3.958 9.393 -4.450) 11.122 31.549 ( -5.674 -3.231 -14.679) 16.066 31.982 ( 1.726 5.120 -4.622) 7.110 32.090 ( 0.911 -4.846 1.957) 5.305 32.666 ( -3.461 5.302 12.355) 13.883 32.798 ( -4.656 -6.714 7.414) 11.033 48.323 ( 0.835 0.447 0.725) 1.193 48.339 ( 0.680 -0.999 0.731) 1.412 48.571 ( -0.131 2.397 -0.084) 2.402 48.622 ( -0.502 -2.281 -0.207) 2.344 72.846 ( 0.301 0.250 0.004) 0.391 72.853 ( 0.500 -0.438 -0.026) 0.665 72.902 ( -0.215 -0.012 -0.018) 0.216 72.905 ( -0.082 -0.228 -0.013) 0.243 94.804 ( -0.833 3.120 -0.450) 3.261 94.872 ( -1.226 -3.102 -0.333) 3.352 95.133 ( 3.857 7.688 1.836) 8.795 95.325 ( 6.881 -10.329 5.600) 13.616 96.654 ( 0.838 2.841 -1.368) 3.263 96.712 ( 1.674 -2.424 -0.318) 2.962 96.849 ( 4.300 0.333 0.924) 4.411 96.894 ( 3.793 -3.605 -0.991) 5.326 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 16.263 22.257 -0.820) 27.578 2.417 ( 16.579 17.186 10.854) 26.231 2.556 ( 13.573 -19.164 3.680) 23.770 2.872 ( 5.927 -17.856 5.350) 19.560 3.046 ( 11.375 3.315 8.946) 14.846 3.160 ( 12.671 -5.121 3.636) 14.142 3.650 ( -3.261 16.447 4.878) 17.462 3.739 ( 0.168 9.213 6.221) 11.118 3.775 ( 1.001 -0.394 3.238) 3.412 3.850 ( 1.285 -2.873 12.472) 12.863 3.924 ( -4.444 3.695 -0.012) 5.779 4.063 ( 1.537 2.841 5.252) 6.166 4.223 ( -3.192 4.274 5.218) 7.462 4.313 ( -2.385 -1.257 8.700) 9.108 4.430 ( -2.980 1.684 -3.252) 4.721 4.571 ( -2.107 -7.707 1.739) 8.177 4.671 ( -0.281 2.353 1.664) 2.896 4.809 ( 4.258 4.414 -10.493) 12.154 4.923 ( -2.209 1.480 2.073) 3.372 4.946 ( 6.323 2.091 -7.890) 10.325 5.067 ( 4.724 -1.719 0.259) 5.034 5.306 ( -0.810 -16.559 1.826) 16.679 5.682 ( -0.295 7.812 -14.468) 16.445 5.790 ( -5.584 -1.916 -9.732) 11.383 6.032 ( -2.339 4.692 -2.077) 5.639 6.146 ( -6.765 -1.980 6.510) 9.595 6.218 ( -4.873 2.204 -6.662) 8.543 6.291 ( -2.727 -0.781 -5.656) 6.327 6.642 ( 1.725 0.715 3.432) 3.907 6.707 ( 2.168 -4.465 1.937) 5.329 6.826 ( 4.126 8.397 -0.063) 9.356 6.974 ( 5.754 -5.226 -0.437) 7.785 7.113 ( -2.737 4.511 -1.923) 5.616 7.244 ( -2.611 -4.051 -2.016) 5.224 7.428 ( -0.367 1.522 1.894) 2.457 7.443 ( -3.542 1.888 1.677) 4.350 7.700 ( -7.035 -2.541 -1.569) 7.643 7.738 ( -2.996 -5.117 -1.734) 6.178 8.296 ( 0.136 4.080 1.780) 4.453 8.393 ( -0.750 -4.867 2.253) 5.415 8.680 ( 7.810 5.036 -3.852) 10.060 8.797 ( 2.814 -3.892 -6.099) 7.763 8.815 ( -0.784 4.451 4.630) 6.470 8.958 ( -5.428 -7.632 0.211) 9.367 10.649 ( -2.043 1.119 1.840) 2.968 10.680 ( -1.558 -1.724 2.514) 3.423 10.871 ( 0.858 0.711 -3.278) 3.463 10.895 ( 1.835 -1.537 -2.864) 3.733 12.880 ( -1.635 4.167 0.344) 4.489 12.958 ( -1.165 -2.989 1.085) 3.386 13.194 ( 0.149 2.976 -0.414) 3.008 13.257 ( 0.942 -2.700 -0.148) 2.863 14.132 ( -0.119 2.025 1.009) 2.265 14.174 ( 0.409 -1.889 0.314) 1.958 14.840 ( 1.198 3.728 0.975) 4.035 14.908 ( 1.754 -2.504 0.689) 3.134 16.236 ( 2.055 2.379 0.094) 3.145 16.314 ( 1.986 -5.175 0.298) 5.551 17.340 ( 1.184 1.127 -0.242) 1.652 17.364 ( 1.747 -1.064 -0.680) 2.156 21.368 ( -1.110 5.421 0.397) 5.548 21.470 ( -0.935 -4.051 0.416) 4.178 21.946 ( 3.715 6.315 -0.028) 7.327 22.033 ( 4.321 -2.041 -1.264) 4.943 22.726 ( 0.282 1.568 -0.337) 1.629 22.770 ( 1.274 -1.976 -0.321) 2.373 23.056 ( 0.552 2.678 -0.156) 2.738 23.099 ( 1.340 -0.746 -0.204) 1.547 23.440 ( -3.293 5.721 -0.766) 6.645 23.576 ( -2.436 -6.804 -0.548) 7.248 24.477 ( 0.842 4.254 0.102) 4.338 24.588 ( 1.587 -5.914 0.799) 6.175 28.268 ( 0.790 0.066 -0.507) 0.941 28.273 ( 0.507 -0.415 -0.364) 0.750 28.350 ( -0.469 0.254 -0.062) 0.537 28.361 ( -0.626 -0.687 0.039) 0.930 28.515 ( -0.445 1.892 0.313) 1.969 28.561 ( 0.366 -2.324 0.977) 2.547 28.650 ( -1.629 0.567 -0.476) 1.789 28.681 ( -2.515 -2.049 0.124) 3.246 29.763 ( 1.377 1.075 -1.035) 2.031 29.778 ( 0.703 -0.448 -0.059) 0.836 29.851 ( -1.027 0.657 -0.670) 1.392 29.874 ( -1.291 -1.380 -0.631) 1.993 29.964 ( -0.198 4.123 1.267) 4.318 30.069 ( -0.404 -5.620 0.355) 5.646 31.266 ( -6.226 8.794 -6.750) 12.715 31.340 ( -4.268 1.649 -12.020) 12.861 32.026 ( 4.553 3.107 -2.072) 5.889 32.119 ( 1.903 -5.093 -0.782) 5.493 32.660 ( -6.057 3.959 12.038) 14.046 32.753 ( -5.556 -4.716 8.241) 11.002 48.346 ( 0.863 0.293 0.643) 1.116 48.360 ( 0.692 -0.967 0.965) 1.532 48.568 ( -0.111 2.003 -0.092) 2.009 48.609 ( -0.616 -1.759 -0.262) 1.881 72.855 ( 0.587 0.338 0.016) 0.678 72.864 ( 0.639 -0.553 -0.040) 0.846 72.896 ( -0.414 0.081 -0.042) 0.424 72.901 ( -0.308 -0.346 -0.029) 0.464 94.782 ( -0.991 2.542 -0.693) 2.815 94.843 ( -1.268 -3.086 -0.704) 3.410 95.225 ( 3.661 10.604 2.370) 11.466 95.487 ( 4.727 -13.449 5.732) 15.365 96.666 ( 1.205 2.910 -1.199) 3.370 96.735 ( 1.116 -3.528 -0.616) 3.751 96.939 ( 3.699 0.473 0.975) 3.854 97.005 ( 7.948 -6.571 -1.088) 10.370 ======================= Grid point 24 (16/100) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 7.040 21.444 -0.343) 22.573 2.691 ( 7.093 9.262 1.132) 11.721 2.747 ( 3.886 -17.497 2.937) 18.163 2.957 ( 1.371 -9.582 0.795) 9.712 3.302 ( 7.623 4.175 0.106) 8.692 3.373 ( 5.999 0.253 2.508) 6.507 3.617 ( -1.821 2.492 3.920) 4.989 3.697 ( -4.907 -0.029 3.690) 6.140 3.820 ( 0.943 18.097 1.720) 18.203 3.958 ( 3.109 6.573 9.949) 12.323 3.999 ( 6.640 0.329 5.221) 8.453 4.138 ( -1.123 -2.655 2.282) 3.677 4.192 ( -3.932 3.030 -2.784) 5.691 4.278 ( -2.160 -6.048 1.696) 6.642 4.431 ( 1.682 1.886 5.812) 6.338 4.567 ( 1.199 -5.335 4.503) 7.083 4.687 ( 0.697 -1.911 2.298) 3.069 4.804 ( -1.032 8.905 -8.546) 12.386 4.809 ( -2.815 -6.960 -7.714) 10.764 5.000 ( 2.263 0.568 -2.052) 3.107 5.151 ( 2.261 -2.657 2.387) 4.227 5.276 ( -2.351 -8.821 -1.448) 9.243 5.618 ( 1.752 4.568 -7.905) 9.296 5.647 ( -3.197 1.422 -2.907) 4.549 5.988 ( -0.512 4.355 -1.609) 4.671 6.080 ( -5.275 -2.864 6.345) 8.734 6.099 ( -1.306 7.243 -5.674) 9.293 6.218 ( -1.212 -0.935 -2.930) 3.306 6.670 ( -0.597 1.447 3.877) 4.181 6.694 ( -0.711 -0.860 -2.368) 2.618 6.944 ( 4.529 4.951 0.847) 6.764 7.032 ( -1.890 3.916 0.599) 4.389 7.135 ( 6.095 -6.996 -2.244) 9.546 7.226 ( 2.713 -4.663 -1.553) 5.614 7.358 ( -4.480 1.947 2.114) 5.322 7.404 ( -4.418 -3.023 1.261) 5.500 7.594 ( -2.492 3.388 -0.922) 4.305 7.693 ( -0.843 -4.732 -1.011) 4.911 8.301 ( 0.112 3.535 -0.228) 3.544 8.386 ( -0.433 -4.246 0.014) 4.268 8.687 ( -1.196 1.834 -2.438) 3.277 8.696 ( -2.238 1.708 -1.833) 3.360 8.934 ( 3.428 -1.530 1.977) 4.243 8.963 ( 1.151 -3.928 1.249) 4.280 10.639 ( -0.468 1.468 1.358) 2.054 10.683 ( -0.146 -2.636 1.980) 3.300 10.850 ( -0.339 2.150 -2.496) 3.311 10.901 ( 0.528 -2.826 -1.403) 3.199 12.857 ( -0.735 4.531 0.056) 4.590 12.944 ( -0.614 -3.399 0.347) 3.472 13.196 ( 0.164 3.610 -0.096) 3.615 13.270 ( 0.412 -3.093 -0.005) 3.120 14.135 ( -0.052 2.168 0.406) 2.206 14.181 ( 0.161 -2.057 0.126) 2.067 14.863 ( 0.540 4.061 0.425) 4.118 14.937 ( 0.764 -2.745 0.310) 2.866 16.268 ( 1.020 1.830 -0.020) 2.095 16.339 ( 0.470 -5.148 0.161) 5.172 17.356 ( 0.555 1.328 -0.099) 1.443 17.386 ( 0.770 -1.355 -0.299) 1.587 21.356 ( -0.332 5.122 0.161) 5.135 21.459 ( -0.361 -4.410 0.153) 4.427 22.001 ( 1.665 6.627 0.013) 6.833 22.084 ( 1.623 -1.539 -0.523) 2.297 22.728 ( 0.110 1.969 -0.134) 1.976 22.786 ( 0.542 -2.829 -0.164) 2.885 23.066 ( 0.447 3.667 -0.108) 3.696 23.118 ( 0.631 -0.601 -0.108) 0.878 23.389 ( -1.453 5.957 -0.226) 6.136 23.536 ( -1.166 -7.497 -0.240) 7.591 24.490 ( 0.382 4.829 0.048) 4.844 24.616 ( 0.711 -6.643 0.360) 6.691 28.278 ( 0.344 -0.122 -0.203) 0.418 28.282 ( 0.575 -0.459 -0.215) 0.766 28.343 ( -0.150 0.082 -0.002) 0.171 28.348 ( -0.533 -0.378 -0.014) 0.654 28.511 ( -0.099 2.842 0.133) 2.847 28.577 ( 0.524 -3.122 0.816) 3.270 28.622 ( -0.394 -0.731 -0.865) 1.199 28.636 ( -2.105 -1.796 0.334) 2.787 29.777 ( 0.635 1.013 -0.715) 1.393 29.787 ( 0.203 -0.045 0.185) 0.279 29.834 ( -0.324 0.320 -0.298) 0.544 29.851 ( -0.586 -1.338 -0.327) 1.496 29.967 ( -0.138 3.943 0.551) 3.983 30.065 ( -0.225 -5.107 0.183) 5.115 31.136 ( -2.550 10.459 -3.442) 11.302 31.235 ( -1.466 0.641 -3.567) 3.909 32.093 ( 2.852 0.937 -1.146) 3.213 32.145 ( 1.018 -3.777 -0.513) 3.946 32.623 ( -3.301 4.410 4.865) 7.350 32.714 ( -2.609 -4.215 3.551) 6.098 48.361 ( 0.353 0.283 0.224) 0.504 48.374 ( 0.233 -0.902 0.425) 1.024 48.566 ( -0.026 1.661 -0.033) 1.661 48.598 ( -0.263 -1.313 -0.114) 1.345 72.867 ( 0.607 0.354 0.046) 0.704 72.874 ( 0.243 -0.261 -0.057) 0.361 72.888 ( -0.201 -0.100 -0.008) 0.225 72.893 ( -0.458 -0.449 -0.030) 0.642 94.763 ( -0.433 2.146 -0.332) 2.214 94.821 ( -0.524 -3.132 -0.371) 3.197 95.286 ( 1.308 12.126 1.040) 12.241 95.569 ( 1.220 -13.471 2.196) 13.703 96.677 ( 0.538 2.840 -0.459) 2.927 96.746 ( 0.422 -3.506 -0.290) 3.543 96.997 ( 1.613 2.138 0.287) 2.694 97.120 ( 3.691 -10.687 -0.314) 11.310 ======================= Grid point 49 (17/100) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -3.937 0.000 21.605) 21.961 0.532 ( 8.654 0.000 28.563) 29.845 1.102 ( -2.073 0.000 54.239) 54.279 2.746 ( 8.355 0.000 15.659) 17.749 2.843 ( 2.330 0.000 -4.648) 5.200 3.204 ( -8.446 0.000 -5.177) 9.907 3.264 ( -2.070 0.000 -0.080) 2.071 3.328 ( 6.446 0.000 -1.015) 6.526 3.765 ( -1.339 0.000 10.217) 10.304 3.766 ( 0.968 0.000 -1.702) 1.958 4.086 ( -0.430 0.000 -3.064) 3.094 4.111 ( 6.312 0.000 6.880) 9.337 4.402 ( -0.794 0.000 3.370) 3.462 4.421 ( -0.823 0.000 0.917) 1.232 4.461 ( 14.058 0.000 -5.205) 14.991 4.526 ( 2.052 0.000 6.506) 6.822 4.581 ( 7.675 0.000 -3.627) 8.489 4.694 ( -0.309 0.000 -0.966) 1.015 4.808 ( 0.938 0.000 -8.105) 8.159 4.862 ( 0.027 0.000 9.175) 9.175 4.974 ( -3.149 0.000 -2.054) 3.759 5.134 ( -12.650 0.000 15.166) 19.749 5.312 ( -4.182 0.000 9.690) 10.554 5.943 ( -1.787 0.000 -1.704) 2.470 6.110 ( -0.711 0.000 -7.781) 7.813 6.261 ( 2.606 0.000 -5.976) 6.520 6.291 ( -8.292 0.000 -7.281) 11.035 6.415 ( 5.589 0.000 -4.678) 7.289 6.734 ( -0.782 0.000 -9.293) 9.326 6.866 ( -3.591 0.000 1.408) 3.857 6.871 ( 3.529 0.000 4.428) 5.662 7.006 ( -11.154 0.000 10.337) 15.207 7.120 ( 11.831 0.000 2.890) 12.179 7.355 ( 2.877 0.000 -3.878) 4.829 7.538 ( 3.679 0.000 -0.108) 3.681 7.546 ( 1.552 0.000 -6.139) 6.332 7.835 ( 22.862 0.000 -18.871) 29.644 7.963 ( 0.537 0.000 -3.878) 3.915 8.171 ( -0.147 0.000 -1.579) 1.586 8.486 ( -0.081 0.000 2.322) 2.324 8.604 ( 11.958 0.000 3.190) 12.376 8.722 ( -3.094 0.000 3.198) 4.450 8.801 ( -4.683 0.000 0.840) 4.757 9.370 ( -34.230 0.000 -16.245) 37.889 10.691 ( 0.876 0.000 -2.141) 2.314 10.758 ( 0.420 0.000 5.937) 5.952 10.878 ( 12.153 0.000 -1.272) 12.219 10.981 ( -1.340 0.000 2.768) 3.075 12.741 ( -0.923 0.000 2.184) 2.371 12.977 ( 1.389 0.000 -2.463) 2.828 13.129 ( -0.682 0.000 0.757) 1.019 13.243 ( 1.036 0.000 -3.686) 3.829 14.117 ( -1.473 0.000 6.959) 7.114 14.638 ( 2.489 0.000 -0.884) 2.642 14.720 ( -11.929 0.000 0.620) 11.945 14.875 ( 0.254 0.000 -0.582) 0.635 16.105 ( 7.349 0.000 0.225) 7.353 16.132 ( -1.468 0.000 -0.396) 1.521 17.304 ( 0.121 0.000 1.339) 1.345 17.319 ( -1.122 0.000 0.729) 1.338 21.090 ( 0.617 0.000 -0.222) 0.655 21.159 ( 0.498 0.000 -1.626) 1.701 21.594 ( -1.172 0.000 3.215) 3.422 21.856 ( -10.914 0.000 -0.221) 10.916 22.672 ( -1.274 0.000 -0.305) 1.310 22.841 ( -0.657 0.000 2.070) 2.172 22.873 ( 0.817 0.000 -4.078) 4.159 23.044 ( 1.018 0.000 1.384) 1.718 23.187 ( -1.966 0.000 4.913) 5.292 24.108 ( -4.595 0.000 -4.858) 6.687 24.392 ( -2.956 0.000 2.079) 3.614 24.741 ( 2.350 0.000 -1.392) 2.731 28.274 ( 0.269 0.000 -0.478) 0.549 28.297 ( -0.470 0.000 -0.245) 0.530 28.315 ( 0.139 0.000 0.370) 0.395 28.395 ( 0.038 0.000 -0.595) 0.596 28.538 ( -2.244 0.000 -2.903) 3.669 28.551 ( -2.244 0.000 -2.672) 3.490 28.697 ( 0.700 0.000 4.555) 4.609 28.812 ( 2.183 0.000 3.911) 4.479 29.615 ( 0.176 0.000 1.601) 1.610 29.793 ( 0.122 0.000 -0.014) 0.123 29.828 ( 0.362 0.000 0.249) 0.439 29.906 ( 0.547 0.000 0.305) 0.627 29.958 ( 3.307 0.000 -0.432) 3.335 29.967 ( -0.690 0.000 -1.352) 1.518 30.627 ( -4.698 0.000 0.122) 4.700 30.766 ( -1.141 0.000 -1.761) 2.098 31.837 ( -2.603 0.000 1.351) 2.932 32.402 ( 0.149 0.000 -6.699) 6.701 33.141 ( 0.797 0.000 9.149) 9.183 34.220 ( -3.766 0.000 -5.190) 6.413 48.418 ( -0.263 0.000 -0.026) 0.264 48.418 ( 2.173 0.000 -0.407) 2.211 48.467 ( 8.289 0.000 1.747) 8.471 48.711 ( -0.099 0.000 -1.338) 1.342 72.843 ( 0.649 0.000 0.041) 0.650 72.847 ( -0.028 0.000 -0.015) 0.032 72.916 ( -0.057 0.000 0.006) 0.057 72.918 ( 0.081 0.000 -0.016) 0.083 94.681 ( -0.062 0.000 0.510) 0.514 94.837 ( 1.419 0.000 -3.259) 3.555 95.091 ( -5.197 0.000 7.342) 8.995 96.006 ( 69.608 0.000 -5.738) 69.845 96.602 ( 7.068 0.000 3.178) 7.750 96.861 ( 0.663 0.000 -3.343) 3.408 97.010 ( -0.004 0.000 3.601) 3.601 97.189 ( -56.236 0.000 -1.068) 56.246 ======================= Grid point 50 (18/100) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 1.914 0.000 18.587) 18.685 0.854 ( 9.411 0.000 27.767) 29.319 1.750 ( 27.476 0.000 30.952) 41.388 2.863 ( 2.449 0.000 -3.823) 4.540 2.946 ( 0.921 0.000 10.233) 10.275 3.101 ( 0.273 0.000 3.041) 3.053 3.349 ( 8.698 0.000 5.502) 10.292 3.491 ( 10.311 0.000 -1.283) 10.390 3.766 ( 1.876 0.000 -2.443) 3.080 3.821 ( -0.681 0.000 8.110) 8.139 4.115 ( 3.634 0.000 1.285) 3.855 4.281 ( 4.625 0.000 5.407) 7.116 4.377 ( -1.166 0.000 -2.516) 2.773 4.386 ( -1.367 0.000 -1.416) 1.968 4.650 ( 3.661 0.000 6.479) 7.441 4.679 ( 9.745 0.000 2.915) 10.172 4.709 ( 1.276 0.000 1.687) 2.115 4.765 ( 5.939 0.000 -3.565) 6.926 4.800 ( 6.393 0.000 1.259) 6.515 4.869 ( -6.187 0.000 7.779) 9.939 4.928 ( -1.019 0.000 7.198) 7.269 5.038 ( -6.186 0.000 10.008) 11.765 5.285 ( -3.444 0.000 7.218) 7.997 5.830 ( -7.449 0.000 -8.949) 11.644 6.008 ( -5.579 0.000 -4.163) 6.961 6.060 ( -8.175 0.000 -9.198) 12.306 6.272 ( 1.739 0.000 -2.790) 3.288 6.403 ( -2.961 0.000 -6.667) 7.295 6.675 ( 2.982 0.000 -12.683) 13.029 6.736 ( -9.208 0.000 -2.520) 9.546 6.886 ( -7.711 0.000 8.759) 11.670 6.977 ( 2.633 0.000 7.430) 7.883 7.184 ( -5.160 0.000 5.642) 7.646 7.365 ( 0.491 0.000 -3.019) 3.059 7.547 ( 3.830 0.000 -8.976) 9.759 7.601 ( 1.141 0.000 3.240) 3.435 7.730 ( -9.737 0.000 -19.816) 22.079 7.919 ( -1.284 0.000 -4.505) 4.684 8.157 ( 0.711 0.000 -2.736) 2.826 8.514 ( 0.953 0.000 4.346) 4.450 8.582 ( -5.740 0.000 8.148) 9.967 8.735 ( -2.457 0.000 -1.503) 2.880 8.847 ( -4.930 0.000 -9.292) 10.519 8.962 ( 12.099 0.000 -5.749) 13.395 10.688 ( 0.427 0.000 -1.646) 1.701 10.715 ( -3.314 0.000 0.812) 3.412 10.966 ( -1.904 0.000 1.697) 2.551 11.084 ( 5.117 0.000 2.026) 5.503 12.722 ( -2.126 0.000 1.429) 2.562 12.984 ( 0.865 0.000 -1.714) 1.920 13.114 ( -1.228 0.000 0.432) 1.302 13.251 ( 2.354 0.000 -3.413) 4.146 14.137 ( -1.467 0.000 6.963) 7.115 14.425 ( -12.616 0.000 9.307) 15.677 14.674 ( 1.273 0.000 0.038) 1.274 14.893 ( 2.101 0.000 -0.798) 2.248 16.130 ( 1.769 0.000 -1.099) 2.083 16.549 ( 24.596 0.000 -17.178) 30.001 17.307 ( -1.010 0.000 1.826) 2.087 17.320 ( 1.057 0.000 0.009) 1.057 21.121 ( 2.628 0.000 -0.012) 2.628 21.174 ( 2.290 0.000 -1.894) 2.972 21.609 ( 0.191 0.000 3.518) 3.523 21.859 ( 6.073 0.000 -2.462) 6.553 22.677 ( 1.470 0.000 -1.546) 2.133 22.835 ( -1.395 0.000 1.807) 2.283 22.872 ( 1.896 0.000 -3.877) 4.316 23.073 ( 0.744 0.000 1.622) 1.784 23.193 ( -1.008 0.000 4.931) 5.033 23.971 ( -5.936 0.000 0.004) 5.936 24.371 ( -0.585 0.000 0.573) 0.819 24.795 ( 3.677 0.000 -0.384) 3.697 28.283 ( 0.849 0.000 -0.128) 0.858 28.292 ( 0.668 0.000 -1.027) 1.225 28.323 ( 0.343 0.000 0.501) 0.607 28.391 ( -0.059 0.000 -0.748) 0.750 28.489 ( -2.317 0.000 -2.303) 3.267 28.575 ( 4.633 0.000 -5.766) 7.397 28.731 ( 0.006 0.000 3.458) 3.458 28.898 ( 3.536 0.000 3.523) 4.991 29.630 ( 0.036 0.000 2.028) 2.029 29.786 ( -0.457 0.000 -0.604) 0.757 29.840 ( -0.039 0.000 1.362) 1.363 29.921 ( 0.827 0.000 0.333) 0.892 29.924 ( -2.361 0.000 -1.063) 2.589 29.987 ( 1.253 0.000 -1.894) 2.271 30.635 ( 2.492 0.000 0.658) 2.577 30.738 ( -0.035 0.000 -2.892) 2.892 31.829 ( 1.232 0.000 -0.525) 1.339 32.365 ( 0.976 0.000 -6.154) 6.231 33.171 ( -4.788 0.000 9.978) 11.068 33.491 ( -48.652 0.000 25.718) 55.031 48.410 ( -0.440 0.000 -0.212) 0.488 48.438 ( 0.998 0.000 0.011) 0.998 48.522 ( -1.497 0.000 1.657) 2.233 48.685 ( -1.321 0.000 -1.835) 2.261 72.847 ( 0.043 0.000 -0.031) 0.053 72.873 ( 1.595 0.000 -1.275) 2.042 72.914 ( -0.194 0.000 -0.032) 0.197 72.920 ( 0.148 0.000 0.004) 0.148 94.693 ( 0.881 0.000 0.556) 1.041 94.844 ( 1.692 0.000 -3.347) 3.750 95.042 ( -4.214 0.000 5.246) 6.729 96.461 ( -7.543 0.000 4.186) 8.626 96.551 ( -13.059 0.000 5.384) 14.125 96.845 ( 0.492 0.000 -3.460) 3.494 97.049 ( 0.532 0.000 4.760) 4.789 97.357 ( 52.502 0.000 -33.699) 62.386 ======================= Grid point 51 (19/100) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.588 0.000 15.171) 15.182 1.259 ( 12.786 0.000 23.277) 26.558 2.334 ( 19.703 0.000 3.330) 19.983 2.869 ( 0.413 0.000 -2.957) 2.986 2.971 ( -1.144 0.000 1.542) 1.920 3.276 ( 10.975 0.000 9.461) 14.490 3.495 ( 4.370 0.000 -5.572) 7.081 3.642 ( 5.799 0.000 -2.630) 6.368 3.812 ( -5.349 0.000 8.628) 10.151 3.871 ( 7.343 0.000 4.300) 8.510 4.208 ( 3.438 0.000 4.401) 5.585 4.313 ( -1.233 0.000 -0.145) 1.242 4.339 ( -0.759 0.000 -3.939) 4.012 4.363 ( 1.376 0.000 -7.343) 7.471 4.622 ( -5.337 0.000 -1.716) 5.606 4.696 ( -1.781 0.000 -6.887) 7.113 4.795 ( 2.164 0.000 1.162) 2.457 4.841 ( 0.290 0.000 -4.484) 4.493 4.915 ( 4.956 0.000 11.974) 12.959 4.976 ( 3.299 0.000 9.461) 10.020 5.011 ( 2.605 0.000 16.655) 16.857 5.035 ( -1.766 0.000 12.564) 12.687 5.378 ( 7.502 0.000 10.304) 12.746 5.540 ( -13.064 0.000 -10.778) 16.936 5.869 ( -7.188 0.000 2.267) 7.537 5.903 ( -3.360 0.000 -5.238) 6.223 6.134 ( -17.967 0.000 -9.848) 20.489 6.304 ( 2.086 0.000 -2.978) 3.636 6.523 ( -10.869 0.000 -0.608) 10.886 6.683 ( 7.327 0.000 -13.090) 15.001 6.866 ( 3.663 0.000 -2.287) 4.318 7.055 ( 0.489 0.000 5.747) 5.768 7.065 ( -5.919 0.000 -2.782) 6.541 7.327 ( -1.897 0.000 -3.898) 4.336 7.503 ( -4.272 0.000 -2.908) 5.168 7.570 ( 2.674 0.000 -4.747) 5.449 7.587 ( -4.344 0.000 1.738) 4.678 7.899 ( 0.970 0.000 -0.034) 0.970 8.166 ( 2.172 0.000 -2.907) 3.629 8.588 ( -0.609 0.000 5.637) 5.670 8.594 ( 3.151 0.000 6.817) 7.510 8.677 ( -2.318 0.000 -1.201) 2.611 8.766 ( 3.266 0.000 -10.589) 11.082 9.116 ( 6.935 0.000 -3.635) 7.829 10.660 ( -2.433 0.000 -0.947) 2.610 10.691 ( 0.834 0.000 -0.572) 1.012 10.932 ( -2.241 0.000 -0.182) 2.249 11.140 ( 0.137 0.000 2.070) 2.074 12.689 ( -2.052 0.000 0.920) 2.249 12.986 ( 0.362 0.000 -1.341) 1.389 13.093 ( -1.200 0.000 0.454) 1.283 13.276 ( 2.556 0.000 -3.265) 4.146 14.146 ( -2.549 0.000 5.857) 6.388 14.334 ( -4.171 0.000 6.673) 7.869 14.681 ( -0.161 0.000 -0.824) 0.840 14.934 ( 2.589 0.000 -1.304) 2.899 16.178 ( 3.482 0.000 -0.252) 3.491 16.754 ( 9.979 0.000 -11.621) 15.317 17.292 ( -1.851 0.000 2.077) 2.782 17.358 ( 2.895 0.000 -0.612) 2.959 21.178 ( 3.137 0.000 -0.355) 3.157 21.212 ( 2.872 0.000 -2.120) 3.570 21.642 ( 0.286 0.000 3.979) 3.989 21.956 ( 5.719 0.000 -2.507) 6.245 22.700 ( 1.899 0.000 -0.817) 2.068 22.813 ( -2.163 0.000 1.474) 2.618 22.888 ( 2.438 0.000 -3.605) 4.352 23.089 ( -0.400 0.000 1.995) 2.034 23.213 ( -0.316 0.000 4.059) 4.072 23.883 ( -3.205 0.000 -1.214) 3.427 24.371 ( 0.234 0.000 0.203) 0.310 24.858 ( 3.007 0.000 -0.897) 3.138 28.302 ( 0.931 0.000 0.250) 0.964 28.306 ( 1.558 0.000 -1.295) 2.025 28.332 ( 0.281 0.000 0.407) 0.494 28.382 ( -0.350 0.000 -0.807) 0.880 28.440 ( -1.407 0.000 -0.952) 1.699 28.608 ( 2.825 0.000 -4.047) 4.936 28.744 ( -0.704 0.000 2.103) 2.218 28.977 ( 2.503 0.000 2.512) 3.546 29.639 ( -0.663 0.000 1.867) 1.981 29.774 ( -0.181 0.000 -0.820) 0.839 29.837 ( -1.248 0.000 1.319) 1.816 29.879 ( -1.405 0.000 -0.971) 1.708 29.939 ( 0.782 0.000 0.015) 0.783 29.989 ( 0.689 0.000 -2.590) 2.680 30.692 ( 2.413 0.000 2.193) 3.261 30.731 ( 1.464 0.000 -2.565) 2.954 31.863 ( 3.358 0.000 -3.149) 4.603 32.364 ( 2.692 0.000 -3.813) 4.668 32.922 ( -31.081 0.000 21.792) 37.959 33.099 ( -8.847 0.000 7.200) 11.407 48.401 ( -0.275 0.000 -0.167) 0.322 48.456 ( 0.805 0.000 -0.030) 0.805 48.493 ( -2.644 0.000 2.194) 3.435 48.645 ( -1.220 0.000 -1.938) 2.290 72.849 ( 0.090 0.000 0.005) 0.090 72.883 ( 0.534 0.000 -0.851) 1.005 72.909 ( -0.206 0.000 -0.026) 0.207 72.923 ( 0.155 0.000 -0.052) 0.163 94.717 ( 1.046 0.000 0.477) 1.149 94.853 ( 1.508 0.000 -3.132) 3.477 95.015 ( -2.083 0.000 4.516) 4.973 96.224 ( -15.152 0.000 9.724) 18.004 96.546 ( 3.146 0.000 -3.678) 4.840 96.837 ( 1.292 0.000 -3.784) 3.998 97.084 ( -0.833 0.000 5.915) 5.974 97.878 ( 27.821 0.000 -24.631) 37.158 ======================= Grid point 52 (20/100) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -3.940 0.000 12.761) 13.356 1.585 ( 3.054 0.000 22.721) 22.925 2.602 ( 12.470 0.000 -5.509) 13.633 2.801 ( -5.849 0.000 -8.291) 10.146 2.928 ( -2.631 0.000 -5.364) 5.974 3.355 ( -4.068 0.000 -12.772) 13.405 3.483 ( 3.631 0.000 -17.408) 17.782 3.666 ( 0.112 0.000 -2.689) 2.692 3.833 ( -5.117 0.000 18.355) 19.055 3.945 ( -4.360 0.000 5.117) 6.723 4.292 ( -2.427 0.000 -1.542) 2.876 4.298 ( 1.528 0.000 6.758) 6.928 4.357 ( 5.772 0.000 -3.657) 6.833 4.373 ( 9.653 0.000 -1.865) 9.831 4.523 ( -2.415 0.000 -4.113) 4.769 4.569 ( -4.407 0.000 -9.495) 10.467 4.681 ( -9.895 0.000 -13.873) 17.040 4.841 ( 1.472 0.000 0.474) 1.546 4.975 ( -8.157 0.000 -0.800) 8.196 5.008 ( -2.631 0.000 3.762) 4.591 5.094 ( -0.466 0.000 17.066) 17.072 5.253 ( 5.294 0.000 16.431) 17.263 5.443 ( 4.555 0.000 18.372) 18.928 5.481 ( -8.361 0.000 -15.256) 17.397 5.747 ( -2.224 0.000 1.531) 2.700 5.836 ( -1.182 0.000 2.688) 2.937 5.867 ( 2.047 0.000 0.370) 2.080 6.327 ( -0.356 0.000 -3.508) 3.526 6.363 ( -3.769 0.000 5.479) 6.650 6.764 ( 9.686 0.000 -11.400) 14.960 6.964 ( 3.745 0.000 -3.619) 5.208 6.999 ( 6.288 0.000 -4.927) 7.989 7.066 ( -2.238 0.000 2.033) 3.024 7.254 ( -2.134 0.000 -4.869) 5.316 7.441 ( -5.789 0.000 8.865) 10.588 7.506 ( -3.693 0.000 -0.691) 3.757 7.593 ( 3.223 0.000 -5.317) 6.218 7.914 ( -0.532 0.000 1.287) 1.393 8.190 ( 1.949 0.000 -2.384) 3.079 8.588 ( -1.493 0.000 0.067) 1.495 8.589 ( -3.122 0.000 -1.677) 3.544 8.763 ( 4.289 0.000 12.466) 13.183 8.812 ( 5.568 0.000 -3.058) 6.352 9.192 ( 3.952 0.000 -2.644) 4.755 10.614 ( -1.245 0.000 -1.941) 2.306 10.709 ( 0.761 0.000 0.412) 0.865 10.887 ( -1.198 0.000 -1.896) 2.243 11.134 ( -1.485 0.000 0.453) 1.552 12.664 ( -1.045 0.000 0.815) 1.325 12.979 ( 0.094 0.000 -1.895) 1.897 13.082 ( -0.407 0.000 1.101) 1.174 13.296 ( 1.831 0.000 -3.323) 3.794 14.124 ( -3.239 0.000 4.214) 5.315 14.328 ( -1.809 0.000 6.137) 6.398 14.660 ( -0.674 0.000 -2.637) 2.721 14.962 ( 1.364 0.000 -1.858) 2.305 16.241 ( 2.300 0.000 1.429) 2.708 16.824 ( 5.217 0.000 -7.287) 8.962 17.271 ( -1.751 0.000 1.877) 2.567 17.408 ( 2.398 0.000 -0.163) 2.403 21.219 ( 1.390 0.000 -0.847) 1.627 21.243 ( 1.833 0.000 -2.109) 2.795 21.667 ( -0.834 0.000 4.271) 4.351 22.040 ( 4.169 0.000 0.004) 4.169 22.739 ( 2.222 0.000 0.126) 2.226 22.782 ( -1.872 0.000 2.006) 2.744 22.910 ( 2.325 0.000 -3.419) 4.135 23.082 ( -1.807 0.000 1.925) 2.640 23.232 ( -0.525 0.000 3.167) 3.210 23.831 ( -1.001 0.000 -2.355) 2.559 24.380 ( 0.452 0.000 0.551) 0.713 24.881 ( 0.593 0.000 -2.682) 2.747 28.314 ( 0.151 0.000 0.056) 0.161 28.331 ( 1.795 0.000 -1.031) 2.070 28.336 ( -0.118 0.000 0.059) 0.132 28.366 ( -0.623 0.000 -0.836) 1.043 28.434 ( 0.652 0.000 1.687) 1.808 28.634 ( 2.326 0.000 -2.118) 3.146 28.735 ( -1.241 0.000 0.679) 1.414 29.027 ( 1.134 0.000 2.212) 2.486 29.630 ( -1.284 0.000 0.986) 1.619 29.770 ( 0.437 0.000 -0.965) 1.060 29.816 ( -1.495 0.000 0.745) 1.670 29.860 ( -0.077 0.000 -0.715) 0.719 29.945 ( 0.040 0.000 -0.592) 0.593 29.979 ( 0.426 0.000 -3.223) 3.251 30.757 ( 2.321 0.000 -0.752) 2.440 30.766 ( 2.706 0.000 5.943) 6.530 31.898 ( 3.379 0.000 -6.300) 7.149 32.413 ( 3.739 0.000 -0.432) 3.764 32.557 ( -21.603 0.000 13.883) 25.679 32.961 ( -8.117 0.000 1.705) 8.294 48.398 ( 0.045 0.000 0.063) 0.077 48.456 ( -2.349 0.000 0.895) 2.514 48.464 ( 0.094 0.000 -0.205) 0.225 48.622 ( 0.192 0.000 -1.537) 1.549 72.850 ( 0.043 0.000 0.055) 0.070 72.886 ( 0.354 0.000 -0.477) 0.594 72.907 ( -0.057 0.000 0.028) 0.064 72.925 ( 0.088 0.000 -0.075) 0.116 94.733 ( 0.319 0.000 0.335) 0.463 94.856 ( 0.987 0.000 -2.763) 2.934 95.028 ( -0.339 0.000 5.571) 5.581 96.035 ( -9.586 0.000 2.471) 9.899 96.579 ( 2.215 0.000 -1.816) 2.864 96.839 ( 1.719 0.000 -4.109) 4.454 97.096 ( -2.450 0.000 6.371) 6.826 98.154 ( 16.953 0.000 -14.825) 22.521 ======================= Grid point 53 (21/100) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -9.243 0.000 11.744) 14.945 1.638 ( -15.075 0.000 24.052) 28.386 2.409 ( -24.109 0.000 -25.152) 34.841 2.776 ( 8.604 0.000 -3.693) 9.363 2.778 ( -5.180 0.000 -15.647) 16.482 3.190 ( -2.077 0.000 -5.232) 5.629 3.402 ( -0.125 0.000 -13.246) 13.246 3.666 ( 1.296 0.000 -2.935) 3.209 3.801 ( -7.148 0.000 14.722) 16.366 3.857 ( -5.421 0.000 3.468) 6.436 4.221 ( -2.796 0.000 -7.461) 7.968 4.291 ( -13.730 0.000 -12.875) 18.822 4.354 ( -2.049 0.000 0.949) 2.258 4.400 ( 0.523 0.000 -8.768) 8.784 4.429 ( -3.115 0.000 -8.540) 9.091 4.518 ( 3.056 0.000 0.506) 3.098 4.553 ( 3.889 0.000 -1.827) 4.297 4.818 ( -6.874 0.000 1.497) 7.035 4.857 ( 0.422 0.000 -1.232) 1.303 4.990 ( -0.772 0.000 1.857) 2.011 5.129 ( -9.057 0.000 -13.916) 16.603 5.167 ( -3.147 0.000 14.648) 14.983 5.397 ( -3.773 0.000 18.897) 19.270 5.699 ( 8.328 0.000 8.800) 12.116 5.827 ( 8.361 0.000 -1.796) 8.552 5.942 ( 8.629 0.000 0.641) 8.653 6.022 ( 9.259 0.000 12.684) 15.704 6.274 ( -1.724 0.000 -0.071) 1.726 6.433 ( 2.491 0.000 8.025) 8.403 6.857 ( 5.729 0.000 -7.243) 9.235 6.970 ( 1.620 0.000 -2.081) 2.637 7.009 ( -3.454 0.000 -1.512) 3.771 7.182 ( 12.789 0.000 -5.194) 13.804 7.199 ( 1.456 0.000 -6.934) 7.085 7.380 ( -8.440 0.000 11.641) 14.379 7.453 ( -0.709 0.000 -2.375) 2.479 7.611 ( 2.098 0.000 -4.550) 5.010 7.903 ( -0.622 0.000 0.302) 0.692 8.200 ( 0.675 0.000 -1.990) 2.102 8.525 ( -2.816 0.000 -0.055) 2.817 8.548 ( -1.214 0.000 -3.409) 3.618 8.884 ( 2.826 0.000 -2.207) 3.586 8.909 ( 0.947 0.000 12.872) 12.906 9.257 ( 3.732 0.000 2.770) 4.648 10.594 ( 0.657 0.000 -1.761) 1.879 10.708 ( -0.642 0.000 -1.319) 1.467 10.885 ( 1.759 0.000 0.151) 1.766 11.094 ( -2.343 0.000 -1.435) 2.748 12.663 ( 0.241 0.000 0.890) 0.922 12.967 ( 0.470 0.000 -2.721) 2.761 13.092 ( 0.339 0.000 1.717) 1.750 13.298 ( 0.812 0.000 -3.404) 3.499 14.092 ( -2.682 0.000 3.330) 4.276 14.339 ( -1.807 0.000 6.657) 6.898 14.626 ( -0.292 0.000 -4.031) 4.042 14.957 ( -0.323 0.000 -2.133) 2.158 16.270 ( -0.918 0.000 2.702) 2.854 16.868 ( 4.649 0.000 -6.574) 8.051 17.258 ( -0.641 0.000 1.332) 1.479 17.438 ( 0.373 0.000 0.751) 0.838 21.213 ( -1.271 0.000 -1.197) 1.746 21.246 ( -0.091 0.000 -1.931) 1.933 21.667 ( -2.293 0.000 4.204) 4.789 22.114 ( 2.731 0.000 2.395) 3.633 22.751 ( -0.328 0.000 0.899) 0.957 22.808 ( 1.999 0.000 2.305) 3.051 22.925 ( 1.795 0.000 -3.526) 3.956 23.051 ( -2.602 0.000 1.585) 3.047 23.234 ( -1.424 0.000 2.881) 3.214 23.817 ( 1.313 0.000 -2.140) 2.511 24.393 ( 0.137 0.000 1.268) 1.275 24.845 ( -1.602 0.000 -4.309) 4.597 28.310 ( -0.515 0.000 -0.141) 0.534 28.329 ( -0.473 0.000 -0.314) 0.567 28.339 ( -0.784 0.000 -0.549) 0.957 28.364 ( 1.458 0.000 -0.852) 1.689 28.483 ( 2.098 0.000 3.965) 4.486 28.668 ( 2.389 0.000 -0.875) 2.544 28.708 ( -1.542 0.000 -0.538) 1.633 29.052 ( 0.159 0.000 1.419) 1.428 29.610 ( -1.076 0.000 0.239) 1.102 29.776 ( 0.933 0.000 -1.284) 1.587 29.797 ( -0.768 0.000 0.588) 0.967 29.859 ( 0.326 0.000 -0.876) 0.935 29.934 ( -0.560 0.000 -1.019) 1.163 29.964 ( 0.449 0.000 -3.022) 3.055 30.797 ( 1.442 0.000 0.937) 1.720 30.882 ( 3.972 0.000 9.551) 10.343 31.898 ( 1.628 0.000 -6.631) 6.828 32.280 ( -16.042 0.000 8.311) 18.067 32.475 ( 1.273 0.000 2.301) 2.630 32.860 ( -0.810 0.000 -3.076) 3.181 48.403 ( 0.284 0.000 0.299) 0.413 48.415 ( -2.057 0.000 -0.620) 2.149 48.458 ( -0.480 0.000 -0.663) 0.818 48.633 ( 1.829 0.000 -0.940) 2.056 72.851 ( -0.051 0.000 0.075) 0.090 72.891 ( 0.472 0.000 -0.337) 0.580 72.908 ( 0.131 0.000 0.089) 0.159 72.926 ( 0.045 0.000 -0.125) 0.133 94.731 ( -0.752 0.000 0.245) 0.791 94.852 ( 0.529 0.000 -2.527) 2.582 95.072 ( -0.149 0.000 7.659) 7.660 95.887 ( -5.604 0.000 -4.418) 7.136 96.599 ( 0.763 0.000 -0.578) 0.957 96.842 ( 1.815 0.000 -4.584) 4.930 97.081 ( -3.620 0.000 6.074) 7.070 98.339 ( 11.761 0.000 -9.384) 15.046 ======================= Grid point 54 (22/100) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -13.263 0.000 13.083) 18.630 1.318 ( -32.158 0.000 5.217) 32.579 1.697 ( -34.125 0.000 -2.453) 34.213 2.578 ( -2.697 0.000 -14.327) 14.579 2.845 ( 2.435 0.000 -4.825) 5.405 3.206 ( 2.541 0.000 3.720) 4.505 3.320 ( -1.885 0.000 -4.733) 5.094 3.585 ( -9.225 0.000 -0.125) 9.226 3.809 ( -4.041 0.000 12.870) 13.489 3.818 ( -2.377 0.000 -4.460) 5.054 4.038 ( 5.063 0.000 -14.127) 15.007 4.087 ( -2.177 0.000 -10.574) 10.796 4.311 ( -3.643 0.000 -5.733) 6.792 4.312 ( -3.378 0.000 -7.796) 8.496 4.358 ( -2.007 0.000 6.115) 6.436 4.535 ( 0.565 0.000 -2.772) 2.829 4.551 ( -0.115 0.000 -2.189) 2.192 4.758 ( -2.205 0.000 6.707) 7.060 4.835 ( -0.910 0.000 -5.142) 5.222 4.944 ( -3.501 0.000 -8.204) 8.920 5.002 ( 0.716 0.000 0.770) 1.051 5.226 ( -0.715 0.000 12.594) 12.614 5.383 ( -9.652 0.000 15.908) 18.608 5.866 ( 4.995 0.000 4.034) 6.420 6.047 ( 15.854 0.000 -9.981) 18.734 6.099 ( 6.414 0.000 3.458) 7.287 6.249 ( -0.634 0.000 -0.643) 0.903 6.293 ( 7.229 0.000 13.550) 15.358 6.532 ( 1.608 0.000 9.125) 9.265 6.848 ( -2.369 0.000 -2.667) 3.567 6.925 ( -2.822 0.000 -5.297) 6.002 6.984 ( 0.628 0.000 -2.106) 2.198 7.234 ( 7.255 0.000 -8.533) 11.200 7.278 ( -9.202 0.000 8.999) 12.871 7.370 ( 9.133 0.000 -3.441) 9.760 7.444 ( 1.874 0.000 -3.529) 3.996 7.607 ( 0.760 0.000 -4.640) 4.702 7.911 ( 1.530 0.000 -0.149) 1.537 8.191 ( -0.110 0.000 -1.674) 1.678 8.486 ( -1.640 0.000 1.202) 2.033 8.501 ( -0.440 0.000 -5.007) 5.026 8.869 ( -1.691 0.000 -3.941) 4.288 8.956 ( -4.012 0.000 8.912) 9.773 9.388 ( 5.754 0.000 9.080) 10.749 10.614 ( 2.172 0.000 -0.955) 2.373 10.686 ( 0.232 0.000 -2.590) 2.601 10.935 ( 1.819 0.000 2.722) 3.274 11.027 ( -2.841 0.000 -3.475) 4.488 12.684 ( 1.179 0.000 1.252) 1.720 12.962 ( 1.192 0.000 -3.118) 3.338 13.113 ( 0.453 0.000 1.710) 1.769 13.281 ( -0.016 0.000 -3.340) 3.340 14.074 ( -1.648 0.000 3.844) 4.182 14.358 ( -1.363 0.000 8.919) 9.022 14.601 ( 0.808 0.000 -4.077) 4.156 14.926 ( -1.348 0.000 -1.817) 2.262 16.244 ( -3.645 0.000 2.661) 4.513 16.897 ( 4.097 0.000 -11.568) 12.272 17.266 ( 0.543 0.000 0.909) 1.059 17.427 ( -2.215 0.000 0.713) 2.327 21.163 ( -2.810 0.000 -1.249) 3.075 21.217 ( -1.460 0.000 -1.720) 2.256 21.641 ( -3.133 0.000 3.798) 4.924 22.172 ( 1.500 0.000 2.129) 2.604 22.768 ( 1.310 0.000 0.980) 1.636 22.850 ( 0.809 0.000 0.666) 1.047 22.923 ( 0.613 0.000 -4.096) 4.142 23.019 ( -1.541 0.000 1.660) 2.265 23.220 ( -2.274 0.000 3.276) 3.988 23.862 ( 4.270 0.000 1.541) 4.539 24.402 ( -0.454 0.000 2.274) 2.319 24.778 ( -1.750 0.000 -4.459) 4.790 28.295 ( -0.775 0.000 -0.368) 0.858 28.318 ( -0.915 0.000 -0.477) 1.032 28.318 ( -0.365 0.000 -0.232) 0.432 28.384 ( 1.011 0.000 -0.531) 1.142 28.556 ( 2.229 0.000 4.568) 5.083 28.671 ( -1.748 0.000 -1.099) 2.065 28.711 ( 2.375 0.000 -0.133) 2.378 29.042 ( -1.064 0.000 -4.055) 4.192 29.598 ( -0.336 0.000 0.426) 0.543 29.779 ( 0.347 0.000 -0.914) 0.978 29.804 ( 0.857 0.000 0.306) 0.909 29.854 ( -0.176 0.000 -0.896) 0.913 29.914 ( -0.666 0.000 -0.961) 1.169 29.960 ( 0.778 0.000 -1.553) 1.737 30.814 ( -0.408 0.000 1.087) 1.161 31.017 ( 3.710 0.000 0.839) 3.803 31.936 ( 3.707 0.000 18.095) 18.471 32.064 ( -11.533 0.000 4.977) 12.561 32.478 ( -1.092 0.000 -0.656) 1.275 32.902 ( 5.773 0.000 -0.423) 5.788 48.368 ( -2.096 0.000 -2.140) 2.996 48.412 ( 0.334 0.000 0.383) 0.508 48.440 ( -0.704 0.000 -0.708) 0.998 48.670 ( 2.395 0.000 -0.629) 2.476 72.850 ( -0.090 0.000 0.065) 0.111 72.898 ( 0.504 0.000 -0.612) 0.793 72.912 ( 0.193 0.000 0.101) 0.218 72.924 ( -0.073 0.000 -0.357) 0.364 94.712 ( -1.373 0.000 0.280) 1.402 94.843 ( 0.494 0.000 -2.599) 2.646 95.115 ( -1.786 0.000 9.317) 9.487 95.743 ( -4.561 0.000 -11.433) 12.309 96.598 ( -0.648 0.000 -0.062) 0.651 96.847 ( 2.164 0.000 -4.772) 5.240 97.047 ( -3.936 0.000 5.068) 6.417 98.460 ( 7.965 0.000 -12.793) 15.069 ======================= Grid point 55 (23/100) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -12.728 0.000 18.006) 22.051 0.578 ( -34.425 0.000 -6.701) 35.071 1.202 ( -33.788 0.000 39.617) 52.069 2.545 ( 4.539 0.000 1.516) 4.786 2.842 ( 1.585 0.000 -5.275) 5.508 3.275 ( -0.137 0.000 -1.104) 1.113 3.290 ( 2.887 0.000 1.381) 3.201 3.384 ( -8.701 0.000 -2.378) 9.020 3.759 ( 0.043 0.000 -1.955) 1.956 3.762 ( -7.374 0.000 10.821) 13.095 4.024 ( 0.326 0.000 -2.176) 2.200 4.140 ( 4.721 0.000 -11.929) 12.829 4.249 ( 5.919 0.000 -0.506) 5.941 4.330 ( 8.462 0.000 -1.454) 8.586 4.374 ( -0.267 0.000 5.285) 5.291 4.513 ( -1.547 0.000 -0.926) 1.803 4.546 ( 1.785 0.000 -3.587) 4.006 4.749 ( -2.223 0.000 -6.776) 7.131 4.799 ( 0.167 0.000 8.253) 8.254 4.872 ( -0.088 0.000 -8.489) 8.489 5.011 ( -0.039 0.000 -0.967) 0.968 5.275 ( -12.823 0.000 15.538) 20.146 5.293 ( -1.648 0.000 11.886) 12.000 5.945 ( 1.311 0.000 1.815) 2.239 6.142 ( 3.758 0.000 -9.225) 9.961 6.239 ( 3.952 0.000 -3.676) 5.398 6.282 ( 7.096 0.000 -1.306) 7.215 6.415 ( -2.031 0.000 4.169) 4.638 6.671 ( 8.367 0.000 14.792) 16.994 6.797 ( -1.147 0.000 0.678) 1.333 6.837 ( -0.750 0.000 -8.392) 8.425 6.950 ( -2.467 0.000 -0.059) 2.467 7.156 ( -10.240 0.000 8.847) 13.532 7.311 ( 5.499 0.000 -5.949) 8.101 7.475 ( 3.771 0.000 -2.976) 4.804 7.504 ( 8.236 0.000 0.565) 8.255 7.578 ( -0.288 0.000 -3.908) 3.919 7.949 ( 2.552 0.000 -1.621) 3.023 8.180 ( 0.061 0.000 -1.233) 1.235 8.477 ( 1.357 0.000 -2.284) 2.657 8.478 ( -0.487 0.000 1.714) 1.782 8.796 ( -2.772 0.000 -3.490) 4.457 8.895 ( -6.479 0.000 4.175) 7.708 9.592 ( 8.187 0.000 7.774) 11.290 10.642 ( 1.665 0.000 -1.834) 2.477 10.684 ( 1.254 0.000 -2.384) 2.694 10.932 ( -4.453 0.000 -5.215) 6.858 10.975 ( -0.008 0.000 3.266) 3.266 12.720 ( 1.155 0.000 2.121) 2.415 12.968 ( 1.582 0.000 -3.013) 3.403 13.128 ( 0.005 0.000 1.260) 1.260 13.257 ( 0.052 0.000 -3.199) 3.200 14.088 ( -0.549 0.000 5.998) 6.023 14.467 ( 7.309 0.000 16.041) 17.628 14.605 ( 2.096 0.000 -2.720) 3.434 14.890 ( -1.137 0.000 -1.065) 1.558 16.183 ( -3.843 0.000 1.298) 4.056 16.724 ( -15.275 0.000 -31.927) 35.393 17.286 ( 0.819 0.000 0.938) 1.245 17.364 ( -4.099 0.000 0.246) 4.107 21.106 ( -1.947 0.000 -0.877) 2.135 21.178 ( -1.193 0.000 -1.574) 1.975 21.609 ( -2.684 0.000 3.343) 4.287 22.154 ( -4.800 0.000 -7.989) 9.320 22.770 ( -2.715 0.000 -5.923) 6.516 22.836 ( -0.995 0.000 1.069) 1.460 22.896 ( -0.076 0.000 -4.193) 4.194 23.020 ( 0.320 0.000 1.485) 1.519 23.199 ( -2.499 0.000 4.125) 4.823 24.031 ( 10.673 0.000 4.487) 11.577 24.411 ( -0.775 0.000 3.778) 3.856 24.733 ( 0.045 0.000 -3.146) 3.146 28.280 ( -0.408 0.000 -0.567) 0.699 28.302 ( -0.418 0.000 -0.136) 0.440 28.313 ( -0.133 0.000 0.101) 0.167 28.394 ( 0.432 0.000 -0.458) 0.630 28.601 ( -0.657 0.000 -0.996) 1.194 28.650 ( 0.228 0.000 3.799) 3.806 28.750 ( 1.202 0.000 -0.355) 1.254 28.868 ( -11.761 0.000 -17.864) 21.388 29.603 ( 0.156 0.000 1.037) 1.049 29.784 ( 0.591 0.000 -0.186) 0.620 29.821 ( 0.629 0.000 -0.026) 0.630 29.871 ( 2.275 0.000 3.645) 4.297 29.901 ( -0.128 0.000 -0.392) 0.412 29.969 ( 0.821 0.000 -0.710) 1.085 30.799 ( -1.420 0.000 -0.127) 1.426 30.881 ( -10.733 0.000 -18.519) 21.405 31.913 ( -7.129 0.000 2.978) 7.726 32.444 ( -0.295 0.000 -4.842) 4.851 32.760 ( 59.902 0.000 85.015) 103.998 33.030 ( 5.090 0.000 5.213) 7.286 48.315 ( -1.386 0.000 1.005) 1.712 48.419 ( 0.102 0.000 0.242) 0.263 48.427 ( -0.264 0.000 -0.246) 0.361 48.705 ( 1.531 0.000 -0.814) 1.734 72.848 ( -0.074 0.000 0.029) 0.080 72.888 ( -1.345 0.000 -2.605) 2.932 72.916 ( 0.107 0.000 0.061) 0.123 72.918 ( -0.110 0.000 -0.220) 0.246 94.689 ( -1.079 0.000 0.397) 1.150 94.837 ( 0.894 0.000 -2.923) 3.057 95.124 ( -4.117 0.000 9.206) 10.085 95.537 ( -7.006 0.000 -10.091) 12.284 96.579 ( -1.065 0.000 0.180) 1.080 96.859 ( 2.163 0.000 -4.116) 4.650 97.011 ( -2.733 0.000 3.851) 4.722 98.289 ( -17.430 0.000 -40.011) 43.643 ======================= Grid point 56 (24/100) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 10.438 12.355 23.582) 28.595 1.039 ( -0.226 24.230 25.941) 35.497 1.576 ( -2.803 46.524 23.575) 52.231 2.718 ( 8.077 -1.508 13.059) 15.428 2.923 ( 0.807 -0.237 1.373) 1.610 3.183 ( 0.181 -4.322 1.519) 4.585 3.248 ( -1.296 9.846 -5.877) 11.539 3.434 ( 1.221 7.919 -3.484) 8.737 3.723 ( 2.205 -6.554 1.892) 7.169 3.779 ( -0.657 2.689 6.682) 7.233 4.028 ( -1.398 -4.582 4.180) 6.358 4.060 ( 5.041 -3.808 7.032) 9.453 4.214 ( 4.475 -8.837 -7.021) 12.142 4.321 ( 3.548 -8.479 0.550) 9.208 4.494 ( 8.477 -0.711 -3.587) 9.232 4.522 ( 6.702 -5.443 -1.867) 8.834 4.657 ( -3.898 1.235 1.017) 4.214 4.739 ( -0.995 4.696 -2.178) 5.272 4.895 ( 0.361 5.804 5.542) 8.033 4.995 ( -3.563 0.374 1.982) 4.094 5.040 ( 0.335 15.468 -10.137) 18.497 5.130 ( -6.082 2.724 8.397) 10.720 5.523 ( -5.137 12.673 8.700) 16.208 5.972 ( -1.919 1.123 -6.921) 7.269 6.137 ( -0.812 2.107 -10.036) 10.287 6.201 ( -4.365 -6.577 -8.075) 11.293 6.313 ( -0.015 5.253 -3.792) 6.479 6.401 ( 1.500 -1.817 -2.222) 3.239 6.621 ( 4.245 -6.492 -4.036) 8.744 6.706 ( -0.975 -7.892 8.143) 11.382 6.935 ( -5.499 -7.623 9.287) 13.213 7.015 ( -2.572 1.802 1.456) 3.461 7.117 ( 6.464 0.689 -1.886) 6.769 7.266 ( -1.634 2.469 4.053) 5.019 7.332 ( 2.902 -2.225 -2.861) 4.643 7.536 ( 0.639 -2.825 -2.092) 3.573 7.953 ( 0.329 -0.890 -4.164) 4.270 8.039 ( 11.404 4.508 -8.579) 14.966 8.154 ( -0.694 -1.819 0.514) 2.014 8.421 ( 0.758 -7.086 -4.056) 8.200 8.592 ( 5.044 -0.718 0.883) 5.171 8.703 ( 1.060 -3.148 4.926) 5.941 8.817 ( -6.111 3.294 -2.568) 7.402 9.414 ( -14.204 -0.266 -13.887) 19.866 10.693 ( 1.037 0.208 -1.997) 2.260 10.703 ( 2.844 -2.408 4.986) 6.224 10.846 ( 2.442 -1.148 -2.429) 3.630 10.957 ( -1.413 -2.114 2.363) 3.471 12.773 ( -0.658 2.888 1.921) 3.530 12.981 ( 1.713 0.201 -1.851) 2.530 13.181 ( -0.395 2.047 -0.557) 2.158 13.240 ( 1.107 -0.292 -3.222) 3.420 14.108 ( -0.869 -0.003 6.370) 6.429 14.474 ( -6.663 -10.247 13.322) 18.079 14.661 ( 2.225 1.928 -1.139) 3.157 14.876 ( 0.433 -0.022 -0.841) 0.946 16.115 ( 1.787 1.033 0.399) 2.103 16.259 ( 0.758 3.508 -5.221) 6.335 17.307 ( 0.165 0.227 1.295) 1.325 17.322 ( -1.318 0.377 0.597) 1.495 21.137 ( 0.739 4.810 -0.708) 4.917 21.410 ( 3.891 9.845 -11.119) 15.353 21.624 ( -0.814 3.255 2.393) 4.121 21.869 ( -7.577 1.323 0.734) 7.727 22.680 ( -0.376 0.863 -0.074) 0.944 22.786 ( -0.565 -2.448 -0.533) 2.568 22.949 ( 1.157 3.673 -1.490) 4.129 23.053 ( -0.197 -0.047 1.036) 1.055 23.320 ( -1.579 7.962 -3.696) 8.919 23.988 ( -3.317 -7.905 2.440) 8.914 24.380 ( -1.037 -0.242 0.703) 1.276 24.710 ( 2.351 -2.945 -1.414) 4.025 28.267 ( -0.107 -0.599 -0.725) 0.947 28.284 ( -0.121 -0.589 -0.164) 0.623 28.344 ( 0.044 1.406 -0.147) 1.414 28.389 ( 0.124 -0.502 -0.505) 0.723 28.533 ( -1.005 -0.476 -2.690) 2.911 28.555 ( -1.404 0.432 -1.553) 2.138 28.686 ( 0.390 -0.795 3.918) 4.017 28.799 ( 1.032 -0.926 2.573) 2.922 29.636 ( 0.345 2.490 0.864) 2.658 29.812 ( -0.118 -0.951 -0.299) 1.004 29.850 ( -0.764 0.994 -0.326) 1.295 29.897 ( 0.536 -0.346 0.660) 0.918 29.958 ( -0.237 -0.797 -1.291) 1.536 30.382 ( 6.204 3.007 -11.265) 13.207 30.622 ( -4.756 21.461 -22.601) 31.528 30.951 ( -4.055 11.863 -4.909) 13.464 31.841 ( -2.405 0.438 1.278) 2.759 32.360 ( -0.016 -4.070 -6.281) 7.485 33.076 ( 1.321 -5.825 14.032) 15.250 33.595 ( -0.372 -31.154 31.287) 44.154 48.357 ( 1.831 -2.395 2.669) 4.027 48.411 ( 2.488 -2.366 2.502) 4.248 48.467 ( 0.177 2.110 -0.294) 2.137 48.699 ( -0.045 -1.136 -1.314) 1.738 72.842 ( 0.138 -0.032 0.047) 0.150 72.853 ( 0.121 0.155 -0.375) 0.424 72.914 ( -0.036 -0.205 -0.003) 0.208 72.915 ( 0.066 -0.249 -0.031) 0.259 94.700 ( -0.188 1.768 0.578) 1.869 94.856 ( 1.716 1.664 -3.180) 3.978 95.078 ( -5.024 -1.108 7.023) 8.706 95.738 ( 37.876 -16.899 9.197) 42.482 96.573 ( -2.381 -1.211 2.299) 3.525 96.791 ( -11.594 -4.261 7.121) 14.258 96.889 ( -4.066 -4.468 2.466) 6.526 97.050 ( -8.434 -3.424 2.404) 9.414 ======================= Grid point 57 (25/100) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 10.951 14.044 21.095) 27.607 1.317 ( 8.079 40.022 9.294) 41.874 1.910 ( 17.940 19.942 27.110) 38.137 2.920 ( 3.511 1.688 5.352) 6.619 2.999 ( 5.368 1.202 5.571) 7.829 3.170 ( -0.591 7.944 -2.359) 8.308 3.309 ( 8.740 -2.015 3.419) 9.598 3.508 ( 7.102 2.867 0.820) 7.702 3.752 ( 1.451 -1.187 -1.056) 2.151 3.842 ( 0.355 -0.899 7.565) 7.626 4.030 ( 0.622 -2.956 0.754) 3.114 4.170 ( -0.106 -9.482 1.070) 9.543 4.277 ( 6.567 -0.703 3.463) 7.457 4.400 ( 1.597 -6.833 2.278) 7.378 4.596 ( -4.073 -0.812 5.506) 6.896 4.623 ( 3.970 -8.278 -0.831) 9.218 4.647 ( 7.832 -0.167 -1.489) 7.974 4.749 ( 2.459 -0.529 4.200) 4.896 4.894 ( -4.663 0.897 11.249) 12.211 4.991 ( 0.085 8.809 -3.876) 9.624 5.007 ( 2.556 8.437 4.493) 9.895 5.090 ( -2.270 4.985 3.347) 6.420 5.472 ( -4.227 12.469 4.236) 13.831 5.876 ( -4.809 2.901 -8.215) 9.952 5.956 ( -8.716 -5.091 -9.364) 13.769 6.058 ( -3.908 0.204 -8.193) 9.079 6.295 ( -0.511 3.699 -1.890) 4.186 6.337 ( -4.595 -4.984 -7.521) 10.125 6.641 ( -4.713 -3.359 0.729) 5.833 6.691 ( 2.274 -3.088 -5.785) 6.941 6.909 ( -4.611 -0.709 9.263) 10.371 6.946 ( -1.772 0.456 -1.088) 2.129 7.228 ( 2.886 -7.817 -2.245) 8.630 7.278 ( 0.813 3.013 4.211) 5.241 7.360 ( 1.744 -3.502 -1.119) 4.069 7.534 ( 0.289 -3.202 -1.282) 3.461 7.883 ( -3.234 -0.687 -6.288) 7.104 7.997 ( -9.184 6.104 -7.149) 13.142 8.142 ( 1.702 -0.988 -2.966) 3.560 8.449 ( 4.834 -4.461 -3.466) 7.435 8.600 ( -3.383 -0.353 3.903) 5.177 8.702 ( -2.389 1.381 -1.946) 3.377 8.865 ( 6.015 -2.890 2.682) 7.193 9.063 ( -4.497 7.129 -14.246) 16.553 10.690 ( -0.651 0.033 -1.309) 1.462 10.710 ( -1.545 -0.216 1.303) 2.033 10.928 ( -0.851 -3.373 -0.401) 3.502 10.988 ( 5.398 -5.980 3.807) 8.910 12.754 ( -2.252 2.776 1.177) 3.764 12.998 ( 1.007 0.871 -1.138) 1.752 13.146 ( -2.358 1.873 -0.012) 3.012 13.252 ( 2.404 0.002 -3.053) 3.886 14.136 ( -1.040 0.213 6.438) 6.525 14.376 ( -8.569 -3.527 9.237) 13.084 14.692 ( 1.343 1.631 -0.409) 2.152 14.896 ( 2.232 0.117 -0.956) 2.431 16.138 ( 1.463 0.816 -0.547) 1.762 16.463 ( 16.655 -5.879 -8.164) 19.458 17.309 ( -0.116 0.349 0.841) 0.918 17.329 ( 0.998 0.504 0.602) 1.270 21.146 ( 0.642 4.054 0.066) 4.105 21.385 ( 2.112 11.746 -7.664) 14.184 21.623 ( -0.981 2.014 4.274) 4.825 21.876 ( 5.433 1.560 -1.979) 5.989 22.687 ( 1.097 0.824 -0.963) 1.676 22.780 ( 0.285 -2.338 -0.662) 2.446 22.956 ( 0.638 4.526 -1.395) 4.779 23.061 ( 0.275 -1.155 0.967) 1.531 23.268 ( -2.507 5.873 1.694) 6.607 23.912 ( -4.711 -4.937 1.113) 6.915 24.371 ( -0.103 0.184 -0.198) 0.289 24.762 ( 3.527 -3.133 -0.598) 4.755 28.265 ( 0.587 -1.085 -0.541) 1.347 28.285 ( 0.509 -0.412 -0.286) 0.714 28.343 ( -0.019 0.955 -0.151) 0.967 28.387 ( -0.011 -0.270 -0.545) 0.609 28.489 ( -1.992 0.086 -1.826) 2.704 28.568 ( 3.240 -0.148 -3.392) 4.694 28.715 ( -0.047 -1.459 2.958) 3.299 28.842 ( 1.113 -3.292 3.826) 5.169 29.651 ( 0.372 2.079 1.353) 2.509 29.803 ( -0.400 -0.076 -0.703) 0.812 29.836 ( -0.695 0.430 0.427) 0.923 29.910 ( 0.242 -0.372 0.383) 0.586 29.932 ( -1.347 -0.101 -1.336) 1.900 30.332 ( -0.005 19.624 -17.638) 26.386 30.468 ( -2.476 -3.433 3.142) 5.271 30.918 ( 1.533 9.701 -3.983) 10.598 31.838 ( 1.644 0.895 -0.518) 1.942 32.323 ( 0.769 -3.901 -5.503) 6.789 33.126 ( -5.371 -3.890 12.446) 14.103 33.350 ( -32.271 -9.928 24.397) 41.656 48.379 ( 0.167 -1.736 0.631) 1.855 48.466 ( 0.778 -1.164 0.630) 1.536 48.474 ( -0.099 -0.380 2.108) 2.144 48.675 ( -1.164 -0.917 -1.779) 2.316 72.845 ( 0.152 -0.138 -0.005) 0.206 72.868 ( 1.217 -0.336 -0.742) 1.464 72.911 ( -0.241 -0.265 -0.039) 0.361 72.917 ( 0.103 -0.254 0.008) 0.274 94.706 ( 0.399 1.239 0.496) 1.393 94.870 ( 2.058 2.270 -3.254) 4.470 95.031 ( -4.111 -0.892 5.208) 6.695 96.297 ( -3.949 -22.021 10.430) 24.684 96.488 ( 2.285 1.585 -3.440) 4.424 96.830 ( 1.098 -1.537 -0.848) 2.070 97.019 ( 6.419 -3.575 3.670) 8.213 97.084 ( 29.363 -12.218 -9.910) 33.312 ======================= Grid point 58 (26/100) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 9.992 20.802 12.601) 26.293 1.484 ( 5.720 39.028 12.227) 41.296 2.381 ( 15.365 5.240 6.828) 17.612 2.927 ( -1.168 8.281 -3.515) 9.072 3.160 ( 1.238 8.414 -1.670) 8.667 3.222 ( 9.929 0.108 5.390) 11.298 3.485 ( 6.857 -4.445 0.201) 8.174 3.675 ( 7.517 1.008 5.968) 9.650 3.808 ( 4.132 -0.711 -2.812) 5.048 3.859 ( -3.534 0.572 6.559) 7.472 4.020 ( -2.959 -6.640 1.981) 7.535 4.161 ( 0.829 -7.818 -4.134) 8.883 4.346 ( 0.531 -2.654 -3.883) 4.734 4.418 ( -0.950 0.728 0.255) 1.224 4.575 ( -2.245 -4.292 5.332) 7.204 4.652 ( -0.413 -5.595 3.562) 6.646 4.730 ( 1.839 -2.458 -1.018) 3.234 4.822 ( 1.291 -1.715 -2.852) 3.570 4.974 ( 0.707 -0.405 12.584) 12.611 5.002 ( 2.451 5.545 7.387) 9.556 5.079 ( -0.357 4.072 1.272) 4.281 5.158 ( 7.167 7.935 11.913) 16.008 5.465 ( 0.877 8.526 2.218) 8.853 5.609 ( -10.900 4.294 -8.575) 14.518 5.836 ( -1.988 -2.931 -3.369) 4.889 5.910 ( -8.638 -0.712 -3.437) 9.324 6.078 ( -12.120 -1.831 -7.755) 14.504 6.314 ( 1.985 2.790 -2.923) 4.502 6.481 ( -9.183 -3.103 -1.330) 9.785 6.727 ( 4.450 1.834 -8.298) 9.593 6.886 ( 2.141 0.227 0.849) 2.314 6.970 ( 2.838 0.578 -2.495) 3.823 7.218 ( -4.282 5.667 5.034) 8.705 7.284 ( -0.067 -3.976 -3.851) 5.535 7.401 ( 1.765 -4.927 1.305) 5.394 7.515 ( -1.284 -3.445 -1.158) 3.854 7.709 ( -8.497 5.654 -5.748) 11.714 7.866 ( -0.852 -3.107 -0.294) 3.235 8.162 ( 2.461 -0.099 -2.966) 3.856 8.537 ( 5.139 -2.936 -0.074) 5.919 8.582 ( -1.933 -0.644 4.199) 4.667 8.666 ( -1.141 0.076 -0.719) 1.350 8.871 ( 1.747 5.314 -5.164) 7.613 9.080 ( 5.604 -2.902 -3.867) 7.402 10.649 ( -2.056 -0.506 -0.994) 2.339 10.715 ( 0.975 1.652 0.100) 1.921 10.886 ( -2.299 -3.750 -1.362) 4.605 11.078 ( 1.438 -5.017 3.040) 6.039 12.716 ( -2.141 2.450 0.628) 3.314 13.001 ( 0.017 1.083 -0.939) 1.433 13.108 ( -1.592 1.202 0.372) 2.029 13.280 ( 2.501 0.168 -2.953) 3.873 14.147 ( -2.404 0.235 5.617) 6.114 14.316 ( -3.673 -1.554 6.488) 7.616 14.701 ( 0.198 1.800 -1.171) 2.157 14.936 ( 2.610 0.145 -1.399) 2.965 16.183 ( 3.301 0.502 -0.186) 3.344 16.638 ( 7.710 -8.823 -6.781) 13.538 17.312 ( -0.579 1.251 1.323) 1.911 17.365 ( 2.573 0.484 -0.270) 2.632 21.167 ( 1.220 2.416 0.409) 2.737 21.397 ( 3.476 10.851 -5.759) 12.767 21.647 ( -0.260 1.260 5.167) 5.325 21.969 ( 5.456 1.171 -2.221) 6.006 22.704 ( 1.386 0.275 -0.787) 1.618 22.783 ( 0.178 -1.108 0.077) 1.125 22.955 ( 0.575 4.315 -1.894) 4.748 23.073 ( -0.012 -1.434 1.146) 1.836 23.251 ( -1.443 3.404 3.720) 5.245 23.841 ( -2.991 -3.830 -0.559) 4.892 24.372 ( 0.462 0.305 -0.319) 0.639 24.821 ( 2.910 -3.441 -1.079) 4.634 28.283 ( 1.595 -1.234 -0.534) 2.086 28.296 ( 0.771 -0.713 -0.224) 1.074 28.342 ( 0.035 0.374 -0.148) 0.404 28.379 ( -0.432 -0.184 -0.589) 0.753 28.447 ( -1.307 0.689 -0.562) 1.581 28.601 ( 2.658 -0.516 -3.250) 4.230 28.724 ( -0.730 -1.829 1.805) 2.672 28.884 ( 0.484 -6.215 3.400) 7.101 29.664 ( -0.139 2.196 1.330) 2.571 29.793 ( -0.241 0.787 -0.231) 0.855 29.827 ( -0.765 -0.149 0.723) 1.063 29.889 ( -1.308 0.418 -1.209) 1.829 29.921 ( 0.191 -0.449 0.114) 0.501 30.238 ( 0.247 15.980 -10.271) 18.997 30.477 ( -0.098 -7.301 4.858) 8.770 30.933 ( 2.499 8.964 -2.393) 9.609 31.883 ( 3.972 1.653 -3.099) 5.302 32.322 ( 2.356 -3.749 -3.047) 5.375 32.927 ( -26.448 0.242 19.451) 32.832 33.067 ( -8.882 -2.769 7.199) 11.764 48.383 ( -0.010 -1.161 0.355) 1.214 48.469 ( -1.590 -1.840 2.053) 3.182 48.479 ( 0.453 1.615 -0.072) 1.679 48.639 ( -1.059 -0.579 -1.871) 2.227 72.849 ( 0.234 0.044 0.010) 0.239 72.879 ( 0.519 -0.325 -0.658) 0.899 72.906 ( -0.189 -0.315 -0.020) 0.368 72.919 ( 0.047 -0.378 -0.019) 0.382 94.719 ( 0.544 0.356 0.368) 0.747 94.884 ( 1.590 2.413 -3.138) 4.266 95.006 ( -1.949 -0.378 4.577) 4.989 96.153 ( -12.042 -7.136 8.088) 16.167 96.541 ( 3.940 0.136 -3.638) 5.364 96.827 ( 1.018 -1.099 -3.120) 3.461 97.063 ( -0.524 -1.883 5.215) 5.569 97.613 ( 27.210 -20.539 -14.963) 37.231 ======================= Grid point 59 (27/100) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.973 41.348 3.275) 41.489 1.748 ( 4.066 18.633 21.595) 28.811 2.570 ( 4.489 -3.374 -6.960) 8.943 2.857 ( -1.883 11.443 -5.037) 12.644 3.170 ( -0.158 14.726 -4.136) 15.297 3.243 ( -3.186 -4.023 -17.392) 18.133 3.586 ( 5.233 1.572 -4.897) 7.337 3.758 ( -3.995 5.960 -4.702) 8.579 3.809 ( -4.186 -4.552 9.274) 11.147 3.878 ( 4.357 -9.268 1.760) 10.391 3.955 ( -5.755 -8.303 3.133) 10.577 4.226 ( 4.529 -5.827 4.004) 8.396 4.303 ( 0.603 -4.504 -7.793) 9.021 4.367 ( -3.642 -1.829 1.715) 4.422 4.551 ( -4.826 -3.153 -2.517) 6.290 4.631 ( -2.825 1.250 -1.218) 3.320 4.691 ( -1.358 0.340 -9.203) 9.309 4.777 ( -1.116 -2.419 -0.296) 2.680 5.039 ( -5.338 3.029 -0.277) 6.144 5.057 ( -0.819 2.288 2.183) 3.266 5.105 ( 2.834 1.196 10.285) 10.735 5.363 ( -0.858 6.928 7.350) 10.137 5.468 ( 0.967 2.521 -2.184) 3.472 5.517 ( 0.998 3.511 6.851) 7.763 5.703 ( 0.097 -1.040 5.889) 5.981 5.870 ( 4.449 1.465 1.732) 4.994 5.923 ( -3.562 6.086 -0.109) 7.053 6.322 ( -4.366 -2.871 2.839) 5.947 6.347 ( 1.533 2.224 -3.187) 4.178 6.768 ( 5.832 0.279 -6.622) 8.829 6.939 ( 2.683 -3.000 -3.238) 5.165 7.033 ( 4.514 4.220 -2.107) 6.529 7.144 ( -2.553 2.496 -1.625) 3.923 7.281 ( 1.889 4.288 -3.041) 5.586 7.413 ( -3.161 -1.930 5.859) 6.932 7.491 ( -0.677 -4.371 -1.741) 4.753 7.562 ( -3.353 -0.277 -2.342) 4.099 7.869 ( -0.385 -3.978 1.525) 4.278 8.190 ( 2.182 0.283 -2.192) 3.106 8.547 ( -2.625 -2.300 0.549) 3.533 8.590 ( -0.256 -0.440 -1.895) 1.962 8.714 ( 4.629 -1.640 6.881) 8.454 8.913 ( 3.317 5.044 -0.716) 6.079 9.135 ( 3.101 -4.920 -2.789) 6.450 10.608 ( -1.133 -0.345 -1.853) 2.199 10.729 ( 0.006 1.474 -0.690) 1.627 10.847 ( -0.043 -3.110 -0.683) 3.184 11.094 ( -1.090 -3.441 1.370) 3.861 12.690 ( -0.948 2.311 0.541) 2.556 12.987 ( -0.306 0.604 -1.688) 1.819 13.095 ( -0.397 1.182 1.062) 1.638 13.299 ( 1.690 0.149 -3.111) 3.543 14.127 ( -3.079 0.390 4.206) 5.227 14.311 ( -1.785 -1.426 5.814) 6.246 14.685 ( -0.320 2.291 -2.673) 3.535 14.964 ( 1.350 0.071 -1.971) 2.390 16.244 ( 2.228 0.217 1.193) 2.536 16.695 ( 3.278 -9.894 -4.699) 11.434 17.306 ( -0.935 2.267 1.321) 2.786 17.411 ( 2.107 0.173 0.032) 2.114 21.187 ( 0.420 1.290 0.181) 1.369 21.418 ( 2.590 9.540 -5.448) 11.287 21.674 ( -1.004 1.709 5.635) 5.973 22.049 ( 3.876 0.834 -0.083) 3.965 22.726 ( 1.157 -1.025 -0.123) 1.551 22.789 ( 0.091 1.062 1.495) 1.836 22.954 ( 0.972 3.239 -2.692) 4.323 23.072 ( -0.954 -0.739 1.400) 1.848 23.255 ( -0.987 2.176 3.543) 4.274 23.795 ( -0.989 -3.328 -1.613) 3.828 24.382 ( 0.585 0.291 0.084) 0.659 24.843 ( 0.656 -3.519 -2.699) 4.483 28.305 ( 0.256 -0.810 0.016) 0.850 28.313 ( 1.491 -1.070 -0.498) 1.902 28.342 ( 0.324 0.098 -0.435) 0.551 28.362 ( -0.814 -0.321 -0.650) 1.090 28.441 ( 0.369 0.680 1.521) 1.707 28.628 ( 2.265 -0.621 -2.206) 3.222 28.714 ( -1.076 -1.863 0.639) 2.244 28.902 ( -0.838 -8.618 2.445) 8.998 29.662 ( -0.785 2.802 0.695) 2.992 29.790 ( -0.278 0.894 0.491) 1.057 29.819 ( -0.299 0.137 0.417) 0.532 29.872 ( 0.221 0.757 -0.155) 0.804 29.923 ( -0.008 -0.732 -0.439) 0.853 30.186 ( 1.132 12.683 -8.857) 15.511 30.529 ( 1.259 -6.219 6.749) 9.263 30.986 ( 3.626 8.845 1.646) 9.700 31.930 ( 4.073 2.622 -6.182) 7.854 32.362 ( 1.838 -4.026 1.052) 4.549 32.604 ( -18.534 3.490 11.023) 21.845 32.932 ( -8.044 -2.542 2.009) 8.672 48.385 ( -0.019 -0.887 0.343) 0.952 48.444 ( -2.106 -1.068 1.073) 2.593 48.485 ( 0.259 1.559 -0.518) 1.663 48.618 ( 0.224 -0.361 -1.500) 1.559 72.853 ( 0.116 0.254 0.041) 0.282 72.882 ( 0.284 -0.342 -0.392) 0.592 72.904 ( -0.011 -0.252 0.017) 0.253 72.919 ( 0.015 -0.533 -0.056) 0.536 94.730 ( 0.237 -0.136 0.397) 0.482 94.885 ( 0.760 2.064 -2.786) 3.550 95.020 ( -0.267 -0.089 5.276) 5.284 95.992 ( -8.430 -4.222 1.436) 9.537 96.583 ( 2.372 0.511 -1.696) 2.961 96.828 ( 1.510 -1.072 -3.614) 4.061 97.076 ( -2.101 -1.733 5.575) 6.204 97.912 ( 14.793 -20.196 -10.835) 27.279 ======================= Grid point 60 (28/100) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -6.032 39.775 3.259) 40.362 1.827 ( -13.150 20.833 22.067) 33.074 2.348 ( -17.488 -3.019 -21.764) 28.082 2.833 ( -6.615 6.667 -13.385) 16.351 2.911 ( 2.114 7.688 -12.995) 15.246 3.230 ( 2.853 7.877 -1.335) 8.483 3.593 ( -0.569 10.814 -8.484) 13.756 3.664 ( -4.602 -1.907 1.339) 5.158 3.777 ( -4.570 -2.803 10.589) 11.868 3.839 ( -4.928 -2.371 -1.939) 5.802 3.930 ( 0.903 -16.037 -2.695) 16.287 4.162 ( -9.211 -9.121 -11.721) 17.476 4.272 ( -0.656 -3.995 -1.126) 4.202 4.319 ( -3.385 -7.265 -3.194) 8.628 4.352 ( -3.916 -2.962 -8.749) 10.033 4.567 ( -3.876 -0.693 0.123) 3.939 4.697 ( 1.133 3.977 2.667) 4.921 4.765 ( -0.539 -3.109 -3.995) 5.091 4.896 ( -4.531 6.596 -5.646) 9.794 5.053 ( -0.803 3.072 0.369) 3.196 5.174 ( -0.492 0.112 4.852) 4.879 5.262 ( -3.435 9.241 -2.547) 10.182 5.468 ( -1.144 6.890 14.018) 15.662 5.818 ( 6.695 5.741 5.595) 10.444 5.840 ( 9.713 2.813 2.308) 10.372 5.915 ( 6.353 -1.627 8.224) 10.518 6.028 ( 7.966 1.764 5.994) 10.124 6.295 ( -0.925 1.543 3.171) 3.646 6.403 ( 3.040 -1.263 3.927) 5.124 6.838 ( 4.423 -1.849 -4.543) 6.605 6.966 ( 2.198 -0.956 -1.870) 3.040 7.005 ( -2.686 -0.126 -2.373) 3.586 7.169 ( 3.689 1.226 -4.406) 5.876 7.275 ( 0.353 2.488 -5.326) 5.889 7.368 ( -6.832 -0.980 8.386) 10.861 7.500 ( 4.362 4.848 -0.451) 6.537 7.545 ( 2.581 -5.958 -4.121) 7.690 7.867 ( -0.276 -3.231 0.791) 3.338 8.203 ( 0.539 0.549 -1.871) 2.023 8.506 ( -1.655 -1.267 0.207) 2.095 8.562 ( -0.270 1.458 -3.561) 3.857 8.856 ( 3.635 -2.941 8.228) 9.464 8.928 ( -1.825 1.059 -1.208) 2.432 9.192 ( 3.871 -5.446 2.195) 7.033 10.589 ( 0.720 -0.326 -1.684) 1.861 10.702 ( -0.870 -0.791 -2.708) 2.953 10.881 ( 2.204 -0.088 2.016) 2.989 11.064 ( -2.413 -2.483 -0.201) 3.468 12.689 ( 0.474 2.425 0.635) 2.551 12.972 ( 0.350 0.292 -2.665) 2.704 13.104 ( 0.302 1.126 1.638) 2.010 13.299 ( 0.660 0.032 -3.255) 3.322 14.098 ( -2.592 0.653 3.405) 4.329 14.320 ( -1.770 -1.592 6.256) 6.694 14.657 ( -0.174 2.708 -3.786) 4.658 14.958 ( -0.325 -0.029 -2.300) 2.323 16.268 ( -1.149 -0.229 2.260) 2.545 16.715 ( 2.225 -11.425 -4.471) 12.469 17.298 ( -0.720 2.443 0.901) 2.702 17.436 ( 0.016 -0.203 0.853) 0.877 21.180 ( -1.152 1.190 -0.105) 1.660 21.415 ( 1.004 8.905 -5.217) 10.369 21.680 ( -2.473 2.245 5.396) 6.346 22.113 ( 2.032 -0.019 2.016) 2.863 22.740 ( 0.311 -1.130 0.249) 1.198 22.810 ( 0.509 0.764 2.330) 2.504 22.953 ( 0.986 2.055 -3.286) 3.999 23.060 ( -1.266 0.787 1.511) 2.123 23.262 ( -0.664 2.380 3.276) 4.104 23.786 ( 1.272 -2.876 -1.321) 3.411 24.393 ( 0.219 0.156 0.731) 0.778 24.809 ( -1.445 -3.261 -4.197) 5.508 28.303 ( -0.363 -0.565 -0.052) 0.673 28.315 ( -0.900 -0.876 -0.305) 1.293 28.346 ( -0.318 0.158 -0.479) 0.596 28.359 ( 1.573 -0.343 -0.743) 1.773 28.479 ( 1.672 -0.173 3.405) 3.797 28.654 ( 1.400 -1.371 -1.109) 2.252 28.698 ( -0.226 -0.959 -0.609) 1.158 28.884 ( -2.541 -10.485 1.340) 10.871 29.648 ( -0.923 3.476 0.186) 3.602 29.789 ( 0.002 0.203 0.435) 0.480 29.827 ( 0.603 0.673 0.998) 1.347 29.891 ( 1.393 0.897 0.468) 1.722 29.915 ( -0.236 -0.834 -0.681) 1.102 30.161 ( 2.959 12.795 -8.793) 15.805 30.611 ( 2.120 -3.816 6.960) 8.215 31.099 ( 5.558 10.121 6.516) 13.259 31.942 ( 2.047 3.526 -6.735) 7.873 32.284 ( -13.733 -0.060 6.868) 15.355 32.473 ( -0.501 0.212 2.438) 2.498 32.833 ( -0.952 -2.417 -2.570) 3.654 48.385 ( -0.353 -1.094 0.398) 1.217 48.408 ( -1.816 -0.653 -0.344) 1.961 48.481 ( -0.129 1.707 -0.718) 1.856 48.629 ( 1.694 -0.450 -0.954) 1.996 72.853 ( -0.153 0.202 0.036) 0.256 72.887 ( 0.433 -0.361 -0.254) 0.618 72.905 ( 0.069 -0.272 0.066) 0.289 72.919 ( 0.018 -0.581 -0.105) 0.591 94.732 ( -0.391 0.174 0.520) 0.673 94.875 ( 0.188 1.770 -2.696) 3.231 95.062 ( -0.098 -0.519 7.080) 7.100 95.851 ( -5.391 -3.564 -5.048) 8.200 96.605 ( 0.771 0.615 -0.481) 1.097 96.831 ( 1.560 -1.093 -4.057) 4.482 97.061 ( -3.424 -1.747 5.293) 6.541 98.037 ( 4.781 -24.564 -6.894) 25.957 ======================= Grid point 61 (29/100) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -11.766 32.696 6.810) 35.410 1.456 ( -31.574 11.926 -12.411) 35.961 1.849 ( -22.776 22.899 9.667) 33.712 2.584 ( -3.215 1.042 -14.925) 15.303 2.965 ( 1.902 9.915 -1.247) 10.173 3.260 ( 0.250 4.882 -1.229) 5.040 3.484 ( -10.554 0.666 -0.160) 10.576 3.540 ( -3.344 6.690 -2.345) 7.838 3.714 ( -5.393 -9.808 -3.085) 11.610 3.815 ( 0.085 0.290 8.334) 8.340 3.939 ( 6.217 -6.362 -10.381) 13.671 3.974 ( -0.820 -9.435 -8.661) 12.834 4.194 ( -7.250 -8.607 6.242) 12.868 4.273 ( 0.794 -2.663 -11.262) 11.599 4.303 ( 4.251 -0.081 -3.760) 5.675 4.454 ( -5.060 -5.366 -1.923) 7.622 4.710 ( -1.292 -4.588 -0.293) 4.775 4.739 ( 0.547 7.972 2.390) 8.341 4.832 ( -0.084 6.809 -2.616) 7.295 5.044 ( 0.460 0.708 -1.236) 1.497 5.161 ( -2.087 12.535 -5.283) 13.762 5.217 ( -3.424 2.357 8.553) 9.509 5.517 ( -3.766 8.771 14.074) 17.005 5.925 ( 4.541 3.451 1.006) 5.791 6.041 ( 14.841 -0.671 -10.232) 18.039 6.151 ( 6.875 4.179 6.687) 10.462 6.217 ( 4.230 -3.906 9.192) 10.847 6.314 ( 1.428 4.289 4.210) 6.177 6.487 ( 1.266 -3.273 6.489) 7.377 6.823 ( -3.385 -2.454 -2.908) 5.093 6.931 ( -2.771 -0.224 -0.241) 2.790 7.016 ( 2.919 1.936 -2.294) 4.187 7.180 ( 0.149 -2.481 -1.677) 2.998 7.261 ( 1.275 -2.663 -3.349) 4.464 7.292 ( -4.169 -0.445 2.946) 5.124 7.536 ( 0.808 -3.951 -1.652) 4.358 7.649 ( 10.135 8.224 -6.283) 14.486 7.886 ( 2.148 -2.286 0.187) 3.142 8.185 ( -0.758 -0.325 -2.104) 2.260 8.484 ( -0.679 -0.508 -1.183) 1.455 8.537 ( 0.627 3.297 -4.161) 5.346 8.836 ( -6.345 -4.279 0.035) 7.653 8.938 ( 0.096 -0.659 3.759) 3.818 9.316 ( 5.886 -6.063 6.857) 10.882 10.614 ( 2.469 -0.024 -0.865) 2.616 10.679 ( 0.717 -0.712 -3.021) 3.185 10.928 ( 0.376 -0.444 2.795) 2.854 11.007 ( -2.746 -1.572 -1.259) 3.406 12.714 ( 1.445 2.644 0.958) 3.162 12.965 ( 1.102 0.115 -3.269) 3.451 13.127 ( 0.852 1.169 1.752) 2.272 13.281 ( -0.162 -0.080 -3.239) 3.244 14.080 ( -1.774 0.733 3.697) 4.166 14.336 ( -1.506 -1.813 8.391) 8.715 14.633 ( 0.651 2.779 -3.814) 4.763 14.926 ( -1.303 -0.108 -2.050) 2.431 16.233 ( -3.886 -0.864 2.004) 4.457 16.696 ( -1.286 -13.752 -6.851) 15.418 17.293 ( -0.260 1.638 0.514) 1.736 17.419 ( -2.559 -0.464 1.168) 2.851 21.149 ( -1.560 2.319 -0.287) 2.809 21.391 ( 0.711 9.278 -5.205) 10.662 21.658 ( -3.321 2.311 4.620) 6.141 22.142 ( -0.954 -2.113 2.057) 3.100 22.741 ( -0.473 -1.759 -0.117) 1.825 22.826 ( -0.684 -0.957 1.746) 2.105 22.944 ( 0.616 1.696 -3.338) 3.795 23.052 ( -0.579 1.910 1.408) 2.442 23.286 ( 1.425 4.648 2.541) 5.486 23.831 ( 3.592 -2.864 1.719) 4.905 24.399 ( -0.445 -0.117 1.372) 1.447 24.746 ( -1.666 -2.939 -4.366) 5.521 28.292 ( -0.794 -0.471 -0.534) 1.066 28.292 ( -0.893 -0.835 0.041) 1.223 28.342 ( 0.116 0.809 -0.332) 0.882 28.380 ( 0.956 -0.392 -0.531) 1.162 28.540 ( 1.830 -1.330 3.727) 4.360 28.648 ( -1.137 -1.810 -0.469) 2.188 28.714 ( 2.035 -0.347 -1.437) 2.515 28.819 ( -4.867 -10.396 0.080) 11.479 29.634 ( -0.594 3.630 0.100) 3.680 29.798 ( 0.596 -0.422 0.318) 0.796 29.849 ( 0.668 0.420 1.204) 1.439 29.896 ( -0.426 -0.537 -0.765) 1.027 29.933 ( 1.721 -0.268 0.400) 1.787 30.191 ( 7.140 14.664 -9.034) 18.645 30.693 ( 2.991 1.280 2.087) 3.865 31.272 ( 8.132 13.913 -1.302) 16.168 31.972 ( 3.034 3.016 15.049) 15.646 32.073 ( -11.603 0.900 4.072) 12.330 32.472 ( -0.656 -0.371 -0.365) 0.837 32.880 ( 6.085 -2.201 0.376) 6.482 48.357 ( -2.183 -0.774 -0.981) 2.515 48.389 ( -0.272 -1.082 0.081) 1.118 48.473 ( -0.151 1.991 -0.666) 2.105 48.662 ( 2.202 -0.767 -0.670) 2.427 72.849 ( -0.229 -0.031 0.023) 0.232 72.891 ( 0.088 -0.590 -0.473) 0.761 72.907 ( 0.138 -0.413 0.040) 0.438 72.918 ( -0.036 -0.411 -0.140) 0.436 94.722 ( -0.979 0.984 0.562) 1.497 94.859 ( 0.329 1.393 -2.807) 3.151 95.103 ( -1.643 -0.958 8.675) 8.881 95.701 ( -5.207 -4.103 -11.285) 13.088 96.605 ( -0.601 0.667 0.013) 0.898 96.833 ( 1.859 -1.242 -4.284) 4.832 97.022 ( -4.146 -2.155 4.496) 6.484 97.965 ( -9.628 -35.079 -5.269) 36.756 ======================= Grid point 62 (30/100) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -28.653 12.791 -8.407) 32.485 1.092 ( -16.509 23.948 17.632) 34.014 1.604 ( -15.375 43.744 21.380) 51.059 2.540 ( 3.984 0.367 0.647) 4.053 2.946 ( -2.446 4.219 -0.534) 4.906 3.210 ( -3.123 -4.556 -1.300) 5.675 3.323 ( -4.185 4.777 -1.724) 6.581 3.480 ( -1.694 10.470 -4.413) 11.487 3.671 ( 0.147 -8.238 3.357) 8.897 3.809 ( -5.187 3.946 3.821) 7.555 3.925 ( 2.909 -6.872 -0.461) 7.476 4.057 ( 2.657 -7.686 1.321) 8.239 4.140 ( 1.860 -8.309 -1.923) 8.729 4.261 ( 7.050 -4.285 -11.709) 14.323 4.391 ( 7.401 0.000 -4.450) 8.636 4.420 ( 1.407 -5.449 2.586) 6.194 4.696 ( -1.401 -2.717 1.587) 3.444 4.762 ( 0.554 5.553 -0.204) 5.584 4.847 ( 2.437 8.741 -0.035) 9.074 5.035 ( -0.290 1.038 -2.827) 3.025 5.096 ( 0.181 14.196 -7.404) 16.012 5.189 ( -6.593 0.984 10.801) 12.692 5.534 ( -4.034 11.422 12.407) 17.339 6.009 ( 4.257 2.437 -4.496) 6.654 6.166 ( 5.927 1.378 -11.177) 12.726 6.260 ( 0.375 -2.111 -0.935) 2.339 6.278 ( 4.345 2.596 -1.356) 5.240 6.394 ( -0.815 0.573 6.184) 6.264 6.545 ( 2.407 -6.652 4.434) 8.348 6.716 ( -4.338 -5.258 -0.932) 6.880 6.906 ( -0.722 -0.620 4.698) 4.793 7.041 ( 0.704 4.781 -1.023) 4.940 7.124 ( -6.998 -0.893 7.124) 10.025 7.267 ( 0.558 -0.921 -0.935) 1.426 7.291 ( 3.814 -2.022 -4.592) 6.303 7.537 ( 0.787 -3.122 -2.198) 3.899 7.809 ( 12.559 7.719 -6.090) 15.950 7.943 ( 3.638 -0.224 -1.730) 4.035 8.159 ( -0.469 -1.809 -1.038) 2.138 8.455 ( -0.326 -2.582 -4.530) 5.224 8.528 ( 0.560 2.795 -0.747) 2.947 8.730 ( -4.573 -5.176 1.534) 7.075 8.918 ( -3.284 1.861 -0.053) 3.775 9.490 ( 6.381 -7.366 4.628) 10.789 10.647 ( 1.842 0.410 -2.020) 2.764 10.684 ( 1.554 -0.107 -2.645) 3.069 10.901 ( -3.526 -1.411 -1.727) 4.172 10.967 ( -1.621 -1.210 2.234) 3.014 12.751 ( 1.303 2.813 1.711) 3.541 12.967 ( 1.439 -0.088 -2.982) 3.312 13.161 ( 1.619 1.746 1.083) 2.616 13.254 ( -0.151 -0.247 -3.174) 3.188 14.085 ( -1.022 0.311 5.173) 5.282 14.399 ( 0.652 -4.384 13.407) 14.120 14.633 ( 1.822 2.462 -2.729) 4.102 14.890 ( -1.020 -0.117 -1.345) 1.692 16.160 ( -4.404 -1.242 0.338) 4.588 16.507 ( -13.168 -10.520 -10.329) 19.767 17.296 ( 0.115 0.656 0.708) 0.972 17.364 ( -3.473 0.147 1.001) 3.617 21.130 ( 0.060 4.137 -0.565) 4.176 21.387 ( 3.578 9.848 -6.964) 12.581 21.629 ( -2.454 2.454 3.697) 5.071 22.070 ( -8.069 -4.297 -1.348) 9.241 22.711 ( -2.207 -1.460 -0.650) 2.725 22.808 ( -1.605 -1.793 0.441) 2.447 22.939 ( 1.084 2.572 -2.371) 3.662 23.052 ( -0.423 1.173 1.155) 1.699 23.336 ( 2.701 7.105 -2.741) 8.080 23.943 ( 4.540 -6.092 5.329) 9.281 24.394 ( -1.152 -0.568 1.671) 2.107 24.702 ( 0.044 -2.845 -3.077) 4.191 28.276 ( -0.299 -0.441 -0.714) 0.891 28.283 ( -0.153 -0.557 0.253) 0.631 28.343 ( 0.160 1.333 -0.189) 1.355 28.388 ( 0.371 -0.517 -0.473) 0.793 28.576 ( -0.357 -2.424 -0.234) 2.461 28.623 ( -2.227 -2.628 0.312) 3.459 28.682 ( -4.074 -2.893 -0.998) 5.095 28.767 ( 0.660 -0.822 1.330) 1.697 29.629 ( -0.065 3.159 0.359) 3.180 29.811 ( 0.392 -0.833 0.113) 0.928 29.860 ( -0.120 0.544 0.314) 0.640 29.888 ( 0.075 -0.631 -0.175) 0.659 29.958 ( 0.879 -0.924 -0.605) 1.412 30.297 ( 9.751 9.657 -9.724) 16.819 30.738 ( 4.139 9.995 -10.765) 15.262 31.202 ( -4.932 17.683 -26.937) 32.598 31.917 ( -7.162 0.424 2.639) 7.645 32.373 ( 4.538 -6.856 5.740) 10.027 32.642 ( 25.016 -4.179 48.839) 55.032 33.053 ( 11.069 -1.020 10.327) 15.172 48.315 ( -1.208 0.073 1.197) 1.702 48.388 ( 0.013 -1.352 0.366) 1.401 48.468 ( 0.016 2.124 -0.491) 2.181 48.693 ( 1.415 -1.070 -0.838) 1.962 72.845 ( -0.218 -0.213 -0.020) 0.305 72.875 ( -1.276 -0.712 -1.010) 1.776 72.911 ( 0.236 -0.304 -0.022) 0.385 72.916 ( -0.054 -0.190 -0.042) 0.202 94.707 ( -0.896 1.617 0.556) 1.931 94.851 ( 0.989 1.303 -2.984) 3.403 95.111 ( -3.920 -1.138 8.656) 9.570 95.495 ( -6.385 -3.824 -8.472) 11.277 96.588 ( -1.011 0.787 0.081) 1.284 96.843 ( 1.890 -1.403 -3.880) 4.538 96.970 ( -4.672 -3.899 4.340) 7.475 97.534 ( -33.042 -36.612 -0.319) 49.319 ======================= Grid point 63 (31/100) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 7.964 21.690 15.234) 27.676 1.532 ( 0.445 24.636 24.160) 34.509 2.543 ( 1.513 5.826 4.790) 7.693 2.664 ( 2.449 14.004 4.994) 15.068 2.751 ( 4.013 1.263 7.649) 8.730 3.205 ( -1.833 3.682 2.349) 4.737 3.318 ( 2.320 -18.382 9.631) 20.882 3.603 ( 1.968 8.440 1.207) 8.750 3.670 ( -0.276 12.538 -6.330) 14.048 3.830 ( 0.050 0.853 4.756) 4.832 3.941 ( 0.240 -3.343 5.313) 6.282 4.075 ( 2.535 1.531 0.561) 3.014 4.124 ( 4.656 3.570 -1.696) 6.108 4.198 ( 3.435 -0.098 -1.058) 3.595 4.431 ( 6.734 -0.941 -3.443) 7.621 4.464 ( 8.843 -1.551 -4.558) 10.069 4.691 ( -2.196 1.530 3.782) 4.633 4.788 ( -2.831 2.893 2.737) 4.886 4.894 ( -4.172 -4.704 2.898) 6.923 5.034 ( -0.624 -0.324 -1.435) 1.598 5.132 ( -5.344 -2.033 10.884) 12.295 5.368 ( -0.325 11.407 -10.711) 15.651 5.683 ( -3.338 -1.067 2.204) 4.140 5.977 ( -0.398 1.105 -9.963) 10.032 6.028 ( -4.150 -7.944 -8.239) 12.174 6.215 ( -1.731 4.875 -8.692) 10.115 6.321 ( 1.567 -2.216 -4.079) 4.899 6.505 ( 4.921 1.378 -2.665) 5.763 6.540 ( -3.859 -2.515 2.538) 5.259 6.569 ( 0.843 3.976 7.300) 8.355 6.761 ( -5.116 -6.401 8.948) 12.133 7.021 ( -2.377 -0.239 0.289) 2.407 7.165 ( -1.242 1.422 -0.197) 1.898 7.302 ( 2.297 0.052 -2.967) 3.753 7.387 ( 0.244 5.286 2.464) 5.838 7.472 ( 0.743 -2.696 -2.251) 3.590 7.929 ( -1.150 -1.311 -5.107) 5.397 8.079 ( 3.928 -2.181 -2.471) 5.128 8.088 ( 3.085 -2.493 -2.633) 4.761 8.230 ( 6.253 -8.088 -7.294) 12.558 8.561 ( 1.568 -2.093 3.966) 4.751 8.631 ( -1.844 -3.017 6.907) 7.759 8.907 ( -4.161 4.737 -4.091) 7.516 9.333 ( -4.323 -6.437 -8.303) 11.361 10.687 ( 1.810 0.254 0.070) 1.829 10.698 ( 1.449 0.209 -1.716) 2.256 10.831 ( -0.778 -0.395 -2.031) 2.210 10.903 ( -1.584 -2.596 1.470) 3.378 12.849 ( -0.274 3.785 1.151) 3.965 12.983 ( 1.872 -0.105 -0.697) 2.001 13.196 ( -0.733 -0.070 0.422) 0.848 13.230 ( 0.956 -0.588 -2.597) 2.829 14.131 ( -0.683 1.961 5.295) 5.687 14.331 ( -4.203 -4.555 10.513) 12.205 14.715 ( 1.888 2.967 -1.668) 3.892 14.868 ( 0.841 -0.817 -1.385) 1.814 16.145 ( 1.074 1.746 0.520) 2.114 16.271 ( -0.069 -1.230 -1.846) 2.220 17.314 ( -0.107 0.416 1.147) 1.224 17.331 ( -1.197 0.292 0.609) 1.374 21.267 ( 0.669 6.665 -0.667) 6.731 21.501 ( 1.998 0.651 -3.994) 4.513 21.733 ( 0.694 6.026 -0.167) 6.068 21.903 ( -3.883 1.424 0.773) 4.207 22.704 ( -0.300 1.216 0.441) 1.328 22.752 ( -0.573 -0.606 -0.079) 0.837 23.009 ( 1.838 1.711 -1.556) 2.954 23.047 ( -0.795 -0.266 -0.626) 1.046 23.453 ( -1.355 5.015 -1.160) 5.323 23.828 ( -2.319 -7.139 3.722) 8.379 24.389 ( 0.082 1.162 -1.138) 1.628 24.623 ( 2.077 -4.893 -1.749) 5.596 28.255 ( -0.236 -0.443 -0.814) 0.957 28.272 ( 0.056 -0.589 -0.403) 0.716 28.365 ( -0.345 0.474 -0.014) 0.586 28.379 ( 0.323 -0.335 -0.004) 0.466 28.524 ( -0.355 -0.166 -1.158) 1.222 28.563 ( -0.185 0.016 -0.035) 0.189 28.675 ( -0.150 0.008 1.725) 1.732 28.771 ( 0.596 -1.654 0.689) 1.888 29.699 ( -0.368 2.773 0.476) 2.838 29.787 ( -0.136 -1.281 0.088) 1.292 29.867 ( -0.551 0.729 -0.425) 1.008 29.902 ( 0.548 0.989 0.904) 1.447 29.939 ( 0.021 -0.616 -0.092) 0.623 30.250 ( -0.416 -7.637 1.175) 7.738 31.068 ( 4.813 14.462 -22.777) 27.406 31.222 ( -6.731 11.914 -19.388) 23.731 31.862 ( -1.958 1.818 0.816) 2.793 32.231 ( 0.156 -7.513 -4.104) 8.562 32.945 ( 2.033 -4.440 22.633) 23.154 33.187 ( -0.061 -10.978 20.024) 22.836 48.330 ( 0.488 -0.440 2.289) 2.381 48.372 ( 0.698 -1.483 1.772) 2.414 48.514 ( 0.221 2.279 -0.616) 2.371 48.665 ( 0.053 -1.996 -1.242) 2.351 72.842 ( 0.038 0.020 0.029) 0.052 72.852 ( 0.024 -0.189 -0.195) 0.273 72.909 ( 0.024 -0.261 -0.024) 0.263 72.909 ( 0.004 -0.293 -0.058) 0.298 94.753 ( -0.546 3.094 0.811) 3.245 94.898 ( 2.005 1.686 -2.376) 3.536 95.056 ( -3.922 -0.221 5.645) 6.877 95.451 ( 13.317 -10.670 5.828) 18.032 96.582 ( -2.693 1.812 -0.024) 3.246 96.757 ( -4.445 -0.210 7.190) 8.456 96.814 ( 1.803 -2.858 -2.248) 4.058 96.974 ( -2.655 -3.900 1.906) 5.088 ======================= Grid point 64 (32/100) ======================= q-point: ( 0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 13.672 19.440 13.366) 27.267 1.881 ( 15.888 20.234 21.124) 33.288 2.672 ( 3.208 37.306 6.346) 37.978 2.760 ( 10.340 -15.692 2.024) 18.901 2.949 ( 6.876 -3.347 9.529) 12.218 3.222 ( 2.142 2.826 1.176) 3.736 3.442 ( 3.175 -6.926 7.355) 10.590 3.646 ( 1.863 7.747 -0.128) 7.969 3.661 ( 2.012 6.913 -0.406) 7.212 3.846 ( 0.890 4.272 7.615) 8.777 4.006 ( -0.588 -3.579 1.644) 3.983 4.075 ( 1.561 0.862 -1.007) 2.048 4.250 ( 6.507 -1.197 3.271) 7.381 4.298 ( 3.657 0.143 5.911) 6.953 4.504 ( 1.695 -1.815 -1.132) 2.729 4.560 ( 0.363 -1.458 1.578) 2.179 4.675 ( -0.377 1.057 2.273) 2.535 4.767 ( -0.374 2.930 -0.169) 2.958 4.879 ( 1.035 -1.971 6.586) 6.952 4.997 ( -3.168 -4.506 3.344) 6.444 5.138 ( -1.408 -0.432 8.076) 8.209 5.278 ( 0.237 10.518 -11.293) 15.434 5.616 ( -3.805 -4.015 -0.120) 5.533 5.851 ( -7.189 -5.758 -11.387) 14.646 5.909 ( -0.653 3.834 -6.295) 7.400 6.079 ( -5.082 3.287 -10.324) 11.967 6.250 ( -4.363 -0.641 -7.344) 8.566 6.475 ( -0.426 4.795 -4.355) 6.491 6.566 ( -5.321 2.106 5.715) 8.088 6.636 ( 4.587 -1.426 -0.421) 4.822 6.805 ( 4.113 -7.925 7.753) 11.825 6.979 ( -2.392 1.643 1.307) 3.183 7.119 ( -0.779 -1.420 -3.655) 3.998 7.301 ( -0.945 -1.787 -1.628) 2.595 7.403 ( -0.885 5.449 4.729) 7.269 7.471 ( 0.645 -2.387 -1.339) 2.812 7.839 ( -3.205 -2.836 -5.311) 6.821 7.955 ( -7.862 -8.100 -2.440) 11.549 8.186 ( 2.528 4.355 -4.044) 6.459 8.365 ( 10.879 -2.472 -7.095) 13.221 8.576 ( -2.514 -1.523 4.953) 5.759 8.731 ( 3.362 -2.978 -3.223) 5.528 8.810 ( -0.118 1.731 3.862) 4.234 9.125 ( -6.663 -1.588 -11.044) 12.995 10.689 ( -1.942 0.162 0.572) 2.030 10.714 ( 0.931 0.390 0.106) 1.015 10.855 ( 2.145 -2.545 -2.651) 4.255 10.889 ( 0.615 -3.571 2.273) 4.278 12.829 ( -2.204 3.991 0.582) 4.596 13.011 ( 0.954 0.091 0.159) 0.971 13.168 ( -2.020 0.370 0.010) 2.054 13.245 ( 2.256 -0.709 -2.291) 3.293 14.155 ( -0.987 1.488 5.571) 5.850 14.304 ( -4.959 -3.068 8.191) 10.055 14.740 ( 1.647 2.809 -1.177) 3.463 14.891 ( 2.427 -0.698 -1.292) 2.837 16.164 ( 1.015 1.599 0.192) 1.904 16.349 ( 7.456 -4.626 -1.894) 8.977 17.318 ( 0.157 0.442 0.940) 1.050 17.337 ( 1.142 0.227 0.508) 1.270 21.264 ( -0.492 6.319 -0.001) 6.338 21.509 ( 1.784 0.620 -3.775) 4.221 21.740 ( 0.193 7.670 1.069) 7.747 21.915 ( 4.299 1.688 -1.294) 4.796 22.705 ( 0.152 0.667 -0.057) 0.687 22.756 ( 1.012 0.131 -0.121) 1.028 23.029 ( -0.525 -0.739 -0.724) 1.160 23.035 ( 1.890 1.901 -1.414) 3.031 23.399 ( -3.678 5.952 1.055) 7.076 23.786 ( -3.680 -6.469 2.079) 7.727 24.387 ( 0.629 1.516 -1.411) 2.164 24.666 ( 3.217 -5.516 -1.085) 6.477 28.249 ( 0.372 -0.388 -0.662) 0.853 28.272 ( 0.390 -0.712 -0.567) 0.990 28.355 ( -0.533 0.263 -0.139) 0.610 28.382 ( -0.088 -0.241 -0.052) 0.262 28.499 ( -1.310 0.942 -0.765) 1.786 28.574 ( 1.324 0.359 -0.822) 1.599 28.679 ( -0.614 -1.470 1.526) 2.206 28.778 ( -0.628 -2.821 1.439) 3.228 29.702 ( 0.386 2.232 0.325) 2.288 29.790 ( 0.311 -0.958 0.272) 1.043 29.848 ( -0.923 0.579 -0.487) 1.193 29.905 ( -0.450 -0.366 -0.790) 0.980 29.939 ( -0.626 1.328 1.704) 2.249 30.240 ( -1.213 -7.812 0.749) 7.941 30.873 ( -3.348 19.227 -22.484) 29.773 31.108 ( 0.571 7.774 -6.677) 10.264 31.869 ( 2.233 2.073 -0.432) 3.077 32.208 ( 0.894 -6.564 -4.187) 7.837 33.035 ( -5.867 -3.687 16.551) 17.943 33.163 ( -14.798 -7.147 17.499) 24.006 48.351 ( 0.365 -0.706 1.425) 1.632 48.406 ( 0.736 -2.284 2.756) 3.654 48.515 ( 0.328 2.121 -0.603) 2.229 48.647 ( -0.745 -1.658 -1.603) 2.424 72.844 ( 0.217 -0.005 0.015) 0.217 72.860 ( 0.772 -0.374 -0.265) 0.898 72.904 ( -0.292 -0.254 -0.065) 0.393 72.911 ( 0.032 -0.344 -0.023) 0.347 94.746 ( -0.680 2.400 0.463) 2.537 94.913 ( 0.569 0.263 -1.668) 1.782 95.036 ( -1.170 3.035 3.808) 5.008 95.799 ( 11.861 -20.997 7.142) 25.151 96.542 ( 0.304 3.266 -1.622) 3.660 96.782 ( 0.477 -2.854 0.775) 2.995 96.903 ( 12.010 -3.523 -0.047) 12.516 96.978 ( 0.852 -3.197 2.343) 4.054 ======================= Grid point 65 (33/100) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 13.065 18.324 12.188) 25.593 2.261 ( 12.345 20.915 6.862) 25.237 2.717 ( -0.875 27.524 2.245) 27.630 3.038 ( 11.276 -14.390 4.080) 18.731 3.086 ( 5.766 3.217 -1.295) 6.728 3.288 ( 3.650 1.062 1.371) 4.041 3.518 ( 3.040 4.674 -1.070) 5.677 3.671 ( 0.543 3.457 4.793) 5.934 3.725 ( 0.040 -2.051 2.088) 2.927 3.945 ( -3.716 -3.841 2.311) 5.822 3.982 ( 5.086 8.063 3.215) 10.061 4.090 ( 0.318 0.683 -2.185) 2.312 4.301 ( -0.991 0.865 -4.214) 4.415 4.422 ( 1.848 -0.944 4.706) 5.143 4.477 ( -2.681 -3.359 5.754) 7.182 4.567 ( -0.893 0.881 5.526) 5.667 4.684 ( 0.246 -3.399 2.295) 4.109 4.785 ( 1.467 -1.381 -2.873) 3.509 4.949 ( -3.252 -4.632 3.039) 6.424 4.995 ( 2.574 -2.535 8.141) 8.906 5.190 ( 2.811 1.905 1.593) 3.751 5.265 ( 3.971 4.550 -0.449) 6.056 5.559 ( -5.150 -6.566 -3.367) 8.999 5.645 ( -2.735 -0.539 -4.074) 4.936 5.862 ( -2.858 7.746 -8.343) 11.738 5.884 ( -4.731 2.495 -4.661) 7.094 6.131 ( -2.091 4.686 -5.499) 7.522 6.395 ( -7.695 -5.047 0.218) 9.205 6.485 ( -1.820 12.412 -1.817) 12.676 6.718 ( 4.310 -2.023 -2.242) 5.263 6.877 ( -1.596 -0.467 3.343) 3.734 7.025 ( 6.671 1.611 -0.250) 6.867 7.131 ( 4.968 -8.490 -2.359) 10.116 7.234 ( -4.564 -1.964 -1.418) 5.167 7.425 ( -0.663 4.909 5.409) 7.334 7.465 ( -1.802 -1.004 0.780) 2.205 7.749 ( -7.858 -2.850 -6.439) 10.551 7.772 ( -2.865 -4.862 -0.994) 5.730 8.192 ( 1.788 3.355 -2.993) 4.839 8.475 ( 3.929 -3.385 -3.919) 6.500 8.579 ( 0.571 0.808 2.236) 2.445 8.680 ( -2.059 1.080 -0.703) 2.429 8.907 ( 4.135 -1.723 -1.206) 4.639 9.022 ( 1.203 -2.556 -4.698) 5.482 10.648 ( -2.017 0.465 -0.764) 2.206 10.746 ( 1.874 0.598 2.224) 2.969 10.808 ( -2.562 -2.360 -3.997) 5.302 10.962 ( 2.499 -5.169 2.956) 6.458 12.787 ( -2.129 4.026 0.026) 4.554 13.013 ( -0.841 -0.472 -0.118) 0.971 13.137 ( -0.944 1.671 0.183) 1.928 13.275 ( 2.201 -0.828 -2.146) 3.184 14.162 ( -2.258 1.165 5.119) 5.714 14.276 ( -2.884 -1.998 5.970) 6.924 14.756 ( 0.993 3.234 -1.727) 3.798 14.931 ( 2.578 -0.815 -1.635) 3.159 16.201 ( 2.627 1.230 0.066) 2.901 16.452 ( 4.091 -7.798 -1.756) 8.980 17.334 ( 0.411 0.807 1.293) 1.579 17.372 ( 2.065 0.038 0.239) 2.079 21.257 ( -0.324 5.393 0.554) 5.431 21.514 ( 1.343 -0.153 -3.502) 3.754 21.770 ( 1.674 9.321 1.865) 9.652 21.999 ( 5.028 1.282 -1.738) 5.472 22.707 ( 0.210 0.265 -0.173) 0.380 22.785 ( 1.798 0.763 0.241) 1.968 23.016 ( -0.429 0.223 -0.444) 0.656 23.059 ( 1.618 1.476 -1.414) 2.607 23.347 ( -3.249 5.169 3.258) 6.920 23.731 ( -2.933 -6.144 0.742) 6.849 24.393 ( 0.945 1.830 -1.322) 2.447 24.716 ( 2.699 -6.058 -1.446) 6.788 28.263 ( 1.410 -0.605 -0.470) 1.605 28.279 ( 0.614 -0.840 -0.463) 1.139 28.345 ( -0.307 0.077 -0.162) 0.355 28.373 ( -0.725 -0.428 -0.257) 0.880 28.473 ( -0.981 1.805 0.030) 2.055 28.593 ( 1.525 -0.149 -1.520) 2.158 28.672 ( -1.016 -2.726 1.062) 3.097 28.767 ( -1.742 -4.637 1.810) 5.274 29.714 ( 0.647 2.116 0.081) 2.214 29.800 ( 0.286 -0.114 0.925) 0.975 29.830 ( -0.636 0.287 -0.271) 0.748 29.885 ( -0.730 -0.806 -0.736) 1.314 29.934 ( -1.009 1.908 1.327) 2.534 30.218 ( -1.199 -7.281 -0.377) 7.389 30.728 ( -0.070 18.443 -9.844) 20.906 31.093 ( 2.078 5.863 -4.280) 7.551 31.927 ( 4.530 2.365 -2.509) 5.693 32.216 ( 2.310 -5.856 -2.112) 6.640 32.926 ( -18.257 -0.359 15.562) 23.993 32.996 ( -9.226 -3.391 7.644) 12.452 48.364 ( 0.182 -0.424 0.967) 1.072 48.425 ( -0.604 -2.024 2.192) 3.044 48.518 ( 0.465 1.861 -0.672) 2.033 48.621 ( -0.640 -1.109 -1.675) 2.109 72.851 ( 0.490 0.105 0.014) 0.502 72.872 ( 0.556 -0.362 -0.319) 0.737 72.898 ( -0.284 -0.333 -0.033) 0.439 72.909 ( -0.155 -0.466 -0.024) 0.492 94.737 ( -0.432 1.410 0.340) 1.514 94.899 ( -0.724 -1.711 -0.479) 1.919 95.059 ( 0.930 6.406 1.897) 6.746 95.910 ( -2.321 -15.054 4.039) 15.758 96.568 ( 3.130 2.339 -2.510) 4.644 96.785 ( 0.891 -2.770 -1.998) 3.529 97.014 ( 0.430 -2.415 3.706) 4.444 97.206 ( 17.435 -14.610 -2.825) 22.922 ======================= Grid point 66 (34/100) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.470 18.095 11.271) 21.599 2.462 ( 8.300 19.187 -1.920) 20.994 2.648 ( -7.793 23.754 0.399) 25.003 3.113 ( 1.197 4.107 0.610) 4.321 3.182 ( 3.012 -1.747 -15.328) 15.718 3.368 ( 2.197 -4.607 0.649) 5.145 3.535 ( -0.378 3.888 -7.164) 8.159 3.649 ( -4.403 -1.804 2.255) 5.266 3.703 ( -0.799 -1.128 2.734) 3.063 3.831 ( -5.927 -0.514 -2.261) 6.365 4.006 ( -1.035 4.617 -1.748) 5.044 4.191 ( 4.887 -2.914 -8.967) 10.620 4.203 ( -4.038 0.393 1.037) 4.188 4.349 ( -7.805 -1.579 1.776) 8.159 4.447 ( -5.586 -2.955 3.512) 7.230 4.639 ( -3.163 1.900 2.409) 4.406 4.676 ( 0.683 -1.717 -8.593) 8.789 4.737 ( 1.256 -2.414 1.878) 3.306 4.974 ( 0.699 -6.171 5.667) 8.408 5.070 ( 1.966 -0.755 4.496) 4.965 5.193 ( -2.356 3.112 -6.072) 7.219 5.397 ( -2.475 -1.157 -1.654) 3.194 5.452 ( 10.476 -2.846 11.435) 15.768 5.668 ( -1.829 1.533 0.474) 2.433 5.776 ( 3.797 10.462 1.744) 11.265 5.911 ( 5.011 3.129 1.857) 6.193 6.083 ( -2.418 7.099 -0.586) 7.522 6.272 ( -3.516 -1.746 3.318) 5.140 6.461 ( 1.070 8.756 -4.140) 9.744 6.763 ( 1.753 -0.906 -0.007) 1.974 6.887 ( 3.051 -1.198 -3.285) 4.641 7.056 ( -4.469 -2.121 0.938) 5.035 7.177 ( 2.246 2.092 -2.716) 4.098 7.280 ( 9.889 -8.688 -2.945) 13.489 7.405 ( -4.487 -0.669 3.847) 5.948 7.454 ( -0.502 6.981 -0.043) 6.999 7.546 ( -7.703 -3.459 -0.930) 8.495 7.769 ( 0.462 -4.383 1.145) 4.554 8.217 ( 2.147 2.433 -1.541) 3.593 8.482 ( -1.034 -4.119 0.563) 4.284 8.603 ( 1.613 1.795 -2.585) 3.536 8.685 ( 1.925 -1.077 3.437) 4.084 8.972 ( 3.043 0.029 -1.911) 3.594 9.015 ( 0.578 -5.244 -3.311) 6.229 10.607 ( -1.212 0.332 -2.012) 2.372 10.727 ( -2.441 -2.543 -4.421) 5.654 10.815 ( 2.923 1.252 3.658) 4.847 11.006 ( 0.086 -4.333 2.656) 5.083 12.758 ( -0.727 3.979 -0.084) 4.046 12.988 ( -0.957 -0.965 -1.208) 1.818 13.133 ( -0.087 2.422 0.799) 2.552 13.293 ( 1.312 -0.930 -2.355) 2.852 14.145 ( -2.697 1.360 4.163) 5.143 14.273 ( -1.729 -2.000 5.144) 5.784 14.753 ( 0.330 3.842 -2.756) 4.740 14.956 ( 1.292 -1.015 -2.250) 2.786 16.250 ( 1.807 0.487 0.767) 2.023 16.483 ( 0.974 -8.805 -1.663) 9.014 17.345 ( -0.321 1.396 1.485) 2.063 17.410 ( 1.479 -0.353 0.550) 1.617 21.256 ( -0.355 4.578 0.524) 4.621 21.511 ( 0.879 -0.770 -3.351) 3.549 21.811 ( 0.757 9.772 1.982) 10.000 22.071 ( 3.303 0.895 -0.473) 3.455 22.712 ( 0.259 0.002 0.271) 0.375 22.819 ( 1.128 0.902 0.839) 1.670 23.006 ( -0.331 1.382 -0.518) 1.512 23.076 ( 1.074 1.503 -1.057) 2.128 23.322 ( -1.949 3.980 3.833) 5.859 23.694 ( -1.099 -5.900 0.138) 6.003 24.402 ( 0.845 1.872 -0.974) 2.273 24.737 ( 0.828 -6.151 -2.630) 6.741 28.286 ( 0.494 -0.787 -0.037) 0.930 28.292 ( 1.427 -0.883 -0.356) 1.715 28.341 ( 0.062 -0.083 -0.329) 0.345 28.354 ( -0.797 -0.379 -0.347) 0.948 28.467 ( -0.076 1.802 1.068) 2.096 28.609 ( 1.409 -0.921 -1.933) 2.563 28.660 ( -0.660 -3.078 0.556) 3.197 28.740 ( -2.237 -6.020 1.656) 6.632 29.725 ( 0.538 2.542 -0.160) 2.603 29.809 ( -0.575 0.725 1.857) 2.075 29.823 ( 0.066 0.333 0.055) 0.344 29.875 ( 0.067 -0.764 0.017) 0.767 29.921 ( -0.785 1.214 0.059) 1.447 30.196 ( -0.337 -6.209 -1.258) 6.344 30.724 ( 3.805 17.170 -2.761) 17.802 31.137 ( 4.195 5.099 0.430) 6.617 31.990 ( 4.417 2.759 -4.607) 6.953 32.258 ( 1.916 -5.475 1.268) 5.937 32.679 ( -15.286 3.215 7.907) 17.508 32.864 ( -8.224 -3.479 2.879) 9.383 48.371 ( -0.129 -0.305 0.718) 0.791 48.416 ( -1.460 -1.380 1.178) 2.329 48.521 ( 0.356 1.713 -0.794) 1.922 48.606 ( 0.298 -0.768 -1.392) 1.617 72.860 ( 0.358 0.359 0.022) 0.507 72.875 ( 0.104 -0.238 -0.239) 0.353 72.896 ( 0.117 -0.443 0.004) 0.458 72.905 ( -0.225 -0.687 -0.030) 0.723 94.736 ( -0.003 0.891 0.652) 1.104 94.890 ( -0.095 -2.009 0.163) 2.018 95.083 ( 0.255 6.657 1.369) 6.801 95.841 ( -5.047 -10.122 -0.861) 11.343 96.607 ( 2.239 1.859 -1.354) 3.209 96.791 ( 1.245 -2.404 -2.414) 3.627 97.034 ( -1.182 -1.768 3.807) 4.361 97.443 ( 9.129 -20.272 -3.501) 22.507 ======================= Grid point 67 (35/100) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -10.840 19.535 10.377) 24.633 2.307 ( -18.554 7.016 -16.498) 25.801 2.646 ( 3.679 35.602 5.828) 36.263 2.931 ( -10.456 5.311 -23.489) 26.254 3.134 ( -0.653 4.500 0.939) 4.643 3.347 ( -0.938 -6.122 -5.755) 8.455 3.441 ( -6.639 -6.759 2.689) 9.849 3.676 ( 0.623 -2.726 0.703) 2.883 3.717 ( 4.901 2.090 -0.528) 5.355 3.734 ( -4.456 -3.638 -3.529) 6.748 3.912 ( -6.527 1.585 -4.110) 7.874 3.985 ( -6.081 -0.965 -12.948) 14.337 4.158 ( -4.351 -4.523 -0.732) 6.318 4.295 ( -5.418 -2.317 -7.710) 9.704 4.338 ( 0.015 4.830 2.431) 5.407 4.525 ( -5.595 0.250 3.866) 6.806 4.685 ( -0.021 2.809 -4.447) 5.260 4.789 ( 2.393 -1.983 1.822) 3.603 4.965 ( -1.732 -1.180 -0.259) 2.111 5.097 ( -3.314 0.780 -3.242) 4.701 5.172 ( 3.334 0.373 5.605) 6.532 5.411 ( 2.082 3.674 -1.337) 4.429 5.644 ( -1.219 4.845 5.665) 7.553 5.753 ( 12.118 -3.937 3.750) 13.282 5.907 ( 5.964 2.735 8.254) 10.544 5.998 ( 0.327 4.225 1.110) 4.380 6.108 ( 6.964 4.706 4.847) 9.702 6.322 ( 1.758 1.967 9.453) 9.814 6.464 ( 2.221 6.224 -3.980) 7.714 6.794 ( 1.169 -2.124 0.190) 2.431 6.925 ( -0.002 -2.693 -1.161) 2.933 6.976 ( -0.212 -0.977 -1.492) 1.796 7.228 ( 3.600 3.380 -1.674) 5.214 7.298 ( -8.975 -1.673 -4.080) 10.000 7.343 ( -3.104 -2.519 2.397) 4.661 7.390 ( 1.719 -4.399 -0.908) 4.810 7.601 ( 8.324 2.381 1.161) 8.735 7.786 ( 0.669 -3.527 0.866) 3.693 8.231 ( -0.048 2.080 -1.587) 2.617 8.466 ( -0.602 -3.052 -0.335) 3.129 8.615 ( 2.216 3.315 -3.867) 5.555 8.775 ( 2.231 -3.440 6.578) 7.751 8.917 ( -3.167 -2.181 -4.860) 6.197 9.061 ( 3.198 -6.278 0.841) 7.096 10.585 ( 0.730 0.054 -1.827) 1.969 10.669 ( -0.506 -2.105 -3.850) 4.417 10.892 ( 1.943 1.096 3.977) 4.560 11.005 ( -1.762 -2.682 1.926) 3.742 12.760 ( 0.847 3.936 -0.051) 4.027 12.967 ( 0.111 -0.976 -2.317) 2.517 13.141 ( 0.177 2.316 1.257) 2.641 13.291 ( 0.343 -0.949 -2.537) 2.731 14.124 ( -2.289 1.795 3.631) 4.652 14.278 ( -1.689 -2.217 5.519) 6.183 14.732 ( -0.047 4.164 -3.529) 5.458 14.948 ( -0.297 -1.158 -2.695) 2.948 16.263 ( -1.470 -0.106 1.344) 1.995 16.480 ( 0.103 -9.333 -1.943) 9.533 17.341 ( -1.084 1.682 1.290) 2.381 17.427 ( -0.456 -0.686 1.189) 1.446 21.249 ( -0.640 4.632 0.226) 4.681 21.502 ( 0.685 -0.528 -3.412) 3.520 21.816 ( -1.739 9.199 1.939) 9.560 22.112 ( 0.729 -0.298 0.837) 1.150 22.720 ( 0.158 -0.253 0.578) 0.651 22.831 ( -0.712 0.304 1.338) 1.545 22.996 ( -0.079 2.185 -1.191) 2.490 23.086 ( 0.494 1.475 -0.569) 1.656 23.329 ( 0.083 3.907 3.880) 5.507 23.696 ( 1.133 -5.402 0.578) 5.549 24.409 ( 0.365 1.588 -0.561) 1.724 24.712 ( -0.995 -5.641 -3.761) 6.852 28.290 ( -0.125 -0.576 0.090) 0.596 28.297 ( -0.778 -0.750 -0.133) 1.089 28.342 ( 0.341 -0.240 -0.398) 0.577 28.354 ( 1.065 -0.219 -0.333) 1.137 28.484 ( 0.682 0.758 1.923) 2.177 28.613 ( 0.024 -2.281 -1.078) 2.523 28.665 ( 1.291 -2.272 -1.074) 2.825 28.711 ( -1.753 -5.263 1.490) 5.744 29.733 ( 0.186 3.573 0.230) 3.585 29.800 ( -1.345 0.842 1.322) 2.065 29.835 ( 0.750 0.307 0.740) 1.097 29.888 ( 0.989 -0.958 0.446) 1.447 29.906 ( -0.568 0.515 -0.698) 1.037 30.193 ( 0.919 -5.461 -1.135) 5.653 30.820 ( 7.478 16.922 -1.432) 18.556 31.266 ( 7.586 5.122 5.174) 10.514 32.019 ( 1.692 3.357 -3.676) 5.258 32.255 ( -6.224 -2.828 4.242) 8.045 32.505 ( -5.183 2.900 1.775) 6.199 32.763 ( -1.715 -3.919 -1.470) 4.524 48.368 ( -0.807 -0.469 0.630) 1.126 48.391 ( -1.526 -0.858 0.137) 1.756 48.520 ( 0.155 1.815 -0.849) 2.010 48.614 ( 1.342 -0.913 -0.981) 1.896 72.859 ( -0.412 0.302 -0.037) 0.512 72.879 ( 0.353 -0.261 -0.096) 0.449 72.896 ( -0.141 -0.507 0.008) 0.527 72.905 ( 0.251 -0.632 -0.043) 0.681 94.745 ( 0.176 1.155 1.094) 1.601 94.892 ( 0.126 -0.975 -0.283) 1.023 95.091 ( -0.677 4.427 2.708) 5.234 95.723 ( -4.874 -8.580 -6.021) 11.560 96.629 ( 0.684 1.670 -0.378) 1.844 96.795 ( 0.988 -2.240 -2.617) 3.584 97.019 ( -3.055 -1.682 3.524) 4.958 97.490 ( -2.326 -22.822 -1.841) 23.014 ======================= Grid point 68 (36/100) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -28.566 14.040 -20.819) 38.033 1.764 ( -18.205 19.473 13.272) 29.778 2.638 ( -5.090 9.198 -14.122) 17.605 2.689 ( -3.294 34.136 4.470) 34.584 3.003 ( -13.704 -11.172 -1.210) 17.722 3.276 ( -2.313 -11.237 -2.869) 11.826 3.341 ( -5.751 -1.401 3.333) 6.794 3.602 ( -1.475 3.830 -6.666) 7.828 3.712 ( 1.627 -7.360 0.500) 7.554 3.800 ( 0.074 -3.167 1.265) 3.411 3.812 ( 2.265 6.378 -2.017) 7.062 3.918 ( 3.702 6.791 -9.244) 12.053 4.070 ( -3.213 -2.848 2.822) 5.138 4.194 ( 1.564 -4.437 -4.558) 6.551 4.380 ( 3.229 6.096 -4.585) 8.283 4.407 ( -7.643 4.699 -3.319) 9.566 4.663 ( -0.147 1.015 1.382) 1.721 4.830 ( -0.344 -1.161 3.154) 3.379 4.958 ( 1.112 1.407 0.741) 1.941 5.015 ( -2.642 -0.306 -2.818) 3.875 5.225 ( -2.602 -0.158 6.982) 7.453 5.416 ( 0.950 6.220 -4.043) 7.479 5.680 ( -0.096 4.944 6.477) 8.149 5.924 ( 7.371 -3.886 -5.457) 9.961 6.048 ( 7.631 1.811 -1.223) 7.938 6.108 ( 3.773 -2.485 8.285) 9.436 6.266 ( 5.351 3.446 3.958) 7.495 6.413 ( 1.086 2.927 8.174) 8.749 6.481 ( 0.976 4.301 -1.663) 4.713 6.781 ( -4.341 -1.780 0.550) 4.724 6.862 ( -4.424 -4.221 3.575) 7.083 7.029 ( 2.947 -0.358 0.097) 2.970 7.136 ( -3.870 -2.177 -1.288) 4.623 7.278 ( 1.217 2.297 0.617) 2.671 7.303 ( -0.295 2.868 -1.739) 3.367 7.424 ( 3.405 -4.986 -2.379) 6.489 7.768 ( 8.619 1.948 -3.477) 9.496 7.818 ( 3.244 -3.830 0.642) 5.060 8.187 ( -2.455 0.680 -3.482) 4.314 8.439 ( -1.584 -4.840 -4.269) 6.645 8.613 ( -0.156 3.092 -5.286) 6.126 8.732 ( -7.334 -2.515 3.516) 8.514 8.925 ( 3.005 -0.921 0.985) 3.294 9.160 ( 6.527 -8.141 3.724) 11.079 10.613 ( 2.864 -0.008 -0.985) 3.029 10.656 ( 1.638 -1.300 -3.174) 3.801 10.924 ( -1.445 0.124 2.963) 3.299 10.973 ( -2.469 -1.495 1.079) 3.081 12.786 ( 1.834 3.819 0.135) 4.239 12.959 ( 0.896 -0.835 -2.965) 3.208 13.159 ( 0.715 1.787 1.487) 2.432 13.273 ( -0.375 -0.795 -2.556) 2.703 14.111 ( -1.725 2.145 3.803) 4.695 14.289 ( -1.738 -2.525 7.284) 7.903 14.708 ( 0.273 4.026 -3.551) 5.375 14.914 ( -1.122 -1.177 -2.578) 3.048 16.219 ( -3.615 -0.129 0.856) 3.717 16.448 ( -2.512 -8.861 -2.201) 9.469 17.326 ( -1.251 1.482 1.007) 2.185 17.408 ( -2.411 -0.659 1.496) 2.913 21.241 ( -0.025 5.510 -0.115) 5.511 21.492 ( 0.928 0.317 -3.650) 3.780 21.779 ( -3.177 8.106 1.755) 8.882 22.100 ( -2.988 -1.938 1.145) 3.741 22.721 ( -0.500 0.043 0.559) 0.751 22.812 ( -2.097 -0.689 1.201) 2.512 22.988 ( 0.445 2.351 -1.796) 2.992 23.083 ( -0.404 0.867 -0.442) 1.054 23.382 ( 2.673 4.405 3.116) 6.022 23.743 ( 2.486 -5.271 2.417) 6.309 24.407 ( -0.182 1.177 -0.363) 1.245 24.659 ( -1.347 -4.924 -3.961) 6.461 28.277 ( -0.898 -0.405 -0.084) 0.989 28.284 ( -0.441 -0.422 -0.171) 0.633 28.351 ( 0.605 0.087 -0.037) 0.612 28.371 ( 0.724 -0.413 -0.362) 0.909 28.512 ( 0.751 -0.930 1.587) 1.987 28.601 ( -0.823 -2.513 -0.146) 2.648 28.670 ( -0.131 -2.308 -0.986) 2.513 28.715 ( 1.345 -1.672 0.607) 2.230 29.729 ( -1.126 4.458 0.913) 4.687 29.789 ( -0.261 -0.322 0.513) 0.659 29.856 ( 0.855 0.288 0.756) 1.177 29.888 ( -0.436 0.392 -0.759) 0.959 29.915 ( 1.190 -1.097 0.184) 1.629 30.213 ( 1.516 -5.770 -0.174) 5.968 30.959 ( 9.261 16.338 -6.327) 19.817 31.475 ( 11.064 4.275 -3.039) 12.245 32.037 ( -0.043 2.655 10.078) 10.422 32.105 ( -8.984 1.720 1.174) 9.222 32.481 ( 0.652 1.872 1.160) 2.297 32.807 ( 5.826 -4.597 1.838) 7.645 48.344 ( -1.837 -0.302 0.295) 1.885 48.370 ( -0.762 -0.812 0.104) 1.118 48.517 ( 0.119 2.057 -0.761) 2.196 48.638 ( 1.699 -1.420 -0.757) 2.340 72.850 ( -0.450 0.090 -0.025) 0.459 72.877 ( -0.499 -0.635 -0.166) 0.824 72.899 ( 0.353 -0.300 -0.031) 0.465 72.909 ( 0.178 -0.404 -0.030) 0.443 94.754 ( -0.131 2.021 1.229) 2.369 94.888 ( 0.221 0.568 -1.741) 1.845 95.096 ( -1.840 1.275 5.273) 5.728 95.566 ( -6.221 -8.371 -9.762) 14.285 96.629 ( -0.521 1.581 -0.037) 1.665 96.794 ( 0.969 -2.450 -2.732) 3.796 96.968 ( -4.804 -2.350 3.132) 6.197 97.335 ( -13.242 -21.096 1.511) 24.953 ======================= Grid point 69 (37/100) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -20.044 22.029 -5.588) 30.303 1.540 ( -14.940 22.309 18.128) 32.396 2.563 ( 2.182 12.007 -0.216) 12.205 2.594 ( -7.634 11.271 2.233) 13.795 2.771 ( -7.413 2.584 1.072) 7.923 3.241 ( -3.032 -5.257 6.028) 8.554 3.266 ( -3.038 -11.242 2.207) 11.852 3.576 ( 1.351 8.169 -3.148) 8.858 3.736 ( -0.631 -0.561 0.082) 0.848 3.757 ( -0.522 3.311 -0.250) 3.361 3.912 ( 4.932 -1.792 4.162) 6.698 3.974 ( 5.291 5.700 -4.093) 8.789 4.080 ( 1.537 2.242 0.515) 2.766 4.230 ( -1.636 5.433 -10.700) 12.111 4.281 ( 6.437 -5.782 0.354) 8.660 4.404 ( 3.738 2.993 -6.883) 8.385 4.686 ( -0.330 0.509 4.377) 4.419 4.820 ( -3.027 1.097 4.406) 5.457 4.955 ( -2.821 -3.574 -0.566) 4.589 5.009 ( 3.340 1.595 -0.755) 3.778 5.188 ( -6.295 -1.313 8.158) 10.387 5.409 ( 1.602 9.304 -5.776) 11.067 5.705 ( -1.318 3.207 3.964) 5.266 6.002 ( 5.664 -3.292 -9.142) 11.247 6.129 ( -0.766 -4.449 -4.063) 6.073 6.189 ( 4.789 -1.039 0.536) 4.930 6.343 ( 0.964 3.629 -2.462) 4.490 6.459 ( -0.314 0.138 -0.765) 0.838 6.488 ( 1.426 1.830 6.205) 6.625 6.654 ( -7.945 1.462 2.467) 8.446 6.813 ( -5.234 -4.289 6.208) 9.183 7.048 ( -1.393 -2.854 3.129) 4.458 7.150 ( 2.047 1.656 1.629) 3.096 7.272 ( 2.351 0.703 -4.367) 5.009 7.347 ( 2.613 5.279 1.169) 6.006 7.465 ( 2.230 -3.278 -2.770) 4.836 7.862 ( 7.579 -0.371 -4.348) 8.745 7.950 ( 8.476 0.050 -2.392) 8.807 8.110 ( -2.547 -2.515 -2.813) 4.552 8.321 ( -5.072 -9.781 -9.610) 14.620 8.550 ( -3.374 0.271 2.953) 4.492 8.659 ( -3.665 -1.228 3.162) 4.994 8.962 ( 0.217 2.330 -0.582) 2.411 9.324 ( 6.818 -8.041 0.775) 10.571 10.656 ( 2.448 0.314 -1.968) 3.156 10.679 ( 2.310 -0.397 -2.629) 3.522 10.884 ( -3.172 -0.330 -0.050) 3.190 10.932 ( -2.752 -1.799 1.747) 3.724 12.825 ( 1.715 3.693 0.801) 4.150 12.961 ( 1.418 -0.528 -2.294) 2.748 13.186 ( 0.912 0.807 1.223) 1.726 13.246 ( -0.411 -0.572 -2.647) 2.739 14.113 ( -1.116 2.217 4.522) 5.158 14.314 ( -2.045 -3.604 9.957) 10.785 14.700 ( 1.204 3.524 -2.772) 4.643 14.879 ( -0.671 -1.043 -1.955) 2.315 16.157 ( -2.604 0.975 -0.097) 2.782 16.352 ( -5.388 -5.087 -1.870) 7.643 17.313 ( -0.685 0.968 0.930) 1.507 17.365 ( -2.842 -0.156 1.251) 3.109 21.250 ( 1.174 6.383 -0.542) 6.513 21.491 ( 1.768 0.811 -3.954) 4.406 21.737 ( -1.839 6.892 1.129) 7.222 22.013 ( -6.563 -1.668 0.772) 6.815 22.711 ( -0.791 0.953 0.600) 1.376 22.777 ( -1.984 -1.045 0.477) 2.292 22.991 ( 1.214 2.167 -1.776) 3.054 23.067 ( -0.869 0.128 -0.517) 1.019 23.448 ( 2.282 4.212 0.204) 4.795 23.808 ( 1.287 -6.503 4.325) 7.915 24.398 ( -0.346 0.986 -0.616) 1.213 24.620 ( -0.002 -4.584 -3.061) 5.512 28.265 ( -0.301 -0.421 -0.525) 0.737 28.275 ( -0.251 -0.371 -0.164) 0.477 28.362 ( 0.457 0.428 0.210) 0.661 28.376 ( 0.159 -0.505 -0.331) 0.625 28.528 ( 0.338 -1.358 -0.089) 1.403 28.580 ( -1.275 -1.655 0.071) 2.090 28.666 ( -0.065 0.275 0.846) 0.892 28.748 ( 1.565 -1.248 0.138) 2.007 29.710 ( -1.218 3.660 0.724) 3.925 29.790 ( -0.194 -0.997 0.310) 1.062 29.872 ( 0.202 0.617 0.125) 0.662 29.884 ( 0.512 0.834 0.241) 1.008 29.934 ( 0.769 -1.172 -0.304) 1.434 30.239 ( 0.812 -6.842 0.797) 6.936 31.058 ( 7.786 14.703 -12.530) 20.827 31.482 ( 0.570 7.156 -27.446) 28.369 31.940 ( -6.836 1.944 0.649) 7.137 32.210 ( 3.168 -7.148 8.447) 11.510 32.632 ( 9.154 2.246 23.763) 25.565 32.979 ( 7.686 -5.332 9.512) 13.341 48.319 ( -1.015 0.247 1.253) 1.631 48.362 ( -0.307 -1.094 0.615) 1.293 48.514 ( 0.170 2.247 -0.660) 2.348 48.661 ( 1.115 -1.891 -0.880) 2.365 72.843 ( -0.216 0.014 -0.017) 0.217 72.863 ( -0.776 -0.484 -0.230) 0.943 72.905 ( 0.301 -0.249 -0.064) 0.396 72.911 ( -0.008 -0.307 -0.027) 0.308 94.756 ( -0.440 2.878 1.021) 3.086 94.884 ( 1.118 1.321 -2.429) 2.983 95.088 ( -3.489 -0.471 6.403) 7.308 95.383 ( -4.786 -6.349 -5.644) 9.751 96.613 ( -0.922 1.604 -0.256) 1.867 96.799 ( 1.411 -3.015 -2.189) 3.984 96.871 ( -8.814 -3.497 4.665) 10.568 97.085 ( -12.250 -10.345 4.019) 16.530 ======================= Grid point 70 (38/100) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.889 25.346 9.070) 27.360 2.077 ( 0.522 -1.216 9.152) 9.248 2.115 ( 5.099 3.793 12.105) 13.672 2.642 ( 5.085 -17.393 5.429) 18.917 2.915 ( 1.118 -5.282 14.633) 15.597 2.961 ( -1.605 -3.928 6.672) 7.907 3.567 ( 1.476 13.225 -2.019) 13.459 3.672 ( 2.633 0.540 6.376) 6.920 3.788 ( 2.710 6.536 8.707) 11.219 3.901 ( 0.987 -0.758 0.998) 1.595 4.020 ( 1.960 12.093 -6.219) 13.739 4.074 ( 1.334 3.474 1.314) 3.947 4.216 ( 4.272 -1.811 -2.459) 5.251 4.303 ( 5.717 -5.425 -6.363) 10.129 4.466 ( 0.480 14.192 -3.646) 14.661 4.534 ( 5.620 5.239 -7.310) 10.605 4.672 ( -1.450 -7.138 -0.705) 7.318 4.751 ( 0.312 0.549 5.783) 5.817 4.909 ( -7.241 -4.542 0.870) 8.592 4.994 ( -1.911 0.985 6.909) 7.236 5.040 ( -4.511 2.152 12.484) 13.447 5.355 ( -0.670 -15.352 4.059) 15.894 5.657 ( -2.943 5.995 -15.761) 17.117 5.820 ( -0.743 -8.536 -15.259) 17.500 6.123 ( -0.793 7.964 -3.007) 8.550 6.255 ( 2.133 -3.022 -3.481) 5.079 6.352 ( -4.258 4.943 -5.534) 8.555 6.427 ( -0.648 -3.115 4.795) 5.755 6.497 ( 1.372 -0.960 1.496) 2.245 6.553 ( -3.844 -6.283 5.960) 9.475 6.894 ( -1.502 11.632 4.223) 12.466 7.013 ( -1.353 -1.160 4.071) 4.444 7.203 ( -1.920 4.368 -2.235) 5.269 7.325 ( -0.612 0.263 -3.505) 3.568 7.391 ( 0.954 -3.516 -1.608) 3.983 7.422 ( 2.912 -3.833 -0.766) 4.874 7.895 ( -5.516 -0.359 -5.547) 7.831 7.951 ( -6.397 -4.639 -5.047) 9.376 8.102 ( 14.267 1.582 -4.505) 15.045 8.144 ( 14.001 -1.958 -3.215) 14.499 8.533 ( -2.321 0.187 5.955) 6.394 8.570 ( -4.070 -2.727 6.583) 8.206 9.022 ( -2.923 6.235 -4.330) 8.134 9.174 ( -2.498 -7.752 -5.689) 9.935 10.696 ( 1.771 0.399 -1.367) 2.273 10.700 ( 1.802 -0.024 -1.565) 2.387 10.831 ( -1.673 0.528 -0.861) 1.954 10.855 ( -1.755 -1.754 0.396) 2.512 12.922 ( 0.493 2.915 0.539) 3.005 12.969 ( 1.471 -1.401 0.243) 2.046 13.198 ( -0.575 0.465 -0.422) 0.852 13.214 ( 0.287 -0.903 -1.655) 1.907 14.184 ( -1.498 2.856 6.034) 6.841 14.250 ( -2.784 -3.334 7.950) 9.059 14.780 ( 1.582 3.024 -1.926) 3.919 14.837 ( 1.254 -2.122 -1.815) 3.061 16.187 ( 0.456 2.097 0.343) 2.174 16.232 ( -0.016 -2.113 -0.305) 2.135 17.324 ( -0.532 0.471 0.975) 1.207 17.332 ( -0.895 -0.206 0.792) 1.213 21.397 ( 0.723 5.163 -0.786) 5.273 21.479 ( 1.032 -2.462 -1.505) 3.065 21.850 ( 0.115 4.456 -0.151) 4.461 21.910 ( -1.496 -1.113 0.264) 1.883 22.729 ( -0.727 1.153 0.684) 1.525 22.747 ( -0.445 -0.378 1.009) 1.166 23.027 ( 0.831 0.652 -2.537) 2.748 23.043 ( 0.600 -0.496 -1.795) 1.956 23.559 ( -1.569 5.240 2.203) 5.897 23.683 ( -1.944 -6.364 3.440) 7.491 24.433 ( 0.838 3.002 -2.088) 3.751 24.517 ( 1.519 -4.712 -2.197) 5.417 28.251 ( -0.108 0.134 -0.781) 0.800 28.259 ( -0.019 -0.540 -0.677) 0.866 28.368 ( -0.272 0.142 0.203) 0.368 28.374 ( 0.106 -0.273 0.433) 0.523 28.531 ( 0.148 0.771 0.182) 0.806 28.551 ( 0.290 -0.943 0.794) 1.266 28.692 ( -0.191 1.498 -0.190) 1.522 28.731 ( 0.241 -2.003 -0.331) 2.044 29.739 ( -0.606 1.179 0.277) 1.354 29.761 ( -0.320 -1.064 0.282) 1.147 29.885 ( -0.488 0.907 -0.511) 1.150 29.904 ( -0.048 -0.837 -0.858) 1.200 29.980 ( 0.137 4.405 2.790) 5.216 30.098 ( -0.678 -6.443 2.451) 6.926 31.298 ( 1.880 7.590 -16.746) 18.482 31.372 ( -2.114 1.452 -20.753) 20.911 31.931 ( -1.185 4.834 -1.173) 5.113 32.065 ( 0.008 -7.459 -2.761) 7.953 32.921 ( 1.029 1.974 19.365) 19.492 33.012 ( 0.112 -6.197 16.260) 17.401 48.330 ( 0.095 0.418 1.779) 1.830 48.346 ( 0.221 -0.981 1.642) 1.925 48.564 ( 0.217 2.451 -0.879) 2.613 48.617 ( 0.154 -2.418 -1.098) 2.660 72.843 ( 0.008 0.136 -0.004) 0.137 72.847 ( 0.000 -0.232 -0.070) 0.243 72.904 ( 0.047 -0.115 -0.050) 0.134 72.904 ( -0.025 -0.130 -0.061) 0.146 94.826 ( -0.855 3.517 1.126) 3.791 94.892 ( -0.198 -2.271 0.577) 2.351 95.108 ( 0.638 5.123 2.256) 5.634 95.253 ( 5.239 -8.120 2.332) 9.941 96.638 ( -0.995 3.239 -0.496) 3.424 96.713 ( -0.673 -3.543 0.762) 3.685 96.815 ( -0.388 2.525 1.907) 3.188 96.888 ( -1.319 -3.964 2.076) 4.665 ======================= Grid point 71 (39/100) ======================= q-point: ( 0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 14.018 21.954 8.190) 27.304 2.253 ( 10.652 -7.763 6.807) 14.834 2.415 ( 13.543 8.996 16.578) 23.220 2.830 ( 7.951 -13.590 8.215) 17.760 3.013 ( 2.745 -0.238 5.064) 5.765 3.076 ( 4.793 -10.156 14.011) 17.956 3.607 ( 4.231 16.250 -2.195) 16.935 3.747 ( 2.128 -0.122 -0.030) 2.131 3.884 ( 1.009 9.389 2.784) 9.844 3.916 ( -1.653 8.628 6.516) 10.938 4.023 ( 0.640 -2.036 0.058) 2.135 4.127 ( 1.227 4.386 10.194) 11.165 4.267 ( 2.973 0.734 1.835) 3.570 4.352 ( 3.890 -0.950 -4.749) 6.212 4.455 ( 0.363 2.943 -2.753) 4.046 4.606 ( 4.980 2.964 -6.423) 8.651 4.646 ( -2.460 -3.833 2.456) 5.174 4.749 ( -2.957 -9.377 1.562) 9.955 4.844 ( -1.760 4.799 7.678) 9.224 4.994 ( -2.621 -0.104 3.351) 4.256 5.069 ( -0.246 3.047 9.870) 10.333 5.359 ( -1.999 -15.684 3.006) 16.094 5.481 ( -1.623 8.346 -16.878) 18.899 5.671 ( -2.227 -9.212 -17.149) 19.594 6.075 ( -2.179 8.915 -2.637) 9.549 6.210 ( -4.866 7.907 -6.751) 11.479 6.226 ( -1.583 -3.761 -6.007) 7.262 6.378 ( -5.361 -7.187 -0.137) 8.967 6.579 ( 4.690 -0.679 2.298) 5.266 6.627 ( 6.625 -5.376 4.655) 9.719 6.874 ( -3.459 12.769 3.362) 13.649 6.997 ( -3.393 -0.573 4.983) 6.055 7.127 ( -2.931 3.135 -4.053) 5.903 7.256 ( -2.232 -4.420 -4.934) 6.990 7.424 ( 2.183 -0.438 0.200) 2.236 7.464 ( 1.753 -1.993 -0.140) 2.658 7.765 ( -4.200 -1.967 -4.450) 6.427 7.805 ( -6.371 -4.064 -2.579) 7.985 8.286 ( 4.428 4.486 -3.445) 7.184 8.345 ( 9.733 -0.718 -5.783) 11.344 8.553 ( 0.086 0.320 5.483) 5.493 8.620 ( 6.285 -5.367 2.446) 8.620 8.904 ( -5.013 5.579 -2.737) 7.984 9.032 ( -5.733 -5.995 -6.439) 10.500 10.701 ( -1.192 0.837 0.812) 1.668 10.716 ( 0.357 -0.354 0.306) 0.588 10.824 ( 1.514 -0.518 -2.431) 2.911 10.833 ( -0.029 -1.504 -0.661) 1.643 12.915 ( -1.531 3.910 0.433) 4.222 12.987 ( -0.279 -2.487 0.806) 2.630 13.184 ( -0.150 1.416 -0.735) 1.603 13.220 ( 1.440 -1.621 -1.460) 2.614 14.195 ( -1.751 2.167 5.773) 6.410 14.245 ( -3.073 -2.507 6.873) 7.935 14.805 ( 2.085 3.034 -1.579) 4.006 14.861 ( 2.399 -2.112 -1.564) 3.558 16.206 ( 1.301 2.321 0.370) 2.686 16.265 ( 3.034 -3.277 -0.118) 4.467 17.328 ( 0.412 0.476 0.914) 1.110 17.337 ( 0.815 -0.268 0.661) 1.084 21.392 ( -0.757 5.276 -0.248) 5.336 21.480 ( -0.009 -2.881 -1.053) 3.068 21.877 ( 2.712 4.581 -0.287) 5.331 21.931 ( 3.537 -0.607 -0.776) 3.671 22.725 ( -0.153 1.412 0.513) 1.510 22.755 ( 0.500 -0.897 0.909) 1.372 23.026 ( 1.025 1.148 -2.365) 2.822 23.054 ( 1.710 -0.641 -1.766) 2.541 23.521 ( -3.767 5.692 2.390) 7.232 23.648 ( -3.657 -6.265 2.625) 7.715 24.442 ( 1.523 3.689 -2.003) 4.466 24.543 ( 2.509 -5.597 -1.750) 6.379 28.248 ( 0.386 0.221 -0.749) 0.871 28.257 ( 0.372 -0.615 -0.737) 1.029 28.361 ( -0.613 0.437 0.177) 0.774 28.373 ( -0.449 -0.581 0.241) 0.773 28.529 ( -0.443 1.747 0.388) 1.844 28.565 ( 0.440 -1.317 0.932) 1.673 28.674 ( -1.392 1.211 -0.501) 1.911 28.719 ( -1.278 -2.665 -0.239) 2.965 29.739 ( 0.403 1.342 0.039) 1.402 29.766 ( 0.555 -1.219 0.326) 1.379 29.864 ( -1.149 0.940 -0.706) 1.644 29.887 ( -0.987 -1.125 -0.951) 1.774 29.998 ( -0.484 3.930 2.960) 4.944 30.099 ( -1.042 -5.553 2.319) 6.107 31.165 ( -1.454 8.028 -19.920) 21.526 31.223 ( -0.592 2.145 -12.412) 12.610 31.935 ( 2.156 4.403 -0.954) 4.995 32.059 ( 1.544 -6.865 -2.716) 7.542 32.996 ( -6.079 0.201 16.160) 17.267 33.043 ( -8.287 -4.063 15.081) 17.682 48.349 ( 0.420 0.445 1.756) 1.860 48.368 ( 0.561 -1.337 2.128) 2.575 48.561 ( 0.125 2.193 -0.981) 2.406 48.607 ( -0.257 -2.077 -1.325) 2.477 72.846 ( 0.307 0.216 -0.008) 0.376 72.852 ( 0.503 -0.364 -0.079) 0.626 72.901 ( -0.220 -0.006 -0.075) 0.232 72.904 ( -0.077 -0.247 -0.056) 0.265 94.806 ( -1.676 3.161 0.604) 3.628 94.874 ( -1.912 -2.986 0.585) 3.594 95.176 ( 4.148 9.332 2.175) 10.441 95.426 ( 8.587 -14.289 3.892) 17.119 96.622 ( 0.228 4.025 -1.211) 4.209 96.708 ( 0.136 -3.936 -0.533) 3.974 96.875 ( 5.027 0.547 1.983) 5.432 96.913 ( 1.963 -2.700 2.390) 4.106 ======================= Grid point 72 (40/100) ======================= q-point: ( 0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 13.355 19.999 6.428) 24.893 2.504 ( 11.027 -6.504 2.464) 13.038 2.739 ( 8.310 2.342 10.793) 13.822 2.973 ( 1.512 -7.703 5.690) 9.696 3.142 ( 8.048 2.264 0.410) 8.371 3.244 ( 4.597 -6.689 4.265) 9.169 3.687 ( 3.199 10.012 -0.016) 10.510 3.746 ( -0.262 2.315 -3.070) 3.854 3.857 ( -2.564 11.948 -0.895) 12.252 3.957 ( 2.203 8.529 4.215) 9.765 4.045 ( 2.303 -4.519 1.447) 5.274 4.209 ( -4.148 9.790 7.528) 13.027 4.306 ( -1.615 -3.391 -1.762) 4.149 4.391 ( -1.943 -2.723 4.755) 5.814 4.453 ( 0.992 -0.926 2.448) 2.799 4.554 ( -1.711 -8.955 -5.690) 10.747 4.646 ( -0.285 5.408 0.831) 5.479 4.747 ( 0.283 -3.798 1.729) 4.182 4.847 ( -3.265 3.478 6.080) 7.728 4.983 ( 1.449 -2.877 2.958) 4.373 5.157 ( 2.563 -0.389 7.039) 7.501 5.282 ( -2.925 -7.997 -6.832) 10.917 5.439 ( 3.154 2.939 -5.210) 6.762 5.554 ( 1.836 -6.018 -10.170) 11.959 6.020 ( -1.667 8.438 -0.674) 8.627 6.066 ( -3.872 8.101 -7.361) 11.610 6.183 ( 0.548 -0.972 -3.388) 3.567 6.262 ( -6.232 -7.037 0.535) 9.416 6.683 ( 3.678 2.274 0.909) 4.419 6.733 ( -1.350 2.278 2.277) 3.492 6.872 ( 4.461 2.649 0.037) 5.188 6.951 ( -0.450 -3.931 -2.911) 4.912 7.089 ( -0.411 3.264 1.409) 3.579 7.198 ( -1.016 -3.338 -1.440) 3.775 7.444 ( -0.995 -0.024 0.313) 1.043 7.484 ( -0.807 -2.019 2.309) 3.171 7.651 ( -5.356 -0.769 -3.273) 6.324 7.699 ( -2.145 -3.179 -1.358) 4.068 8.288 ( 0.019 5.007 -2.243) 5.486 8.391 ( 0.298 -4.461 -2.592) 5.168 8.624 ( 3.334 3.300 -0.933) 4.783 8.687 ( 0.290 -1.432 -3.267) 3.579 8.878 ( 2.776 0.708 0.310) 2.881 8.944 ( 0.096 -4.421 -2.143) 4.914 10.670 ( -1.995 1.575 -0.493) 2.589 10.713 ( -1.347 -2.387 0.168) 2.746 10.818 ( 1.095 1.968 -1.249) 2.576 10.872 ( 2.320 -3.253 1.143) 4.156 12.880 ( -1.896 4.519 -0.219) 4.905 12.969 ( -1.612 -3.454 0.030) 3.812 13.186 ( 0.556 2.715 -0.285) 2.786 13.241 ( 1.532 -2.237 -1.106) 2.928 14.194 ( -2.237 1.771 4.978) 5.737 14.234 ( -2.396 -1.933 5.353) 6.175 14.831 ( 1.779 3.533 -1.964) 4.417 14.897 ( 2.326 -2.463 -1.879) 3.873 16.240 ( 1.887 2.578 0.284) 3.207 16.317 ( 2.082 -4.814 -0.003) 5.245 17.350 ( 0.898 0.756 1.232) 1.702 17.365 ( 1.457 -0.590 0.800) 1.764 21.374 ( -0.972 5.148 0.224) 5.244 21.468 ( -0.516 -3.511 -0.681) 3.614 21.939 ( 3.729 5.610 -0.632) 6.766 22.007 ( 4.585 -1.011 -1.292) 4.870 22.729 ( 0.103 1.864 0.649) 1.976 22.776 ( 0.898 -1.889 0.923) 2.286 23.036 ( 1.519 2.301 -1.673) 3.225 23.078 ( 1.929 -0.685 -1.742) 2.688 23.463 ( -4.016 5.715 2.980) 7.594 23.593 ( -3.565 -6.458 2.077) 7.663 24.459 ( 1.598 4.435 -1.908) 5.086 24.578 ( 2.272 -6.451 -1.824) 7.078 28.257 ( 1.051 0.054 -0.530) 1.178 28.264 ( 0.751 -0.519 -0.570) 1.076 28.350 ( -0.585 0.399 0.047) 0.709 28.361 ( -0.792 -0.611 0.010) 1.001 28.523 ( -0.517 2.709 0.542) 2.810 28.579 ( 0.420 -2.034 0.804) 2.227 28.637 ( -1.931 0.522 -0.765) 2.142 28.683 ( -2.263 -3.262 -0.068) 3.971 29.752 ( 0.877 1.587 -0.049) 1.814 29.784 ( 0.910 -1.310 0.680) 1.734 29.839 ( -0.798 0.684 -0.515) 1.170 29.861 ( -0.973 -1.261 -0.610) 1.706 29.999 ( -1.260 3.890 2.286) 4.685 30.091 ( -1.240 -4.795 1.801) 5.271 31.045 ( 0.954 10.393 -11.883) 15.815 31.159 ( 1.646 -0.500 -8.191) 8.369 31.988 ( 3.957 3.595 -1.530) 5.561 32.088 ( 2.927 -5.700 -1.470) 6.574 32.919 ( -12.557 0.046 12.216) 17.519 32.938 ( -10.218 -1.837 9.336) 13.963 48.366 ( 0.171 0.576 1.414) 1.536 48.388 ( -0.059 -1.415 1.817) 2.304 48.557 ( 0.243 1.780 -1.030) 2.071 48.593 ( -0.149 -1.526 -1.378) 2.061 72.855 ( 0.613 0.301 -0.003) 0.683 72.863 ( 0.649 -0.439 -0.086) 0.788 72.895 ( -0.390 0.076 -0.072) 0.404 72.900 ( -0.300 -0.372 -0.057) 0.481 94.780 ( -1.278 2.564 0.493) 2.907 94.842 ( -1.589 -3.093 0.603) 3.529 95.259 ( 2.898 12.001 0.884) 12.378 95.563 ( 3.138 -16.069 1.636) 16.454 96.633 ( 1.899 3.615 -1.648) 4.403 96.714 ( 1.178 -3.742 -1.424) 4.173 96.976 ( 2.474 -0.612 2.531) 3.592 97.011 ( 7.106 -4.512 1.586) 8.565 ======================= Grid point 73 (41/100) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 5.439 18.458 6.407) 20.281 2.646 ( 2.564 2.401 -2.680) 4.418 2.866 ( -0.423 -8.747 5.639) 10.416 3.005 ( -0.720 -7.288 4.225) 8.454 3.235 ( 3.292 4.115 -6.836) 8.631 3.291 ( 2.186 0.306 -8.995) 9.262 3.642 ( -5.349 0.970 -2.526) 5.994 3.688 ( -3.758 -2.527 -4.137) 6.133 3.836 ( -1.248 20.922 -0.097) 20.959 3.996 ( -9.283 12.776 -5.135) 16.607 4.064 ( 1.846 0.806 -0.326) 2.041 4.123 ( -0.568 -1.484 -3.716) 4.041 4.186 ( -6.075 -2.562 -5.527) 8.603 4.296 ( -4.639 -5.990 4.352) 8.738 4.417 ( -5.173 -1.311 -4.392) 6.912 4.514 ( -0.946 -12.079 -2.529) 12.378 4.730 ( -2.435 3.043 5.598) 6.821 4.740 ( 7.158 3.462 2.075) 8.218 4.906 ( 2.608 3.264 7.113) 8.249 5.061 ( 2.868 -2.009 4.261) 5.516 5.183 ( -3.695 -2.986 -0.973) 4.850 5.249 ( 1.998 -6.987 3.774) 8.189 5.507 ( 7.459 4.782 -1.276) 8.951 5.612 ( 6.833 -4.618 -0.731) 8.280 5.981 ( -0.638 6.726 -3.982) 7.842 6.019 ( 0.314 4.802 2.147) 5.269 6.165 ( -1.279 1.317 0.595) 1.930 6.231 ( 1.963 -2.934 5.083) 6.188 6.647 ( -2.995 6.809 -2.543) 7.861 6.740 ( -1.756 -1.707 2.607) 3.577 6.901 ( 4.190 2.895 -5.987) 7.860 7.043 ( 5.551 -8.036 -4.256) 10.654 7.082 ( 0.269 4.717 2.603) 5.395 7.222 ( 2.396 -2.254 1.932) 3.815 7.397 ( -4.150 -0.732 1.358) 4.428 7.419 ( -5.749 -5.108 -0.047) 7.690 7.589 ( -0.398 5.329 1.325) 5.506 7.688 ( 0.604 -3.976 0.674) 4.077 8.288 ( 1.036 3.936 -0.918) 4.172 8.381 ( 0.124 -4.806 -0.496) 4.833 8.650 ( 1.799 2.155 -2.156) 3.539 8.676 ( 1.032 -0.186 0.046) 1.050 8.927 ( 1.857 -1.651 -2.260) 3.359 8.943 ( 0.071 -2.512 -2.788) 3.753 10.625 ( -1.480 1.370 -2.473) 3.191 10.666 ( -1.813 -2.544 -3.228) 4.492 10.862 ( 2.221 2.591 3.238) 4.704 10.923 ( 1.335 -3.308 3.135) 4.749 12.851 ( -0.682 4.505 -0.617) 4.598 12.940 ( -0.941 -3.451 -0.886) 3.685 13.195 ( 0.335 3.134 0.078) 3.153 13.256 ( 0.797 -2.441 -1.112) 2.799 14.183 ( -2.228 2.070 4.218) 5.200 14.229 ( -1.846 -2.159 4.542) 5.357 14.840 ( 0.839 4.051 -2.744) 4.965 14.915 ( 1.142 -2.827 -2.555) 3.978 16.272 ( 0.949 1.776 0.410) 2.055 16.338 ( 0.301 -4.748 -0.162) 4.760 17.371 ( 0.173 1.164 1.573) 1.965 17.395 ( 0.786 -0.999 1.189) 1.741 21.361 ( -0.603 4.883 0.292) 4.929 21.455 ( -0.286 -3.795 -0.600) 3.853 21.990 ( 1.907 6.154 -0.897) 6.505 22.069 ( 2.642 -1.498 -1.038) 3.210 22.736 ( 0.010 2.263 0.937) 2.450 22.796 ( 0.365 -2.741 1.076) 2.967 23.055 ( 1.153 3.100 -0.906) 3.429 23.098 ( 1.344 -0.330 -1.704) 2.195 23.423 ( -2.320 5.470 3.412) 6.852 23.555 ( -1.665 -6.734 2.050) 7.233 24.471 ( 1.027 4.660 -1.890) 5.132 24.596 ( 1.006 -6.663 -2.381) 7.147 28.275 ( 0.734 -0.199 -0.130) 0.772 28.278 ( 1.030 -0.413 -0.240) 1.135 28.342 ( -0.194 0.146 -0.127) 0.274 28.347 ( -0.533 -0.312 -0.165) 0.639 28.518 ( -0.429 2.952 0.595) 3.042 28.588 ( -0.893 -3.393 0.335) 3.524 28.603 ( 0.219 0.559 -0.849) 1.039 28.644 ( -1.551 -3.172 0.236) 3.538 29.768 ( 0.793 1.758 -0.005) 1.929 29.804 ( 0.311 -1.308 1.077) 1.722 29.831 ( 0.126 0.554 0.130) 0.582 29.850 ( 0.036 -1.181 0.193) 1.197 29.984 ( -1.520 4.154 1.214) 4.587 30.079 ( -1.038 -4.719 1.247) 4.990 31.041 ( 4.858 11.250 -5.632) 13.486 31.180 ( 4.769 -1.788 -2.997) 5.910 32.052 ( 3.612 3.305 -1.545) 5.134 32.141 ( 2.693 -5.093 0.675) 5.800 32.739 ( -11.952 2.509 5.622) 13.445 32.795 ( -9.423 -2.884 4.094) 10.671 48.373 ( -0.383 0.454 0.987) 1.152 48.389 ( -0.843 -1.065 1.147) 1.778 48.556 ( 0.388 1.533 -1.021) 1.882 48.585 ( 0.365 -1.190 -1.225) 1.746 72.867 ( 0.628 0.312 0.003) 0.702 72.872 ( 0.243 -0.113 -0.100) 0.286 72.888 ( -0.115 -0.158 -0.013) 0.196 72.893 ( -0.435 -0.466 -0.040) 0.639 94.770 ( -0.252 2.272 1.004) 2.497 94.830 ( -0.347 -3.128 1.206) 3.370 95.286 ( -0.006 11.967 -1.022) 12.011 95.573 ( -1.521 -14.064 -1.903) 14.273 96.660 ( 1.684 3.002 -1.086) 3.609 96.729 ( 1.265 -3.259 -1.333) 3.741 97.023 ( 0.365 1.407 2.302) 2.723 97.127 ( 3.441 -9.168 0.855) 9.830 ======================= Grid point 74 (42/100) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -8.930 18.431 6.346) 21.441 2.528 ( -10.508 13.478 -10.885) 20.263 2.791 ( -10.066 -13.537 0.231) 16.871 2.957 ( -7.932 -18.736 -1.204) 20.381 3.135 ( -7.398 7.045 -14.064) 17.383 3.236 ( -0.076 3.611 -7.827) 8.620 3.564 ( -2.468 -0.483 -2.512) 3.554 3.577 ( 1.679 -2.492 -5.684) 6.429 3.751 ( -4.245 8.125 -5.987) 10.949 3.806 ( -4.752 2.760 -4.702) 7.233 3.929 ( -3.747 8.309 -0.781) 9.148 4.060 ( -3.959 -0.948 -4.147) 5.811 4.183 ( 1.187 7.383 1.284) 7.587 4.229 ( -5.746 -1.310 -8.295) 10.175 4.376 ( 4.244 -1.463 4.347) 6.248 4.511 ( 1.422 -12.162 -0.881) 12.276 4.727 ( -2.363 7.294 6.003) 9.738 4.849 ( 3.270 4.325 -0.771) 5.476 4.958 ( -1.705 5.250 2.618) 6.110 5.097 ( -2.586 1.913 1.739) 3.657 5.156 ( 1.058 -3.061 3.161) 4.525 5.282 ( 0.273 -15.172 0.799) 15.196 5.671 ( 7.023 3.707 1.712) 8.124 5.747 ( 7.023 -1.972 -0.985) 7.361 5.999 ( 3.124 4.577 2.746) 6.185 6.047 ( 1.757 0.490 2.272) 2.913 6.221 ( 3.650 5.990 6.764) 9.745 6.332 ( 2.876 -2.813 8.029) 8.981 6.590 ( -0.262 5.143 -4.600) 6.905 6.712 ( -1.145 -5.878 -1.068) 6.083 6.932 ( -0.882 5.410 0.030) 5.481 7.046 ( 0.572 5.009 1.874) 5.379 7.131 ( -0.745 -7.090 -2.037) 7.414 7.239 ( -1.301 -6.145 -0.338) 6.290 7.326 ( 1.746 4.017 -0.773) 4.448 7.396 ( 0.376 -0.978 0.684) 1.251 7.621 ( 2.550 2.308 2.372) 4.178 7.712 ( 1.105 -4.459 0.824) 4.667 8.288 ( -0.810 3.185 -1.902) 3.797 8.373 ( -0.806 -4.788 -1.885) 5.208 8.694 ( 4.299 4.061 -2.599) 6.460 8.752 ( 6.067 -0.119 2.778) 6.674 8.866 ( -4.482 -1.095 -3.962) 6.081 8.928 ( -1.067 -5.775 -0.566) 5.900 10.595 ( 0.542 0.897 -2.411) 2.628 10.624 ( 0.136 -1.841 -3.256) 3.743 10.920 ( 0.818 1.492 3.930) 4.283 10.956 ( -0.473 -1.908 3.266) 3.812 12.848 ( 0.795 4.091 -0.912) 4.266 12.925 ( 0.332 -2.947 -1.696) 3.417 13.199 ( 0.010 2.903 0.314) 2.920 13.256 ( 0.059 -2.294 -1.154) 2.569 14.172 ( -1.930 2.548 4.067) 5.173 14.227 ( -1.712 -2.535 4.736) 5.638 14.825 ( -0.086 4.236 -3.368) 5.413 14.904 ( -0.206 -2.976 -3.101) 4.302 16.273 ( -1.250 1.336 0.499) 1.897 16.333 ( -0.605 -4.582 -0.385) 4.638 17.374 ( -1.040 1.515 1.662) 2.478 17.405 ( -0.793 -1.310 1.577) 2.198 21.355 ( -0.091 4.964 0.073) 4.965 21.450 ( 0.257 -3.726 -0.782) 3.816 21.991 ( -1.196 6.455 -0.801) 6.613 22.085 ( -0.434 -2.556 -0.553) 2.651 22.741 ( -0.252 2.233 1.225) 2.559 22.801 ( -0.733 -2.773 1.190) 3.105 23.058 ( -0.226 3.163 -0.879) 3.291 23.101 ( 0.150 -0.523 -1.619) 1.708 23.431 ( 0.574 5.614 3.729) 6.764 23.564 ( 0.934 -6.619 2.520) 7.144 24.470 ( 0.229 4.191 -1.911) 4.612 24.583 ( -0.337 -6.060 -2.974) 6.759 28.282 ( -0.067 -0.121 0.114) 0.179 28.285 ( -0.322 -0.386 0.031) 0.503 28.341 ( 0.383 0.147 -0.178) 0.447 28.347 ( 0.640 -0.369 -0.132) 0.751 28.513 ( -0.397 1.948 0.378) 2.023 28.563 ( -1.025 -2.481 -0.395) 2.713 28.623 ( 1.526 -0.623 -0.428) 1.703 28.642 ( 1.199 -2.031 0.433) 2.398 29.781 ( 0.438 1.451 0.267) 1.539 29.806 ( -0.883 -0.678 1.111) 1.573 29.843 ( 0.662 0.563 0.795) 1.178 29.862 ( 0.749 -1.204 0.765) 1.611 29.964 ( -1.021 4.607 0.328) 4.730 30.073 ( -0.371 -5.363 1.051) 5.478 31.137 ( 8.142 11.639 -3.647) 14.665 31.295 ( 8.178 -2.896 -0.002) 8.675 32.091 ( 0.446 3.617 1.212) 3.841 32.176 ( -1.400 -4.145 3.301) 5.480 32.583 ( -5.550 4.096 0.249) 6.902 32.674 ( -3.488 -4.310 -0.566) 5.573 48.365 ( -1.045 0.188 0.691) 1.267 48.374 ( -1.251 -0.646 0.521) 1.501 48.557 ( 0.476 1.665 -0.942) 1.971 48.590 ( 0.894 -1.347 -0.984) 1.892 72.866 ( -0.569 0.387 -0.053) 0.690 72.874 ( -0.236 -0.340 -0.030) 0.414 72.888 ( 0.257 -0.059 -0.010) 0.264 72.894 ( 0.466 -0.434 -0.005) 0.637 94.783 ( 0.520 2.412 1.665) 2.977 94.843 ( 0.497 -2.983 1.771) 3.504 95.252 ( -2.194 10.051 -2.167) 10.513 95.495 ( -3.830 -11.983 -5.108) 13.578 96.676 ( 0.470 2.641 -0.496) 2.728 96.738 ( 0.472 -2.999 -1.109) 3.232 97.015 ( -2.836 1.989 2.109) 4.056 97.137 ( -3.098 -10.324 1.205) 10.846 ======================= Grid point 75 (43/100) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -22.608 19.773 -11.068) 32.009 2.231 ( -13.360 23.648 3.877) 27.436 2.509 ( -17.264 -20.170 -5.328) 27.079 2.722 ( -8.097 -16.594 -10.110) 21.051 2.936 ( -8.518 0.429 2.286) 8.830 3.105 ( -7.616 -6.643 -1.461) 10.211 3.551 ( 2.701 8.830 -3.435) 9.852 3.632 ( 1.578 -1.631 -4.801) 5.310 3.687 ( 0.334 8.173 -0.274) 8.184 3.777 ( 3.094 1.722 0.505) 3.576 3.914 ( 3.711 4.650 -3.422) 6.864 4.014 ( 1.406 -3.869 1.091) 4.259 4.100 ( -1.655 6.101 -7.997) 10.194 4.195 ( 0.252 7.116 0.064) 7.121 4.466 ( 3.219 -0.695 -0.797) 3.388 4.532 ( 1.567 -6.701 -2.801) 7.430 4.720 ( -2.292 7.005 4.751) 8.769 4.840 ( -4.287 15.347 -2.836) 16.185 4.920 ( 0.315 -7.265 0.029) 7.272 5.071 ( -3.432 6.333 6.488) 9.694 5.158 ( -3.687 -6.975 3.313) 8.557 5.301 ( 0.299 -15.574 3.387) 15.941 5.760 ( 4.225 4.465 -4.679) 7.725 5.847 ( 6.433 -3.339 -7.066) 10.122 6.099 ( 3.314 2.579 5.670) 7.056 6.116 ( 2.325 1.193 3.170) 4.108 6.340 ( 3.389 4.137 4.588) 7.046 6.420 ( 0.625 -2.468 6.025) 6.541 6.574 ( 0.644 3.217 -2.610) 4.193 6.668 ( -3.846 -6.275 0.569) 7.382 6.888 ( -2.793 5.252 4.033) 7.187 7.014 ( -6.141 -4.709 3.226) 8.384 7.134 ( 4.193 5.749 0.898) 7.172 7.268 ( 3.413 -4.364 0.690) 5.583 7.377 ( -0.607 2.529 -3.288) 4.193 7.397 ( 4.105 2.370 -3.022) 5.622 7.726 ( 6.879 -2.797 1.795) 7.640 7.745 ( 2.960 -3.743 -0.529) 4.801 8.220 ( -3.445 2.524 -5.828) 7.225 8.305 ( -3.544 -5.716 -7.086) 9.769 8.688 ( -4.461 4.252 -3.291) 6.987 8.737 ( -5.858 0.452 -0.804) 5.930 8.909 ( 6.576 0.218 2.930) 7.202 8.987 ( 7.741 -7.164 3.782) 11.205 10.616 ( 2.844 0.347 -1.571) 3.268 10.630 ( 2.403 -0.994 -2.449) 3.572 10.931 ( -2.215 0.506 2.578) 3.436 10.946 ( -2.388 -0.947 2.006) 3.259 12.866 ( 1.721 3.414 -1.000) 3.952 12.927 ( 1.182 -2.217 -2.108) 3.279 13.202 ( 0.028 2.151 0.498) 2.208 13.245 ( -0.376 -1.768 -1.106) 2.119 14.167 ( -1.701 2.942 4.617) 5.733 14.231 ( -1.778 -2.897 5.921) 6.827 14.796 ( -0.242 4.005 -3.384) 5.249 14.871 ( -0.753 -2.840 -3.082) 4.258 16.237 ( -2.477 1.996 0.227) 3.189 16.308 ( -1.878 -4.674 -0.354) 5.050 17.358 ( -1.747 1.511 1.494) 2.751 17.388 ( -2.107 -1.246 1.633) 2.943 21.360 ( 0.758 5.257 -0.305) 5.320 21.454 ( 0.865 -3.336 -1.166) 3.638 21.941 ( -3.271 6.449 -0.400) 7.242 22.046 ( -3.350 -3.460 -0.071) 4.816 22.742 ( -0.578 1.800 1.369) 2.334 22.785 ( -1.672 -1.853 1.129) 2.739 23.042 ( -0.376 2.515 -1.469) 2.936 23.083 ( -0.724 -1.043 -1.721) 2.139 23.486 ( 2.192 5.541 3.648) 6.987 23.616 ( 1.979 -6.318 3.298) 7.397 24.456 ( -0.212 3.401 -1.954) 3.928 24.549 ( -0.755 -5.088 -3.153) 6.034 28.273 ( -0.680 -0.023 -0.121) 0.691 28.276 ( -0.464 -0.274 -0.096) 0.547 28.352 ( 0.632 0.191 0.138) 0.674 28.360 ( 0.612 -0.529 -0.003) 0.809 28.512 ( 0.173 0.976 0.138) 1.001 28.548 ( -0.340 -2.226 -0.150) 2.257 28.654 ( 1.826 0.507 -0.029) 1.896 28.679 ( 2.237 -1.621 -0.093) 2.764 29.783 ( -0.805 0.616 0.702) 1.233 29.787 ( -1.570 0.085 0.901) 1.812 29.865 ( 1.007 0.607 0.687) 1.361 29.883 ( 1.015 -1.095 0.259) 1.516 29.954 ( -0.249 5.041 0.476) 5.070 30.079 ( 0.047 -6.246 1.444) 6.411 31.266 ( 8.364 11.954 -6.754) 16.077 31.457 ( 9.173 -5.471 -5.174) 11.868 32.087 ( -3.095 2.054 5.059) 6.276 32.119 ( -5.247 -0.636 1.055) 5.390 32.563 ( 2.506 5.418 2.864) 6.622 32.690 ( 4.425 -6.061 2.894) 8.043 48.344 ( -1.458 0.265 0.605) 1.601 48.354 ( -1.133 -0.621 0.434) 1.362 48.561 ( 0.513 2.057 -0.827) 2.276 48.603 ( 1.073 -1.861 -0.825) 2.301 72.854 ( -0.563 0.358 -0.024) 0.667 72.864 ( -0.621 -0.571 -0.039) 0.845 72.896 ( 0.417 0.087 -0.037) 0.427 72.901 ( 0.309 -0.339 -0.025) 0.459 94.806 ( 0.514 2.796 1.822) 3.377 94.865 ( 0.566 -2.373 1.331) 2.779 95.184 ( -3.339 6.804 -1.272) 7.685 95.366 ( -5.391 -9.614 -6.121) 12.608 96.672 ( -0.487 2.450 -0.374) 2.525 96.732 ( -0.197 -3.105 -1.000) 3.268 96.952 ( -5.236 1.358 2.229) 5.851 97.044 ( -7.254 -7.824 2.510) 10.961 ======================= Grid point 76 (44/100) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -15.136 25.796 -2.618) 30.023 2.065 ( -8.013 25.599 9.606) 28.492 2.171 ( -12.589 -24.485 -1.095) 27.553 2.593 ( -1.278 -15.998 -1.985) 16.171 2.854 ( -4.028 -2.371 9.528) 10.613 2.989 ( -5.533 -6.983 4.467) 9.966 3.572 ( 0.398 10.321 -0.582) 10.345 3.604 ( -0.302 -0.810 1.799) 1.996 3.708 ( 1.045 9.416 3.648) 10.151 3.861 ( 3.602 -1.403 -0.771) 3.942 4.000 ( 4.933 5.099 0.201) 7.098 4.041 ( 3.552 8.960 -12.327) 15.647 4.123 ( 5.640 -3.035 2.875) 7.020 4.221 ( 4.992 0.179 -4.778) 6.912 4.487 ( 0.804 4.598 -3.216) 5.668 4.522 ( 1.324 4.311 -6.741) 8.111 4.717 ( -1.383 4.791 5.679) 7.558 4.731 ( -3.575 3.200 -3.205) 5.770 4.945 ( 0.863 -5.796 1.909) 6.163 5.045 ( -4.930 9.690 7.838) 13.403 5.076 ( -7.769 -9.943 6.454) 14.173 5.331 ( -0.163 -15.044 4.705) 15.763 5.766 ( 1.406 5.094 -10.425) 11.688 5.885 ( 3.591 -5.823 -10.828) 12.809 6.146 ( 0.415 3.952 -1.764) 4.348 6.194 ( 3.644 0.255 2.646) 4.511 6.391 ( 0.598 1.219 0.748) 1.550 6.439 ( -1.580 -3.320 2.479) 4.435 6.522 ( -4.661 3.717 0.653) 5.997 6.610 ( -4.417 -4.910 4.674) 8.091 6.887 ( -1.297 6.827 4.176) 8.107 6.986 ( 0.208 -3.060 4.558) 5.494 7.213 ( 1.976 6.067 1.232) 6.498 7.322 ( 1.535 2.971 -3.197) 4.626 7.361 ( 2.580 -3.765 0.351) 4.578 7.418 ( 0.581 -2.612 -4.438) 5.183 7.850 ( 8.960 0.138 -0.644) 8.984 7.901 ( 10.475 -4.050 1.060) 11.281 8.085 ( -4.793 0.813 -9.118) 10.333 8.143 ( -6.001 -5.137 -11.073) 13.602 8.578 ( -5.877 2.300 3.887) 7.412 8.630 ( -5.799 -2.020 3.081) 6.870 9.030 ( 3.876 4.370 -0.102) 5.842 9.156 ( 6.384 -7.282 -0.202) 9.686 10.662 ( 2.949 0.286 -1.939) 3.541 10.669 ( 2.948 -0.431 -2.222) 3.717 10.884 ( -3.373 0.320 0.616) 3.444 10.899 ( -3.317 -1.134 1.098) 3.673 12.896 ( 1.867 2.771 -0.324) 3.357 12.941 ( 1.654 -1.469 -1.321) 2.576 13.205 ( -0.098 1.038 0.255) 1.073 13.228 ( -0.474 -1.048 -1.315) 1.747 14.172 ( -1.537 3.119 5.500) 6.507 14.241 ( -2.092 -3.327 7.462) 8.433 14.776 ( 0.529 3.490 -2.749) 4.474 14.842 ( -0.127 -2.479 -2.490) 3.516 16.196 ( -1.621 2.563 0.004) 3.033 16.262 ( -2.384 -3.605 -0.209) 4.327 17.335 ( -1.452 1.058 1.181) 2.150 17.355 ( -2.189 -0.755 1.291) 2.651 21.379 ( 1.481 5.270 -0.722) 5.521 21.466 ( 1.336 -2.757 -1.534) 3.427 21.878 ( -2.812 5.724 -0.056) 6.378 21.970 ( -4.342 -2.891 0.333) 5.226 22.738 ( -0.812 1.306 1.211) 1.957 22.760 ( -1.553 -0.735 0.970) 1.973 23.029 ( 0.412 1.506 -2.028) 2.559 23.057 ( -0.507 -0.997 -1.945) 2.244 23.545 ( 1.138 5.144 2.857) 5.994 23.669 ( 0.662 -6.364 3.808) 7.445 24.439 ( 0.049 2.882 -2.046) 3.535 24.519 ( 0.044 -4.480 -2.817) 5.292 28.261 ( -0.381 0.056 -0.512) 0.641 28.266 ( -0.311 -0.403 -0.406) 0.652 28.365 ( 0.474 0.039 0.376) 0.606 28.368 ( 0.181 -0.276 0.115) 0.350 28.521 ( 0.598 0.612 0.129) 0.865 28.546 ( -0.031 -1.493 0.303) 1.524 28.683 ( 1.100 1.258 0.023) 1.672 28.715 ( 1.586 -1.633 -0.329) 2.300 29.758 ( -1.606 0.964 0.651) 1.983 29.772 ( -0.959 -0.662 0.470) 1.256 29.885 ( 0.643 0.626 0.109) 0.904 29.901 ( 0.824 -0.740 -0.484) 1.209 29.961 ( 0.100 4.987 1.681) 5.264 30.091 ( -0.213 -6.733 2.072) 7.048 31.333 ( 5.299 10.923 -12.143) 17.171 31.505 ( 3.399 -4.370 -17.150) 18.021 32.000 ( -4.721 3.431 -1.810) 6.111 32.084 ( -1.224 -4.687 1.385) 5.039 32.717 ( 5.914 5.400 15.682) 17.609 32.848 ( 5.785 -6.518 11.237) 14.220 48.327 ( -0.856 0.518 1.128) 1.508 48.341 ( -0.643 -0.820 0.895) 1.374 48.564 ( 0.412 2.394 -0.801) 2.558 48.615 ( 0.744 -2.326 -0.879) 2.595 72.846 ( -0.291 0.256 -0.014) 0.388 72.853 ( -0.491 -0.416 -0.054) 0.646 72.902 ( 0.223 -0.004 -0.061) 0.231 72.905 ( 0.088 -0.233 -0.042) 0.253 94.823 ( 0.033 3.240 1.456) 3.553 94.882 ( 0.593 -1.788 0.466) 1.940 95.122 ( -2.843 3.947 1.046) 4.975 95.240 ( -3.246 -6.592 -2.849) 7.881 96.657 ( -0.685 2.521 -0.478) 2.656 96.721 ( -0.399 -3.525 -0.234) 3.555 96.861 ( -5.466 1.932 2.568) 6.340 96.936 ( -5.389 -4.945 2.743) 7.811 ======================= Grid point 98 (45/100) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -4.289 0.000 20.241) 20.690 1.097 ( 6.137 0.000 28.400) 29.055 1.949 ( -5.409 0.000 24.361) 24.954 2.792 ( 4.348 0.000 9.419) 10.375 2.988 ( 8.014 0.000 -0.259) 8.018 3.194 ( -4.078 0.000 3.504) 5.376 3.199 ( 3.476 0.000 -8.388) 9.080 3.307 ( 4.485 0.000 6.132) 7.597 3.859 ( -2.527 0.000 9.241) 9.580 3.883 ( -2.102 0.000 -0.502) 2.161 3.970 ( 8.453 0.000 -2.646) 8.858 4.285 ( 4.527 0.000 9.734) 10.735 4.393 ( -1.043 0.000 -1.185) 1.579 4.406 ( -0.967 0.000 -3.542) 3.672 4.507 ( 8.473 0.000 -0.121) 8.474 4.543 ( 9.541 0.000 12.757) 15.930 4.720 ( 1.800 0.000 -1.887) 2.608 4.756 ( 5.304 0.000 7.504) 9.189 4.782 ( -0.809 0.000 11.366) 11.395 4.901 ( -1.673 0.000 -4.035) 4.368 5.088 ( -0.038 0.000 13.469) 13.469 5.395 ( -3.609 0.000 -0.926) 3.726 5.431 ( -11.554 0.000 15.800) 19.574 5.799 ( -4.741 0.000 -14.493) 15.249 5.903 ( 3.790 0.000 -12.375) 12.942 6.122 ( -10.675 0.000 -9.476) 14.274 6.172 ( 4.668 0.000 -6.678) 8.148 6.312 ( 1.814 0.000 -3.099) 3.591 6.482 ( -0.452 0.000 -11.894) 11.903 6.891 ( -9.275 0.000 1.389) 9.378 7.022 ( 11.557 0.000 -20.412) 23.456 7.057 ( 2.750 0.000 12.644) 12.940 7.212 ( 0.167 0.000 7.398) 7.400 7.254 ( 5.853 0.000 -6.328) 8.620 7.402 ( -7.541 0.000 3.262) 8.216 7.558 ( 7.046 0.000 2.375) 7.436 7.617 ( 0.433 0.000 -4.044) 4.067 7.865 ( -1.370 0.000 -6.097) 6.249 8.092 ( -0.038 0.000 -6.023) 6.023 8.534 ( 5.255 0.000 -10.203) 11.477 8.580 ( -0.529 0.000 6.773) 6.793 8.798 ( 5.174 0.000 2.482) 5.739 8.814 ( -5.501 0.000 0.526) 5.526 9.045 ( -21.566 0.000 -14.042) 25.735 10.652 ( 1.159 0.000 -1.465) 1.868 10.758 ( -2.756 0.000 -3.945) 4.812 10.948 ( 11.508 0.000 5.913) 12.938 11.033 ( -2.459 0.000 2.167) 3.277 12.793 ( -2.078 0.000 2.861) 3.536 12.928 ( 2.299 0.000 -2.431) 3.346 13.135 ( -0.771 0.000 -0.149) 0.785 13.170 ( 1.296 0.000 -3.240) 3.489 14.278 ( -2.199 0.000 8.886) 9.154 14.610 ( 3.807 0.000 -2.140) 4.368 14.738 ( -6.809 0.000 1.327) 6.937 14.855 ( 0.922 0.000 -1.568) 1.819 16.111 ( 4.796 0.000 0.278) 4.804 16.124 ( -2.635 0.000 -0.381) 2.663 17.334 ( 0.457 0.000 1.473) 1.542 17.337 ( -1.697 0.000 1.008) 1.974 21.085 ( 0.948 0.000 -0.176) 0.964 21.124 ( 0.251 0.000 -1.714) 1.732 21.671 ( -1.339 0.000 4.360) 4.561 21.845 ( -4.024 0.000 -0.998) 4.146 22.671 ( -1.140 0.000 0.409) 1.211 22.797 ( 0.909 0.000 -3.658) 3.770 22.891 ( -1.199 0.000 2.899) 3.137 23.039 ( 1.768 0.000 -1.398) 2.254 23.333 ( -2.847 0.000 9.536) 9.952 23.971 ( 0.695 0.000 -9.092) 9.119 24.452 ( -4.452 0.000 3.963) 5.960 24.699 ( 4.127 0.000 -2.937) 5.065 28.265 ( 0.673 0.000 -0.395) 0.780 28.288 ( -1.100 0.000 -0.664) 1.285 28.325 ( 0.183 0.000 0.672) 0.697 28.379 ( -0.012 0.000 -1.001) 1.001 28.489 ( -0.151 0.000 -1.852) 1.858 28.507 ( -2.307 0.000 -1.892) 2.984 28.789 ( -0.642 0.000 4.772) 4.815 28.883 ( 2.978 0.000 2.864) 4.132 29.656 ( 0.252 0.000 2.537) 2.549 29.782 ( -0.175 0.000 -1.121) 1.135 29.843 ( 1.252 0.000 1.210) 1.742 29.912 ( 0.584 0.000 0.402) 0.709 29.931 ( -0.487 0.000 -1.961) 2.021 29.950 ( 0.658 0.000 -0.631) 0.912 30.631 ( -0.250 0.000 0.423) 0.491 30.723 ( -2.054 0.000 -2.532) 3.260 31.881 ( -4.245 0.000 3.368) 5.419 32.253 ( 1.243 0.000 -8.111) 8.206 33.357 ( 1.221 0.000 12.537) 12.596 34.075 ( -2.406 0.000 -9.504) 9.804 48.413 ( 1.305 0.000 -0.095) 1.308 48.417 ( -0.511 0.000 -0.067) 0.516 48.509 ( 3.480 0.000 2.529) 4.302 48.674 ( -0.325 0.000 -2.397) 2.419 72.844 ( 0.331 0.000 0.065) 0.337 72.847 ( -0.068 0.000 -0.033) 0.076 72.916 ( -0.108 0.000 0.014) 0.109 72.918 ( 0.139 0.000 -0.028) 0.142 94.695 ( -0.150 0.000 0.925) 0.937 94.783 ( 0.886 0.000 -2.363) 2.524 95.258 ( -9.073 0.000 9.716) 13.294 95.860 ( 33.112 0.000 -8.931) 34.295 96.668 ( 7.261 0.000 3.274) 7.966 96.803 ( 0.519 0.000 -2.564) 2.616 97.073 ( 1.494 0.000 2.758) 3.136 97.164 ( -26.523 0.000 -1.299) 26.554 ======================= Grid point 99 (46/100) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.584 0.000 18.970) 18.979 1.430 ( 8.339 0.000 29.476) 30.633 2.052 ( 7.362 0.000 -3.063) 7.974 2.924 ( -0.968 0.000 12.550) 12.587 2.990 ( -0.610 0.000 -9.309) 9.329 3.216 ( 6.182 0.000 -15.308) 16.509 3.260 ( 4.866 0.000 12.700) 13.600 3.520 ( 7.060 0.000 9.007) 11.444 3.852 ( 0.614 0.000 -6.679) 6.708 3.893 ( 0.565 0.000 9.133) 9.151 4.131 ( 8.460 0.000 0.412) 8.470 4.324 ( -2.358 0.000 -2.121) 3.171 4.350 ( -2.055 0.000 -1.091) 2.326 4.389 ( -1.489 0.000 6.997) 7.153 4.599 ( 3.155 0.000 -4.812) 5.754 4.701 ( -5.058 0.000 0.112) 5.059 4.757 ( 2.840 0.000 0.569) 2.897 4.831 ( 1.814 0.000 6.640) 6.883 4.911 ( 4.569 0.000 6.320) 7.798 4.980 ( 7.602 0.000 9.784) 12.390 5.144 ( -1.875 0.000 3.564) 4.027 5.367 ( 2.698 0.000 1.657) 3.166 5.388 ( -6.564 0.000 23.312) 24.218 5.607 ( -5.104 0.000 -7.600) 9.155 5.880 ( -6.401 0.000 -10.722) 12.487 5.919 ( 5.083 0.000 -7.329) 8.920 6.189 ( 0.530 0.000 -10.361) 10.375 6.262 ( -3.715 0.000 -2.219) 4.328 6.422 ( 2.356 0.000 -9.915) 10.191 6.651 ( -15.494 0.000 -1.458) 15.562 6.958 ( 1.945 0.000 -25.378) 25.453 7.149 ( -0.604 0.000 8.527) 8.548 7.157 ( -16.449 0.000 7.883) 18.241 7.282 ( 0.915 0.000 -5.274) 5.352 7.355 ( 4.388 0.000 2.719) 5.162 7.590 ( -0.200 0.000 0.233) 0.307 7.666 ( -1.923 0.000 0.916) 2.130 7.848 ( 5.346 0.000 1.037) 5.445 8.062 ( 2.179 0.000 -6.642) 6.991 8.502 ( 3.770 0.000 -17.088) 17.499 8.634 ( 1.407 0.000 6.838) 6.982 8.742 ( -3.100 0.000 2.564) 4.023 8.748 ( -5.752 0.000 4.894) 7.552 8.934 ( 7.055 0.000 -2.158) 7.378 10.666 ( 1.143 0.000 -0.334) 1.191 10.684 ( -2.509 0.000 -3.032) 3.935 10.983 ( -3.536 0.000 -0.293) 3.548 11.123 ( 4.340 0.000 1.466) 4.581 12.756 ( -3.121 0.000 1.945) 3.678 12.951 ( 1.462 0.000 -1.708) 2.248 13.116 ( -1.024 0.000 -0.292) 1.064 13.186 ( 2.359 0.000 -2.798) 3.659 14.286 ( -3.079 0.000 7.592) 8.192 14.574 ( -9.923 0.000 6.599) 11.917 14.648 ( 1.661 0.000 -2.826) 3.278 14.870 ( 1.827 0.000 -1.555) 2.400 16.117 ( 2.146 0.000 -0.167) 2.152 16.344 ( 16.478 0.000 -5.973) 17.527 17.327 ( 0.190 0.000 0.577) 0.608 17.345 ( -0.564 0.000 1.901) 1.983 21.119 ( 2.523 0.000 -0.132) 2.526 21.134 ( 2.040 0.000 -2.041) 2.886 21.695 ( 0.294 0.000 5.026) 5.034 21.842 ( 3.280 0.000 -0.455) 3.312 22.670 ( 0.635 0.000 0.590) 0.867 22.802 ( 2.027 0.000 -3.269) 3.846 22.881 ( -1.949 0.000 2.682) 3.315 23.064 ( 1.860 0.000 -1.782) 2.576 23.345 ( -3.074 0.000 9.807) 10.277 23.895 ( -2.069 0.000 -7.248) 7.537 24.407 ( -2.624 0.000 3.151) 4.101 24.764 ( 4.415 0.000 -2.781) 5.218 28.270 ( 0.172 0.000 -1.140) 1.153 28.284 ( 1.277 0.000 0.270) 1.305 28.334 ( 0.241 0.000 0.672) 0.714 28.372 ( -0.021 0.000 -1.073) 1.074 28.457 ( -1.639 0.000 -0.989) 1.914 28.516 ( 2.879 0.000 -1.204) 3.121 28.797 ( -1.396 0.000 3.134) 3.431 28.955 ( 2.834 0.000 1.695) 3.303 29.676 ( -0.185 0.000 2.513) 2.520 29.767 ( -0.398 0.000 -1.379) 1.435 29.869 ( 0.054 0.000 1.578) 1.578 29.892 ( -1.682 0.000 -1.989) 2.605 29.924 ( 0.567 0.000 -0.036) 0.568 29.950 ( 0.193 0.000 -1.628) 1.640 30.671 ( 2.849 0.000 2.235) 3.621 30.682 ( -0.099 0.000 -2.619) 2.621 31.853 ( -1.408 0.000 3.310) 3.597 32.245 ( 3.240 0.000 -6.029) 6.845 33.382 ( -7.617 0.000 11.343) 13.663 33.683 ( -27.834 0.000 -0.469) 27.838 48.406 ( -0.482 0.000 -0.192) 0.519 48.435 ( 1.123 0.000 -0.204) 1.141 48.552 ( -0.420 0.000 1.725) 1.776 48.638 ( -1.286 0.000 -2.945) 3.213 72.847 ( 0.078 0.000 -0.033) 0.084 72.858 ( 0.959 0.000 -0.414) 1.044 72.913 ( -0.212 0.000 -0.006) 0.212 72.920 ( 0.127 0.000 -0.023) 0.129 94.707 ( 0.694 0.000 0.878) 1.119 94.788 ( 1.426 0.000 -2.400) 2.791 95.161 ( -6.589 0.000 6.683) 9.385 96.284 ( 17.691 0.000 -15.094) 23.255 96.676 ( -18.902 0.000 1.881) 18.995 96.781 ( -0.124 0.000 -3.235) 3.238 97.052 ( 24.385 0.000 -1.879) 24.458 97.147 ( 2.397 0.000 5.515) 6.013 ======================= Grid point 100 (47/100) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -2.223 0.000 17.941) 18.078 1.793 ( 6.982 0.000 28.836) 29.670 2.193 ( 15.595 0.000 -16.372) 22.611 2.867 ( -3.091 0.000 -18.170) 18.431 2.924 ( -7.476 0.000 8.055) 10.990 3.199 ( 3.376 0.000 -13.527) 13.942 3.316 ( -6.176 0.000 -6.352) 8.859 3.640 ( 1.366 0.000 2.861) 3.170 3.899 ( 10.152 0.000 -1.729) 10.298 3.983 ( 2.437 0.000 3.858) 4.563 4.265 ( 6.205 0.000 -1.059) 6.295 4.279 ( -0.759 0.000 1.081) 1.321 4.351 ( 2.036 0.000 3.385) 3.950 4.389 ( -3.062 0.000 6.720) 7.385 4.542 ( -9.114 0.000 -3.694) 9.834 4.553 ( -4.279 0.000 -5.004) 6.584 4.727 ( -7.590 0.000 -6.583) 10.047 4.815 ( 1.980 0.000 0.592) 2.067 5.040 ( -3.058 0.000 -3.841) 4.909 5.156 ( 0.211 0.000 7.314) 7.317 5.196 ( 8.866 0.000 12.601) 15.407 5.382 ( -2.135 0.000 15.009) 15.160 5.391 ( -2.445 0.000 -14.551) 14.755 5.626 ( 0.822 0.000 12.989) 13.015 5.805 ( 3.991 0.000 1.876) 4.410 5.879 ( -9.159 0.000 -5.978) 10.938 6.037 ( -6.469 0.000 6.939) 9.487 6.257 ( 1.807 0.000 -3.391) 3.842 6.376 ( -3.729 0.000 -6.867) 7.814 6.438 ( 6.507 0.000 -9.808) 11.771 6.859 ( 3.135 0.000 -13.832) 14.183 6.969 ( -8.103 0.000 7.600) 11.109 7.151 ( -3.736 0.000 2.313) 4.394 7.230 ( -1.460 0.000 -4.656) 4.880 7.440 ( 4.533 0.000 -3.251) 5.579 7.566 ( -4.689 0.000 -3.707) 5.978 7.616 ( -0.782 0.000 7.874) 7.912 7.962 ( 0.537 0.000 6.602) 6.623 8.084 ( 4.168 0.000 -5.309) 6.750 8.491 ( 4.888 0.000 -13.377) 14.242 8.647 ( -2.982 0.000 1.201) 3.214 8.748 ( 0.239 0.000 5.159) 5.164 8.827 ( 5.923 0.000 13.273) 14.535 9.041 ( 6.995 0.000 -3.450) 7.800 10.620 ( -2.135 0.000 -2.429) 3.234 10.694 ( 1.462 0.000 0.824) 1.678 10.901 ( -3.478 0.000 -2.940) 4.554 11.159 ( -0.320 0.000 -0.104) 0.337 12.714 ( -2.478 0.000 1.697) 3.003 12.953 ( 0.068 0.000 -2.169) 2.170 13.100 ( -0.413 0.000 0.419) 0.588 13.212 ( 2.281 0.000 -2.984) 3.756 14.262 ( -4.258 0.000 5.591) 7.028 14.490 ( -5.048 0.000 8.751) 10.103 14.631 ( -0.584 0.000 -4.324) 4.364 14.895 ( 2.130 0.000 -2.641) 3.393 16.192 ( 4.641 0.000 1.794) 4.976 16.562 ( 11.325 0.000 -7.894) 13.805 17.338 ( -1.742 0.000 2.436) 2.995 17.354 ( 2.302 0.000 -0.077) 2.303 21.167 ( 2.840 0.000 -2.147) 3.560 21.169 ( 2.646 0.000 -0.519) 2.696 21.740 ( 0.173 0.000 5.873) 5.875 21.929 ( 5.904 0.000 -1.053) 5.997 22.701 ( 1.968 0.000 0.918) 2.171 22.824 ( 2.445 0.000 -2.961) 3.839 22.857 ( -2.436 0.000 2.868) 3.762 23.080 ( 1.197 0.000 -2.095) 2.413 23.349 ( -3.378 0.000 8.995) 9.608 23.810 ( -1.705 0.000 -6.228) 6.457 24.396 ( -0.727 0.000 2.549) 2.651 24.810 ( 2.545 0.000 -3.933) 4.685 28.280 ( 1.611 0.000 -1.176) 1.995 28.308 ( 0.764 0.000 0.306) 0.823 28.341 ( -0.040 0.000 0.455) 0.457 28.362 ( -0.246 0.000 -1.087) 1.114 28.445 ( 0.454 0.000 1.546) 1.611 28.563 ( 2.824 0.000 -0.851) 2.950 28.780 ( -2.019 0.000 1.511) 2.521 29.008 ( 2.097 0.000 -0.192) 2.106 29.677 ( -1.424 0.000 1.995) 2.451 29.752 ( -0.078 0.000 -1.568) 1.570 29.854 ( -0.780 0.000 -1.413) 1.614 29.860 ( -1.761 0.000 1.081) 2.066 29.933 ( 0.450 0.000 -0.496) 0.669 29.938 ( 0.023 0.000 -2.206) 2.207 30.691 ( 2.594 0.000 -1.331) 2.916 30.757 ( 4.070 0.000 3.359) 5.277 31.865 ( -0.138 0.000 3.818) 3.821 32.298 ( 5.725 0.000 -2.972) 6.451 33.167 ( -27.124 0.000 5.020) 27.585 33.229 ( -14.242 0.000 5.693) 15.338 48.399 ( -0.101 0.000 -0.037) 0.108 48.450 ( 0.649 0.000 -0.440) 0.784 48.531 ( -2.781 0.000 1.875) 3.354 48.597 ( -0.622 0.000 -3.046) 3.109 72.849 ( 0.154 0.000 0.075) 0.171 72.870 ( 0.650 0.000 -0.563) 0.860 72.909 ( -0.179 0.000 0.024) 0.181 72.922 ( 0.100 0.000 -0.087) 0.133 94.728 ( 0.797 0.000 0.730) 1.081 94.801 ( 1.490 0.000 -2.217) 2.671 95.120 ( -2.164 0.000 6.197) 6.564 96.295 ( -11.297 0.000 -6.758) 13.164 96.475 ( 2.326 0.000 0.451) 2.369 96.764 ( 0.863 0.000 -3.768) 3.865 97.218 ( -0.189 0.000 7.950) 7.953 97.511 ( 26.495 0.000 -12.708) 29.385 ======================= Grid point 101 (48/100) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -6.510 0.000 17.659) 18.821 2.033 ( 2.462 0.000 14.508) 14.716 2.390 ( 7.496 0.000 -16.553) 18.171 2.617 ( -5.228 0.000 -27.344) 27.839 2.652 ( -16.319 0.000 -0.889) 16.343 3.164 ( -1.554 0.000 -3.264) 3.615 3.199 ( 4.578 0.000 -7.489) 8.778 3.622 ( -2.422 0.000 -2.648) 3.589 4.008 ( -1.854 0.000 0.958) 2.086 4.033 ( 2.106 0.000 -4.187) 4.687 4.287 ( -6.003 0.000 -8.523) 10.425 4.289 ( -6.272 0.000 8.406) 10.487 4.374 ( -4.761 0.000 -3.712) 6.037 4.406 ( -4.963 0.000 -5.619) 7.497 4.413 ( 1.402 0.000 -1.203) 1.847 4.435 ( 5.709 0.000 4.357) 7.181 4.574 ( -2.677 0.000 8.383) 8.801 4.831 ( 0.029 0.000 -2.817) 2.817 4.927 ( -4.408 0.000 -2.927) 5.292 5.062 ( -7.954 0.000 -22.031) 23.423 5.073 ( -6.644 0.000 2.415) 7.069 5.440 ( -1.796 0.000 15.642) 15.744 5.607 ( 8.219 0.000 15.507) 17.550 5.685 ( 0.291 0.000 3.876) 3.887 5.725 ( -2.586 0.000 -3.892) 4.673 5.912 ( -3.616 0.000 2.274) 4.271 6.025 ( 8.723 0.000 17.988) 19.991 6.262 ( 0.686 0.000 -1.461) 1.614 6.474 ( 7.430 0.000 5.997) 9.548 6.528 ( 10.428 0.000 -11.107) 15.235 6.860 ( 4.183 0.000 -7.880) 8.921 6.963 ( 3.843 0.000 2.048) 4.354 7.049 ( -4.910 0.000 -5.042) 7.038 7.178 ( -2.495 0.000 -1.689) 3.013 7.467 ( -3.298 0.000 -2.847) 4.357 7.489 ( 3.723 0.000 -4.743) 6.029 7.641 ( -3.894 0.000 10.894) 11.569 7.961 ( -3.195 0.000 3.646) 4.848 8.122 ( 3.030 0.000 -4.536) 5.455 8.464 ( 1.335 0.000 -11.488) 11.566 8.596 ( -3.191 0.000 1.880) 3.703 8.792 ( 2.524 0.000 -1.527) 2.950 9.037 ( 4.089 0.000 14.818) 15.371 9.173 ( 7.667 0.000 1.931) 7.907 10.576 ( -0.908 0.000 -1.538) 1.786 10.701 ( -1.186 0.000 -2.360) 2.641 10.857 ( 1.299 0.000 0.213) 1.316 11.127 ( -2.419 0.000 -1.230) 2.714 12.690 ( -1.246 0.000 1.962) 2.324 12.927 ( -0.440 0.000 -3.382) 3.410 13.107 ( 0.320 0.000 1.455) 1.490 13.227 ( 1.610 0.000 -3.284) 3.658 14.215 ( -4.155 0.000 4.971) 6.479 14.481 ( -2.816 0.000 8.987) 9.418 14.579 ( -0.983 0.000 -5.592) 5.678 14.907 ( 1.387 0.000 -3.800) 4.045 16.290 ( 3.014 0.000 3.561) 4.666 16.671 ( 6.305 0.000 -7.833) 10.055 17.316 ( -2.274 0.000 2.687) 3.520 17.403 ( 2.821 0.000 -0.533) 2.871 21.200 ( 0.974 0.000 -1.024) 1.413 21.201 ( 1.972 0.000 -1.987) 2.800 21.772 ( -1.463 0.000 6.303) 6.471 22.035 ( 5.798 0.000 -1.104) 5.902 22.745 ( 1.542 0.000 0.607) 1.657 22.840 ( -1.224 0.000 3.742) 3.937 22.848 ( 2.149 0.000 -2.884) 3.597 23.075 ( -0.234 0.000 -2.119) 2.132 23.342 ( -3.362 0.000 7.565) 8.278 23.754 ( 0.403 0.000 -5.452) 5.467 24.411 ( 0.253 0.000 2.841) 2.852 24.799 ( -0.132 0.000 -5.598) 5.600 28.310 ( 2.208 0.000 -0.891) 2.381 28.314 ( -0.056 0.000 -0.057) 0.080 28.336 ( -0.588 0.000 -0.007) 0.588 28.348 ( -0.531 0.000 -0.987) 1.120 28.496 ( 2.285 0.000 4.547) 5.089 28.611 ( 2.668 0.000 -0.308) 2.686 28.745 ( -2.285 0.000 0.349) 2.312 29.028 ( 0.922 0.000 -2.875) 3.019 29.653 ( -2.139 0.000 1.360) 2.534 29.744 ( 0.523 0.000 -1.748) 1.825 29.830 ( -1.782 0.000 0.727) 1.924 29.844 ( 0.269 0.000 -0.806) 0.850 29.925 ( 0.288 0.000 -1.895) 1.917 29.930 ( -0.302 0.000 -0.873) 0.924 30.752 ( 3.696 0.000 0.316) 3.710 30.864 ( 4.619 0.000 2.551) 5.276 31.909 ( 1.174 0.000 8.152) 8.236 32.415 ( 7.029 0.000 0.496) 7.047 32.739 ( -22.072 0.000 5.277) 22.694 32.965 ( -13.491 0.000 -1.797) 13.610 48.402 ( 0.257 0.000 0.270) 0.372 48.451 ( -0.209 0.000 -0.724) 0.753 48.482 ( -3.406 0.000 1.492) 3.719 48.582 ( 1.205 0.000 -2.564) 2.833 72.852 ( 0.049 0.000 0.175) 0.182 72.876 ( 0.501 0.000 -0.541) 0.737 72.908 ( -0.007 0.000 0.097) 0.097 72.923 ( 0.048 0.000 -0.189) 0.195 94.742 ( 0.109 0.000 0.599) 0.609 94.810 ( 0.980 0.000 -1.989) 2.218 95.163 ( 1.059 0.000 8.385) 8.451 96.020 ( -12.067 0.000 -5.278) 13.171 96.542 ( 3.635 0.000 -1.064) 3.788 96.756 ( 1.164 0.000 -4.375) 4.527 97.245 ( -3.209 0.000 8.991) 9.546 97.854 ( 19.941 0.000 -14.930) 24.911 ======================= Grid point 102 (49/100) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -11.037 0.000 18.255) 21.332 1.832 ( -32.029 0.000 -20.209) 37.871 2.132 ( -1.774 0.000 7.775) 7.975 2.380 ( 0.369 0.000 -21.387) 21.391 2.720 ( 3.763 0.000 4.417) 5.803 3.190 ( 3.436 0.000 3.790) 5.115 3.248 ( 3.707 0.000 -3.848) 5.343 3.564 ( 1.447 0.000 -7.652) 7.788 3.909 ( -6.986 0.000 -4.118) 8.110 3.956 ( -2.701 0.000 -7.470) 7.944 4.039 ( -16.141 0.000 -1.098) 16.178 4.156 ( -10.376 0.000 7.288) 12.680 4.221 ( -0.499 0.000 -5.088) 5.113 4.328 ( -3.450 0.000 0.810) 3.544 4.471 ( 1.450 0.000 0.822) 1.667 4.506 ( -0.313 0.000 -2.131) 2.154 4.644 ( -1.662 0.000 11.592) 11.711 4.758 ( -0.239 0.000 -9.431) 9.434 4.871 ( -1.559 0.000 4.197) 4.477 4.957 ( -1.319 0.000 -2.911) 3.196 5.007 ( -1.276 0.000 0.142) 1.284 5.338 ( -4.125 0.000 -0.725) 4.189 5.687 ( -4.295 0.000 8.502) 9.526 5.732 ( 3.385 0.000 -2.074) 3.969 5.833 ( 6.092 0.000 8.508) 10.464 6.014 ( 7.822 0.000 2.572) 8.234 6.259 ( -0.430 0.000 0.164) 0.460 6.313 ( 8.619 0.000 14.554) 16.915 6.623 ( 2.555 0.000 9.309) 9.654 6.663 ( 11.461 0.000 -11.461) 16.208 6.899 ( 4.557 0.000 -5.894) 7.450 6.907 ( -5.518 0.000 -8.672) 10.279 7.097 ( 9.019 0.000 -2.471) 9.352 7.108 ( -2.522 0.000 -2.774) 3.749 7.406 ( -1.215 0.000 -1.991) 2.332 7.514 ( 2.392 0.000 -4.844) 5.402 7.614 ( -7.091 0.000 11.987) 13.928 7.929 ( -2.010 0.000 2.809) 3.454 8.133 ( 1.701 0.000 -4.910) 5.196 8.403 ( 0.919 0.000 -10.178) 10.220 8.557 ( -2.642 0.000 3.001) 3.998 8.810 ( 1.533 0.000 -4.806) 5.045 9.140 ( -2.650 0.000 9.826) 10.177 9.347 ( 7.634 0.000 5.444) 9.376 10.568 ( 0.908 0.000 -1.044) 1.384 10.649 ( -0.821 0.000 -4.031) 4.114 10.928 ( 3.382 0.000 3.905) 5.166 11.055 ( -3.663 0.000 -2.653) 4.523 12.696 ( 0.157 0.000 2.631) 2.636 12.900 ( 0.409 0.000 -4.040) 4.060 13.126 ( 0.417 0.000 1.627) 1.680 13.227 ( 0.793 0.000 -3.411) 3.502 14.184 ( -2.881 0.000 5.854) 6.525 14.501 ( -1.770 0.000 9.317) 9.484 14.530 ( 0.233 0.000 -5.610) 5.615 14.896 ( 0.488 0.000 -4.166) 4.195 16.336 ( -1.180 0.000 3.958) 4.130 16.697 ( 2.766 0.000 -9.920) 10.299 17.296 ( -1.576 0.000 2.401) 2.872 17.439 ( 1.053 0.000 -0.688) 1.258 21.187 ( -1.393 0.000 -1.265) 1.882 21.208 ( 0.082 0.000 -1.736) 1.738 21.768 ( -3.412 0.000 5.953) 6.861 22.119 ( 3.777 0.000 -2.312) 4.428 22.759 ( 0.098 0.000 0.036) 0.105 22.861 ( 1.278 0.000 -3.062) 3.318 22.864 ( 0.303 0.000 3.546) 3.559 23.046 ( -1.186 0.000 -1.885) 2.228 23.330 ( -3.009 0.000 6.669) 7.316 23.761 ( 4.056 0.000 -3.970) 5.676 24.441 ( 0.354 0.000 3.927) 3.943 24.739 ( -1.351 0.000 -6.312) 6.455 28.307 ( -0.799 0.000 -0.175) 0.818 28.323 ( -0.481 0.000 -0.273) 0.553 28.326 ( -0.646 0.000 -0.662) 0.925 28.348 ( 1.836 0.000 -0.685) 1.959 28.575 ( 2.052 0.000 4.920) 5.330 28.661 ( 2.751 0.000 0.212) 2.760 28.706 ( -1.964 0.000 0.736) 2.097 28.992 ( -1.460 0.000 -7.115) 7.263 29.626 ( -1.418 0.000 1.401) 1.993 29.747 ( 1.071 0.000 -1.655) 1.972 29.811 ( -0.731 0.000 0.731) 1.034 29.848 ( 0.502 0.000 -0.075) 0.507 29.914 ( -0.600 0.000 -0.924) 1.102 29.926 ( 0.876 0.000 -1.047) 1.365 30.813 ( 1.875 0.000 0.865) 2.065 30.931 ( 1.689 0.000 -3.928) 4.276 32.086 ( 9.090 0.000 22.211) 23.999 32.403 ( -17.136 0.000 4.716) 17.773 32.502 ( -1.308 0.000 -0.469) 1.389 32.799 ( 1.750 0.000 -2.801) 3.303 48.411 ( 0.371 0.000 0.486) 0.612 48.418 ( -3.177 0.000 0.807) 3.277 48.445 ( -0.846 0.000 -0.402) 0.937 48.605 ( 2.724 0.000 -1.911) 3.328 72.853 ( -0.101 0.000 0.184) 0.210 72.881 ( 0.420 0.000 -0.672) 0.792 72.910 ( 0.141 0.000 0.151) 0.207 72.921 ( -0.041 0.000 -0.322) 0.325 94.739 ( -0.855 0.000 0.599) 1.045 94.809 ( 0.343 0.000 -1.881) 1.912 95.258 ( 1.079 0.000 11.656) 11.705 95.772 ( -9.415 0.000 -8.021) 12.368 96.588 ( 1.551 0.000 -0.153) 1.558 96.746 ( 1.427 0.000 -5.189) 5.382 97.221 ( -5.560 0.000 8.132) 9.851 98.053 ( 12.716 0.000 -17.867) 21.930 ======================= Grid point 103 (50/100) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -13.235 0.000 19.405) 23.489 1.120 ( -29.678 0.000 -4.061) 29.954 2.101 ( -11.972 0.000 19.238) 22.659 2.394 ( 10.440 0.000 -3.670) 11.066 2.728 ( -2.160 0.000 -0.665) 2.260 3.253 ( -0.522 0.000 -2.960) 3.006 3.279 ( 1.333 0.000 3.556) 3.797 3.561 ( -5.916 0.000 0.303) 5.924 3.707 ( 3.365 0.000 -19.063) 19.358 3.863 ( -5.793 0.000 8.490) 10.278 3.937 ( 5.232 0.000 -3.605) 6.354 4.094 ( -2.166 0.000 10.647) 10.865 4.201 ( -9.027 0.000 -0.004) 9.027 4.222 ( 1.550 0.000 0.467) 1.619 4.468 ( -1.349 0.000 -0.556) 1.460 4.496 ( 0.738 0.000 -1.204) 1.412 4.665 ( -3.497 0.000 11.695) 12.207 4.701 ( -0.114 0.000 -5.867) 5.869 4.834 ( -5.309 0.000 -5.065) 7.338 4.907 ( 0.176 0.000 8.183) 8.185 5.005 ( -0.567 0.000 1.854) 1.939 5.382 ( 3.714 0.000 2.576) 4.520 5.638 ( -7.623 0.000 10.294) 12.809 5.821 ( 9.819 0.000 -9.548) 13.696 5.951 ( 1.649 0.000 3.722) 4.071 6.119 ( 3.264 0.000 -4.161) 5.288 6.259 ( -0.058 0.000 1.660) 1.661 6.504 ( 2.030 0.000 6.445) 6.757 6.706 ( -3.770 0.000 -15.482) 15.934 6.717 ( 2.080 0.000 7.205) 7.499 6.788 ( 4.730 0.000 -2.718) 5.455 6.936 ( 2.845 0.000 -3.316) 4.369 7.088 ( 4.522 0.000 -6.338) 7.786 7.221 ( 5.797 0.000 -5.134) 7.744 7.396 ( 1.374 0.000 -1.381) 1.948 7.514 ( 0.882 0.000 -3.916) 4.014 7.564 ( -6.123 0.000 12.666) 14.068 7.926 ( -0.482 0.000 2.035) 2.092 8.126 ( 1.352 0.000 -4.728) 4.917 8.383 ( 3.303 0.000 -5.836) 6.706 8.540 ( -1.700 0.000 4.182) 4.514 8.785 ( -0.675 0.000 -4.136) 4.191 9.084 ( -7.534 0.000 3.743) 8.413 9.515 ( 6.194 0.000 1.888) 6.476 10.586 ( 1.823 0.000 -0.995) 2.077 10.628 ( 1.019 0.000 -2.787) 2.967 10.958 ( -4.094 0.000 -3.772) 5.567 11.009 ( 1.706 0.000 4.322) 4.647 12.732 ( 1.259 0.000 3.611) 3.824 12.891 ( 1.591 0.000 -3.992) 4.297 13.142 ( 0.132 0.000 1.069) 1.077 13.211 ( 0.084 0.000 -3.527) 3.528 14.194 ( -1.003 0.000 7.944) 8.007 14.518 ( 2.196 0.000 -4.337) 4.861 14.554 ( 0.892 0.000 10.050) 10.089 14.874 ( 0.130 0.000 -3.589) 3.592 16.299 ( -5.000 0.000 3.007) 5.835 16.610 ( -4.201 0.000 -14.928) 15.508 17.294 ( -0.162 0.000 1.815) 1.822 17.426 ( -1.898 0.000 -0.454) 1.952 21.138 ( -2.578 0.000 -1.081) 2.796 21.183 ( -1.334 0.000 -1.527) 2.027 21.731 ( -4.328 0.000 5.066) 6.663 22.125 ( -0.796 0.000 -5.789) 5.843 22.753 ( -0.667 0.000 -1.429) 1.577 22.850 ( -0.082 0.000 -3.553) 3.554 22.881 ( -0.862 0.000 3.111) 3.228 23.018 ( -0.178 0.000 -1.439) 1.450 23.323 ( -2.800 0.000 7.100) 7.632 23.853 ( 7.993 0.000 -3.726) 8.819 24.477 ( -0.088 0.000 5.228) 5.228 24.679 ( -0.271 0.000 -5.584) 5.590 28.284 ( -1.011 0.000 -0.732) 1.248 28.310 ( -0.606 0.000 -0.243) 0.653 28.318 ( -0.127 0.000 0.194) 0.232 28.373 ( 1.123 0.000 -0.615) 1.280 28.606 ( -0.908 0.000 -0.423) 1.001 28.707 ( 0.115 0.000 5.679) 5.680 28.712 ( 2.040 0.000 -0.578) 2.120 28.862 ( -5.591 0.000 -9.654) 11.157 29.622 ( -0.323 0.000 1.800) 1.829 29.761 ( 1.287 0.000 -0.948) 1.599 29.812 ( 0.275 0.000 0.439) 0.518 29.868 ( 1.398 0.000 1.323) 1.925 29.899 ( -0.327 0.000 -0.552) 0.641 29.940 ( 1.043 0.000 -0.830) 1.333 30.824 ( -1.057 0.000 -0.003) 1.057 30.852 ( -4.565 0.000 -8.944) 10.041 32.146 ( -12.418 0.000 3.444) 12.886 32.398 ( -3.537 0.000 -7.235) 8.053 32.665 ( 30.728 0.000 37.697) 48.634 32.956 ( 10.126 0.000 5.251) 11.406 48.371 ( -2.377 0.000 2.003) 3.108 48.420 ( 0.215 0.000 0.475) 0.521 48.430 ( -0.437 0.000 -0.185) 0.475 48.648 ( 2.803 0.000 -1.619) 3.237 72.852 ( -0.162 0.000 0.133) 0.210 72.879 ( -0.194 0.000 -1.146) 1.163 72.914 ( 0.147 0.000 0.133) 0.198 72.917 ( -0.098 0.000 -0.298) 0.314 94.721 ( -1.406 0.000 0.720) 1.580 94.799 ( 0.057 0.000 -1.944) 1.944 95.339 ( -2.486 0.000 13.847) 14.069 95.554 ( -7.054 0.000 -8.499) 11.045 96.599 ( -0.326 0.000 0.598) 0.681 96.748 ( 2.839 0.000 -5.272) 5.988 97.153 ( -6.275 0.000 5.609) 8.416 98.049 ( 0.436 0.000 -23.450) 23.454 ======================= Grid point 104 (51/100) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -10.795 0.000 20.488) 23.158 0.849 ( -5.784 0.000 27.816) 28.411 1.976 ( -17.555 0.000 31.240) 35.835 2.682 ( 15.973 0.000 9.021) 18.344 2.706 ( 1.714 0.000 -1.493) 2.273 3.213 ( -0.076 0.000 -5.278) 5.278 3.273 ( -3.119 0.000 -0.270) 3.131 3.360 ( -8.383 0.000 -1.933) 8.603 3.797 ( 8.589 0.000 -7.191) 11.202 3.875 ( 0.715 0.000 6.321) 6.361 3.972 ( -9.155 0.000 4.833) 10.352 4.089 ( 6.131 0.000 11.087) 12.669 4.275 ( 12.331 0.000 -4.530) 13.137 4.300 ( 5.500 0.000 5.913) 8.075 4.438 ( -1.188 0.000 0.047) 1.189 4.483 ( -1.981 0.000 0.046) 1.982 4.689 ( 0.854 0.000 -0.178) 0.872 4.701 ( -1.679 0.000 13.941) 14.042 4.736 ( -0.973 0.000 -5.301) 5.390 4.958 ( 0.106 0.000 -1.404) 1.408 5.007 ( -1.942 0.000 11.508) 11.670 5.435 ( -0.385 0.000 2.272) 2.304 5.546 ( -10.348 0.000 12.525) 16.247 5.911 ( 6.049 0.000 -12.090) 13.519 5.940 ( -2.437 0.000 -4.943) 5.511 6.130 ( 4.407 0.000 -8.335) 9.428 6.279 ( 1.599 0.000 0.306) 1.628 6.388 ( -10.764 0.000 -6.683) 12.670 6.583 ( 0.145 0.000 -14.126) 14.127 6.844 ( 9.940 0.000 -0.590) 9.958 6.898 ( 4.603 0.000 9.408) 10.474 6.964 ( 0.227 0.000 0.545) 0.590 7.169 ( 8.150 0.000 -8.372) 11.684 7.228 ( -1.745 0.000 -1.294) 2.173 7.443 ( 4.562 0.000 -0.878) 4.645 7.483 ( -2.786 0.000 -0.214) 2.794 7.589 ( 1.575 0.000 4.221) 4.505 7.917 ( -0.936 0.000 -1.917) 2.133 8.120 ( 1.003 0.000 -4.376) 4.490 8.450 ( 6.394 0.000 -2.534) 6.878 8.551 ( -0.936 0.000 5.732) 5.808 8.748 ( -0.411 0.000 -0.937) 1.023 8.942 ( -8.085 0.000 0.579) 8.106 9.493 ( -7.712 0.000 -15.101) 16.956 10.638 ( 1.558 0.000 -2.029) 2.558 10.676 ( 8.273 0.000 5.402) 9.880 10.855 ( -3.905 0.000 -3.302) 5.114 11.045 ( -0.783 0.000 3.539) 3.625 12.781 ( 0.700 0.000 3.888) 3.950 12.903 ( 2.334 0.000 -3.375) 4.104 13.145 ( -0.301 0.000 0.351) 0.462 13.184 ( -0.009 0.000 -3.740) 3.740 14.244 ( -0.731 0.000 9.159) 9.188 14.551 ( 3.785 0.000 -2.802) 4.709 14.689 ( 6.168 0.000 7.169) 9.457 14.857 ( 0.365 0.000 -2.482) 2.508 16.206 ( -5.728 0.000 1.180) 5.848 16.305 ( -15.953 0.000 -11.952) 19.933 17.311 ( 0.687 0.000 1.424) 1.581 17.376 ( -2.967 0.000 0.706) 3.049 21.091 ( -1.386 0.000 -0.540) 1.488 21.146 ( -1.225 0.000 -1.484) 1.924 21.687 ( -3.447 0.000 4.357) 5.556 21.998 ( -7.277 0.000 -6.496) 9.755 22.709 ( -2.497 0.000 -0.873) 2.645 22.818 ( -0.227 0.000 -3.833) 3.840 22.887 ( -0.772 0.000 3.296) 3.386 23.020 ( 1.143 0.000 -1.215) 1.668 23.324 ( -2.785 0.000 8.387) 8.837 23.965 ( 6.595 0.000 -7.910) 10.298 24.494 ( -2.346 0.000 4.664) 5.221 24.662 ( 2.115 0.000 -4.127) 4.637 28.265 ( -0.275 0.000 -0.799) 0.845 28.302 ( -0.254 0.000 0.060) 0.262 28.319 ( 0.007 0.000 0.505) 0.505 28.382 ( 0.430 0.000 -0.749) 0.864 28.564 ( -2.126 0.000 -1.961) 2.893 28.601 ( -7.756 0.000 -7.711) 10.936 28.756 ( 0.119 0.000 6.101) 6.102 28.812 ( 2.196 0.000 2.421) 3.268 29.635 ( 0.182 0.000 2.202) 2.210 29.780 ( 1.037 0.000 -0.459) 1.134 29.821 ( 0.497 0.000 0.195) 0.534 29.899 ( 0.465 0.000 0.181) 0.499 29.913 ( 2.041 0.000 0.962) 2.257 29.949 ( 0.601 0.000 -1.304) 1.436 30.697 ( -5.197 0.000 -4.470) 6.855 30.782 ( -2.490 0.000 -1.433) 2.873 31.974 ( -8.186 0.000 3.359) 8.848 32.305 ( -0.540 0.000 -8.733) 8.749 33.187 ( 7.780 0.000 9.985) 12.658 33.647 ( 42.840 0.000 16.629) 45.954 48.377 ( 1.346 0.000 2.752) 3.064 48.423 ( -0.176 0.000 0.233) 0.292 48.435 ( 1.017 0.000 1.765) 2.037 48.678 ( 1.475 0.000 -1.837) 2.356 72.849 ( -0.151 0.000 0.049) 0.159 72.856 ( -1.174 0.000 -0.800) 1.421 72.916 ( 0.104 0.000 -0.093) 0.139 72.917 ( 0.041 0.000 0.071) 0.082 94.701 ( -1.128 0.000 0.843) 1.408 94.788 ( 0.290 0.000 -2.154) 2.173 95.340 ( -7.277 0.000 13.038) 14.932 95.473 ( 6.607 0.000 -1.626) 6.804 96.598 ( -0.046 0.000 1.959) 1.960 96.782 ( 3.575 0.000 -3.666) 5.120 97.079 ( -3.947 0.000 2.844) 4.865 97.709 ( -19.673 0.000 -19.610) 27.778 ======================= Grid point 105 (52/100) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 6.236 7.983 28.323) 30.080 1.391 ( -1.152 36.145 13.740) 38.686 2.136 ( -4.466 18.494 22.161) 29.207 2.871 ( 5.329 -0.215 0.276) 5.341 2.933 ( 4.930 0.856 -0.020) 5.003 3.208 ( -3.108 2.283 -0.113) 3.858 3.252 ( 5.299 -1.440 9.005) 10.547 3.374 ( 2.701 11.516 -0.001) 11.828 3.790 ( -2.610 -3.598 1.576) 4.716 3.869 ( 4.568 -3.308 1.941) 5.965 3.983 ( 1.637 0.937 -0.986) 2.128 4.139 ( 2.287 -9.890 -0.840) 10.185 4.264 ( 4.544 -1.239 11.188) 12.139 4.418 ( 5.843 -7.094 5.623) 10.774 4.480 ( 7.123 -0.328 3.333) 7.871 4.544 ( 1.505 -8.210 2.815) 8.809 4.711 ( 0.264 3.357 4.952) 5.988 4.774 ( -1.124 1.630 3.844) 4.324 4.886 ( 2.426 8.915 -3.583) 9.910 5.009 ( 0.199 7.041 3.525) 7.877 5.083 ( 0.544 -0.448 9.731) 9.757 5.364 ( -6.041 1.052 12.914) 14.296 5.590 ( -7.246 9.353 -0.588) 11.846 5.782 ( 0.459 -2.764 -13.340) 13.631 5.916 ( -0.301 2.476 -13.944) 14.165 6.033 ( -8.837 -6.680 -9.096) 14.334 6.192 ( 3.744 0.399 -9.095) 9.843 6.335 ( -3.203 1.699 -2.769) 4.562 6.483 ( 1.671 0.741 -7.547) 7.766 6.857 ( 0.425 -8.948 -10.519) 13.816 6.938 ( -5.844 2.241 0.441) 6.275 7.003 ( 5.768 -4.024 7.215) 10.076 7.209 ( -5.576 0.010 9.192) 10.751 7.258 ( 6.353 -0.789 -3.388) 7.243 7.381 ( 1.416 1.690 7.778) 8.085 7.505 ( 0.688 -2.006 -0.500) 2.179 7.831 ( 0.086 4.268 -7.910) 8.988 7.869 ( 3.854 4.707 -6.569) 8.953 8.096 ( -0.067 0.605 -6.091) 6.121 8.355 ( 0.317 -13.663 -6.467) 15.119 8.597 ( 2.204 0.803 1.787) 2.949 8.752 ( -0.027 -1.581 0.804) 1.774 8.833 ( -0.564 0.186 2.174) 2.254 9.109 ( -15.030 3.076 -14.244) 20.935 10.657 ( 1.364 0.438 -1.340) 1.962 10.759 ( -3.140 0.133 -3.203) 4.487 10.858 ( 9.303 -6.232 6.224) 12.811 10.999 ( -2.122 -2.960 1.545) 3.956 12.821 ( -1.906 2.421 2.736) 4.121 12.944 ( 2.622 1.200 -1.823) 3.411 13.169 ( -0.013 1.472 -1.320) 1.977 13.179 ( 0.498 1.329 -2.047) 2.491 14.266 ( -1.885 -0.637 8.977) 9.195 14.624 ( 3.017 1.106 -2.264) 3.931 14.649 ( -5.574 -6.142 5.342) 9.866 14.848 ( 1.223 -0.631 -2.046) 2.466 16.125 ( 2.595 1.289 0.577) 2.954 16.186 ( -0.855 3.671 -2.476) 4.510 17.335 ( 0.358 0.153 1.429) 1.481 17.338 ( -1.724 0.224 0.983) 1.997 21.130 ( 0.688 4.738 0.083) 4.788 21.256 ( 1.610 8.798 -5.313) 10.404 21.692 ( -1.185 2.051 4.068) 4.707 21.864 ( -3.717 1.626 -1.044) 4.189 22.682 ( -0.864 1.108 0.420) 1.467 22.764 ( -0.175 -1.774 -1.647) 2.428 22.942 ( 0.374 3.081 0.688) 3.178 23.039 ( 0.895 -0.426 -1.737) 2.000 23.380 ( -2.706 4.268 7.570) 9.102 23.936 ( 0.118 -3.004 -6.598) 7.250 24.420 ( -3.387 -2.350 3.381) 5.331 24.666 ( 3.976 -3.128 -3.151) 5.960 28.256 ( 0.182 -0.717 -0.401) 0.842 28.276 ( -0.410 -0.758 -0.593) 1.046 28.344 ( -0.113 1.240 0.180) 1.258 28.376 ( 0.184 -0.186 -0.732) 0.777 28.493 ( -0.634 0.424 -1.375) 1.573 28.523 ( -1.341 1.290 -1.632) 2.475 28.766 ( -0.552 -2.008 4.132) 4.627 28.849 ( 2.104 -2.669 2.182) 4.039 29.664 ( 0.311 1.668 2.023) 2.640 29.795 ( -0.251 -0.093 -1.479) 1.503 29.852 ( -0.220 0.395 0.524) 0.692 29.905 ( 0.186 -0.490 -0.537) 0.750 29.938 ( -0.118 0.832 0.195) 0.862 30.133 ( 3.056 13.095 -8.276) 15.789 30.551 ( -3.056 -2.252 2.471) 4.529 30.849 ( -0.373 7.532 -5.904) 9.578 31.882 ( -3.929 0.153 3.103) 5.009 32.220 ( 1.069 -3.075 -7.503) 8.179 33.322 ( 1.195 -2.911 12.634) 13.020 33.856 ( -1.415 -16.662 1.088) 16.758 48.386 ( 0.134 -1.133 1.063) 1.559 48.440 ( 1.122 0.368 -0.303) 1.220 48.488 ( 1.824 -0.915 2.795) 3.461 48.662 ( -0.225 -1.095 -2.393) 2.641 72.843 ( 0.156 -0.041 0.070) 0.176 72.849 ( 0.024 0.074 -0.155) 0.173 72.914 ( -0.101 -0.224 0.000) 0.246 72.915 ( 0.132 -0.267 -0.028) 0.299 94.716 ( -0.405 1.936 1.028) 2.229 94.804 ( 1.233 1.952 -2.218) 3.202 95.235 ( -8.469 -2.073 9.019) 12.544 95.749 ( 27.937 -9.648 -5.072) 29.988 96.635 ( 1.599 -2.301 3.435) 4.433 96.791 ( 1.592 -0.932 -2.294) 2.943 97.005 ( -8.059 -6.161 5.172) 11.386 97.087 ( -9.837 -3.915 1.202) 10.655 ======================= Grid point 106 (53/100) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 2.130 24.795 18.261) 30.867 1.541 ( 8.026 21.139 19.006) 29.538 2.246 ( 5.435 17.073 2.478) 18.088 2.877 ( -0.089 -1.121 -6.384) 6.482 3.071 ( 7.910 0.790 -0.550) 7.968 3.177 ( -0.900 5.263 1.208) 5.475 3.411 ( 4.746 -3.822 3.444) 6.999 3.516 ( 7.775 10.210 8.026) 15.136 3.772 ( -0.419 -3.358 -1.067) 3.548 3.957 ( 3.108 1.412 1.739) 3.831 4.020 ( 1.681 -7.989 1.310) 8.268 4.125 ( -1.384 -5.808 -2.540) 6.488 4.357 ( 0.179 -1.355 2.948) 3.249 4.450 ( -1.664 -2.536 3.562) 4.679 4.572 ( 2.272 -4.034 -2.938) 5.483 4.660 ( 2.626 -0.475 0.021) 2.669 4.764 ( -1.688 -3.468 8.888) 9.689 4.776 ( 0.885 0.088 1.433) 1.687 4.962 ( 4.874 5.014 4.150) 8.131 5.100 ( 4.203 4.476 9.341) 11.178 5.153 ( 1.252 1.012 5.335) 5.572 5.378 ( -4.836 1.142 21.515) 22.081 5.460 ( -2.872 7.613 -4.679) 9.387 5.665 ( -3.948 3.442 -8.604) 10.073 5.815 ( -5.164 -5.002 -8.070) 10.808 5.863 ( 3.598 -3.225 -11.437) 12.416 6.133 ( -4.937 -6.152 -12.648) 14.906 6.272 ( -0.050 2.879 -1.425) 3.213 6.495 ( 5.093 4.314 -7.463) 10.012 6.658 ( -15.267 -0.894 -1.718) 15.389 6.849 ( 2.969 -1.432 -12.162) 12.601 7.100 ( -8.363 0.307 7.495) 11.234 7.174 ( 2.096 -5.436 3.604) 6.850 7.337 ( 1.883 -0.906 -0.249) 2.105 7.417 ( -4.182 6.862 6.385) 10.264 7.535 ( 1.355 -3.467 2.339) 4.396 7.725 ( -3.582 2.429 -8.162) 9.238 7.858 ( 0.748 2.243 -3.495) 4.219 8.060 ( 2.209 -0.433 -5.745) 6.171 8.363 ( 6.819 -8.999 -8.543) 14.159 8.649 ( 0.787 0.619 2.837) 3.008 8.730 ( -2.250 0.208 3.301) 4.000 8.833 ( -3.939 2.954 -2.302) 5.436 8.923 ( 4.859 -0.187 -2.193) 5.334 10.663 ( -0.866 -0.003 -1.344) 1.599 10.699 ( -0.282 1.190 -1.537) 1.965 10.921 ( -3.122 -4.916 -0.617) 5.856 11.059 ( 4.824 -5.214 2.695) 7.597 12.783 ( -3.321 2.296 1.690) 4.377 12.974 ( 1.479 1.743 -1.335) 2.647 13.140 ( -1.706 1.704 -0.669) 2.502 13.196 ( 2.323 0.777 -2.228) 3.312 14.281 ( -2.797 -0.267 7.631) 8.132 14.536 ( -8.351 -3.073 7.303) 11.511 14.656 ( 1.777 0.906 -3.293) 3.850 14.867 ( 2.173 -0.330 -1.940) 2.932 16.130 ( 1.426 1.238 -0.235) 1.903 16.342 ( 12.978 -0.556 -4.257) 13.670 17.324 ( -0.120 0.135 0.757) 0.779 17.356 ( 0.314 0.534 1.661) 1.772 21.149 ( 1.130 4.151 0.349) 4.316 21.263 ( 2.908 8.606 -4.914) 10.328 21.713 ( 0.039 1.873 4.944) 5.287 21.860 ( 3.165 1.567 -0.598) 3.582 22.681 ( 0.449 1.028 0.446) 1.207 22.764 ( 1.072 -1.729 -1.005) 2.269 22.945 ( -0.376 4.009 0.257) 4.035 23.049 ( 1.376 -1.481 -1.595) 2.575 23.380 ( -3.283 3.258 8.550) 9.721 23.868 ( -2.338 -2.410 -5.488) 6.433 24.389 ( -1.801 -1.399 2.296) 3.236 24.726 ( 4.289 -3.488 -3.021) 6.299 28.256 ( 0.314 -0.915 -0.478) 1.079 28.278 ( 0.869 -0.660 -0.275) 1.126 28.343 ( -0.120 0.567 0.191) 0.610 28.374 ( 0.034 0.197 -0.710) 0.738 28.466 ( -1.340 0.825 -0.508) 1.653 28.526 ( 2.104 0.990 -1.163) 2.600 28.772 ( -1.311 -2.187 2.775) 3.769 28.898 ( 1.512 -4.432 1.608) 4.951 29.685 ( 0.172 1.085 2.022) 2.301 29.783 ( 0.203 0.812 -1.320) 1.563 29.850 ( -0.676 -0.696 0.514) 1.098 29.894 ( -0.447 -0.228 -1.041) 1.156 29.933 ( -0.921 1.574 0.946) 2.054 30.114 ( 0.879 11.002 -7.155) 13.154 30.541 ( -0.835 -3.820 4.318) 5.826 30.837 ( 2.872 7.087 -4.384) 8.814 31.860 ( -0.918 0.639 2.974) 3.177 32.213 ( 3.117 -2.904 -5.425) 6.898 33.347 ( -7.511 -2.999 10.896) 13.569 33.588 ( -22.859 -7.674 2.617) 24.254 48.391 ( -0.207 -0.840 0.662) 1.090 48.453 ( 0.963 1.016 -0.901) 1.665 48.526 ( -0.274 -1.933 2.523) 3.190 48.630 ( -1.091 -0.806 -2.889) 3.192 72.845 ( 0.142 -0.111 -0.023) 0.181 72.858 ( 0.817 -0.026 -0.332) 0.883 72.910 ( -0.245 -0.284 -0.016) 0.375 72.917 ( 0.100 -0.263 -0.020) 0.282 94.720 ( 0.080 1.199 0.833) 1.462 94.818 ( 1.744 2.614 -2.213) 3.843 95.144 ( -6.160 -1.442 6.235) 8.883 96.168 ( 18.379 -12.363 -14.068) 26.240 96.577 ( -11.269 -4.327 5.226) 13.154 96.792 ( -1.686 -0.523 -3.543) 3.959 97.005 ( 16.516 -3.254 2.004) 16.952 97.114 ( 2.296 -2.898 4.699) 5.979 ======================= Grid point 107 (54/100) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.321 35.968 9.598) 37.228 1.882 ( 9.641 9.160 24.182) 27.598 2.352 ( 8.743 13.554 -10.581) 19.290 2.789 ( -2.733 0.511 -13.296) 13.583 3.105 ( -3.212 3.476 -10.399) 11.425 3.185 ( 0.122 9.083 2.874) 9.528 3.469 ( -0.316 1.860 -4.138) 4.548 3.633 ( 1.692 3.696 -4.496) 6.062 3.784 ( 6.439 -5.900 -0.935) 8.783 4.023 ( -2.455 -4.944 5.093) 7.511 4.045 ( 2.623 -7.463 1.238) 8.007 4.119 ( 2.340 -5.860 3.038) 7.003 4.317 ( -5.722 -4.731 -2.189) 7.740 4.460 ( 2.093 -0.265 1.368) 2.514 4.556 ( -0.649 0.088 -3.416) 3.478 4.622 ( -2.760 2.655 -6.399) 7.457 4.709 ( -6.403 -0.987 0.510) 6.499 4.821 ( -0.286 1.153 5.955) 6.072 5.074 ( 0.611 0.355 2.674) 2.766 5.157 ( -0.141 3.093 2.585) 4.034 5.225 ( -4.689 -3.501 3.105) 6.625 5.393 ( -4.826 -1.073 -4.190) 6.481 5.430 ( 5.974 9.120 5.605) 12.259 5.640 ( -0.012 -0.031 12.290) 12.290 5.753 ( 2.012 -3.113 -2.063) 4.242 5.836 ( -1.057 -1.734 -1.798) 2.712 5.997 ( 0.253 -3.620 0.469) 3.659 6.290 ( 2.067 4.097 -1.811) 4.933 6.364 ( -10.481 1.205 -3.931) 11.258 6.568 ( 7.496 6.327 -6.785) 11.928 6.847 ( 3.584 1.119 -9.073) 9.819 6.983 ( -5.561 1.616 6.288) 8.549 7.202 ( -1.894 -2.437 -4.437) 5.405 7.274 ( -4.656 5.646 1.797) 7.536 7.393 ( 1.243 -2.006 -2.943) 3.772 7.539 ( -2.603 -1.924 0.642) 3.299 7.639 ( -2.183 1.505 1.999) 3.321 7.911 ( 1.089 -4.594 5.689) 7.393 8.089 ( 3.983 0.771 -4.438) 6.013 8.448 ( 7.160 -3.251 -9.978) 12.704 8.628 ( -3.587 -1.323 1.418) 4.078 8.740 ( -0.058 -0.657 5.297) 5.338 8.863 ( 5.004 1.933 5.227) 7.490 9.010 ( 5.517 -2.570 -2.336) 6.519 10.614 ( -2.015 -0.356 -2.160) 2.975 10.715 ( 0.882 1.557 -0.105) 1.793 10.850 ( -2.249 -3.858 -2.102) 4.936 11.120 ( 0.581 -3.618 0.960) 3.788 12.735 ( -2.592 1.894 1.348) 3.481 12.973 ( -0.430 1.530 -2.075) 2.614 13.114 ( -0.584 1.158 0.376) 1.350 13.223 ( 2.045 0.856 -2.524) 3.359 14.261 ( -4.031 0.077 5.678) 6.964 14.467 ( -4.838 -1.991 8.347) 9.851 14.646 ( 0.054 1.421 -4.329) 4.557 14.895 ( 2.259 -0.157 -2.891) 3.672 16.193 ( 4.315 0.219 1.251) 4.498 16.516 ( 8.429 -3.986 -5.417) 10.784 17.339 ( 0.508 0.590 1.177) 1.411 17.374 ( 0.913 1.131 1.104) 1.825 21.175 ( 1.166 3.084 0.524) 3.338 21.293 ( 3.465 7.660 -4.667) 9.616 21.756 ( 0.205 1.706 5.948) 6.191 21.943 ( 5.622 1.206 -1.132) 5.860 22.704 ( 1.313 0.238 0.801) 1.556 22.786 ( 1.588 -0.971 -0.022) 1.862 22.933 ( -0.830 4.371 -0.224) 4.455 23.064 ( 1.214 -1.525 -1.579) 2.509 23.374 ( -3.481 2.318 8.199) 9.204 23.789 ( -1.963 -1.939 -4.870) 5.597 24.384 ( -0.252 -0.896 1.818) 2.043 24.770 ( 2.590 -3.652 -4.019) 6.016 28.269 ( 1.583 -0.763 -0.757) 1.913 28.295 ( 0.806 -1.062 0.067) 1.335 28.341 ( -0.197 0.043 0.100) 0.225 28.365 ( -0.466 0.164 -0.775) 0.919 28.456 ( 0.156 0.985 1.511) 1.811 28.563 ( 2.353 0.011 -0.873) 2.510 28.756 ( -1.889 -2.182 1.369) 3.195 28.924 ( 0.427 -6.402 0.271) 6.422 29.692 ( -0.744 1.243 1.520) 2.100 29.788 ( 0.878 2.170 -0.375) 2.371 29.834 ( -0.840 -0.840 -0.200) 1.205 29.879 ( -0.959 1.178 0.370) 1.563 29.921 ( -0.506 0.199 -0.082) 0.550 30.074 ( 0.102 8.889 -6.781) 11.181 30.577 ( 1.121 -3.778 5.273) 6.583 30.892 ( 5.277 6.753 -2.281) 8.869 31.880 ( 0.572 1.369 3.358) 3.671 32.267 ( 5.512 -2.795 -2.391) 6.627 33.145 ( -23.155 -1.903 4.235) 23.616 33.204 ( -15.161 -2.173 6.124) 16.495 48.391 ( -0.114 -0.482 0.512) 0.712 48.463 ( 0.664 0.834 -0.908) 1.401 48.515 ( -2.327 -1.225 2.138) 3.390 48.592 ( -0.469 -0.437 -2.952) 3.021 72.850 ( 0.293 0.023 0.036) 0.296 72.868 ( 0.553 -0.086 -0.438) 0.710 72.906 ( -0.163 -0.323 0.009) 0.362 72.918 ( 0.012 -0.353 -0.062) 0.358 94.730 ( 0.381 0.350 0.711) 0.879 94.834 ( 1.434 2.745 -2.110) 3.748 95.106 ( -2.025 -1.090 5.719) 6.164 96.181 ( -7.183 -10.259 -7.152) 14.422 96.494 ( 1.773 1.689 0.700) 2.547 96.761 ( 0.619 -0.490 -3.651) 3.735 97.180 ( 0.127 -3.293 6.882) 7.631 97.389 ( 22.387 -9.859 -7.689) 25.642 ======================= Grid point 108 (55/100) ======================= q-point: (-0.57 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -3.628 35.640 8.549) 36.830 2.174 ( 5.111 10.706 15.758) 19.725 2.351 ( -6.433 1.076 -15.326) 16.656 2.619 ( -0.184 3.460 -24.971) 25.211 2.819 ( -10.755 11.374 -7.341) 17.290 3.214 ( 0.681 9.087 3.665) 9.822 3.428 ( 3.507 12.042 -8.329) 15.056 3.653 ( 0.840 1.502 -3.740) 4.117 3.852 ( 2.087 -11.694 -4.304) 12.635 3.989 ( -4.845 -2.673 -0.995) 5.622 4.027 ( -5.618 -13.947 6.300) 16.302 4.126 ( -5.162 -11.019 -8.885) 15.067 4.235 ( 0.254 -6.871 1.123) 6.966 4.426 ( -8.313 0.448 -0.291) 8.330 4.518 ( -4.246 3.473 1.020) 5.579 4.594 ( 3.070 0.042 2.169) 3.759 4.625 ( 1.697 6.878 -2.441) 7.493 4.814 ( -4.560 -0.287 5.926) 7.483 4.939 ( -9.074 0.782 -9.505) 13.164 5.077 ( -4.139 0.095 -0.473) 4.167 5.107 ( -1.000 2.726 -11.938) 12.286 5.374 ( 0.415 -1.252 8.948) 9.045 5.588 ( 0.321 -2.563 4.155) 4.892 5.756 ( 2.475 3.552 7.138) 8.348 5.823 ( 7.858 7.516 5.951) 12.396 5.923 ( -2.596 1.438 0.138) 2.971 6.010 ( 7.102 -0.709 14.639) 16.286 6.304 ( 0.266 3.670 0.587) 3.726 6.348 ( 7.307 -4.961 0.156) 8.833 6.668 ( 6.095 6.260 -2.777) 9.168 6.842 ( 2.941 -1.648 -6.464) 7.291 7.020 ( 3.730 5.130 1.311) 6.477 7.067 ( -4.307 0.533 -5.801) 7.245 7.240 ( -1.977 5.527 -1.558) 6.073 7.404 ( 2.093 -5.257 -3.476) 6.641 7.479 ( -1.800 -1.298 -2.054) 3.024 7.635 ( -3.661 -0.268 9.425) 10.115 7.926 ( -2.700 -3.304 4.439) 6.157 8.130 ( 3.005 1.102 -4.068) 5.176 8.459 ( 2.028 -0.466 -10.974) 11.169 8.573 ( -3.102 -1.573 2.104) 4.065 8.788 ( 3.164 -0.978 -1.521) 3.644 9.014 ( 2.794 -1.995 10.482) 11.030 9.111 ( 6.187 -5.408 1.532) 8.359 10.571 ( -0.896 -0.356 -1.532) 1.810 10.686 ( -1.880 -1.507 -3.777) 4.480 10.859 ( 2.791 0.505 2.157) 3.563 11.107 ( -1.993 -1.909 -0.299) 2.776 12.709 ( -1.115 1.707 1.567) 2.572 12.938 ( -0.849 0.805 -3.376) 3.573 13.120 ( 0.266 1.153 1.471) 1.887 13.236 ( 1.338 0.685 -2.957) 3.317 14.220 ( -3.958 0.505 5.125) 6.495 14.453 ( -2.792 -2.184 7.683) 8.461 14.609 ( -0.441 2.487 -4.534) 5.190 14.906 ( 1.384 -0.210 -4.002) 4.240 16.284 ( 2.982 -0.498 2.875) 4.172 16.591 ( 3.915 -6.500 -5.589) 9.424 17.342 ( -1.345 1.943 2.231) 3.249 17.412 ( 2.344 0.678 -0.112) 2.443 21.192 ( 0.107 2.200 0.492) 2.257 21.319 ( 2.482 6.786 -4.542) 8.535 21.791 ( -1.266 1.983 6.296) 6.721 22.042 ( 5.383 0.565 -1.200) 5.544 22.733 ( 0.914 -0.756 0.899) 1.488 22.821 ( 1.642 0.119 1.081) 1.970 22.915 ( -0.600 3.904 -0.717) 4.015 23.068 ( 0.343 -0.692 -1.568) 1.748 23.363 ( -3.202 1.913 7.094) 8.014 23.737 ( 0.198 -1.588 -4.349) 4.635 24.401 ( 0.468 -0.782 2.185) 2.367 24.762 ( 0.062 -3.412 -5.482) 6.458 28.299 ( 1.522 -0.787 -0.550) 1.800 28.307 ( 0.765 -0.718 -0.021) 1.049 28.334 ( -0.438 -0.115 -0.357) 0.577 28.348 ( -0.712 -0.042 -0.751) 1.036 28.494 ( 1.679 -0.015 3.860) 4.209 28.602 ( 2.350 -0.760 -0.475) 2.515 28.724 ( -2.042 -1.930 0.320) 2.828 28.915 ( -0.937 -8.102 -1.470) 8.287 29.681 ( -1.356 2.373 1.357) 3.051 29.799 ( -0.004 2.464 0.053) 2.465 29.827 ( 0.293 0.319 0.553) 0.703 29.873 ( 0.490 1.226 0.214) 1.338 29.911 ( -0.329 -0.528 -0.669) 0.913 30.029 ( 0.339 8.242 -6.991) 10.813 30.648 ( 1.938 -3.451 5.649) 6.897 30.996 ( 6.786 6.945 -2.022) 9.918 31.934 ( 1.859 2.237 7.399) 7.950 32.382 ( 6.391 -2.974 1.208) 7.152 32.752 ( -20.543 1.098 4.163) 20.990 32.944 ( -13.221 -1.853 -1.338) 13.417 48.395 ( -0.001 -0.434 0.659) 0.789 48.458 ( -1.219 -0.026 -0.240) 1.242 48.480 ( -1.814 0.329 0.783) 2.003 48.579 ( 1.171 -0.275 -2.503) 2.777 72.855 ( 0.116 0.206 0.128) 0.269 72.874 ( 0.410 -0.188 -0.439) 0.630 72.905 ( 0.034 -0.281 0.070) 0.292 72.917 ( -0.031 -0.486 -0.147) 0.508 94.741 ( 0.228 0.149 0.825) 0.869 94.839 ( 0.585 2.361 -2.094) 3.210 95.145 ( 0.985 -1.445 7.657) 7.855 95.955 ( -10.326 -6.094 -6.183) 13.490 96.553 ( 3.311 1.059 -0.645) 3.535 96.752 ( 1.110 -0.402 -4.077) 4.245 97.207 ( -2.728 -3.277 7.855) 8.938 97.692 ( 16.137 -13.580 -10.974) 23.775 ======================= Grid point 109 (56/100) ======================= q-point: (-0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -7.209 34.931 9.053) 36.798 1.831 ( -28.592 1.201 -20.794) 35.374 2.295 ( -2.777 15.445 12.062) 19.793 2.387 ( 0.127 1.740 -21.640) 21.710 2.855 ( 4.970 12.461 4.195) 14.056 3.262 ( 1.235 6.362 3.737) 7.481 3.459 ( 3.419 14.431 -4.877) 15.612 3.602 ( -1.064 3.062 -7.997) 8.629 3.770 ( -6.147 -12.530 -9.982) 17.159 3.835 ( -4.645 -9.295 -3.878) 11.091 3.947 ( -9.830 -10.638 0.853) 14.510 3.996 ( -3.172 -6.924 6.796) 10.207 4.198 ( -0.681 -3.144 -2.828) 4.283 4.260 ( -6.952 -0.692 0.028) 6.986 4.475 ( -4.435 -5.132 9.616) 11.767 4.566 ( -6.744 -0.581 -0.511) 6.788 4.703 ( 3.478 8.118 -0.824) 8.870 4.750 ( -4.515 -2.552 3.072) 6.028 4.795 ( -0.255 2.951 -4.802) 5.642 5.006 ( -0.332 2.064 -2.518) 3.273 5.156 ( 4.786 6.824 -1.092) 8.406 5.335 ( -4.359 1.953 1.235) 4.933 5.595 ( 2.485 -3.460 -2.264) 4.824 5.834 ( -0.985 3.045 1.592) 3.575 5.881 ( 4.057 4.020 5.051) 7.624 6.084 ( 8.226 5.242 4.889) 10.911 6.272 ( 5.346 -2.544 13.546) 14.783 6.312 ( 2.269 4.337 1.885) 5.245 6.505 ( 6.890 -5.709 1.674) 9.103 6.753 ( 4.660 3.285 -1.837) 5.990 6.882 ( 3.963 -0.181 -7.174) 8.198 6.925 ( -2.531 0.258 -5.880) 6.407 7.120 ( 1.115 3.749 -0.469) 3.939 7.170 ( -0.287 2.794 -4.369) 5.194 7.417 ( 0.758 0.623 -2.077) 2.297 7.463 ( 1.789 -4.770 -3.213) 6.023 7.622 ( -4.630 1.386 11.013) 12.027 7.904 ( -1.870 -2.370 3.477) 4.604 8.136 ( 1.058 0.584 -5.190) 5.329 8.406 ( 1.071 0.085 -10.263) 10.319 8.546 ( -1.638 -0.489 2.787) 3.270 8.813 ( 1.747 -0.029 -5.519) 5.789 9.069 ( -3.414 -6.310 8.208) 10.901 9.266 ( 7.156 -6.812 4.450) 10.836 10.565 ( 1.070 -0.292 -0.981) 1.481 10.634 ( -0.480 -1.283 -3.710) 3.954 10.941 ( 2.883 1.034 3.873) 4.938 11.047 ( -3.377 -0.718 -1.698) 3.847 12.716 ( 0.426 1.771 2.218) 2.871 12.905 ( 0.196 0.372 -4.060) 4.082 13.138 ( 0.435 1.094 1.725) 2.089 13.233 ( 0.559 0.492 -3.145) 3.232 14.191 ( -2.909 0.802 5.936) 6.659 14.463 ( -1.168 -2.238 6.398) 6.877 14.576 ( -0.120 3.058 -2.820) 4.162 14.893 ( 0.446 -0.382 -4.404) 4.443 16.322 ( -1.494 -1.149 3.255) 3.761 16.598 ( 1.368 -7.775 -6.928) 10.504 17.326 ( -1.635 2.280 1.965) 3.425 17.443 ( 0.713 0.330 -0.208) 0.812 21.182 ( -1.479 2.049 0.455) 2.568 21.320 ( 0.893 6.580 -4.334) 7.930 21.789 ( -3.340 2.125 5.753) 6.984 22.115 ( 3.142 -0.313 -2.125) 3.806 22.746 ( -0.111 -0.804 0.565) 0.989 22.853 ( 0.605 -0.147 0.598) 0.863 22.904 ( -0.102 2.872 -0.377) 2.898 23.057 ( -0.204 0.689 -1.693) 1.839 23.356 ( -2.289 2.301 6.219) 7.015 23.747 ( 3.765 -1.365 -3.132) 5.084 24.428 ( 0.300 -1.069 3.166) 3.354 24.707 ( -1.197 -2.973 -6.118) 6.907 28.301 ( -0.688 -0.482 -0.175) 0.858 28.309 ( -0.852 -0.760 -0.277) 1.175 28.334 ( -0.037 0.191 -0.568) 0.600 28.345 ( 1.748 -0.174 -0.647) 1.872 28.557 ( 1.569 -1.400 4.096) 4.604 28.646 ( 2.397 -1.440 0.283) 2.811 28.689 ( -1.561 -1.481 0.115) 2.155 28.866 ( -2.574 -8.297 -3.280) 9.286 29.664 ( -1.452 3.722 1.578) 4.296 29.796 ( 0.024 0.727 -0.048) 0.729 29.847 ( 0.839 0.372 0.874) 1.267 29.891 ( 0.372 1.156 -0.564) 1.339 29.907 ( 1.065 -0.238 0.001) 1.092 29.999 ( 2.119 10.367 -7.208) 12.803 30.708 ( 0.357 -3.005 4.048) 5.054 31.086 ( 4.909 8.173 -7.418) 12.080 32.105 ( 8.066 1.605 19.847) 21.483 32.393 ( -13.887 -1.263 4.438) 14.633 32.502 ( -3.635 0.404 -0.060) 3.658 32.786 ( 1.664 -1.257 -2.024) 2.906 48.398 ( -0.312 -0.723 0.886) 1.185 48.414 ( -2.974 -0.354 0.941) 3.139 48.465 ( -0.176 1.460 -0.760) 1.655 48.600 ( 2.538 -0.463 -1.915) 3.213 72.854 ( -0.209 0.126 0.128) 0.275 72.879 ( 0.404 -0.182 -0.540) 0.698 72.907 ( 0.050 -0.331 0.103) 0.351 72.915 ( 0.013 -0.475 -0.222) 0.524 94.746 ( -0.453 0.727 0.992) 1.311 94.828 ( -0.061 1.693 -2.136) 2.726 95.233 ( 1.103 -2.155 10.694) 10.965 95.723 ( -8.756 -4.559 -8.466) 13.004 96.596 ( 1.408 0.808 -0.033) 1.624 96.743 ( 1.248 -0.303 -4.796) 4.965 97.185 ( -5.076 -3.099 7.226) 9.359 97.834 ( 7.122 -17.887 -12.596) 23.007 ======================= Grid point 110 (57/100) ======================= q-point: (-0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -26.740 6.609 -4.585) 27.923 1.460 ( -9.185 34.147 11.133) 37.072 2.252 ( -10.409 14.147 17.201) 24.584 2.400 ( 8.365 3.146 -2.876) 9.388 2.911 ( -0.400 14.706 0.249) 14.713 3.262 ( -3.369 -1.004 1.310) 3.752 3.443 ( -2.316 6.671 -5.441) 8.915 3.482 ( -9.130 0.294 0.667) 9.159 3.688 ( 9.684 -0.238 -13.849) 16.901 3.772 ( -3.635 -7.855 8.213) 11.932 3.863 ( 2.043 -7.800 -0.640) 8.088 4.031 ( 4.044 -5.663 2.009) 7.243 4.123 ( -8.434 -0.480 5.530) 10.097 4.227 ( 1.457 -2.314 -0.303) 2.751 4.354 ( -9.795 -5.282 -0.815) 11.159 4.497 ( -0.842 -7.550 8.366) 11.300 4.715 ( -0.554 -0.827 0.448) 1.092 4.732 ( 0.598 10.643 -0.541) 10.673 4.822 ( 3.393 4.109 -0.556) 5.358 5.001 ( -0.188 -0.695 0.647) 0.968 5.119 ( -5.097 11.610 0.158) 12.680 5.363 ( 0.952 -0.042 5.365) 5.449 5.663 ( 4.439 0.527 -1.000) 4.581 5.827 ( 2.500 -0.066 -5.854) 6.366 5.979 ( 2.983 2.801 1.907) 4.515 6.187 ( 2.126 4.251 -3.835) 6.107 6.290 ( -1.472 1.158 1.439) 2.362 6.482 ( 3.556 0.292 8.121) 8.871 6.578 ( -1.311 -5.598 0.764) 5.800 6.745 ( -3.369 0.080 -6.167) 7.028 6.853 ( 5.402 2.116 -6.182) 8.478 6.975 ( 5.112 2.651 -2.744) 6.379 7.091 ( 2.250 0.467 -3.480) 4.170 7.204 ( 2.971 0.803 -1.464) 3.408 7.375 ( -4.461 -2.698 0.726) 5.264 7.480 ( 1.824 -3.128 -2.861) 4.615 7.649 ( 1.089 5.919 7.105) 9.311 7.908 ( -0.280 -1.576 2.225) 2.741 8.117 ( 1.178 -0.644 -4.602) 4.794 8.376 ( 1.924 -1.156 -6.732) 7.096 8.544 ( -0.747 0.720 2.828) 3.013 8.779 ( -1.445 -0.820 -3.979) 4.312 9.015 ( -5.692 -5.464 2.442) 8.259 9.420 ( 5.810 -7.888 2.076) 10.014 10.587 ( 1.899 0.037 -1.243) 2.270 10.620 ( 1.293 -0.678 -2.618) 2.998 10.949 ( -3.985 -0.340 -2.180) 4.555 11.013 ( 0.512 -0.127 3.036) 3.082 12.754 ( 1.550 1.949 3.245) 4.090 12.893 ( 1.512 0.203 -3.878) 4.167 13.159 ( 0.607 1.385 1.364) 2.036 13.214 ( -0.165 0.313 -3.275) 3.294 14.196 ( -1.578 0.448 7.670) 7.843 14.506 ( 1.947 -1.627 4.252) 4.952 14.571 ( 0.364 2.079 1.293) 2.475 14.868 ( 0.123 -0.583 -3.913) 3.958 16.272 ( -5.451 -2.141 1.781) 6.122 16.528 ( -3.792 -6.158 -8.797) 11.388 17.313 ( -0.851 1.556 1.429) 2.277 17.430 ( -1.962 0.273 0.068) 1.982 21.150 ( -1.938 2.918 0.449) 3.531 21.297 ( 0.032 7.099 -4.260) 8.279 21.751 ( -4.302 1.992 4.807) 6.752 22.112 ( -1.472 -1.028 -4.481) 4.828 22.736 ( -1.196 -0.672 0.060) 1.373 22.841 ( -1.431 -0.835 -1.547) 2.267 22.909 ( 0.295 2.209 0.974) 2.432 23.044 ( 0.214 1.505 -1.914) 2.444 23.363 ( -1.433 3.481 5.793) 6.908 23.833 ( 6.955 -1.864 -2.759) 7.711 24.452 ( -0.604 -1.922 4.266) 4.718 24.649 ( -0.273 -2.738 -5.453) 6.108 28.278 ( -0.999 -0.497 -0.762) 1.351 28.293 ( -0.663 -0.683 0.068) 0.955 28.336 ( 0.350 0.871 -0.127) 0.947 28.368 ( 1.054 -0.385 -0.634) 1.288 28.584 ( -0.650 -2.061 0.152) 2.166 28.667 ( -1.672 -2.988 -0.501) 3.460 28.695 ( 1.589 -1.764 2.371) 3.356 28.788 ( -2.278 -3.937 -2.083) 5.003 29.651 ( -1.046 3.850 1.680) 4.329 29.802 ( 0.558 -0.146 -0.067) 0.581 29.860 ( 0.290 0.461 -0.254) 0.601 29.885 ( -0.132 -0.430 -0.275) 0.527 29.931 ( 0.989 -0.688 -0.598) 1.345 30.027 ( 5.806 14.108 -6.446) 16.561 30.703 ( -2.670 -1.919 0.577) 3.338 31.051 ( -1.059 9.644 -11.851) 15.316 32.143 ( -12.197 -0.249 3.020) 12.568 32.353 ( -2.292 -4.018 -3.380) 5.729 32.655 ( 23.004 -0.200 29.700) 37.568 32.953 ( 11.453 -0.758 6.597) 13.239 48.370 ( -2.261 -0.073 2.035) 3.042 48.399 ( -0.319 -0.925 0.836) 1.287 48.460 ( 0.078 1.707 -0.578) 1.804 48.639 ( 2.602 -0.826 -1.655) 3.193 72.850 ( -0.297 -0.105 0.061) 0.321 72.877 ( -0.262 -0.166 -0.829) 0.885 72.908 ( 0.077 -0.480 0.004) 0.486 72.915 ( 0.073 -0.209 -0.083) 0.237 94.737 ( -1.154 1.491 0.986) 2.128 94.812 ( 0.021 1.239 -2.029) 2.378 95.310 ( -2.179 -2.624 12.744) 13.193 95.512 ( -6.731 -3.810 -8.403) 11.421 96.606 ( -0.364 0.655 0.540) 0.924 96.742 ( 2.436 -0.535 -4.947) 5.540 97.120 ( -6.020 -2.887 5.203) 8.464 97.764 ( -5.803 -21.639 -12.878) 25.841 ======================= Grid point 111 (58/100) ======================= q-point: (-0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -4.625 9.196 25.879) 27.851 1.381 ( -7.557 33.856 13.674) 37.287 2.152 ( -14.502 18.273 26.404) 35.233 2.639 ( 13.645 -1.243 6.192) 15.035 2.892 ( 0.321 10.614 -1.737) 10.759 3.202 ( -2.737 -2.740 1.725) 4.239 3.302 ( -6.539 0.468 -0.812) 6.606 3.390 ( -1.770 9.196 -3.794) 10.104 3.776 ( 2.521 -3.332 2.928) 5.102 3.831 ( 3.800 -2.830 -4.295) 6.396 3.939 ( 0.673 -3.640 4.585) 5.893 4.056 ( 4.602 -1.780 6.925) 8.503 4.109 ( -0.107 -6.447 2.747) 7.009 4.251 ( 5.261 -8.371 4.309) 10.785 4.346 ( 4.893 -1.431 -0.622) 5.135 4.540 ( -0.689 -10.213 5.601) 11.669 4.701 ( -1.597 8.407 2.164) 8.827 4.750 ( 1.118 6.155 0.919) 6.323 4.876 ( 2.322 6.864 -1.962) 7.507 5.005 ( 0.008 -0.537 1.794) 1.873 5.045 ( -3.599 8.241 4.533) 10.070 5.385 ( -3.500 -0.390 8.779) 9.459 5.685 ( -3.215 7.068 3.242) 8.415 5.835 ( 3.571 -4.306 -11.987) 13.228 6.007 ( 0.456 3.350 -6.519) 7.344 6.151 ( 2.123 0.456 -11.351) 11.557 6.245 ( -4.153 -2.523 -1.405) 5.059 6.445 ( -7.065 4.765 -3.165) 9.090 6.522 ( -0.318 -2.354 -5.439) 5.935 6.778 ( 6.796 -4.187 4.796) 9.312 6.886 ( 1.864 -3.725 -4.911) 6.440 7.035 ( 0.595 5.350 0.832) 5.447 7.163 ( 7.415 -1.014 -6.599) 9.978 7.239 ( -1.350 1.788 2.215) 3.150 7.313 ( -1.501 -3.622 5.999) 7.166 7.495 ( 1.225 -1.588 -1.366) 2.426 7.749 ( 6.722 7.086 -0.479) 9.779 7.901 ( -0.662 -1.206 -2.531) 2.881 8.117 ( 1.314 -0.240 -3.931) 4.151 8.376 ( 1.347 -6.969 -3.568) 7.944 8.557 ( 0.203 0.838 2.840) 2.968 8.736 ( -0.634 -1.233 -0.140) 1.394 8.908 ( -5.643 -1.887 -0.786) 6.002 9.430 ( -4.580 -5.569 -10.816) 12.999 10.638 ( 1.907 -0.095 -1.931) 2.716 10.653 ( 5.964 -1.551 3.607) 7.140 10.851 ( -4.070 -0.067 -3.142) 5.142 11.023 ( -1.687 -2.007 2.914) 3.920 12.807 ( 0.929 2.177 3.666) 4.364 12.909 ( 2.564 0.486 -2.841) 3.858 13.176 ( 0.268 2.033 0.106) 2.053 13.187 ( 0.061 0.285 -3.067) 3.081 14.231 ( -1.145 -0.502 8.980) 9.067 14.574 ( 3.882 1.615 -2.879) 5.096 14.627 ( 1.576 -4.369 8.557) 9.737 14.849 ( 0.482 -0.709 -2.908) 3.031 16.159 ( -5.917 -1.779 -0.483) 6.198 16.335 ( -9.381 0.572 -5.844) 11.067 17.317 ( 0.229 0.554 1.257) 1.393 17.381 ( -3.054 0.425 0.770) 3.178 21.127 ( -0.633 4.230 0.269) 4.286 21.271 ( 0.606 8.026 -4.743) 9.343 21.706 ( -3.300 1.919 4.111) 5.610 21.997 ( -6.533 -0.013 -4.699) 8.047 22.706 ( -1.767 0.282 0.257) 1.808 22.794 ( -1.647 -1.351 -1.947) 2.886 22.925 ( 0.640 2.314 1.010) 2.604 23.038 ( 0.552 0.921 -1.906) 2.188 23.376 ( -1.755 4.462 6.152) 7.800 23.931 ( 5.261 -2.957 -5.575) 8.216 24.454 ( -2.550 -2.902 4.268) 5.757 24.632 ( 2.041 -2.842 -4.134) 5.416 28.260 ( -0.299 -0.439 -0.806) 0.966 28.286 ( -0.265 -0.847 -0.001) 0.887 28.342 ( 0.206 1.319 0.146) 1.343 28.376 ( 0.421 -0.452 -0.691) 0.927 28.545 ( -2.643 -1.668 -2.246) 3.849 28.582 ( -3.674 -0.513 -3.035) 4.793 28.738 ( 0.211 -1.728 4.859) 5.162 28.795 ( 1.926 -1.471 1.646) 2.930 29.650 ( -0.275 2.801 1.810) 3.346 29.806 ( 0.027 -0.428 -0.750) 0.864 29.856 ( -0.191 0.929 -0.540) 1.092 29.893 ( 0.734 -0.057 0.627) 0.967 29.938 ( 0.475 -0.494 -1.088) 1.286 30.100 ( 6.127 13.925 -7.462) 16.945 30.625 ( -4.747 -0.751 -0.779) 4.869 30.931 ( -2.924 8.848 -8.438) 12.571 31.972 ( -7.990 -0.128 3.056) 8.555 32.271 ( -0.759 -3.155 -8.000) 8.633 33.144 ( 8.609 -3.639 11.885) 15.120 33.487 ( 30.453 -11.671 18.844) 37.666 48.368 ( 0.244 -0.548 2.634) 2.702 48.407 ( 0.615 -0.935 1.799) 2.119 48.460 ( 0.288 1.627 -0.015) 1.652 48.666 ( 1.394 -1.103 -1.865) 2.576 72.845 ( -0.270 -0.213 -0.026) 0.345 72.859 ( -0.825 0.090 -0.516) 0.977 72.911 ( 0.224 -0.346 -0.024) 0.413 72.916 ( -0.019 -0.175 -0.004) 0.176 94.722 ( -1.013 1.928 1.003) 2.398 94.803 ( 0.481 1.406 -2.054) 2.535 95.312 ( -6.723 -2.577 12.026) 14.017 95.430 ( 5.185 -3.876 -1.769) 6.711 96.602 ( -0.343 0.411 1.663) 1.747 96.769 ( 3.199 -1.086 -3.623) 4.954 97.046 ( -4.309 -3.012 3.162) 6.135 97.450 ( -18.735 -17.897 -6.303) 26.665 ======================= Grid point 112 (59/100) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 5.088 14.760 23.805) 28.468 2.007 ( 1.518 22.095 21.033) 30.543 2.618 ( 3.683 -8.450 1.483) 9.337 2.768 ( -2.577 23.094 3.430) 23.489 2.945 ( 7.486 -1.657 12.383) 14.564 3.229 ( -2.195 -1.923 0.781) 3.021 3.411 ( 1.741 15.882 -7.719) 17.745 3.591 ( 1.311 -1.173 4.560) 4.888 3.733 ( -0.431 -4.179 6.363) 7.624 3.830 ( 4.915 9.569 0.918) 10.796 3.980 ( 0.868 -0.361 -5.180) 5.265 4.016 ( 3.681 -1.269 4.647) 6.063 4.221 ( 3.141 -2.065 7.619) 8.496 4.310 ( 7.582 -1.404 5.367) 9.394 4.388 ( 3.241 -4.435 2.309) 5.959 4.465 ( 8.750 -1.910 3.850) 9.749 4.781 ( -3.814 4.866 5.418) 8.221 4.813 ( -2.860 -0.886 1.246) 3.243 4.957 ( 0.893 0.115 1.027) 1.366 5.049 ( 0.089 -2.719 3.923) 4.774 5.206 ( -1.977 9.318 -1.278) 9.611 5.379 ( -5.080 -2.031 11.071) 12.349 5.666 ( -3.316 -4.444 -3.653) 6.640 5.745 ( -0.675 -5.562 -10.074) 11.527 5.892 ( -3.028 2.127 -7.673) 8.518 6.021 ( -4.023 4.796 -13.213) 14.621 6.184 ( 0.147 0.047 -8.449) 8.450 6.362 ( -0.853 1.425 -10.449) 10.580 6.574 ( -2.868 6.230 -0.349) 6.868 6.709 ( -0.216 -3.591 -1.337) 3.837 6.876 ( 4.631 -5.774 8.078) 10.956 7.008 ( -6.815 2.453 0.453) 7.258 7.214 ( 3.627 -2.315 0.967) 4.410 7.239 ( -2.796 1.951 3.124) 4.625 7.414 ( 2.363 -0.556 -0.081) 2.429 7.491 ( -0.403 0.649 4.402) 4.467 7.809 ( -2.522 -1.899 -6.854) 7.546 7.976 ( 10.481 1.499 -5.799) 12.072 8.040 ( -3.306 -12.319 -5.301) 13.813 8.110 ( 3.230 -0.515 -5.626) 6.507 8.614 ( 1.923 0.472 1.981) 2.801 8.713 ( 0.045 -2.065 2.030) 2.896 8.856 ( -1.898 2.263 -1.116) 3.158 9.114 ( -8.197 -2.561 -12.138) 14.869 10.668 ( 2.009 0.546 -0.948) 2.288 10.740 ( 2.893 -2.909 4.511) 6.097 10.778 ( -0.076 0.301 -2.884) 2.900 10.924 ( -2.395 -3.640 0.299) 4.367 12.881 ( -1.260 2.944 2.028) 3.791 12.970 ( 2.885 1.000 -0.727) 3.138 13.182 ( 1.079 0.330 -1.635) 1.987 13.201 ( -1.178 -0.008 -0.255) 1.206 14.274 ( -1.882 1.611 8.617) 8.966 14.522 ( -4.975 -5.251 8.443) 11.118 14.665 ( 3.010 2.444 -3.498) 5.222 14.826 ( 1.865 -1.476 -2.970) 3.805 16.159 ( 1.710 1.759 0.835) 2.591 16.232 ( -0.686 0.638 -1.935) 2.150 17.340 ( 0.177 0.270 1.345) 1.384 17.346 ( -1.753 0.369 0.891) 2.001 21.259 ( 0.548 6.598 0.110) 6.622 21.406 ( 2.137 4.387 -4.936) 6.941 21.761 ( -0.495 4.275 2.574) 5.015 21.901 ( -2.717 1.434 -0.958) 3.218 22.715 ( -0.859 1.552 0.622) 1.879 22.750 ( -0.462 0.772 -0.234) 0.930 22.982 ( 1.580 0.030 -1.074) 1.910 23.020 ( -0.184 -0.814 -1.739) 1.929 23.496 ( -2.390 6.068 5.201) 8.341 23.854 ( -1.201 -4.506 -1.493) 4.897 24.378 ( -1.269 -1.106 0.554) 1.772 24.572 ( 3.499 -5.289 -3.439) 7.214 28.241 ( -0.138 -0.502 -0.470) 0.701 28.259 ( -0.023 -0.800 -0.764) 1.107 28.364 ( -0.429 0.495 -0.010) 0.655 28.377 ( 0.436 0.299 -0.184) 0.560 28.509 ( -0.519 1.087 -0.321) 1.246 28.555 ( -0.321 1.470 -0.832) 1.719 28.714 ( -0.354 -2.514 2.244) 3.388 28.785 ( 1.085 -3.187 0.489) 3.402 29.713 ( -0.646 2.267 1.058) 2.584 29.785 ( -0.023 -0.712 -0.450) 0.843 29.859 ( -0.369 0.388 -0.300) 0.614 29.893 ( -0.057 -0.549 -1.336) 1.446 29.975 ( 0.284 2.765 3.465) 4.442 30.255 ( 0.427 -2.205 -1.820) 2.891 30.675 ( -0.889 12.441 -10.564) 16.345 30.992 ( 0.232 5.177 -10.791) 11.971 31.893 ( -3.045 1.036 2.322) 3.967 32.128 ( 0.573 -5.202 -5.399) 7.520 33.256 ( 1.048 -2.682 12.900) 13.218 33.518 ( -0.324 -13.153 10.111) 16.593 48.370 ( -0.145 -0.340 1.912) 1.947 48.419 ( 1.200 -1.581 2.405) 3.119 48.501 ( 0.383 1.586 -0.321) 1.663 48.630 ( -0.007 -1.860 -2.292) 2.952 72.842 ( 0.053 -0.006 0.054) 0.076 72.848 ( 0.012 -0.082 -0.175) 0.194 72.908 ( -0.016 -0.288 -0.030) 0.290 72.908 ( 0.044 -0.314 -0.045) 0.320 94.775 ( -1.095 3.464 1.361) 3.879 94.861 ( 1.928 3.113 -1.587) 3.991 95.180 ( -6.428 -2.651 6.963) 9.840 95.508 ( 16.395 -11.576 -0.508) 20.076 96.609 ( -2.097 0.262 2.384) 3.186 96.765 ( 1.987 -1.810 -2.605) 3.743 96.894 ( -5.436 -3.270 6.131) 8.822 97.007 ( -2.281 -3.835 1.274) 4.640 ======================= Grid point 113 (60/100) ======================= q-point: ( 0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 8.426 12.533 20.606) 25.548 2.209 ( 6.045 23.724 11.073) 26.870 2.746 ( -0.657 24.416 -0.006) 24.425 2.767 ( 10.523 -7.447 -4.054) 13.514 3.109 ( 2.437 0.111 8.882) 9.211 3.251 ( 2.288 -2.849 2.177) 4.253 3.401 ( 3.286 13.512 -8.119) 16.103 3.628 ( 2.175 -0.430 -2.200) 3.123 3.794 ( 2.025 -7.900 6.536) 10.451 3.936 ( 3.166 6.347 1.293) 7.210 3.976 ( 0.805 4.905 -2.154) 5.418 4.055 ( -2.194 -0.624 3.255) 3.975 4.311 ( 2.298 -2.119 2.685) 4.121 4.392 ( 1.153 -0.406 -1.589) 2.005 4.474 ( 3.451 -3.899 -1.866) 5.531 4.644 ( 4.080 -3.543 6.813) 8.696 4.731 ( -4.973 -0.168 3.989) 6.377 4.820 ( 0.705 5.877 6.167) 8.548 4.996 ( 1.821 -2.105 1.459) 3.142 5.062 ( -1.005 -5.989 4.335) 7.461 5.209 ( 0.518 2.604 4.512) 5.235 5.368 ( -3.845 -2.653 13.393) 14.184 5.606 ( -0.696 -2.297 0.793) 2.527 5.610 ( -4.710 -7.853 -7.963) 12.135 5.803 ( -1.884 9.611 -10.634) 14.457 5.883 ( -1.959 2.581 -6.897) 7.620 6.048 ( -3.730 2.040 -12.863) 13.548 6.337 ( 3.408 0.875 -8.552) 9.248 6.565 ( 3.579 2.733 -4.781) 6.567 6.653 ( -7.036 2.990 0.948) 7.704 6.898 ( 0.006 0.198 -0.573) 0.606 7.024 ( 3.529 -4.354 3.612) 6.668 7.122 ( -10.149 0.678 5.989) 11.804 7.283 ( -0.370 -3.644 0.614) 3.713 7.462 ( 3.387 -2.908 1.126) 4.604 7.526 ( -0.617 2.900 7.575) 8.135 7.713 ( -1.749 -2.463 -7.401) 7.994 7.862 ( -8.240 -5.197 -7.512) 12.301 8.082 ( 5.280 4.291 -4.874) 8.369 8.228 ( 11.388 -2.687 -6.887) 13.577 8.654 ( -1.025 -0.257 2.318) 2.548 8.721 ( -0.964 -1.521 2.375) 2.980 8.838 ( 0.391 -0.569 -1.402) 1.563 8.934 ( -0.911 -0.147 -6.367) 6.434 10.671 ( -1.969 0.821 -1.552) 2.638 10.729 ( 1.479 1.583 0.151) 2.172 10.816 ( -2.175 -4.212 -1.158) 4.880 10.938 ( 3.963 -5.454 2.475) 7.181 12.845 ( -3.241 3.372 0.953) 4.774 13.007 ( 1.212 0.920 -0.713) 1.680 13.163 ( -1.842 0.385 -0.481) 1.942 13.209 ( 2.131 0.217 -1.065) 2.392 14.287 ( -2.708 1.119 7.455) 8.010 14.464 ( -6.279 -3.472 7.850) 10.635 14.690 ( 2.227 2.295 -3.964) 5.093 14.852 ( 2.748 -1.249 -2.762) 4.091 16.166 ( 0.674 1.972 -0.053) 2.085 16.313 ( 7.273 -2.107 -1.569) 7.733 17.335 ( 0.177 0.755 0.844) 1.146 17.362 ( 0.810 0.067 1.634) 1.824 21.267 ( 0.088 6.158 0.458) 6.175 21.416 ( 2.485 4.474 -5.085) 7.214 21.783 ( 0.617 4.542 3.180) 5.579 21.899 ( 2.894 1.760 -0.784) 3.477 22.708 ( -0.190 1.291 0.572) 1.424 22.758 ( 1.250 1.238 0.171) 1.767 23.002 ( 1.049 -2.490 -1.407) 3.047 23.012 ( 0.832 1.756 -1.167) 2.267 23.476 ( -3.791 5.397 6.293) 9.116 23.798 ( -3.215 -3.950 -1.304) 5.257 24.367 ( -0.051 -0.242 -0.186) 0.310 24.622 ( 3.955 -5.930 -3.335) 7.870 28.240 ( 0.385 -0.466 -0.261) 0.658 28.260 ( 0.568 -0.883 -0.609) 1.214 28.353 ( -0.604 0.467 0.041) 0.765 28.378 ( -0.176 0.107 -0.290) 0.356 28.494 ( -0.893 1.760 0.272) 1.992 28.555 ( 0.870 1.612 -0.978) 2.077 28.712 ( -1.216 -3.127 1.765) 3.791 28.798 ( -0.089 -4.635 0.312) 4.647 29.715 ( -0.024 1.561 1.031) 1.871 29.791 ( 0.954 -0.213 -0.241) 1.007 29.843 ( -1.020 0.030 -0.184) 1.037 29.883 ( -0.085 -0.610 -0.885) 1.078 29.988 ( -1.454 3.360 3.152) 4.831 30.229 ( -1.277 -1.463 -2.936) 3.520 30.617 ( 0.596 10.727 -4.275) 11.563 30.961 ( 3.329 3.982 -8.149) 9.662 31.884 ( 0.170 1.702 2.174) 2.766 32.128 ( 2.770 -4.833 -3.648) 6.659 33.276 ( -7.416 -3.033 10.041) 12.846 33.413 ( -14.778 -7.698 6.573) 17.912 48.380 ( -0.133 -0.125 1.528) 1.539 48.451 ( 0.722 -1.548 1.172) 2.071 48.507 ( 0.045 0.757 0.429) 0.871 48.605 ( -0.607 -1.400 -2.657) 3.064 72.844 ( 0.193 -0.002 -0.005) 0.193 72.856 ( 0.666 -0.175 -0.184) 0.713 72.903 ( -0.295 -0.282 -0.045) 0.411 72.910 ( 0.035 -0.371 -0.030) 0.374 94.760 ( -1.169 2.554 0.952) 2.966 94.885 ( 1.267 2.822 -1.340) 3.372 95.118 ( -3.689 0.113 4.488) 5.811 95.809 ( 13.820 -18.337 -5.244) 23.553 96.559 ( -3.937 1.635 2.665) 5.027 96.756 ( -0.631 -2.553 -2.760) 3.813 96.945 ( 7.925 -2.034 3.756) 9.003 97.038 ( 2.217 -3.870 3.209) 5.494 ======================= Grid point 114 (61/100) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 8.608 11.896 16.410) 22.020 2.346 ( 3.913 22.118 0.247) 22.463 2.731 ( -0.349 21.150 -1.972) 21.245 2.866 ( 5.160 5.075 -15.347) 16.968 3.174 ( -2.387 -4.157 6.165) 7.809 3.318 ( 3.891 -0.303 -0.551) 3.941 3.410 ( 3.303 9.345 -6.296) 11.742 3.646 ( 2.306 -3.729 -7.354) 8.562 3.837 ( -2.868 -5.687 6.006) 8.754 3.880 ( -5.218 9.383 -5.550) 12.086 3.991 ( 2.009 -3.630 0.296) 4.159 4.056 ( -0.021 -0.419 3.079) 3.107 4.252 ( -8.643 1.519 -10.786) 13.905 4.419 ( 5.173 -1.146 0.695) 5.343 4.525 ( 2.735 -2.330 -1.857) 4.044 4.654 ( -0.970 -2.790 -4.665) 5.522 4.683 ( -5.416 -1.207 7.144) 9.046 4.855 ( -2.795 2.962 8.275) 9.223 5.040 ( -1.028 -3.386 -0.334) 3.554 5.074 ( -0.178 -7.298 6.074) 9.496 5.216 ( -4.928 0.528 0.356) 4.969 5.374 ( -0.550 -0.051 -3.111) 3.159 5.527 ( -0.513 -6.244 8.970) 10.941 5.676 ( -0.716 -2.888 1.091) 3.169 5.711 ( 5.903 8.042 1.962) 10.167 5.888 ( 3.417 6.094 3.829) 7.968 5.987 ( 4.717 4.477 -7.237) 9.729 6.303 ( -1.304 -2.174 -8.431) 8.803 6.503 ( -7.351 9.668 2.451) 12.391 6.636 ( 7.000 1.159 -4.802) 8.568 6.895 ( -3.578 0.763 -2.165) 4.251 7.049 ( 2.653 3.745 3.157) 5.570 7.102 ( 3.287 -6.384 -0.020) 7.181 7.220 ( -4.499 -3.842 -0.436) 5.932 7.477 ( -4.213 1.983 -0.830) 4.729 7.529 ( -2.783 3.425 1.332) 4.610 7.629 ( -2.120 -3.452 -0.823) 4.133 7.786 ( 1.356 -6.159 3.551) 7.238 8.139 ( 3.523 4.108 -2.206) 5.844 8.381 ( 8.760 -2.807 -6.745) 11.407 8.602 ( -3.864 -0.785 0.515) 3.976 8.714 ( -0.877 -1.941 1.658) 2.699 8.869 ( 4.452 -1.219 -0.995) 4.722 8.955 ( 2.472 -2.370 -0.798) 3.516 10.613 ( -2.241 0.371 -2.273) 3.213 10.723 ( -3.012 -2.003 -4.354) 5.660 10.799 ( 2.774 0.732 2.754) 3.977 11.021 ( 2.196 -5.104 2.436) 6.066 12.791 ( -2.581 3.294 0.420) 4.206 12.994 ( -1.446 -0.169 -1.979) 2.457 13.144 ( -0.123 1.657 0.558) 1.753 13.237 ( 1.571 0.261 -1.376) 2.105 14.272 ( -3.668 1.072 5.863) 6.998 14.415 ( -4.394 -2.644 7.675) 9.231 14.693 ( 1.201 2.981 -4.489) 5.521 14.882 ( 2.459 -1.255 -3.486) 4.447 16.207 ( 3.196 1.174 0.565) 3.451 16.414 ( 4.144 -5.077 -1.907) 6.825 17.360 ( 1.325 1.115 1.195) 2.104 17.390 ( 1.027 0.388 1.545) 1.895 21.271 ( -0.160 5.278 0.938) 5.363 21.427 ( 2.242 3.660 -4.878) 6.498 21.827 ( 1.251 4.898 3.774) 6.308 21.973 ( 5.004 1.308 -1.276) 5.327 22.715 ( 0.226 0.980 1.060) 1.461 22.794 ( 2.153 1.277 0.564) 2.566 23.001 ( 0.073 0.282 -1.024) 1.064 23.032 ( 1.671 0.237 -1.227) 2.087 23.445 ( -3.983 4.209 6.514) 8.719 23.729 ( -2.807 -3.526 -1.266) 4.681 24.373 ( 0.832 0.285 -0.260) 0.917 24.662 ( 2.655 -6.175 -4.010) 7.827 28.255 ( 1.411 -0.466 -0.294) 1.515 28.271 ( 0.861 -1.026 -0.228) 1.359 28.343 ( -0.470 0.192 -0.042) 0.509 28.366 ( -0.837 -0.119 -0.430) 0.949 28.487 ( -0.312 1.911 1.349) 2.360 28.568 ( 1.104 0.568 -0.971) 1.576 28.694 ( -1.667 -3.380 1.049) 3.912 28.785 ( -1.284 -6.071 -0.118) 6.206 29.723 ( 0.110 1.608 0.848) 1.821 29.816 ( 1.364 0.153 0.292) 1.403 29.826 ( -0.335 0.096 0.117) 0.367 29.878 ( -0.208 -0.975 0.007) 0.997 29.966 ( -2.604 3.628 2.038) 4.908 30.180 ( -1.062 -0.144 -3.798) 3.946 30.637 ( 2.645 9.249 0.297) 9.624 31.003 ( 5.956 3.083 -5.463) 8.650 31.922 ( 1.978 2.547 2.583) 4.132 32.185 ( 4.982 -4.665 -0.920) 6.887 33.099 ( -17.076 -1.996 3.607) 17.567 33.147 ( -15.326 -2.881 6.202) 16.782 48.386 ( -0.178 0.104 1.227) 1.244 48.460 ( -0.571 -1.429 0.924) 1.795 48.506 ( -0.243 0.820 0.001) 0.855 48.578 ( -0.113 -0.826 -2.662) 2.789 72.851 ( 0.517 0.094 -0.013) 0.525 72.866 ( 0.514 -0.128 -0.215) 0.572 72.898 ( -0.238 -0.367 -0.019) 0.438 72.909 ( -0.156 -0.478 -0.035) 0.504 94.750 ( -0.464 1.627 0.970) 1.950 94.888 ( 0.191 1.157 -0.784) 1.411 95.107 ( -0.525 2.716 3.066) 4.129 95.889 ( -0.521 -16.124 -6.279) 17.312 96.544 ( 1.332 2.966 0.521) 3.292 96.737 ( 0.700 -1.779 -2.817) 3.405 97.095 ( 1.074 -4.075 4.670) 6.290 97.176 ( 12.804 -8.552 -0.649) 15.411 ======================= Grid point 115 (62/100) ======================= q-point: (-0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -0.003 16.577 8.242) 18.512 2.328 ( -4.519 10.021 -11.594) 15.977 2.695 ( -1.921 17.636 -11.179) 20.969 2.760 ( -2.208 16.945 -8.946) 19.289 3.108 ( -2.495 8.084 -1.186) 8.543 3.314 ( -0.929 -3.138 -3.625) 4.884 3.498 ( 5.202 -2.738 1.750) 6.133 3.640 ( 2.513 -1.816 -5.920) 6.683 3.772 ( -3.081 1.982 -2.993) 4.731 3.783 ( -7.430 -6.095 5.120) 10.889 3.932 ( -12.115 -1.102 -13.569) 18.223 4.007 ( -1.494 1.997 0.127) 2.498 4.087 ( 2.962 -5.291 -1.327) 6.207 4.434 ( -9.118 -2.555 -3.904) 10.242 4.527 ( -1.821 -0.070 4.760) 5.097 4.591 ( -3.358 0.977 0.883) 3.607 4.692 ( 4.802 -0.504 0.092) 4.830 4.818 ( -7.099 2.708 9.187) 11.922 4.986 ( -5.339 -0.261 -4.651) 7.086 5.037 ( 4.788 -2.114 -4.347) 6.803 5.123 ( -2.195 0.036 -2.552) 3.366 5.413 ( 1.782 2.300 2.397) 3.770 5.577 ( 1.138 1.371 -2.616) 3.165 5.748 ( 3.468 -4.062 11.391) 12.581 5.914 ( 8.896 1.073 9.385) 12.975 5.975 ( 0.955 0.840 -5.934) 6.068 6.075 ( 5.871 7.967 9.905) 14.002 6.284 ( 6.429 1.041 -2.597) 7.012 6.429 ( -2.415 5.690 1.005) 6.262 6.752 ( 6.767 2.158 -1.223) 7.207 6.809 ( -1.284 -1.902 -3.617) 4.284 7.050 ( -6.058 0.255 -1.007) 6.146 7.155 ( 3.973 3.726 0.416) 5.463 7.246 ( 6.237 -5.937 -0.349) 8.618 7.361 ( -4.560 2.381 -6.019) 7.918 7.463 ( -3.537 0.160 -0.014) 3.541 7.633 ( -1.716 0.284 8.360) 8.539 7.829 ( -1.115 -5.304 5.231) 7.533 8.181 ( 2.239 3.482 -2.713) 4.949 8.431 ( 2.085 -2.780 -8.644) 9.316 8.555 ( -1.081 0.481 0.447) 1.265 8.737 ( 3.263 -3.465 -0.658) 4.804 8.960 ( -1.118 -3.048 2.611) 4.166 8.978 ( 5.046 -5.770 0.243) 7.669 10.565 ( -1.014 -0.053 -1.785) 2.053 10.642 ( -1.894 -2.344 -4.190) 5.162 10.886 ( 3.531 1.902 3.604) 5.392 11.051 ( -0.430 -3.053 1.488) 3.423 12.761 ( -0.852 3.036 0.442) 3.184 12.945 ( -1.389 -0.592 -3.214) 3.551 13.155 ( 0.284 2.059 1.370) 2.489 13.248 ( 0.790 0.234 -1.920) 2.089 14.241 ( -3.485 1.577 5.522) 6.717 14.400 ( -2.682 -2.647 7.112) 8.049 14.677 ( 0.453 3.760 -4.577) 5.941 14.891 ( 1.367 -1.409 -4.462) 4.875 16.274 ( 2.423 -0.217 1.615) 2.920 16.443 ( 0.856 -6.472 -2.285) 6.917 17.382 ( -0.449 1.632 2.146) 2.733 17.425 ( 1.599 0.361 0.741) 1.799 21.271 ( -0.665 4.608 1.096) 4.783 21.431 ( 1.612 2.768 -4.440) 5.475 21.868 ( -0.090 5.080 3.751) 6.315 22.054 ( 4.297 0.334 -1.543) 4.578 22.729 ( 0.223 0.641 1.604) 1.742 22.836 ( 1.520 0.644 0.612) 1.760 22.991 ( -0.503 2.665 -0.727) 2.808 23.054 ( 1.442 -0.135 -1.267) 1.924 23.421 ( -2.992 3.489 6.118) 7.653 23.686 ( -0.524 -3.183 -1.250) 3.460 24.391 ( 0.961 0.229 0.227) 1.014 24.661 ( 0.533 -5.767 -5.019) 7.663 28.283 ( 1.222 -0.656 -0.278) 1.415 28.289 ( 1.130 -0.848 0.112) 1.417 28.334 ( -0.343 0.120 -0.368) 0.517 28.345 ( -0.745 -0.142 -0.514) 0.917 28.502 ( 0.459 0.893 2.473) 2.669 28.584 ( 1.267 -0.700 -0.732) 1.622 28.668 ( -1.485 -3.110 0.309) 3.460 28.752 ( -1.770 -6.619 -0.584) 6.876 29.732 ( 0.306 2.191 0.975) 2.417 29.820 ( 0.182 0.203 -0.269) 0.383 29.851 ( 0.554 0.590 2.099) 2.249 29.877 ( 0.260 -0.852 0.055) 0.893 29.926 ( -2.366 2.995 0.737) 3.888 30.146 ( 0.524 0.947 -4.080) 4.221 30.707 ( 3.732 8.854 1.536) 9.730 31.102 ( 8.033 2.510 -5.034) 9.807 31.998 ( 3.229 3.618 6.172) 7.849 32.296 ( 5.526 -4.786 2.618) 7.765 32.779 ( -17.471 1.270 2.297) 17.667 32.896 ( -12.875 -2.472 -0.263) 13.112 48.390 ( -0.363 0.051 1.181) 1.236 48.441 ( -2.120 -1.163 1.253) 2.724 48.502 ( 0.162 1.306 -0.980) 1.640 48.570 ( 1.067 -0.600 -2.320) 2.623 72.860 ( 0.361 0.311 0.028) 0.477 72.870 ( 0.174 -0.077 -0.227) 0.296 72.897 ( 0.141 -0.469 0.013) 0.490 72.904 ( -0.253 -0.649 -0.061) 0.699 94.756 ( 0.221 1.359 1.414) 1.974 94.886 ( 0.027 1.081 -0.814) 1.354 95.133 ( 0.622 1.684 4.080) 4.457 95.765 ( -6.311 -11.361 -7.150) 14.833 96.589 ( 2.521 2.248 -0.163) 3.381 96.736 ( 1.152 -1.148 -3.025) 3.435 97.125 ( -1.624 -3.738 5.382) 6.751 97.373 ( 8.613 -14.121 -3.662) 16.941 ======================= Grid point 116 (63/100) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -22.138 10.178 -17.495) 29.996 2.158 ( -7.879 20.625 5.751) 22.816 2.490 ( -1.744 7.889 -16.342) 18.230 2.800 ( 1.692 28.301 4.423) 28.695 3.124 ( -1.284 -2.379 -0.229) 2.713 3.243 ( -2.122 -1.204 -1.827) 3.048 3.541 ( -5.652 -10.274 -1.968) 11.890 3.565 ( -2.145 -9.211 -7.300) 11.947 3.674 ( 0.895 0.831 -0.810) 1.465 3.738 ( 1.625 1.979 -1.147) 2.806 3.763 ( -4.730 5.321 4.734) 8.550 3.946 ( -4.696 4.424 -0.916) 6.516 4.139 ( 3.124 -4.393 -1.455) 5.584 4.222 ( -8.839 -2.591 0.273) 9.215 4.418 ( -8.277 1.807 5.918) 10.334 4.551 ( -6.313 2.423 -0.505) 6.781 4.731 ( -3.103 -0.569 7.001) 7.679 4.813 ( 3.607 2.952 0.581) 4.697 4.909 ( 0.100 3.798 -5.662) 6.818 5.031 ( -3.297 1.140 -0.535) 3.530 5.199 ( 10.262 -1.355 -2.520) 10.653 5.417 ( -1.666 2.476 -0.500) 3.026 5.588 ( 3.712 3.014 -4.627) 6.653 5.811 ( -0.574 -5.371 -1.161) 5.525 5.976 ( 2.909 3.664 1.550) 4.929 6.140 ( 6.794 -1.018 5.808) 8.996 6.261 ( 3.029 2.999 11.582) 12.341 6.388 ( 4.043 2.807 -2.558) 5.547 6.467 ( 6.112 1.818 2.861) 6.989 6.771 ( 1.186 -2.305 -3.065) 4.014 6.895 ( 5.272 0.620 -0.767) 5.364 6.937 ( -2.117 3.450 -2.792) 4.917 7.205 ( -4.501 0.848 -2.320) 5.135 7.225 ( 0.124 3.296 -1.558) 3.647 7.330 ( 2.364 -5.856 -0.203) 6.318 7.413 ( -2.529 -0.452 -0.189) 2.576 7.679 ( 0.885 2.911 7.620) 8.205 7.832 ( -1.274 -4.116 4.614) 6.313 8.166 ( -0.874 2.024 -5.441) 5.870 8.380 ( 0.069 -3.241 -9.571) 10.105 8.562 ( 0.913 2.266 0.675) 2.535 8.793 ( 3.006 -2.086 -5.616) 6.703 8.914 ( -3.959 -6.340 5.200) 9.106 9.100 ( 5.767 -7.984 2.368) 10.130 10.558 ( 1.237 -0.243 -1.030) 1.628 10.601 ( 0.159 -1.602 -2.911) 3.326 10.964 ( 1.686 1.038 3.394) 3.929 11.027 ( -2.515 -1.101 0.037) 2.745 12.766 ( 0.860 2.748 0.921) 3.023 12.906 ( -0.020 -0.479 -3.786) 3.816 13.171 ( 0.295 1.827 1.639) 2.472 13.242 ( 0.118 0.244 -2.169) 2.186 14.223 ( -2.719 2.160 6.243) 7.144 14.412 ( -1.267 -2.659 7.102) 7.688 14.652 ( 0.230 3.980 -4.010) 5.655 14.874 ( 0.389 -1.597 -4.889) 5.158 16.295 ( -1.945 -1.134 1.875) 2.930 16.433 ( 0.141 -6.741 -2.726) 7.273 17.374 ( -1.719 2.044 1.959) 3.312 17.448 ( 0.025 -0.034 0.727) 0.728 21.261 ( -1.165 4.706 1.073) 4.966 21.426 ( 0.998 2.593 -4.083) 4.939 21.867 ( -2.573 5.014 3.261) 6.511 22.102 ( 1.754 -1.082 -2.021) 2.886 22.742 ( -0.236 0.641 1.791) 1.917 22.850 ( -0.424 -0.424 0.117) 0.611 22.973 ( -0.789 3.324 -0.582) 3.466 23.066 ( 0.761 0.184 -1.542) 1.729 23.423 ( -1.020 3.894 5.588) 6.886 23.701 ( 2.819 -2.999 -0.665) 4.169 24.408 ( 0.350 -0.370 0.955) 1.082 24.619 ( -0.761 -4.964 -5.501) 7.448 28.289 ( -0.578 -0.530 -0.216) 0.813 28.294 ( -0.547 -0.592 -0.078) 0.810 28.334 ( 0.642 -0.013 -0.405) 0.759 28.345 ( 1.151 0.064 -0.530) 1.269 28.528 ( 0.201 -0.998 2.335) 2.547 28.608 ( 1.373 -1.815 0.550) 2.342 28.645 ( -0.761 -2.463 -0.812) 2.703 28.721 ( -0.769 -5.012 -0.534) 5.099 29.749 ( 0.453 3.117 1.474) 3.477 29.814 ( -0.930 0.875 -0.129) 1.284 29.859 ( -0.463 0.720 1.624) 1.836 29.891 ( -0.278 -0.202 -0.410) 0.535 29.900 ( 0.303 0.846 0.622) 1.093 30.149 ( 2.693 1.327 -3.668) 4.740 30.781 ( 3.378 9.386 -0.973) 10.023 31.207 ( 7.423 2.510 -10.129) 12.806 32.149 ( 5.041 2.387 14.199) 15.255 32.343 ( -7.317 -3.216 4.064) 8.967 32.535 ( -6.492 2.617 1.307) 7.120 32.745 ( 0.794 -2.513 -0.356) 2.660 48.387 ( -0.853 -0.237 1.348) 1.613 48.404 ( -2.449 -0.506 1.219) 2.782 48.499 ( 0.339 1.601 -1.205) 2.032 48.586 ( 2.051 -0.898 -1.894) 2.932 72.858 ( -0.444 0.239 0.025) 0.505 72.876 ( 0.348 -0.085 -0.284) 0.457 72.897 ( -0.176 -0.560 0.013) 0.587 72.904 ( 0.298 -0.550 -0.063) 0.629 94.774 ( 0.218 1.872 1.848) 2.639 94.872 ( -0.585 1.906 -1.736) 2.644 95.187 ( 0.708 -1.344 7.131) 7.291 95.581 ( -6.967 -8.480 -8.522) 13.896 96.623 ( 1.004 1.681 0.031) 1.958 96.733 ( 0.874 -0.723 -3.579) 3.755 97.108 ( -4.074 -3.490 5.203) 7.473 97.432 ( 0.252 -17.154 -3.976) 17.611 ======================= Grid point 117 (64/100) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -20.465 17.424 -3.572) 27.114 2.026 ( -11.492 18.646 11.733) 24.848 2.462 ( 5.490 6.442 -2.290) 8.768 2.821 ( -3.734 29.889 5.371) 30.597 2.924 ( -11.738 -19.207 -2.758) 22.678 3.303 ( 3.686 7.919 2.962) 9.224 3.412 ( -5.398 -8.897 0.710) 10.431 3.550 ( -0.224 -2.938 4.752) 5.591 3.710 ( -2.255 2.072 -5.718) 6.486 3.713 ( 2.374 0.801 1.902) 3.146 3.790 ( 2.980 10.484 -1.379) 10.987 3.901 ( 3.573 -4.373 2.920) 6.357 4.119 ( -3.560 -1.051 0.843) 3.807 4.197 ( 3.053 -1.444 0.073) 3.378 4.339 ( -8.142 0.145 1.244) 8.238 4.350 ( -7.246 3.425 2.515) 8.400 4.757 ( 0.343 2.124 6.389) 6.742 4.860 ( 0.492 -2.960 -0.463) 3.036 4.915 ( 3.630 4.373 -1.944) 6.006 4.991 ( -0.816 3.802 -0.636) 3.940 5.298 ( -0.523 2.383 2.137) 3.243 5.399 ( 0.344 3.254 0.216) 3.280 5.662 ( 7.369 0.389 -6.306) 9.706 5.789 ( 1.051 -4.808 -5.035) 7.041 6.026 ( 1.564 0.852 -1.619) 2.407 6.220 ( 0.953 -3.425 -2.316) 4.243 6.289 ( -1.932 3.434 -0.918) 4.046 6.500 ( 2.618 -0.053 7.732) 8.163 6.551 ( 0.518 2.519 2.550) 3.621 6.784 ( 0.606 -1.469 -3.454) 3.802 6.832 ( -1.899 1.752 -6.601) 7.088 7.029 ( 4.145 3.171 0.409) 5.235 7.106 ( 1.331 1.174 -0.400) 1.820 7.272 ( 2.420 1.626 -1.839) 3.447 7.299 ( -4.338 -2.570 -0.443) 5.062 7.403 ( 1.899 -2.496 1.964) 3.700 7.740 ( 1.379 2.289 2.641) 3.757 7.866 ( 1.290 -2.369 4.027) 4.847 8.102 ( -1.027 -0.845 -4.713) 4.897 8.298 ( -2.615 -6.677 -8.292) 10.963 8.581 ( 0.408 2.572 0.320) 2.624 8.744 ( -3.026 -1.982 -2.075) 4.170 8.920 ( 1.053 -2.131 -0.626) 2.458 9.227 ( 5.674 -9.300 1.720) 11.029 10.586 ( 2.242 -0.077 -1.435) 2.663 10.603 ( 1.867 -0.814 -2.173) 2.978 10.949 ( -3.998 0.264 -0.937) 4.115 10.998 ( -1.295 -1.128 2.032) 2.660 12.804 ( 2.073 2.454 1.929) 3.747 12.895 ( 1.531 -0.137 -3.314) 3.653 13.190 ( 0.543 1.334 1.465) 2.054 13.223 ( -0.543 0.405 -2.256) 2.355 14.225 ( -2.027 2.393 7.446) 8.079 14.453 ( 0.083 -3.128 8.027) 8.615 14.635 ( 0.719 3.608 -3.173) 4.858 14.845 ( 0.186 -1.720 -4.536) 4.855 16.234 ( -4.729 -0.847 0.575) 4.838 16.400 ( -2.245 -5.361 -2.258) 6.235 17.351 ( -1.757 1.866 1.433) 2.936 17.432 ( -2.127 -0.198 0.837) 2.295 21.248 ( -0.771 5.502 0.901) 5.629 21.414 ( 0.810 3.130 -4.045) 5.178 21.824 ( -3.864 4.785 2.776) 6.748 22.083 ( -2.101 -1.800 -2.714) 3.876 22.742 ( -0.984 1.207 1.640) 2.262 22.823 ( -2.127 -0.731 -0.391) 2.283 22.959 ( -0.038 2.360 -0.782) 2.486 23.059 ( -0.146 -0.127 -1.847) 1.857 23.456 ( 0.377 4.943 4.724) 6.848 23.775 ( 4.750 -3.578 -0.150) 5.949 24.414 ( -0.726 -1.225 1.511) 2.077 24.569 ( -0.289 -4.433 -5.104) 6.766 28.268 ( -0.907 -0.362 -0.672) 1.185 28.281 ( -0.677 -0.522 -0.163) 0.870 28.349 ( 0.977 0.271 -0.118) 1.021 28.362 ( 0.798 -0.055 -0.464) 0.925 28.534 ( -0.606 -1.871 0.586) 2.052 28.610 ( -1.684 -2.466 0.108) 2.988 28.656 ( 2.017 -1.381 0.566) 2.510 28.724 ( 1.096 -2.487 0.191) 2.725 29.753 ( -1.510 4.411 1.384) 4.864 29.798 ( -0.310 -0.134 0.272) 0.433 29.865 ( 0.223 0.128 -0.177) 0.312 29.880 ( 0.120 0.405 0.192) 0.464 29.919 ( 0.748 0.250 0.662) 1.030 30.190 ( 3.678 0.377 -2.710) 4.584 30.808 ( 2.015 10.668 -6.437) 12.622 31.208 ( 2.142 4.206 -15.942) 16.626 32.137 ( -11.156 -0.212 2.050) 11.344 32.252 ( -3.281 -4.703 0.430) 5.751 32.676 ( 14.248 2.240 19.336) 24.123 32.912 ( 11.212 -3.002 8.034) 14.116 48.368 ( -1.944 -0.016 2.063) 2.835 48.384 ( -0.748 -0.523 1.252) 1.549 48.498 ( 0.389 1.843 -1.052) 2.158 48.614 ( 2.078 -1.463 -1.701) 3.058 72.849 ( -0.465 0.071 0.002) 0.471 72.872 ( -0.484 -0.310 -0.352) 0.674 72.898 ( 0.288 -0.353 -0.033) 0.457 72.909 ( 0.190 -0.389 -0.038) 0.434 94.784 ( -0.543 2.776 1.730) 3.316 94.849 ( -0.137 2.051 -1.951) 2.834 95.240 ( -1.653 -3.402 9.392) 10.124 95.400 ( -5.602 -6.321 -7.305) 11.167 96.627 ( -0.472 1.318 0.255) 1.423 96.727 ( 1.483 -0.885 -3.863) 4.231 97.047 ( -5.631 -3.366 4.349) 7.871 97.333 ( -8.120 -16.297 -1.689) 18.286 ======================= Grid point 118 (65/100) ======================= q-point: (-0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -4.318 19.233 19.536) 27.752 1.931 ( -8.546 19.280 19.361) 28.629 2.600 ( 2.914 -6.275 2.246) 7.274 2.731 ( -2.342 10.831 11.441) 15.928 2.811 ( -2.769 9.403 2.284) 10.065 3.308 ( -6.175 -2.794 2.197) 7.125 3.392 ( 3.078 8.544 1.592) 9.220 3.588 ( -1.377 4.220 -4.512) 6.329 3.640 ( 0.264 -0.134 12.999) 13.002 3.808 ( 3.515 1.684 -4.720) 6.122 3.868 ( 7.483 -1.557 0.982) 7.706 4.001 ( 1.445 -1.036 -1.756) 2.499 4.121 ( 6.554 -1.274 0.253) 6.681 4.149 ( -4.208 7.366 7.542) 11.351 4.313 ( 5.496 -1.452 -0.175) 5.688 4.344 ( -0.275 -5.608 4.851) 7.420 4.798 ( -1.653 2.837 6.669) 7.434 4.847 ( -0.843 -4.891 -0.941) 5.051 4.961 ( -0.568 5.893 -0.158) 5.923 4.996 ( 2.757 0.862 1.386) 3.204 5.267 ( -2.617 9.396 -0.743) 9.782 5.395 ( -3.159 -0.863 6.438) 7.223 5.718 ( 1.557 -3.318 -4.308) 5.656 5.780 ( 2.572 -3.142 -8.384) 9.316 6.001 ( -1.333 -2.867 -7.175) 7.841 6.189 ( -2.765 4.535 -12.673) 13.742 6.201 ( -0.554 -1.756 -2.469) 3.080 6.467 ( -3.778 2.247 -3.170) 5.420 6.658 ( 1.537 2.367 9.684) 10.087 6.682 ( -6.627 1.417 3.354) 7.562 6.788 ( 2.743 -2.883 -9.825) 10.600 7.108 ( 1.910 -0.038 1.922) 2.710 7.156 ( -0.697 0.007 -6.258) 6.296 7.213 ( 1.350 0.128 5.112) 5.289 7.351 ( 4.466 1.998 -1.060) 5.006 7.459 ( 1.387 -0.963 3.277) 3.686 7.810 ( 6.429 0.425 -0.086) 6.444 7.880 ( -0.133 -0.715 -4.472) 4.531 8.086 ( 1.054 -3.827 -2.231) 4.553 8.171 ( -5.099 -10.469 -4.722) 12.566 8.586 ( 0.208 1.595 0.717) 1.761 8.704 ( -0.762 -1.456 1.078) 1.966 8.907 ( -0.957 1.957 -3.447) 4.078 9.280 ( -0.420 -7.890 -6.150) 10.012 10.630 ( 3.679 -0.469 0.534) 3.747 10.634 ( 2.546 -0.202 -1.748) 3.095 10.858 ( -4.118 0.687 -2.270) 4.752 10.969 ( -2.854 -2.771 1.705) 4.328 12.859 ( 1.615 2.406 2.553) 3.862 12.920 ( 2.898 0.437 -1.756) 3.417 13.193 ( -0.456 0.420 -2.382) 2.461 13.208 ( 0.141 0.671 0.834) 1.080 14.246 ( -1.671 2.114 8.462) 8.881 14.513 ( -0.707 -4.837 9.043) 10.279 14.638 ( 1.996 3.071 -3.168) 4.843 14.824 ( 0.805 -1.690 -3.719) 4.164 16.156 ( -2.725 1.210 0.055) 2.982 16.315 ( -4.828 -2.135 -1.687) 5.542 17.335 ( -0.756 1.096 1.160) 1.766 17.387 ( -2.948 0.022 0.945) 3.096 21.248 ( 0.286 6.333 0.446) 6.355 21.405 ( 1.383 3.843 -4.407) 6.009 21.775 ( -2.853 4.472 2.556) 5.889 21.994 ( -4.851 -0.542 -2.392) 5.436 22.730 ( -1.279 1.726 1.174) 2.448 22.777 ( -2.029 -0.140 -0.510) 2.097 22.963 ( 1.015 1.134 -0.911) 1.774 23.039 ( -0.449 -0.804 -1.948) 2.154 23.490 ( -0.404 5.810 4.361) 7.276 23.849 ( 2.775 -4.534 -0.963) 5.402 24.401 ( -1.630 -1.654 1.388) 2.705 24.548 ( 1.609 -4.614 -4.188) 6.436 28.251 ( -0.408 -0.365 -0.739) 0.919 28.269 ( -0.413 -0.757 -0.506) 1.000 28.365 ( 0.642 0.690 0.103) 0.948 28.368 ( 0.288 -0.145 -0.399) 0.513 28.521 ( -0.644 -0.346 -0.354) 0.812 28.577 ( -1.343 -0.270 -0.680) 1.529 28.694 ( 0.841 -1.870 2.119) 2.949 28.754 ( 1.659 -2.236 0.424) 2.816 29.728 ( -1.607 3.373 1.014) 3.872 29.793 ( -0.481 -0.688 -0.097) 0.845 29.863 ( 0.220 0.295 -0.902) 0.974 29.895 ( 0.594 -0.069 0.048) 0.600 29.941 ( 0.839 1.625 2.040) 2.740 30.237 ( 2.662 -1.316 -1.873) 3.510 30.766 ( 0.263 12.175 -11.653) 16.855 31.097 ( -1.485 5.707 -14.508) 15.660 31.974 ( -7.270 0.444 2.158) 7.597 32.177 ( -1.638 -5.316 -5.374) 7.734 33.064 ( 9.332 -2.857 15.160) 18.030 33.263 ( 15.300 -8.591 16.183) 23.870 48.361 ( -0.590 -0.123 2.444) 2.517 48.387 ( 0.106 -0.844 2.112) 2.277 48.499 ( 0.374 1.924 -0.835) 2.130 48.634 ( 1.171 -1.881 -1.875) 2.902 72.843 ( -0.195 0.023 0.003) 0.196 72.858 ( -0.662 -0.199 -0.249) 0.735 72.904 ( 0.309 -0.278 -0.055) 0.419 72.910 ( -0.008 -0.326 -0.030) 0.327 94.781 ( -0.738 3.442 1.470) 3.815 94.845 ( 0.912 2.349 -1.616) 2.993 95.240 ( -5.256 -3.808 9.160) 11.227 95.323 ( 2.692 -5.639 -1.855) 6.518 96.618 ( -0.751 1.091 0.953) 1.632 96.741 ( 2.481 -1.496 -3.187) 4.307 96.966 ( -5.701 -3.705 4.151) 7.967 97.139 ( -10.897 -10.264 1.337) 15.029 ======================= Grid point 119 (66/100) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 3.441 19.118 15.613) 24.921 2.214 ( 1.631 -18.157 6.690) 19.419 2.472 ( 5.909 17.641 19.615) 27.034 2.796 ( 6.420 -9.410 8.850) 14.425 3.113 ( -3.644 0.721 8.375) 9.162 3.207 ( 1.215 -6.906 11.794) 13.721 3.528 ( 0.335 8.001 -1.213) 8.100 3.663 ( 2.863 -1.857 -10.483) 11.024 3.821 ( 1.998 17.258 -1.355) 17.426 3.923 ( 6.488 1.084 -0.444) 6.593 3.975 ( 2.559 0.713 4.765) 5.455 4.189 ( 2.499 6.993 6.358) 9.776 4.224 ( 5.746 -10.955 0.433) 12.378 4.294 ( 0.758 -1.935 5.672) 6.041 4.377 ( 0.366 16.956 -3.231) 17.265 4.468 ( 6.709 5.205 2.565) 8.870 4.666 ( 2.529 -10.875 0.992) 11.210 4.761 ( 0.332 -13.361 -1.702) 13.473 5.013 ( -3.490 9.450 5.909) 11.679 5.117 ( -2.982 7.625 4.596) 9.389 5.243 ( -4.028 -5.156 0.848) 6.597 5.394 ( -0.911 3.007 3.759) 4.900 5.460 ( -6.406 -11.329 -4.104) 13.647 5.562 ( -5.247 -7.188 -4.536) 9.988 6.019 ( 1.617 7.153 -6.376) 9.718 6.151 ( 1.706 -4.084 -6.738) 8.061 6.183 ( -3.575 8.814 -10.600) 14.242 6.341 ( -2.155 -5.078 -10.775) 12.105 6.612 ( -2.666 2.700 6.346) 7.394 6.720 ( -3.134 -6.291 8.838) 11.292 6.893 ( 1.233 13.211 -6.032) 14.575 7.059 ( 0.940 0.238 -0.649) 1.167 7.168 ( 0.717 -0.114 -1.842) 1.980 7.265 ( -6.387 -2.128 2.006) 7.025 7.373 ( 2.839 -2.525 0.531) 3.836 7.409 ( 0.998 -6.904 -1.396) 7.114 7.793 ( -3.596 1.864 -3.737) 5.511 7.858 ( -1.174 -3.605 -3.490) 5.153 8.028 ( 10.512 2.074 -3.972) 11.428 8.079 ( 7.389 -2.305 -4.185) 8.799 8.625 ( -0.244 1.081 3.565) 3.733 8.666 ( -0.930 -2.382 3.531) 4.360 8.927 ( -2.852 4.172 -5.171) 7.230 9.027 ( -4.577 -4.890 -8.653) 10.943 10.680 ( 2.803 0.564 -0.083) 2.861 10.697 ( 3.502 -1.168 1.742) 4.082 10.804 ( -2.584 1.807 -1.975) 3.721 10.854 ( -2.706 -2.852 -0.832) 4.019 12.940 ( 0.313 2.431 1.282) 2.766 12.976 ( 2.249 -0.670 0.400) 2.381 13.185 ( 0.102 0.018 -1.038) 1.043 13.190 ( -1.078 -0.583 -0.434) 1.300 14.332 ( -2.703 3.613 8.509) 9.631 14.419 ( -3.859 -4.452 8.745) 10.544 14.724 ( 2.691 2.947 -3.875) 5.563 14.784 ( 2.388 -2.468 -3.662) 5.020 16.195 ( 0.715 1.615 0.512) 1.838 16.225 ( -0.191 -1.045 -0.457) 1.156 17.346 ( -0.538 0.298 1.201) 1.349 17.350 ( -1.204 -0.018 1.006) 1.569 21.383 ( 0.712 4.549 -0.485) 4.630 21.442 ( 1.312 -0.775 -2.122) 2.612 21.855 ( -0.281 3.898 0.655) 3.963 21.909 ( -1.295 -1.018 -0.452) 1.708 22.748 ( -1.173 1.772 1.268) 2.475 22.773 ( -0.610 0.167 1.415) 1.550 22.970 ( 0.803 0.270 -2.896) 3.017 22.999 ( 1.093 -1.591 -2.543) 3.193 23.627 ( -2.330 6.017 4.523) 7.880 23.749 ( -2.174 -5.336 2.764) 6.391 24.385 ( 0.831 1.924 -2.368) 3.162 24.459 ( 2.465 -4.767 -3.496) 6.405 28.237 ( -0.093 0.082 -0.613) 0.626 28.244 ( -0.023 -0.576 -0.760) 0.954 28.372 ( -0.188 0.422 0.191) 0.500 28.380 ( 0.050 -0.167 0.160) 0.237 28.539 ( 0.024 1.710 0.700) 1.848 28.569 ( 0.281 -0.558 0.858) 1.061 28.683 ( -0.212 0.242 -0.576) 0.660 28.720 ( 0.359 -2.704 -0.842) 2.855 29.748 ( -0.803 1.080 0.604) 1.476 29.768 ( -0.309 -0.850 0.292) 0.951 29.871 ( -0.365 0.665 -0.798) 1.101 29.883 ( -0.119 -0.461 -1.166) 1.260 30.055 ( -0.391 4.624 4.845) 6.709 30.163 ( -1.169 -5.179 3.794) 6.525 30.923 ( 1.079 9.180 -16.722) 19.107 31.038 ( 0.918 -1.433 -15.335) 15.429 31.933 ( -1.788 2.806 0.801) 3.423 32.016 ( -0.417 -4.886 -2.052) 5.316 33.233 ( 0.625 1.026 12.722) 12.779 33.311 ( 0.145 -6.455 12.045) 13.667 48.372 ( -0.097 0.460 2.339) 2.385 48.389 ( 0.359 -1.127 2.585) 2.842 48.541 ( 0.326 2.043 -1.411) 2.504 48.586 ( 0.205 -2.149 -1.985) 2.932 72.843 ( 0.012 0.082 0.004) 0.083 72.846 ( -0.001 -0.142 -0.084) 0.165 72.903 ( -0.071 -0.135 -0.061) 0.164 72.903 ( 0.096 -0.131 -0.058) 0.173 94.855 ( -1.586 3.696 1.769) 4.394 94.905 ( 0.355 -0.093 0.587) 0.692 95.162 ( -0.570 2.289 3.139) 3.927 95.287 ( 7.491 -8.676 0.690) 11.483 96.642 ( -1.261 2.545 0.753) 2.939 96.707 ( 0.134 -3.279 -0.955) 3.417 96.876 ( -1.679 1.227 3.559) 4.122 96.928 ( -1.168 -3.349 1.806) 3.980 ======================= Grid point 120 (67/100) ======================= q-point: ( 0.14 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 9.326 15.991 12.301) 22.227 2.355 ( 8.550 -12.735 3.597) 15.755 2.741 ( 7.589 12.377 14.267) 20.355 2.959 ( 5.631 -4.657 2.855) 7.845 3.119 ( -1.357 2.761 6.312) 7.021 3.291 ( 0.394 -4.770 5.896) 7.595 3.562 ( 4.717 1.727 -2.900) 5.800 3.635 ( 2.765 -1.169 -10.609) 11.025 3.845 ( 1.043 21.149 0.577) 21.182 3.986 ( -0.272 3.206 -3.343) 4.640 4.013 ( 0.497 -0.828 2.869) 3.027 4.277 ( 3.390 -6.028 0.427) 6.929 4.302 ( 1.218 6.742 1.262) 6.966 4.360 ( 1.460 3.710 -3.794) 5.503 4.373 ( 3.446 -3.036 1.626) 4.871 4.572 ( -0.843 -2.196 0.121) 2.355 4.737 ( -0.333 -0.959 7.485) 7.553 4.798 ( 3.911 -10.469 2.516) 11.456 4.980 ( -1.506 6.045 -2.371) 6.666 5.062 ( -7.123 4.834 9.312) 12.682 5.193 ( -0.313 -3.286 0.205) 3.308 5.290 ( -3.387 -5.306 -0.439) 6.310 5.434 ( -1.066 -4.165 3.126) 5.315 5.482 ( -2.994 -5.755 5.585) 8.560 5.991 ( -0.707 6.554 -5.106) 8.338 6.039 ( -2.736 7.733 -9.392) 12.470 6.111 ( 0.034 2.839 -6.724) 7.299 6.267 ( 0.704 -6.795 -9.113) 11.389 6.613 ( 1.207 3.091 -0.175) 3.323 6.735 ( 1.225 -7.758 3.843) 8.744 6.866 ( -3.143 13.001 -2.677) 13.641 7.080 ( 0.369 4.411 1.516) 4.679 7.101 ( -9.485 -4.476 1.209) 10.557 7.176 ( 1.679 -6.108 -0.183) 6.337 7.417 ( 3.334 -0.703 -0.060) 3.408 7.475 ( 3.631 -6.295 0.829) 7.315 7.699 ( -4.277 2.659 -1.726) 5.323 7.766 ( -5.885 -3.089 -1.889) 6.910 8.177 ( 7.357 3.316 -6.068) 10.097 8.210 ( 10.196 -0.187 -7.055) 12.400 8.645 ( -1.398 -0.052 3.024) 3.332 8.671 ( -1.296 -2.434 3.257) 4.268 8.851 ( -0.991 1.827 -3.066) 3.705 8.902 ( -1.220 -2.469 -5.835) 6.452 10.697 ( -2.113 1.587 -1.225) 2.913 10.738 ( -1.027 -2.017 0.577) 2.336 10.779 ( 1.440 1.829 -1.126) 2.586 10.839 ( 2.861 -3.720 1.229) 4.851 12.923 ( -2.432 3.809 0.266) 4.528 12.994 ( -0.717 -2.331 -0.231) 2.450 13.174 ( 0.104 1.006 -0.255) 1.043 13.200 ( 1.602 -1.050 -0.393) 1.955 14.329 ( -3.473 2.595 7.448) 8.618 14.392 ( -4.753 -3.221 7.744) 9.641 14.750 ( 2.731 3.058 -4.042) 5.758 14.811 ( 2.965 -2.500 -3.555) 5.261 16.211 ( 1.192 2.250 0.126) 2.549 16.262 ( 3.282 -2.471 -0.192) 4.113 17.350 ( 0.510 0.602 1.212) 1.446 17.360 ( 0.773 -0.284 1.478) 1.692 21.386 ( -0.144 4.535 -0.259) 4.545 21.448 ( 0.796 -1.049 -2.084) 2.465 21.878 ( 2.103 3.560 0.582) 4.176 21.919 ( 2.655 -0.268 -0.551) 2.725 22.743 ( -0.357 2.078 1.368) 2.513 22.779 ( 0.283 -0.426 1.440) 1.528 22.975 ( 1.733 0.747 -2.525) 3.152 23.013 ( 2.059 -1.598 -2.345) 3.506 23.595 ( -4.251 5.491 4.841) 8.465 23.705 ( -4.155 -4.760 2.716) 6.877 24.394 ( 1.786 2.988 -2.533) 4.305 24.491 ( 3.191 -5.813 -3.367) 7.437 28.236 ( 0.461 0.091 -0.402) 0.618 28.244 ( 0.480 -0.579 -0.595) 0.959 28.365 ( -0.718 0.570 0.175) 0.933 28.376 ( -0.573 -0.376 0.018) 0.685 28.540 ( -0.402 2.467 0.803) 2.625 28.580 ( 0.309 -0.254 0.353) 0.534 28.663 ( -1.436 -0.338 -0.346) 1.515 28.708 ( -0.963 -3.593 -0.916) 3.831 29.747 ( 0.171 1.419 0.785) 1.630 29.775 ( 0.774 -1.117 0.533) 1.460 29.851 ( -1.077 0.692 -0.558) 1.396 29.869 ( -0.649 -0.827 -0.809) 1.326 30.068 ( -1.661 4.003 4.188) 6.027 30.155 ( -2.096 -4.108 3.092) 5.553 30.853 ( 2.496 9.416 -11.727) 15.245 30.983 ( 3.248 -2.409 -11.511) 12.201 31.936 ( 1.251 3.211 0.988) 3.585 32.022 ( 2.143 -4.748 -1.098) 5.324 33.240 ( -7.879 0.002 9.263) 12.161 33.284 ( -9.845 -4.152 8.369) 13.572 48.387 ( -0.006 0.808 2.076) 2.228 48.413 ( 0.248 -1.609 2.275) 2.798 48.536 ( 0.217 1.638 -1.412) 2.173 48.572 ( -0.091 -1.676 -2.185) 2.755 72.846 ( 0.302 0.182 -0.014) 0.353 72.851 ( 0.496 -0.271 -0.068) 0.569 72.900 ( -0.229 -0.005 -0.064) 0.238 72.903 ( -0.079 -0.271 -0.052) 0.287 94.825 ( -2.301 3.405 1.271) 4.302 94.891 ( -2.076 -2.194 1.021) 3.189 95.206 ( 3.058 8.361 0.835) 8.942 95.453 ( 8.452 -14.431 -1.245) 16.770 96.616 ( -1.365 3.345 0.553) 3.655 96.691 ( -0.564 -3.453 -1.085) 3.663 96.927 ( 4.189 0.448 2.986) 5.164 96.963 ( 2.635 -2.827 2.499) 4.603 ======================= Grid point 121 (68/100) ======================= q-point: ( 0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 10.080 13.760 8.444) 19.033 2.537 ( 7.976 -5.451 -0.520) 9.675 2.892 ( 2.398 4.085 2.691) 5.448 3.031 ( 2.559 -0.918 -6.584) 7.123 3.122 ( -2.664 4.481 3.584) 6.326 3.296 ( -2.564 -3.057 2.103) 4.510 3.596 ( 2.097 0.319 -8.756) 9.009 3.636 ( 2.142 -0.460 -7.903) 8.201 3.869 ( -0.391 15.338 2.953) 15.625 3.953 ( 1.827 5.171 -5.751) 7.947 4.014 ( -0.740 -1.837 -0.304) 2.003 4.160 ( -10.014 10.194 -5.953) 15.480 4.304 ( -7.716 -0.293 -7.160) 10.530 4.338 ( -0.836 -9.423 -2.904) 9.895 4.461 ( 4.455 -2.053 1.660) 5.178 4.536 ( 3.521 -7.221 0.021) 8.034 4.706 ( -4.809 5.825 5.305) 9.230 4.865 ( -1.726 -8.246 1.865) 8.628 4.932 ( -0.010 2.760 -0.766) 2.864 5.004 ( -0.933 -2.938 -0.103) 3.084 5.255 ( -1.284 4.324 9.344) 10.376 5.375 ( 3.393 -4.413 14.211) 15.263 5.413 ( -0.861 0.532 1.394) 1.723 5.508 ( 3.676 -7.234 4.772) 9.414 5.922 ( -0.153 7.547 -6.219) 9.781 5.996 ( 0.873 1.387 -4.703) 4.981 6.120 ( 4.344 6.552 -0.357) 7.869 6.234 ( 1.536 -4.147 -3.265) 5.497 6.652 ( 2.814 4.574 -7.634) 9.334 6.746 ( -4.009 9.133 3.134) 10.455 6.805 ( 1.718 -7.679 -4.120) 8.882 6.932 ( -4.168 -7.151 1.290) 8.377 7.158 ( 1.945 4.392 4.166) 6.358 7.211 ( 1.578 1.009 1.707) 2.534 7.455 ( -1.004 -2.032 0.214) 2.277 7.484 ( -2.834 -6.371 -2.948) 7.570 7.636 ( -1.217 3.641 3.143) 4.961 7.695 ( -0.091 -2.557 1.339) 2.888 8.240 ( 2.841 4.592 -2.152) 5.813 8.321 ( 5.246 -3.080 -4.229) 7.409 8.608 ( -1.628 1.447 -1.438) 2.610 8.659 ( -0.296 -2.920 -1.589) 3.338 8.855 ( 2.173 0.733 -0.902) 2.464 8.899 ( 1.464 -2.802 -0.997) 3.315 10.631 ( -2.686 1.293 -2.855) 4.128 10.669 ( -3.118 -2.311 -3.705) 5.366 10.847 ( 3.508 2.960 3.063) 5.518 10.921 ( 3.196 -4.061 3.037) 5.994 12.872 ( -2.390 4.113 -0.661) 4.803 12.955 ( -2.175 -3.276 -1.550) 4.227 13.187 ( 0.826 2.187 0.425) 2.376 13.227 ( 1.222 -1.300 -0.275) 1.805 14.307 ( -3.643 2.140 6.299) 7.585 14.359 ( -3.957 -2.582 6.989) 8.436 14.766 ( 2.039 3.636 -4.488) 6.125 14.838 ( 2.436 -2.826 -4.111) 5.551 16.246 ( 2.081 2.480 0.266) 3.248 16.315 ( 2.096 -4.004 -0.231) 4.525 17.380 ( 1.333 0.758 1.646) 2.250 17.391 ( 1.236 -0.269 1.723) 2.137 21.378 ( -0.590 4.334 0.238) 4.381 21.444 ( 0.230 -1.565 -1.704) 2.325 21.932 ( 2.989 4.075 0.204) 5.057 21.983 ( 4.166 -0.707 -1.130) 4.374 22.751 ( 0.029 2.372 1.604) 2.864 22.800 ( 0.736 -1.458 1.418) 2.163 23.001 ( 2.496 1.517 -1.756) 3.408 23.039 ( 2.191 -1.014 -2.039) 3.160 23.543 ( -4.466 4.760 4.935) 8.182 23.643 ( -3.997 -4.451 2.646) 6.541 24.413 ( 1.907 3.635 -2.454) 4.783 24.523 ( 2.517 -6.324 -3.597) 7.698 28.250 ( 1.190 -0.038 -0.215) 1.210 28.254 ( 0.982 -0.487 -0.306) 1.138 28.351 ( -0.765 0.454 0.019) 0.889 28.360 ( -0.942 -0.394 -0.105) 1.026 28.538 ( -0.481 2.824 1.025) 3.042 28.585 ( 0.322 0.119 -0.335) 0.480 28.628 ( -2.060 -1.511 0.161) 2.560 28.674 ( -1.796 -4.163 -0.811) 4.605 29.761 ( 0.524 1.937 0.930) 2.212 29.800 ( 1.117 -1.463 0.752) 1.989 29.833 ( -0.260 0.598 -0.031) 0.653 29.853 ( -0.448 -1.188 -0.187) 1.283 30.052 ( -2.623 4.058 3.077) 5.729 30.131 ( -2.150 -3.324 1.988) 4.430 30.860 ( 4.888 9.634 -6.870) 12.803 31.004 ( 5.873 -3.343 -7.750) 10.283 31.989 ( 3.224 3.738 1.948) 5.307 32.081 ( 4.217 -4.809 0.810) 6.447 33.074 ( -14.203 -0.180 4.251) 14.827 33.093 ( -14.208 -1.910 5.338) 15.298 48.397 ( -0.331 0.929 1.691) 1.958 48.425 ( -0.595 -1.588 1.817) 2.485 48.531 ( 0.346 1.282 -1.481) 1.989 48.557 ( 0.227 -1.130 -2.178) 2.464 72.854 ( 0.620 0.277 -0.022) 0.679 72.861 ( 0.639 -0.325 -0.066) 0.720 72.894 ( -0.366 0.063 -0.047) 0.375 72.899 ( -0.292 -0.394 -0.042) 0.492 94.799 ( -1.242 2.839 1.366) 3.387 94.863 ( -1.397 -2.792 1.366) 3.408 95.256 ( 1.778 10.692 -1.145) 10.899 95.541 ( 2.258 -15.503 -3.850) 16.133 96.615 ( 1.122 3.480 -0.139) 3.660 96.686 ( 0.954 -2.971 -1.339) 3.396 97.031 ( 2.727 -1.397 2.911) 4.226 97.050 ( 5.412 -3.284 1.970) 6.630 ======================= Grid point 122 (69/100) ======================= q-point: (-0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 1.860 12.232 -0.443) 12.380 2.590 ( -0.765 7.465 -3.595) 8.321 2.892 ( -5.484 -0.044 -7.302) 9.132 2.931 ( -1.074 -2.395 -16.862) 17.065 3.097 ( -0.253 0.261 3.096) 3.117 3.229 ( -6.157 -6.724 3.514) 9.771 3.536 ( -1.708 -0.375 -8.836) 9.007 3.564 ( -2.851 0.891 -7.379) 7.961 3.791 ( -6.357 8.300 -3.037) 10.887 3.881 ( -8.114 3.243 -5.880) 10.533 3.998 ( 1.420 2.041 -2.397) 3.454 4.046 ( 0.288 0.915 -3.594) 3.720 4.111 ( -2.723 8.855 1.434) 9.375 4.300 ( -2.827 -6.625 -1.520) 7.362 4.487 ( -4.627 -3.645 7.770) 9.750 4.569 ( -3.337 -6.848 4.880) 9.047 4.729 ( 4.276 6.597 -0.430) 7.873 4.859 ( 1.099 -5.164 2.546) 5.861 4.958 ( 2.444 5.947 -0.711) 6.469 5.032 ( 6.320 -0.990 -6.652) 9.229 5.174 ( -8.042 5.597 2.810) 10.193 5.363 ( -4.768 -8.552 4.941) 10.967 5.595 ( 6.664 1.392 6.179) 9.194 5.652 ( 3.465 -3.563 4.981) 7.037 5.947 ( 5.618 2.421 0.810) 6.171 5.980 ( 2.923 -0.448 -5.360) 6.122 6.241 ( 4.791 6.245 6.664) 10.313 6.316 ( 7.139 -0.600 1.848) 7.399 6.554 ( -3.424 7.075 -6.583) 10.253 6.713 ( -3.488 -6.787 -5.575) 9.450 6.828 ( 6.686 5.827 1.721) 9.034 6.998 ( 5.478 -9.079 0.876) 10.640 7.140 ( -4.134 5.858 1.738) 7.377 7.269 ( -0.295 -2.454 1.158) 2.729 7.364 ( -2.606 2.537 -2.258) 4.281 7.448 ( -1.786 -2.717 1.676) 3.658 7.664 ( -0.362 2.474 6.267) 6.747 7.728 ( 0.220 -3.711 4.129) 5.556 8.261 ( 0.759 3.732 -2.720) 4.680 8.345 ( 0.511 -4.389 -4.676) 6.434 8.596 ( 1.938 2.897 -2.309) 4.181 8.663 ( 2.722 -3.271 -1.986) 4.696 8.889 ( 0.149 -1.677 -0.408) 1.732 8.902 ( 0.703 -2.412 -0.680) 2.602 10.572 ( -1.260 0.712 -2.407) 2.809 10.597 ( -1.532 -1.673 -3.285) 3.992 10.932 ( 2.780 2.364 3.458) 5.028 10.987 ( 1.397 -2.783 2.791) 4.182 12.834 ( -0.848 3.653 -1.068) 3.900 12.907 ( -1.222 -2.867 -2.438) 3.957 13.202 ( 0.339 2.180 0.709) 2.317 13.239 ( 0.422 -1.116 -0.515) 1.299 14.286 ( -3.011 2.493 6.106) 7.250 14.343 ( -2.721 -2.737 6.715) 7.745 14.763 ( 1.032 4.106 -4.908) 6.482 14.842 ( 1.288 -3.116 -4.858) 5.914 16.282 ( 1.168 1.202 0.641) 1.794 16.333 ( 0.156 -3.706 -0.350) 3.726 17.410 ( 0.155 0.991 2.140) 2.363 17.425 ( 0.875 -0.374 1.604) 1.865 21.369 ( -0.662 4.150 0.540) 4.237 21.436 ( 0.097 -1.868 -1.345) 2.303 21.978 ( 1.464 4.476 -0.137) 4.711 22.043 ( 2.873 -1.619 -1.606) 3.668 22.764 ( -0.029 2.479 1.873) 3.107 22.820 ( 0.269 -2.219 1.189) 2.532 23.035 ( 1.707 1.942 -1.077) 2.801 23.061 ( 1.419 -0.122 -1.882) 2.360 23.507 ( -2.685 4.406 4.908) 7.121 23.603 ( -1.731 -4.423 2.517) 5.376 24.427 ( 1.265 3.393 -2.237) 4.256 24.531 ( 1.042 -5.933 -4.013) 7.238 28.273 ( 1.092 -0.200 -0.058) 1.112 28.275 ( 1.196 -0.377 0.051) 1.255 28.338 ( -0.393 0.217 -0.221) 0.500 28.342 ( -0.661 -0.159 -0.275) 0.733 28.536 ( -0.661 2.308 1.241) 2.703 28.586 ( -0.459 0.976 -0.622) 1.245 28.598 ( -0.577 -3.088 0.404) 3.167 28.640 ( -0.898 -3.863 -0.643) 4.017 29.776 ( 0.463 1.995 0.760) 2.184 29.814 ( 0.184 -1.174 0.009) 1.188 29.847 ( 0.778 -0.097 1.252) 1.477 29.856 ( 0.780 -0.782 0.425) 1.184 30.018 ( -2.762 4.698 2.376) 5.945 30.108 ( -1.439 -3.458 1.414) 4.004 30.930 ( 6.488 9.976 -5.298) 13.027 31.087 ( 7.801 -4.175 -6.780) 11.147 32.085 ( 4.347 4.504 5.229) 8.156 32.188 ( 4.989 -5.098 4.077) 8.216 32.808 ( -14.728 1.510 1.215) 14.855 32.846 ( -13.225 -2.094 0.644) 13.405 48.397 ( -0.830 0.648 1.493) 1.827 48.416 ( -1.473 -1.083 1.548) 2.396 48.529 ( 0.612 1.238 -1.601) 2.114 48.553 ( 0.884 -0.952 -2.019) 2.400 72.867 ( 0.630 0.282 -0.040) 0.691 72.871 ( 0.224 -0.003 -0.071) 0.235 72.888 ( -0.072 -0.188 -0.015) 0.202 72.892 ( -0.416 -0.467 -0.022) 0.626 94.800 ( 0.125 2.691 2.052) 3.386 94.863 ( 0.025 -2.712 1.960) 3.346 95.253 ( -0.631 9.229 -1.985) 9.462 95.497 ( -2.735 -12.832 -5.667) 14.292 96.645 ( 1.779 2.826 -0.344) 3.357 96.701 ( 1.367 -2.234 -1.437) 2.987 97.077 ( -0.040 -0.079 2.982) 2.984 97.145 ( 2.898 -6.810 0.772) 7.441 ======================= Grid point 123 (70/100) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -15.453 18.787 -11.754) 27.017 2.515 ( -6.328 12.514 0.019) 14.023 2.660 ( -6.754 4.073 -8.763) 11.790 2.732 ( -10.916 -19.191 -12.128) 25.190 3.141 ( 1.172 -4.814 -0.328) 4.965 3.157 ( -5.239 -8.760 7.441) 12.631 3.427 ( 0.086 7.328 -9.384) 11.906 3.520 ( 2.396 0.520 -1.623) 2.940 3.713 ( -1.687 2.832 2.570) 4.180 3.775 ( -0.745 0.454 1.126) 1.425 3.932 ( -6.577 4.784 -0.674) 8.161 4.016 ( -1.081 -3.721 -1.526) 4.164 4.122 ( 0.281 10.201 0.209) 10.207 4.257 ( -2.532 5.392 4.187) 7.281 4.456 ( -2.997 -1.195 4.475) 5.517 4.529 ( -3.423 -7.914 3.166) 9.185 4.754 ( -0.134 6.594 -2.600) 7.089 4.889 ( 0.309 -4.859 -4.449) 6.595 4.985 ( -3.978 12.712 6.979) 15.037 5.068 ( 1.165 2.209 -1.897) 3.136 5.154 ( 7.449 -1.872 -2.378) 8.041 5.331 ( -0.908 -12.160 3.124) 12.587 5.659 ( 2.024 2.132 -3.990) 4.956 5.688 ( 0.026 -2.625 -1.236) 2.902 6.038 ( 4.567 2.753 -1.989) 5.692 6.095 ( 5.231 -2.445 1.613) 5.995 6.369 ( 2.268 5.782 8.378) 10.429 6.460 ( 2.702 -1.474 2.368) 3.884 6.500 ( 4.464 5.526 -2.914) 7.678 6.651 ( 0.988 -7.487 -5.119) 9.124 6.955 ( 2.866 5.062 2.906) 6.502 7.064 ( 0.569 6.933 -1.031) 7.032 7.098 ( 1.193 -7.274 -0.422) 7.384 7.207 ( -1.281 -5.044 -2.798) 5.909 7.351 ( -1.659 5.243 2.565) 6.068 7.424 ( -2.581 -0.311 1.897) 3.218 7.709 ( 0.599 0.416 7.008) 7.046 7.749 ( -0.824 -3.194 4.398) 5.498 8.210 ( -2.780 2.194 -6.420) 7.332 8.280 ( -2.559 -4.735 -7.997) 9.639 8.635 ( 2.713 4.220 -1.864) 5.352 8.726 ( 4.076 -3.943 -4.004) 6.942 8.860 ( -0.795 1.292 2.224) 2.692 8.945 ( 3.203 -6.099 1.258) 7.003 10.558 ( 1.107 0.270 -1.399) 1.805 10.572 ( 0.716 -1.055 -2.052) 2.416 10.984 ( 0.199 0.866 2.490) 2.643 11.004 ( -1.253 -0.987 1.428) 2.141 12.827 ( 0.828 2.822 -0.965) 3.095 12.880 ( 0.321 -1.986 -2.731) 3.392 13.210 ( -0.009 1.714 0.825) 1.903 13.238 ( -0.132 -0.750 -0.637) 0.993 14.281 ( -2.227 3.134 6.776) 7.791 14.349 ( -1.674 -3.146 7.230) 8.060 14.741 ( 0.405 4.179 -4.924) 6.471 14.822 ( 0.398 -3.220 -5.174) 6.108 16.286 ( -1.551 0.514 0.757) 1.801 16.325 ( -0.529 -3.322 -0.372) 3.385 17.412 ( -1.370 1.517 1.997) 2.858 17.438 ( -0.722 -0.856 1.556) 1.917 21.361 ( -0.500 4.288 0.569) 4.354 21.430 ( 0.230 -1.877 -1.236) 2.259 21.979 ( -1.191 4.890 -0.242) 5.039 22.062 ( 0.247 -2.806 -1.772) 3.328 22.774 ( -0.367 2.211 2.048) 3.036 22.823 ( -0.724 -2.058 0.922) 2.369 23.036 ( -0.682 2.286 -1.261) 2.698 23.065 ( 0.206 -0.485 -1.901) 1.973 23.517 ( 0.168 4.770 4.788) 6.761 23.619 ( 1.456 -4.524 2.593) 5.414 24.428 ( 0.341 2.435 -1.960) 3.144 24.510 ( -0.134 -4.893 -4.229) 6.469 28.282 ( -0.385 -0.122 -0.125) 0.423 28.284 ( -0.316 -0.310 -0.066) 0.448 28.337 ( 0.627 0.258 -0.244) 0.721 28.343 ( 0.891 -0.254 -0.289) 0.970 28.527 ( -0.948 0.991 0.985) 1.688 28.566 ( -1.160 -2.329 0.762) 2.711 28.612 ( 1.773 0.098 -0.726) 1.919 28.643 ( 1.403 -2.542 -0.318) 2.921 29.791 ( 0.470 1.318 0.627) 1.533 29.814 ( -0.184 -0.775 -0.117) 0.805 29.864 ( 0.166 0.225 0.892) 0.935 29.875 ( 0.472 -0.744 0.361) 0.952 29.990 ( -1.720 5.692 2.599) 6.489 30.102 ( -0.170 -4.398 1.717) 4.725 31.012 ( 6.521 10.407 -7.847) 14.574 31.181 ( 7.745 -4.852 -10.353) 13.810 32.204 ( 1.007 2.820 8.705) 9.206 32.270 ( -2.949 -3.342 5.373) 6.981 32.604 ( -4.500 3.632 1.859) 6.074 32.681 ( -1.407 -3.431 1.171) 3.889 48.387 ( -1.322 0.183 1.533) 2.032 48.394 ( -1.851 -0.433 1.462) 2.398 48.532 ( 0.835 1.515 -1.548) 2.321 48.562 ( 1.428 -1.267 -1.781) 2.611 72.865 ( -0.550 0.384 -0.022) 0.671 72.873 ( -0.211 -0.269 -0.095) 0.355 72.888 ( 0.226 -0.075 -0.023) 0.239 72.893 ( 0.454 -0.434 -0.036) 0.629 94.825 ( 0.551 2.824 2.560) 3.851 94.879 ( 0.069 -1.572 1.473) 2.156 95.221 ( -1.523 5.062 -0.414) 5.303 95.383 ( -4.433 -9.295 -6.082) 11.960 96.665 ( 0.557 2.184 -0.402) 2.289 96.708 ( 0.530 -1.640 -1.759) 2.463 97.068 ( -3.056 0.574 3.026) 4.339 97.158 ( -2.065 -8.269 0.745) 8.555 ======================= Grid point 124 (71/100) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -15.687 24.125 -2.504) 28.885 2.370 ( -11.021 6.348 3.926) 13.311 2.415 ( -11.079 -13.866 0.604) 17.758 2.593 ( -0.623 -2.125 -0.308) 2.235 3.097 ( -6.638 -6.460 10.827) 14.249 3.136 ( -2.041 -8.316 5.054) 9.943 3.471 ( 8.137 12.884 -5.913) 16.345 3.594 ( 4.528 0.367 0.704) 4.597 3.718 ( -1.230 0.417 0.557) 1.413 3.761 ( -1.917 -1.518 -1.347) 2.791 3.897 ( 5.635 4.291 2.766) 7.604 3.966 ( -2.775 1.085 -1.258) 3.235 4.155 ( 1.311 5.062 5.944) 7.917 4.217 ( -4.655 6.557 3.388) 8.726 4.414 ( -1.997 4.178 -2.411) 5.221 4.490 ( -2.278 -0.227 -0.391) 2.322 4.711 ( -1.364 0.967 -5.940) 6.171 4.801 ( -2.932 -2.836 -2.456) 4.761 5.000 ( -1.240 5.072 9.162) 10.546 5.105 ( 2.134 4.315 -1.974) 5.203 5.239 ( 0.656 -3.981 5.316) 6.674 5.375 ( 2.318 -9.118 1.504) 9.528 5.658 ( 0.120 -0.278 -3.861) 3.873 5.686 ( 3.073 -1.358 -6.120) 6.982 6.063 ( 1.263 3.102 -6.148) 7.001 6.137 ( 1.422 -3.629 -4.707) 6.111 6.399 ( -1.341 5.851 -0.587) 6.031 6.507 ( 0.136 -2.416 4.881) 5.448 6.580 ( 1.081 2.146 1.391) 2.776 6.672 ( 3.176 -5.473 -2.732) 6.892 6.940 ( -1.878 6.197 0.425) 6.489 7.067 ( -2.191 -4.450 2.138) 5.401 7.163 ( 6.474 5.555 1.554) 8.671 7.236 ( 2.659 -2.165 -3.592) 4.966 7.299 ( -1.652 3.585 -3.884) 5.538 7.397 ( -1.608 -1.601 3.149) 3.882 7.759 ( 0.896 0.277 3.454) 3.579 7.801 ( 2.697 -3.464 6.001) 7.436 8.089 ( -4.513 0.279 -6.903) 8.252 8.145 ( -5.375 -5.439 -8.102) 11.141 8.645 ( -0.271 3.239 -1.599) 3.623 8.705 ( -1.783 -2.129 -2.510) 3.743 8.932 ( 5.038 3.114 -0.094) 5.923 9.046 ( 5.635 -7.259 1.211) 9.269 10.585 ( 2.491 0.007 -1.503) 2.909 10.589 ( 2.353 -0.431 -1.727) 2.950 10.958 ( -3.601 0.558 0.055) 3.644 10.974 ( -2.732 -0.992 1.049) 3.090 12.852 ( 2.190 1.902 -0.106) 2.903 12.883 ( 1.867 -1.023 -2.038) 2.947 13.214 ( -0.214 0.900 0.656) 1.135 13.226 ( -0.619 -0.186 -0.697) 0.951 14.294 ( -1.819 3.788 7.797) 8.857 14.377 ( -1.164 -3.864 8.305) 9.234 14.717 ( 0.665 3.874 -4.502) 5.977 14.793 ( 0.401 -3.093 -4.853) 5.769 16.244 ( -2.876 1.708 0.361) 3.365 16.303 ( -1.825 -3.725 -0.092) 4.149 17.390 ( -2.171 1.655 1.559) 3.144 17.419 ( -2.247 -1.044 1.359) 2.825 21.360 ( 0.086 4.552 0.329) 4.565 21.428 ( 0.548 -1.573 -1.419) 2.189 21.936 ( -2.954 5.183 -0.048) 5.966 22.029 ( -2.353 -3.396 -1.578) 4.422 22.777 ( -0.877 1.718 2.031) 2.801 22.806 ( -1.648 -0.996 0.870) 2.113 23.006 ( -0.924 1.956 -2.028) 2.965 23.042 ( -0.908 -1.372 -2.198) 2.745 23.568 ( 1.414 5.460 4.441) 7.178 23.682 ( 2.703 -5.008 2.856) 6.367 24.415 ( -0.319 1.466 -1.821) 2.360 24.475 ( -0.220 -3.985 -4.115) 5.733 28.265 ( -0.844 0.071 -0.590) 1.032 28.271 ( -0.757 -0.439 -0.436) 0.978 28.353 ( 0.973 0.262 -0.030) 1.008 28.360 ( 0.832 -0.263 -0.054) 0.874 28.522 ( -0.168 0.731 0.831) 1.120 28.557 ( -0.463 -2.304 0.952) 2.536 28.647 ( 2.203 0.583 -0.627) 2.364 28.676 ( 2.029 -1.926 -0.322) 2.816 29.795 ( -0.616 0.331 0.543) 0.885 29.799 ( -1.440 0.027 0.301) 1.472 29.870 ( 0.427 0.373 -0.433) 0.713 29.880 ( 0.436 -0.493 -0.449) 0.797 29.994 ( -0.239 5.983 3.621) 6.997 30.122 ( 0.463 -5.347 2.601) 5.964 31.051 ( 4.823 10.350 -12.886) 17.218 31.210 ( 4.558 -4.022 -15.813) 16.941 32.140 ( -9.163 0.635 1.177) 9.260 32.172 ( -6.442 -2.574 0.950) 7.001 32.744 ( 10.647 3.904 13.455) 17.596 32.833 ( 10.188 -4.180 9.994) 14.871 48.370 ( -1.580 0.152 1.930) 2.499 48.375 ( -1.202 -0.319 1.629) 2.049 48.538 ( 0.825 1.915 -1.415) 2.520 48.578 ( 1.421 -1.820 -1.641) 2.833 72.854 ( -0.557 0.348 -0.015) 0.656 72.863 ( -0.612 -0.476 -0.088) 0.781 72.895 ( 0.397 0.092 -0.076) 0.415 72.900 ( 0.302 -0.358 -0.058) 0.472 94.847 ( -0.062 2.828 2.183) 3.573 94.881 ( -0.170 0.187 0.014) 0.253 95.197 ( -2.022 0.286 2.904) 3.550 95.266 ( -3.759 -5.571 -3.969) 7.805 96.662 ( -0.436 1.839 -0.461) 1.945 96.701 ( 0.293 -1.618 -2.011) 2.597 97.009 ( -5.229 0.521 3.173) 6.139 97.088 ( -5.796 -7.124 1.740) 9.347 ======================= Grid point 125 (72/100) ======================= q-point: (-0.14 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -5.798 23.684 12.503) 27.402 2.217 ( -6.843 -22.840 6.881) 24.816 2.329 ( -4.139 18.044 14.328) 23.410 2.642 ( 3.256 -7.815 6.699) 10.796 3.106 ( -1.700 -2.739 13.488) 13.868 3.135 ( -3.709 -6.310 9.867) 12.285 3.546 ( 0.008 9.889 -0.663) 9.911 3.654 ( 4.771 -0.003 -10.574) 11.601 3.724 ( 5.471 5.494 4.999) 9.225 3.826 ( 5.042 -3.330 2.085) 6.393 3.910 ( -1.418 8.114 0.112) 8.237 4.062 ( 8.412 -0.394 1.867) 8.626 4.162 ( -2.145 4.853 2.950) 6.070 4.239 ( 2.142 -2.752 6.020) 6.957 4.374 ( 1.717 8.246 -5.516) 10.068 4.432 ( -2.480 12.622 -1.348) 12.934 4.654 ( -0.015 -9.064 -4.109) 9.952 4.771 ( -0.121 -7.519 -1.086) 7.598 5.026 ( -2.289 4.946 6.900) 8.792 5.120 ( -0.426 5.399 2.454) 5.945 5.273 ( -2.434 -4.480 8.796) 10.167 5.393 ( -0.490 -5.009 -0.269) 5.040 5.597 ( -3.975 -1.945 -4.224) 6.117 5.674 ( -0.639 -4.857 -7.546) 8.997 6.033 ( 1.573 4.907 -7.920) 9.449 6.137 ( 3.363 -3.919 -6.639) 8.411 6.322 ( -3.368 6.763 -8.230) 11.172 6.467 ( -3.738 -6.209 -5.585) 9.149 6.606 ( -2.239 3.918 9.696) 10.694 6.701 ( -0.205 -3.865 4.230) 5.733 6.922 ( -0.181 9.580 -2.437) 9.887 7.066 ( -0.726 -4.427 0.887) 4.573 7.174 ( -0.107 5.390 -6.080) 8.125 7.281 ( 3.259 3.701 2.675) 5.610 7.316 ( 2.822 -3.875 -3.498) 5.934 7.407 ( 0.112 -6.046 2.928) 6.719 7.829 ( 5.539 1.670 -2.071) 6.144 7.868 ( 1.798 -0.997 -4.431) 4.885 7.965 ( -3.553 -2.269 -3.321) 5.366 8.023 ( -2.044 -5.069 0.553) 5.493 8.624 ( -1.091 2.050 0.641) 2.410 8.669 ( -1.195 -1.985 0.649) 2.407 8.983 ( 1.163 4.951 -3.949) 6.439 9.114 ( 1.296 -7.225 -4.291) 8.503 10.627 ( 3.158 0.060 -0.940) 3.295 10.630 ( 2.977 -0.189 -1.489) 3.334 10.879 ( -4.004 1.305 -0.971) 4.322 10.915 ( -3.582 -2.134 0.396) 4.188 12.902 ( 2.455 1.488 0.938) 3.020 12.922 ( 2.993 -0.384 -0.476) 3.055 13.202 ( -0.860 0.454 -1.062) 1.440 13.211 ( -0.799 -0.260 0.223) 0.869 14.316 ( -1.979 4.102 8.569) 9.704 14.411 ( -1.945 -4.691 9.105) 10.426 14.709 ( 1.718 3.387 -4.077) 5.572 14.776 ( 1.260 -2.783 -4.202) 5.195 16.199 ( -1.652 2.565 0.274) 3.063 16.259 ( -2.475 -2.891 -0.123) 3.808 17.360 ( -1.744 1.137 1.189) 2.397 17.380 ( -2.496 -0.689 1.117) 2.820 21.369 ( 0.807 4.598 -0.135) 4.671 21.432 ( 1.070 -1.071 -1.792) 2.345 21.881 ( -2.636 4.844 0.353) 5.526 21.962 ( -3.317 -2.613 -1.029) 4.346 22.767 ( -1.557 1.457 1.591) 2.660 22.782 ( -1.378 0.106 1.190) 1.824 22.981 ( 0.078 0.920 -2.661) 2.817 23.011 ( -0.416 -1.660 -2.539) 3.062 23.616 ( 0.170 5.980 4.291) 7.363 23.741 ( 0.959 -5.541 2.865) 6.312 24.395 ( -0.179 1.235 -2.013) 2.368 24.453 ( 0.888 -3.930 -3.813) 5.547 28.247 ( -0.492 0.085 -0.731) 0.885 28.254 ( -0.468 -0.551 -0.738) 1.033 28.368 ( 0.535 0.205 0.028) 0.574 28.373 ( 0.495 -0.054 0.233) 0.550 28.530 ( 0.318 1.104 0.766) 1.381 28.560 ( 0.000 -1.382 1.006) 1.709 28.677 ( 1.243 0.487 -0.599) 1.463 28.707 ( 1.478 -2.016 -0.586) 2.568 29.769 ( -1.718 0.785 0.502) 1.954 29.780 ( -1.102 -0.502 0.325) 1.254 29.875 ( 0.578 0.623 -1.126) 1.411 29.887 ( 0.501 -0.530 -0.804) 1.085 30.023 ( 0.153 5.523 4.533) 7.147 30.148 ( -0.051 -5.678 3.460) 6.649 31.014 ( 2.411 9.548 -17.066) 19.703 31.141 ( 1.026 -1.967 -17.605) 17.745 31.999 ( -5.816 2.045 0.601) 6.194 32.067 ( -3.614 -4.415 -1.924) 6.021 33.047 ( 8.548 1.381 14.913) 17.244 33.118 ( 9.435 -5.079 14.166) 17.762 48.362 ( -0.724 0.273 2.311) 2.437 48.372 ( -0.444 -0.592 2.217) 2.337 48.542 ( 0.592 2.154 -1.383) 2.627 48.589 ( 0.876 -2.203 -1.734) 2.938 72.845 ( -0.284 0.232 -0.013) 0.367 72.852 ( -0.482 -0.322 -0.083) 0.585 72.900 ( 0.236 0.004 -0.076) 0.248 72.904 ( 0.089 -0.257 -0.060) 0.278 94.857 ( -0.244 3.135 1.800) 3.623 94.886 ( 0.857 0.775 -0.018) 1.156 95.176 ( -2.906 -1.273 4.325) 5.364 95.211 ( 0.287 -4.216 -0.515) 4.257 96.651 ( -0.380 2.037 -0.002) 2.072 96.700 ( 1.018 -2.318 -1.584) 2.987 96.927 ( -5.448 0.533 3.459) 6.476 96.986 ( -5.746 -4.787 2.125) 7.775 ======================= Grid point 147 (73/100) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -5.570 0.000 18.708) 19.520 1.457 ( 7.531 0.000 0.866) 7.581 2.142 ( -6.933 0.000 14.368) 15.953 2.612 ( 7.023 0.000 -27.655) 28.533 3.098 ( -0.374 0.000 6.985) 6.995 3.155 ( -1.610 0.000 -1.201) 2.009 3.471 ( -1.975 0.000 26.443) 26.517 3.522 ( 7.270 0.000 12.895) 14.803 3.763 ( -4.361 0.000 -9.773) 10.702 3.847 ( 8.395 0.000 -7.901) 11.529 4.118 ( -3.423 0.000 9.518) 10.115 4.268 ( 4.350 0.000 -6.527) 7.844 4.375 ( -1.486 0.000 -0.180) 1.497 4.404 ( 1.878 0.000 -1.773) 2.583 4.626 ( -1.027 0.000 9.474) 9.530 4.742 ( 1.470 0.000 6.991) 7.144 4.752 ( -2.803 0.000 -4.605) 5.392 4.887 ( 5.714 0.000 3.601) 6.754 4.942 ( 9.449 0.000 9.320) 13.272 4.967 ( 0.646 0.000 16.705) 16.718 5.157 ( -7.012 0.000 -12.642) 14.456 5.299 ( -1.055 0.000 -10.144) 10.199 5.568 ( -3.111 0.000 1.543) 3.473 5.675 ( 4.504 0.000 -9.227) 10.268 5.834 ( -4.731 0.000 24.615) 25.066 5.941 ( -10.383 0.000 -6.531) 12.267 5.978 ( 7.306 0.000 -9.745) 12.179 6.274 ( -2.034 0.000 -7.399) 7.673 6.364 ( -2.698 0.000 -1.427) 3.052 6.479 ( 8.342 0.000 -23.820) 25.239 6.980 ( -11.323 0.000 6.292) 12.954 7.118 ( 8.882 0.000 -7.379) 11.548 7.267 ( -0.502 0.000 6.688) 6.707 7.311 ( 2.216 0.000 1.691) 2.788 7.567 ( -0.439 0.000 8.857) 8.867 7.615 ( -9.860 0.000 3.961) 10.625 7.638 ( 12.432 0.000 3.879) 13.023 7.732 ( -0.455 0.000 -7.326) 7.340 8.004 ( -3.105 0.000 0.822) 3.212 8.229 ( 0.324 0.000 -18.288) 18.291 8.715 ( -1.207 0.000 6.340) 6.454 8.799 ( 3.295 0.000 -2.089) 3.901 8.827 ( -2.757 0.000 1.145) 2.986 8.878 ( -5.404 0.000 -4.579) 7.083 10.644 ( 1.432 0.000 0.732) 1.609 10.683 ( -1.801 0.000 -3.217) 3.687 11.033 ( 7.032 0.000 2.736) 7.545 11.057 ( -4.183 0.000 0.157) 4.186 12.844 ( -2.947 0.000 2.338) 3.762 12.885 ( 2.945 0.000 -2.038) 3.581 13.127 ( -0.915 0.000 -0.447) 1.019 13.129 ( 1.206 0.000 -0.935) 1.525 14.438 ( -2.878 0.000 7.199) 7.753 14.549 ( 3.718 0.000 -4.302) 5.685 14.771 ( -4.377 0.000 2.073) 4.843 14.815 ( 2.304 0.000 -2.327) 3.275 16.115 ( 4.023 0.000 0.193) 4.028 16.119 ( -3.427 0.000 -0.202) 3.433 17.353 ( -1.575 0.000 0.547) 1.667 17.354 ( 1.026 0.000 0.525) 1.153 21.086 ( 0.843 0.000 0.262) 0.883 21.098 ( -0.354 0.000 -1.008) 1.068 21.752 ( -0.556 0.000 3.817) 3.858 21.813 ( -1.115 0.000 -2.400) 2.647 22.691 ( -1.129 0.000 1.628) 1.981 22.734 ( 1.035 0.000 -2.818) 3.002 22.948 ( -1.595 0.000 2.911) 3.320 23.001 ( 1.809 0.000 -2.433) 3.031 23.541 ( -2.902 0.000 11.575) 11.933 23.768 ( 2.376 0.000 -11.484) 11.727 24.538 ( -5.086 0.000 4.766) 6.970 24.628 ( 5.031 0.000 -4.285) 6.609 28.263 ( 1.163 0.000 0.216) 1.183 28.273 ( -1.437 0.000 -0.781) 1.636 28.340 ( 0.132 0.000 0.903) 0.913 28.359 ( -0.054 0.000 -1.029) 1.030 28.470 ( 1.274 0.000 -0.197) 1.289 28.479 ( -2.003 0.000 -1.029) 2.252 28.871 ( -1.984 0.000 3.391) 3.929 28.909 ( 2.884 0.000 -0.339) 2.904 29.707 ( 0.219 0.000 2.577) 2.586 29.752 ( -0.189 0.000 -1.982) 1.991 29.869 ( 1.589 0.000 1.329) 2.071 29.896 ( -1.312 0.000 -1.571) 2.047 29.922 ( 0.241 0.000 0.624) 0.669 29.936 ( 0.172 0.000 -0.773) 0.792 30.646 ( 1.732 0.000 1.103) 2.053 30.676 ( -2.386 0.000 -2.077) 3.163 31.970 ( -4.262 0.000 5.744) 7.152 32.100 ( 2.917 0.000 -7.510) 8.057 33.610 ( 1.582 0.000 13.314) 13.408 33.861 ( -1.949 0.000 -12.296) 12.449 48.413 ( 0.953 0.000 0.070) 0.955 48.415 ( -0.734 0.000 -0.101) 0.741 48.563 ( 1.744 0.000 2.988) 3.460 48.621 ( -0.817 0.000 -2.971) 3.081 72.845 ( 0.208 0.000 0.066) 0.219 72.846 ( -0.127 0.000 -0.052) 0.138 72.917 ( -0.147 0.000 0.025) 0.149 72.917 ( 0.161 0.000 -0.031) 0.164 94.716 ( -0.289 0.000 1.258) 1.291 94.744 ( 0.514 0.000 -1.667) 1.744 95.460 ( -14.201 0.000 10.838) 17.864 95.669 ( 21.187 0.000 -10.564) 23.675 96.721 ( 3.827 0.000 2.243) 4.436 96.760 ( -0.738 0.000 -1.956) 2.091 97.116 ( 5.440 0.000 1.655) 5.686 97.141 ( -13.376 0.000 -1.135) 13.424 ======================= Grid point 148 (74/100) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -0.807 0.000 15.591) 15.612 1.640 ( 15.913 0.000 -15.912) 22.503 2.150 ( -5.278 0.000 25.506) 26.046 2.526 ( 3.504 0.000 -28.827) 29.039 3.120 ( -1.251 0.000 -1.126) 1.683 3.124 ( -1.099 0.000 6.346) 6.440 3.476 ( -13.168 0.000 -0.765) 13.190 3.672 ( 1.007 0.000 2.555) 2.747 3.685 ( 4.430 0.000 -2.734) 5.206 3.945 ( 11.321 0.000 -6.896) 13.256 4.094 ( -3.826 0.000 -0.014) 3.826 4.271 ( 1.291 0.000 -3.979) 4.183 4.370 ( 0.031 0.000 2.051) 2.051 4.413 ( 0.942 0.000 -2.870) 3.020 4.656 ( -3.881 0.000 -2.353) 4.539 4.677 ( -1.913 0.000 10.232) 10.409 4.803 ( 0.261 0.000 2.666) 2.679 4.826 ( -9.932 0.000 -5.017) 11.127 4.946 ( -0.505 0.000 -17.643) 17.650 5.163 ( 9.264 0.000 11.488) 14.758 5.188 ( 6.368 0.000 15.656) 16.901 5.199 ( -1.400 0.000 -21.269) 21.315 5.584 ( 2.653 0.000 5.135) 5.779 5.706 ( -12.049 0.000 2.460) 12.298 5.758 ( 7.181 0.000 -9.719) 12.084 5.990 ( -0.213 0.000 28.014) 28.014 6.052 ( 5.846 0.000 2.539) 6.373 6.140 ( -0.892 0.000 -15.400) 15.426 6.321 ( -0.344 0.000 -1.935) 1.966 6.498 ( 4.053 0.000 -10.793) 11.529 6.759 ( -14.600 0.000 8.310) 16.799 7.168 ( 0.777 0.000 -6.301) 6.349 7.258 ( -2.697 0.000 2.453) 3.645 7.304 ( -15.573 0.000 -0.967) 15.603 7.358 ( 0.020 0.000 2.238) 2.238 7.583 ( -4.037 0.000 -6.277) 7.463 7.691 ( 3.235 0.000 8.356) 8.960 7.896 ( 7.336 0.000 -7.777) 10.691 8.056 ( 2.971 0.000 14.118) 14.427 8.198 ( 6.697 0.000 -12.426) 14.116 8.720 ( -2.360 0.000 2.254) 3.263 8.801 ( -0.925 0.000 -2.297) 2.477 8.874 ( 5.170 0.000 10.924) 12.085 8.885 ( 5.527 0.000 0.033) 5.527 10.630 ( -1.856 0.000 -1.993) 2.724 10.681 ( 1.562 0.000 1.895) 2.456 10.948 ( -5.752 0.000 -3.333) 6.648 11.131 ( 2.683 0.000 -0.634) 2.757 12.796 ( -3.405 0.000 2.199) 4.053 12.914 ( 1.306 0.000 -2.274) 2.622 13.110 ( -0.500 0.000 -0.000) 0.500 13.150 ( 1.511 0.000 -0.902) 1.760 14.412 ( -4.329 0.000 5.239) 6.796 14.562 ( 1.271 0.000 -6.002) 6.135 14.693 ( -5.572 0.000 5.711) 7.979 14.834 ( 1.095 0.000 -2.140) 2.404 16.125 ( 3.841 0.000 1.133) 4.005 16.268 ( 11.011 0.000 -2.551) 11.302 17.337 ( -0.313 0.000 0.275) 0.416 17.374 ( 0.438 0.000 1.038) 1.127 21.101 ( 1.565 0.000 -1.213) 1.980 21.118 ( 2.214 0.000 0.072) 2.215 21.795 ( 1.496 0.000 5.096) 5.311 21.821 ( 3.291 0.000 -1.918) 3.809 22.697 ( 0.454 0.000 2.097) 2.146 22.747 ( 2.099 0.000 -2.345) 3.147 22.934 ( -1.941 0.000 2.749) 3.366 23.017 ( 1.768 0.000 -2.925) 3.418 23.554 ( -4.207 0.000 11.482) 12.228 23.717 ( 0.610 0.000 -10.444) 10.461 24.484 ( -3.712 0.000 4.553) 5.875 24.690 ( 4.344 0.000 -4.663) 6.373 28.254 ( 0.000 0.000 -0.476) 0.476 28.293 ( 1.386 0.000 0.575) 1.501 28.349 ( 0.056 0.000 0.838) 0.840 28.351 ( -0.059 0.000 -1.057) 1.059 28.454 ( 0.044 0.000 0.789) 0.791 28.511 ( 2.522 0.000 0.507) 2.573 28.844 ( -2.603 0.000 1.495) 3.002 28.949 ( 2.258 0.000 -2.391) 3.289 29.723 ( -0.483 0.000 2.271) 2.322 29.732 ( -0.304 0.000 -2.217) 2.238 29.857 ( -1.424 0.000 -1.542) 2.099 29.898 ( -0.010 0.000 1.318) 1.318 29.922 ( -0.141 0.000 -0.046) 0.148 29.924 ( -0.548 0.000 -1.110) 1.238 30.645 ( 0.523 0.000 -0.992) 1.122 30.712 ( 3.791 0.000 1.981) 4.277 31.959 ( -1.792 0.000 7.405) 7.619 32.136 ( 5.699 0.000 -5.144) 7.677 33.583 ( -17.196 0.000 -8.402) 19.139 33.593 ( -12.501 0.000 9.827) 15.901 48.402 ( -0.428 0.000 -0.166) 0.459 48.431 ( 0.873 0.000 -0.192) 0.894 48.573 ( -1.474 0.000 -3.684) 3.968 48.591 ( -0.762 0.000 2.273) 2.397 72.846 ( 0.186 0.000 0.004) 0.186 72.853 ( 0.537 0.000 -0.165) 0.562 72.913 ( -0.208 0.000 0.027) 0.210 72.920 ( 0.092 0.000 -0.058) 0.109 94.727 ( 0.453 0.000 1.146) 1.232 94.749 ( 1.241 0.000 -1.677) 2.086 95.293 ( -8.672 0.000 6.708) 10.964 95.956 ( 17.164 0.000 -17.627) 24.603 96.689 ( -9.770 0.000 0.801) 9.803 96.717 ( -0.801 0.000 -3.372) 3.466 97.088 ( 9.089 0.000 2.573) 9.446 97.268 ( 5.804 0.000 7.102) 9.172 ======================= Grid point 149 (75/100) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -1.000 0.000 13.525) 13.562 1.785 ( 13.758 0.000 -23.015) 26.814 2.287 ( -0.240 0.000 17.939) 17.940 2.319 ( -3.508 0.000 -29.190) 29.401 3.079 ( -18.598 0.000 5.396) 19.365 3.098 ( 0.550 0.000 -2.170) 2.239 3.168 ( -2.135 0.000 -2.155) 3.033 3.650 ( -1.357 0.000 -5.482) 5.648 3.798 ( 9.166 0.000 -7.471) 11.825 3.996 ( -2.705 0.000 -2.480) 3.670 4.167 ( 10.427 0.000 -6.197) 12.130 4.293 ( 3.372 0.000 -1.640) 3.750 4.331 ( -2.464 0.000 -3.539) 4.312 4.392 ( -1.178 0.000 -2.884) 3.116 4.553 ( -6.876 0.000 2.486) 7.311 4.670 ( -6.264 0.000 10.572) 12.289 4.673 ( -1.287 0.000 2.098) 2.461 4.773 ( -2.719 0.000 -11.176) 11.502 4.858 ( 1.434 0.000 -12.842) 12.922 4.921 ( -5.760 0.000 -18.220) 19.109 5.286 ( -7.459 0.000 4.538) 8.731 5.516 ( 14.524 0.000 16.252) 21.796 5.571 ( 0.621 0.000 2.769) 2.838 5.688 ( -4.346 0.000 -13.236) 13.931 5.733 ( 4.579 0.000 12.793) 13.588 6.020 ( -3.316 0.000 -10.508) 11.019 6.196 ( 2.256 0.000 24.775) 24.877 6.299 ( 10.193 0.000 11.120) 15.085 6.325 ( 2.462 0.000 -2.639) 3.609 6.409 ( -7.623 0.000 4.464) 8.834 6.674 ( 2.723 0.000 -2.956) 4.019 7.065 ( -8.287 0.000 1.132) 8.364 7.068 ( -5.052 0.000 -7.084) 8.701 7.219 ( -2.628 0.000 -0.103) 2.630 7.386 ( 2.193 0.000 -1.625) 2.729 7.484 ( -2.817 0.000 -3.535) 4.520 7.795 ( 0.915 0.000 9.402) 9.446 7.953 ( 5.274 0.000 -7.436) 9.117 8.129 ( -3.964 0.000 8.552) 9.426 8.237 ( 5.100 0.000 -11.804) 12.859 8.680 ( -2.805 0.000 1.970) 3.427 8.754 ( -1.008 0.000 -4.529) 4.640 9.040 ( 9.038 0.000 3.199) 9.588 9.120 ( 7.623 0.000 16.306) 18.000 10.586 ( -1.653 0.000 -0.843) 1.856 10.701 ( -1.628 0.000 -1.611) 2.290 10.845 ( -0.713 0.000 -1.149) 1.352 11.139 ( -0.662 0.000 -1.912) 2.023 12.755 ( -2.490 0.000 2.620) 3.615 12.896 ( -0.769 0.000 -3.676) 3.756 13.115 ( 0.516 0.000 1.244) 1.347 13.170 ( 1.274 0.000 -1.320) 1.835 14.357 ( -4.561 0.000 4.368) 6.315 14.518 ( -0.774 0.000 -7.210) 7.251 14.654 ( -3.714 0.000 7.805) 8.643 14.829 ( 0.902 0.000 -4.331) 4.424 16.251 ( 6.198 0.000 4.477) 7.646 16.441 ( 9.203 0.000 -4.913) 10.432 17.348 ( 1.603 0.000 -0.596) 1.710 17.381 ( -0.848 0.000 1.962) 2.137 21.135 ( 2.610 0.000 -1.111) 2.836 21.160 ( 2.102 0.000 -0.241) 2.115 21.862 ( 0.864 0.000 6.600) 6.656 21.896 ( 5.823 0.000 -2.641) 6.394 22.733 ( 1.444 0.000 2.233) 2.660 22.775 ( 2.267 0.000 -2.102) 3.091 22.917 ( -1.862 0.000 3.181) 3.686 23.025 ( 1.357 0.000 -3.442) 3.700 23.539 ( -5.315 0.000 10.142) 11.451 23.658 ( 0.541 0.000 -8.904) 8.920 24.467 ( -1.428 0.000 4.638) 4.852 24.712 ( 1.665 0.000 -5.906) 6.137 28.266 ( 1.465 0.000 -0.211) 1.480 28.311 ( 0.337 0.000 -0.040) 0.339 28.342 ( -0.187 0.000 -0.981) 0.998 28.350 ( -0.477 0.000 0.542) 0.722 28.504 ( 2.997 0.000 4.603) 5.492 28.564 ( 2.558 0.000 0.687) 2.649 28.797 ( -2.783 0.000 0.171) 2.788 28.958 ( 1.187 0.000 -4.816) 4.960 29.713 ( 0.047 0.000 -2.381) 2.381 29.713 ( -1.989 0.000 1.669) 2.596 29.832 ( -0.196 0.000 -0.852) 0.874 29.878 ( -2.148 0.000 0.720) 2.266 29.907 ( -0.276 0.000 -1.041) 1.077 29.924 ( 0.069 0.000 -0.304) 0.311 30.686 ( 3.608 0.000 0.912) 3.722 30.802 ( 4.121 0.000 1.355) 4.338 32.007 ( 0.814 0.000 10.107) 10.140 32.247 ( 8.785 0.000 -2.371) 9.099 33.173 ( -20.666 0.000 -3.290) 20.926 33.291 ( -21.452 0.000 -0.348) 21.455 48.400 ( 0.192 0.000 0.093) 0.214 48.441 ( 0.337 0.000 -0.545) 0.641 48.530 ( -0.077 0.000 -3.766) 3.767 48.569 ( -2.954 0.000 2.097) 3.623 72.852 ( 0.276 0.000 0.260) 0.379 72.861 ( 0.489 0.000 -0.360) 0.607 72.910 ( -0.129 0.000 0.085) 0.154 72.920 ( 0.020 0.000 -0.141) 0.143 94.745 ( 0.546 0.000 0.986) 1.127 94.765 ( 1.440 0.000 -1.552) 2.117 95.252 ( -0.700 0.000 7.263) 7.296 96.012 ( 1.481 0.000 -18.580) 18.639 96.548 ( -4.483 0.000 4.862) 6.613 96.692 ( 0.427 0.000 -3.608) 3.633 97.351 ( 16.904 0.000 -5.411) 17.749 97.400 ( 1.011 0.000 11.070) 11.116 ======================= Grid point 150 (76/100) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -3.826 0.000 15.671) 16.131 1.854 ( 8.403 0.000 -22.512) 24.029 2.075 ( -0.538 0.000 -21.969) 21.976 2.136 ( -16.871 0.000 -8.830) 19.042 2.948 ( -4.032 0.000 22.889) 23.242 3.122 ( 3.943 0.000 -2.830) 4.853 3.180 ( 1.823 0.000 2.974) 3.488 3.526 ( -6.095 0.000 -8.120) 10.153 3.858 ( 2.616 0.000 -9.327) 9.687 3.927 ( -3.384 0.000 -8.297) 8.961 4.143 ( 0.930 0.000 -2.727) 2.881 4.288 ( -3.885 0.000 -5.568) 6.789 4.404 ( -6.714 0.000 3.821) 7.725 4.413 ( 5.673 0.000 1.265) 5.812 4.430 ( 0.022 0.000 4.041) 4.041 4.561 ( -1.552 0.000 -14.173) 14.258 4.625 ( -6.460 0.000 8.140) 10.392 4.737 ( 1.811 0.000 1.567) 2.395 4.853 ( 5.487 0.000 -1.598) 5.715 4.868 ( 3.211 0.000 -1.744) 3.654 5.105 ( -8.580 0.000 2.107) 8.835 5.441 ( -11.483 0.000 -12.889) 17.263 5.682 ( 6.366 0.000 1.716) 6.593 5.835 ( -0.220 0.000 10.560) 10.562 5.881 ( 2.722 0.000 -2.918) 3.990 5.889 ( 2.807 0.000 9.868) 10.260 6.310 ( -4.008 0.000 5.365) 6.697 6.359 ( 4.459 0.000 -1.561) 4.724 6.413 ( 3.753 0.000 14.857) 15.323 6.575 ( 10.632 0.000 3.396) 11.161 6.723 ( 3.726 0.000 -4.704) 6.001 6.913 ( -5.834 0.000 -7.644) 9.616 7.013 ( 1.233 0.000 2.322) 2.629 7.149 ( -3.892 0.000 -2.197) 4.469 7.416 ( 2.387 0.000 -2.686) 3.594 7.422 ( -2.138 0.000 -1.056) 2.384 7.844 ( -2.801 0.000 9.718) 10.113 7.991 ( 3.662 0.000 -5.781) 6.843 8.076 ( -5.270 0.000 4.771) 7.109 8.221 ( 2.744 0.000 -12.113) 12.420 8.648 ( -2.530 0.000 3.242) 4.113 8.721 ( 1.134 0.000 -4.846) 4.977 9.243 ( 9.167 0.000 3.544) 9.828 9.293 ( -0.194 0.000 10.446) 10.448 10.560 ( -0.707 0.000 0.021) 0.707 10.621 ( -2.131 0.000 -4.601) 5.070 10.907 ( 4.026 0.000 4.058) 5.716 11.086 ( -3.038 0.000 -2.984) 4.258 12.742 ( -1.039 0.000 3.349) 3.507 12.850 ( -0.753 0.000 -4.436) 4.499 13.137 ( 0.529 0.000 1.633) 1.717 13.179 ( 0.757 0.000 -1.734) 1.892 14.313 ( -3.330 0.000 5.192) 6.168 14.452 ( -0.369 0.000 -7.162) 7.172 14.653 ( -2.421 0.000 8.317) 8.662 14.813 ( 1.226 0.000 -5.957) 6.082 16.379 ( 2.848 0.000 5.759) 6.424 16.532 ( 4.433 0.000 -6.399) 7.784 17.369 ( -2.091 0.000 2.619) 3.352 17.383 ( 2.615 0.000 -1.557) 3.043 21.173 ( 1.823 0.000 -0.825) 2.001 21.184 ( 0.489 0.000 -0.475) 0.681 21.902 ( -1.838 0.000 6.945) 7.184 21.985 ( 5.596 0.000 -4.068) 6.918 22.766 ( 0.334 0.000 1.618) 1.652 22.799 ( 1.774 0.000 -2.178) 2.809 22.917 ( -0.591 0.000 4.026) 4.070 23.017 ( 0.355 0.000 -3.661) 3.678 23.502 ( -5.088 0.000 8.451) 9.864 23.627 ( 2.456 0.000 -7.438) 7.832 24.492 ( 0.232 0.000 5.362) 5.367 24.675 ( -0.597 0.000 -6.921) 6.947 28.300 ( 2.085 0.000 -0.142) 2.089 28.313 ( 0.074 0.000 0.027) 0.078 28.331 ( -0.342 0.000 -0.708) 0.786 28.337 ( -1.174 0.000 0.044) 1.175 28.601 ( 2.315 0.000 5.673) 6.127 28.617 ( 2.534 0.000 0.698) 2.628 28.753 ( -1.680 0.000 1.066) 1.989 28.922 ( -0.644 0.000 -7.264) 7.292 29.681 ( -2.215 0.000 1.606) 2.736 29.704 ( 0.819 0.000 -2.267) 2.410 29.833 ( 0.620 0.000 -0.402) 0.739 29.844 ( -1.746 0.000 0.569) 1.836 29.904 ( 0.471 0.000 -0.534) 0.712 29.916 ( -0.577 0.000 -0.427) 0.718 30.774 ( 3.862 0.000 2.074) 4.383 30.865 ( 1.857 0.000 -1.479) 2.374 32.159 ( 7.065 0.000 15.078) 16.651 32.425 ( 9.774 0.000 0.357) 9.781 32.785 ( -18.784 0.000 0.158) 18.784 32.863 ( -17.142 0.000 -9.467) 19.582 48.409 ( 0.491 0.000 0.494) 0.697 48.436 ( -0.292 0.000 -0.786) 0.839 48.518 ( -3.797 0.000 2.161) 4.369 48.526 ( 2.170 0.000 -3.097) 3.782 72.858 ( 0.014 0.000 0.390) 0.390 72.866 ( 0.387 0.000 -0.482) 0.618 72.911 ( 0.046 0.000 0.181) 0.187 72.918 ( -0.049 0.000 -0.245) 0.250 94.757 ( -0.043 0.000 0.912) 0.913 94.778 ( 0.915 0.000 -1.416) 1.686 95.352 ( 3.936 0.000 10.992) 11.676 95.818 ( -7.635 0.000 -14.382) 16.283 96.564 ( 1.446 0.000 3.132) 3.450 96.673 ( 0.232 0.000 -4.041) 4.048 97.447 ( -4.583 0.000 12.041) 12.884 97.597 ( 14.548 0.000 -11.660) 18.644 ======================= Grid point 151 (77/100) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -10.485 0.000 21.116) 23.576 1.565 ( -19.887 0.000 -4.039) 20.293 2.018 ( 7.926 0.000 -12.156) 14.512 2.090 ( 13.221 0.000 -6.306) 14.648 2.996 ( -5.385 0.000 13.488) 14.523 3.199 ( 4.975 0.000 -2.542) 5.587 3.316 ( 5.459 0.000 10.377) 11.725 3.361 ( -1.604 0.000 -14.257) 14.347 3.775 ( -7.533 0.000 -2.562) 7.957 3.835 ( 1.266 0.000 -1.282) 1.802 4.150 ( -5.672 0.000 -2.717) 6.289 4.202 ( 0.186 0.000 2.929) 2.935 4.213 ( -10.709 0.000 13.270) 17.052 4.465 ( -2.822 0.000 -2.469) 3.750 4.471 ( -0.066 0.000 -0.371) 0.377 4.529 ( -0.166 0.000 6.772) 6.774 4.591 ( 0.892 0.000 -1.303) 1.579 4.758 ( 1.936 0.000 -0.466) 1.992 4.892 ( -0.011 0.000 -4.000) 4.000 4.915 ( -3.572 0.000 -2.946) 4.630 5.145 ( 3.621 0.000 15.309) 15.732 5.206 ( 2.412 0.000 -8.294) 8.637 5.727 ( -4.697 0.000 -1.444) 4.914 5.785 ( 1.761 0.000 4.165) 4.522 5.964 ( 0.754 0.000 1.384) 1.576 6.007 ( 3.357 0.000 -2.812) 4.380 6.292 ( -1.358 0.000 2.780) 3.094 6.427 ( 5.375 0.000 -6.271) 8.259 6.567 ( 5.268 0.000 4.876) 7.178 6.713 ( 1.902 0.000 -11.690) 11.844 6.735 ( -7.786 0.000 -6.870) 10.384 6.778 ( 7.025 0.000 5.582) 8.973 7.057 ( -3.312 0.000 -2.548) 4.179 7.100 ( 4.766 0.000 2.150) 5.229 7.388 ( -1.193 0.000 0.192) 1.208 7.438 ( 2.011 0.000 -2.624) 3.306 7.830 ( -5.512 0.000 9.969) 11.392 8.010 ( 0.098 0.000 -5.928) 5.929 8.029 ( -0.864 0.000 5.957) 6.020 8.213 ( 4.672 0.000 -8.661) 9.840 8.630 ( -1.975 0.000 4.344) 4.772 8.720 ( 1.676 0.000 -4.236) 4.555 9.261 ( -7.055 0.000 2.393) 7.450 9.406 ( 6.136 0.000 -0.788) 6.186 10.562 ( 0.693 0.000 1.069) 1.274 10.582 ( 0.339 0.000 -2.368) 2.392 10.989 ( -4.310 0.000 -4.049) 5.913 11.013 ( 3.560 0.000 4.368) 5.635 12.764 ( 0.531 0.000 4.219) 4.253 12.817 ( 0.597 0.000 -4.257) 4.298 13.153 ( 0.042 0.000 1.165) 1.166 13.173 ( 0.064 0.000 -2.173) 2.174 14.311 ( -1.261 0.000 7.136) 7.247 14.419 ( 1.666 0.000 -5.686) 5.925 14.675 ( -1.295 0.000 8.253) 8.354 14.795 ( 1.449 0.000 -6.285) 6.450 16.422 ( -2.380 0.000 5.015) 5.551 16.516 ( -0.937 0.000 -8.359) 8.412 17.344 ( -2.173 0.000 2.403) 3.240 17.413 ( 1.540 0.000 -1.866) 2.420 21.170 ( -1.614 0.000 -0.445) 1.674 21.185 ( -0.118 0.000 -0.603) 0.615 21.886 ( -4.486 0.000 5.890) 7.404 22.032 ( 2.658 0.000 -6.075) 6.631 22.767 ( -1.011 0.000 1.014) 1.432 22.807 ( 0.642 0.000 -2.516) 2.596 22.940 ( -0.423 0.000 4.116) 4.138 22.991 ( -0.167 0.000 -3.468) 3.472 23.475 ( -3.470 0.000 7.946) 8.671 23.654 ( 5.619 0.000 -6.962) 8.946 24.543 ( 0.655 0.000 6.344) 6.378 24.611 ( -0.738 0.000 -6.662) 6.703 28.302 ( -1.553 0.000 -0.253) 1.573 28.317 ( -0.376 0.000 -0.329) 0.499 28.321 ( -0.018 0.000 0.208) 0.209 28.339 ( 1.681 0.000 -0.263) 1.701 28.627 ( -1.453 0.000 0.199) 1.466 28.665 ( 2.046 0.000 -0.562) 2.122 28.778 ( 0.873 0.000 6.734) 6.790 28.834 ( -2.730 0.000 -7.565) 8.042 29.661 ( -1.218 0.000 2.083) 2.413 29.714 ( 1.703 0.000 -1.738) 2.434 29.824 ( -0.765 0.000 0.580) 0.960 29.849 ( 1.367 0.000 -0.009) 1.367 29.901 ( -0.585 0.000 -0.291) 0.654 29.915 ( 0.834 0.000 -0.259) 0.873 30.834 ( 0.788 0.000 1.375) 1.585 30.836 ( -2.585 0.000 -4.425) 5.125 32.409 ( -6.459 0.000 3.672) 7.430 32.411 ( -8.664 0.000 -9.512) 12.866 32.585 ( 10.521 0.000 18.005) 20.854 32.775 ( 12.365 0.000 0.335) 12.369 48.420 ( -0.899 0.000 -0.563) 1.061 48.422 ( 0.376 0.000 0.668) 0.766 48.468 ( -2.823 0.000 2.611) 3.845 48.563 ( 3.442 0.000 -2.371) 4.180 72.858 ( -0.215 0.000 0.339) 0.401 72.868 ( 0.145 0.000 -0.640) 0.656 72.914 ( 0.118 0.000 0.213) 0.244 72.915 ( -0.085 0.000 -0.280) 0.293 94.755 ( -0.886 0.000 0.984) 1.324 94.778 ( 0.173 0.000 -1.329) 1.340 95.521 ( 3.427 0.000 15.140) 15.523 95.576 ( -7.716 0.000 -11.578) 13.914 96.608 ( 0.931 0.000 2.369) 2.545 96.646 ( 0.531 0.000 -4.985) 5.013 97.393 ( -8.958 0.000 9.610) 13.138 97.717 ( 7.819 0.000 -15.892) 17.711 ======================= Grid point 152 (78/100) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -10.287 0.000 18.005) 20.737 1.339 ( -13.558 0.000 22.239) 26.046 2.099 ( 7.069 0.000 -7.462) 10.279 2.407 ( 17.952 0.000 2.235) 18.091 2.978 ( -5.467 0.000 14.087) 15.111 3.179 ( -2.002 0.000 -5.286) 5.652 3.330 ( 6.064 0.000 -16.747) 17.811 3.407 ( -5.077 0.000 12.709) 13.685 3.645 ( -5.356 0.000 7.324) 9.074 3.944 ( 9.767 0.000 2.794) 10.158 4.097 ( -0.465 0.000 -0.051) 0.468 4.135 ( -5.599 0.000 15.872) 16.831 4.303 ( 3.755 0.000 7.870) 8.720 4.310 ( -9.474 0.000 0.502) 9.488 4.464 ( -0.031 0.000 2.852) 2.852 4.576 ( -0.924 0.000 8.156) 8.208 4.629 ( 2.783 0.000 0.518) 2.830 4.742 ( -5.771 0.000 -3.984) 7.013 4.802 ( 1.451 0.000 3.162) 3.479 4.881 ( 2.650 0.000 -6.726) 7.229 5.290 ( -2.724 0.000 20.874) 21.051 5.355 ( 9.504 0.000 -3.391) 10.091 5.672 ( 2.548 0.000 -6.765) 7.229 5.794 ( -4.036 0.000 3.648) 5.440 5.916 ( -3.449 0.000 -7.131) 7.921 5.974 ( -0.935 0.000 -10.484) 10.525 6.288 ( -0.541 0.000 1.434) 1.533 6.439 ( -1.312 0.000 -5.747) 5.895 6.517 ( -7.945 0.000 -6.893) 10.518 6.631 ( 1.000 0.000 -17.522) 17.550 6.734 ( 12.180 0.000 -4.938) 13.143 6.938 ( 5.591 0.000 5.552) 7.880 7.032 ( 1.888 0.000 1.824) 2.625 7.191 ( 3.273 0.000 1.682) 3.680 7.380 ( 0.523 0.000 -0.469) 0.703 7.461 ( 1.837 0.000 -1.134) 2.159 7.786 ( -6.413 0.000 9.892) 11.790 7.945 ( -2.866 0.000 -4.149) 5.043 8.071 ( 0.475 0.000 3.399) 3.432 8.274 ( 6.462 0.000 -6.197) 8.953 8.641 ( -0.537 0.000 5.977) 6.001 8.721 ( 1.150 0.000 -2.488) 2.741 9.100 ( -9.238 0.000 -1.765) 9.405 9.411 ( -2.360 0.000 -11.932) 12.163 10.589 ( 1.440 0.000 -1.123) 1.826 10.622 ( 4.247 0.000 4.532) 6.211 10.882 ( -3.744 0.000 -3.737) 5.290 11.087 ( 1.161 0.000 3.440) 3.630 12.814 ( 1.292 0.000 4.557) 4.737 12.816 ( 2.077 0.000 -3.573) 4.133 13.151 ( -0.542 0.000 -2.495) 2.553 13.155 ( -0.408 0.000 0.467) 0.621 14.361 ( 0.261 0.000 8.722) 8.726 14.437 ( 3.686 0.000 -4.015) 5.451 14.721 ( 0.641 0.000 7.006) 7.035 14.785 ( 1.906 0.000 -5.651) 5.964 16.362 ( -6.903 0.000 3.521) 7.749 16.378 ( -7.141 0.000 -8.956) 11.455 17.328 ( -0.853 0.000 1.503) 1.728 17.412 ( -0.559 0.000 -1.129) 1.260 21.126 ( -2.489 0.000 -0.131) 2.492 21.163 ( -1.627 0.000 -0.551) 1.718 21.826 ( -5.242 0.000 4.454) 6.878 21.994 ( -1.720 0.000 -7.006) 7.214 22.746 ( -1.811 0.000 0.712) 1.946 22.785 ( -0.758 0.000 -3.095) 3.187 22.952 ( -1.156 0.000 3.916) 4.083 22.976 ( 0.925 0.000 -2.761) 2.912 23.481 ( -2.200 0.000 8.967) 9.233 23.726 ( 7.003 0.000 -8.711) 11.177 24.569 ( 1.014 0.000 -5.637) 5.728 24.591 ( -0.654 0.000 6.331) 6.365 28.270 ( -1.266 0.000 -0.566) 1.387 28.309 ( -0.307 0.000 0.072) 0.316 28.326 ( 0.068 0.000 0.639) 0.643 28.361 ( 0.899 0.000 -0.574) 1.067 28.584 ( -2.221 0.000 -1.289) 2.568 28.621 ( -4.346 0.000 -7.102) 8.326 28.791 ( 1.801 0.000 0.350) 1.835 28.838 ( 0.017 0.000 7.010) 7.010 29.664 ( -0.201 0.000 2.489) 2.498 29.741 ( 1.994 0.000 -1.183) 2.319 29.820 ( -0.061 0.000 0.438) 0.442 29.884 ( 2.110 0.000 0.213) 2.121 29.895 ( 0.068 0.000 0.225) 0.235 29.926 ( 0.475 0.000 -0.481) 0.676 30.731 ( -4.488 0.000 -3.951) 5.979 30.818 ( -2.513 0.000 -0.503) 2.563 32.202 ( -11.241 0.000 2.462) 11.508 32.218 ( -3.329 0.000 -10.787) 11.289 33.074 ( 15.047 0.000 6.229) 16.285 33.164 ( 29.890 0.000 14.432) 33.192 48.400 ( -0.806 0.000 0.295) 0.858 48.430 ( -0.016 0.000 0.537) 0.537 48.457 ( -0.399 0.000 3.310) 3.334 48.611 ( 2.998 0.000 -2.119) 3.672 72.855 ( -0.299 0.000 0.232) 0.379 72.861 ( -0.407 0.000 -0.659) 0.775 72.913 ( 0.043 0.000 -0.162) 0.168 72.917 ( 0.072 0.000 0.153) 0.170 94.739 ( -1.415 0.000 1.118) 1.803 94.767 ( -0.281 0.000 -1.369) 1.397 95.398 ( -2.906 0.000 -7.792) 8.317 95.649 ( -3.076 0.000 17.905) 18.168 96.630 ( -0.219 0.000 2.542) 2.551 96.646 ( 3.819 0.000 -5.211) 6.460 97.256 ( -10.185 0.000 4.929) 11.315 97.661 ( -1.993 0.000 -16.358) 16.479 ======================= Grid point 153 (79/100) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -11.773 0.000 21.531) 24.539 1.349 ( -1.475 0.000 15.422) 15.492 2.157 ( -0.161 0.000 3.482) 3.486 2.635 ( 9.838 0.000 -18.434) 20.895 3.019 ( -1.061 0.000 16.055) 16.090 3.174 ( 0.969 0.000 2.135) 2.344 3.323 ( 3.375 0.000 3.158) 4.622 3.382 ( -6.240 0.000 17.929) 18.984 3.706 ( 7.622 0.000 -0.897) 7.675 3.949 ( -9.856 0.000 -4.982) 11.044 4.133 ( -5.157 0.000 11.308) 12.428 4.163 ( 11.099 0.000 -5.079) 12.206 4.324 ( 4.278 0.000 8.118) 9.177 4.392 ( 0.580 0.000 0.376) 0.691 4.600 ( -2.564 0.000 8.571) 8.946 4.610 ( 6.409 0.000 21.033) 21.988 4.683 ( 1.204 0.000 2.774) 3.024 4.722 ( 5.364 0.000 3.721) 6.529 4.862 ( 1.138 0.000 -2.191) 2.468 4.872 ( 1.553 0.000 0.947) 1.819 5.312 ( -7.320 0.000 10.985) 13.200 5.397 ( -1.125 0.000 -5.742) 5.851 5.666 ( -4.578 0.000 -10.226) 11.204 5.696 ( 2.734 0.000 -9.350) 9.742 5.824 ( -6.742 0.000 11.361) 13.210 5.911 ( 5.909 0.000 -13.301) 14.555 6.216 ( -11.628 0.000 -10.126) 15.419 6.296 ( 0.333 0.000 0.884) 0.945 6.427 ( -2.566 0.000 -1.567) 3.006 6.534 ( 4.894 0.000 -25.540) 26.005 6.949 ( 14.611 0.000 -9.336) 17.339 7.044 ( 0.052 0.000 6.072) 6.072 7.153 ( 5.165 0.000 10.359) 11.575 7.253 ( 2.135 0.000 2.544) 3.321 7.420 ( 5.934 0.000 -1.893) 6.228 7.496 ( 1.904 0.000 1.984) 2.750 7.725 ( -6.879 0.000 8.829) 11.192 7.845 ( -3.769 0.000 -6.324) 7.362 8.067 ( -2.701 0.000 0.913) 2.851 8.322 ( 3.288 0.000 -10.901) 11.387 8.684 ( -0.349 0.000 7.441) 7.449 8.744 ( 2.566 0.000 -0.331) 2.587 8.924 ( -7.020 0.000 -2.095) 7.326 9.151 ( -12.074 0.000 -17.422) 21.197 10.614 ( 1.594 0.000 -0.323) 1.626 10.728 ( 0.967 0.000 -1.964) 2.189 10.861 ( 5.151 0.000 4.773) 7.023 11.102 ( -1.594 0.000 2.280) 2.782 12.843 ( 3.016 0.000 -2.740) 4.075 12.857 ( -0.316 0.000 3.600) 3.614 13.127 ( -0.061 0.000 -1.942) 1.943 13.145 ( -0.711 0.000 -0.117) 0.720 14.419 ( -0.885 0.000 8.534) 8.580 14.493 ( 4.621 0.000 -3.371) 5.719 14.784 ( 1.194 0.000 3.304) 3.513 14.791 ( 2.452 0.000 -4.272) 4.926 16.169 ( -7.873 0.000 -3.758) 8.724 16.231 ( -7.931 0.000 1.477) 8.067 17.333 ( 0.563 0.000 0.702) 0.900 17.384 ( -1.740 0.000 0.033) 1.740 21.088 ( -1.272 0.000 0.212) 1.290 21.125 ( -1.696 0.000 -0.706) 1.837 21.767 ( -3.570 0.000 3.616) 5.081 21.891 ( -3.886 0.000 -4.975) 6.313 22.713 ( -2.089 0.000 1.088) 2.355 22.749 ( -0.374 0.000 -3.207) 3.229 22.954 ( -1.341 0.000 3.448) 3.700 22.984 ( 1.642 0.000 -2.313) 2.836 23.510 ( -2.108 0.000 10.521) 10.730 23.776 ( 5.173 0.000 -11.007) 12.162 24.576 ( 3.476 0.000 -4.705) 5.850 24.592 ( -3.650 0.000 5.273) 6.413 28.253 ( -0.112 0.000 -0.380) 0.396 28.301 ( -0.745 0.000 -0.219) 0.777 28.332 ( 0.071 0.000 0.853) 0.856 28.366 ( 0.185 0.000 -0.907) 0.925 28.495 ( -3.244 0.000 -3.600) 4.847 28.530 ( -2.394 0.000 -1.424) 2.785 28.849 ( 3.080 0.000 0.995) 3.237 28.870 ( -1.128 0.000 5.371) 5.488 29.684 ( 0.268 0.000 2.650) 2.663 29.761 ( 0.794 0.000 -1.545) 1.737 29.832 ( 1.065 0.000 0.962) 1.435 29.907 ( 0.681 0.000 0.667) 0.953 29.921 ( -0.050 0.000 -0.284) 0.288 29.923 ( 1.270 0.000 -0.949) 1.585 30.646 ( -2.015 0.000 -1.173) 2.332 30.749 ( -3.490 0.000 -1.859) 3.955 32.046 ( -7.587 0.000 4.136) 8.641 32.126 ( 0.496 0.000 -9.353) 9.366 33.392 ( 11.446 0.000 10.707) 15.674 33.734 ( 22.010 0.000 -3.570) 22.298 48.399 ( 0.364 0.000 0.290) 0.465 48.427 ( -0.514 0.000 0.203) 0.553 48.498 ( 1.890 0.000 3.944) 4.373 48.637 ( 1.210 0.000 -2.350) 2.643 72.848 ( -0.476 0.000 -0.170) 0.506 72.850 ( -0.294 0.000 0.085) 0.306 72.914 ( 0.176 0.000 -0.062) 0.186 72.918 ( -0.031 0.000 0.073) 0.080 94.722 ( -1.162 0.000 1.233) 1.694 94.752 ( -0.146 0.000 -1.523) 1.530 95.409 ( 9.665 0.000 -4.976) 10.871 95.625 ( -11.833 0.000 16.162) 20.030 96.651 ( 0.907 0.000 3.285) 3.408 96.721 ( 5.879 0.000 -2.475) 6.379 97.112 ( -5.582 0.000 0.287) 5.589 97.434 ( -11.251 0.000 -10.471) 15.369 ======================= Grid point 154 (80/100) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -2.061 29.903 11.171) 31.987 1.657 ( 3.870 15.246 14.003) 21.060 2.279 ( -4.992 14.093 4.700) 15.672 2.599 ( 5.801 -0.670 -22.334) 23.085 3.090 ( -0.012 1.221 7.861) 7.956 3.184 ( -0.948 2.007 -2.947) 3.689 3.441 ( 3.163 -4.858 13.578) 14.764 3.632 ( 1.328 9.674 19.575) 21.876 3.693 ( -0.266 -6.175 -9.748) 11.542 3.895 ( 3.148 2.252 -4.373) 5.840 3.999 ( 1.277 -5.374 3.823) 6.718 4.092 ( -0.560 -5.868 -4.459) 7.391 4.431 ( -1.046 -0.562 5.271) 5.403 4.482 ( 5.204 -0.874 0.398) 5.292 4.544 ( -0.689 -6.920 3.887) 7.967 4.614 ( 0.211 -5.537 -1.864) 5.846 4.830 ( -1.485 3.895 5.367) 6.796 4.910 ( 0.401 -0.130 8.078) 8.089 4.949 ( 6.347 5.424 13.626) 15.980 5.091 ( 5.302 6.166 4.540) 9.314 5.200 ( -4.982 1.044 -1.686) 5.362 5.336 ( -1.172 6.428 -16.911) 18.130 5.591 ( -0.315 0.405 -1.778) 1.850 5.653 ( 0.895 0.013 -8.733) 8.779 5.746 ( -1.271 -6.012 13.652) 14.972 5.887 ( -9.687 -3.715 -4.251) 11.212 5.996 ( 2.523 -0.304 -4.959) 5.572 6.231 ( -1.783 -4.213 -12.759) 13.555 6.412 ( -1.073 4.799 -0.227) 4.923 6.498 ( 5.138 2.809 -13.446) 14.666 7.019 ( -10.352 2.399 5.479) 11.956 7.124 ( 5.296 -1.556 -3.681) 6.634 7.264 ( 2.898 0.360 7.281) 7.845 7.330 ( 1.305 1.875 1.248) 2.603 7.527 ( 4.568 -3.967 6.822) 9.119 7.599 ( 0.843 1.280 11.350) 11.453 7.688 ( -4.304 -0.452 -8.112) 9.195 7.770 ( -0.238 4.854 -4.329) 6.509 7.986 ( -2.640 -1.046 -2.430) 3.737 8.119 ( 1.729 -9.193 -14.301) 17.088 8.683 ( 0.423 -1.727 5.468) 5.750 8.757 ( 0.612 -1.730 -1.278) 2.236 8.856 ( 0.428 0.352 1.010) 1.152 8.917 ( -6.172 2.121 -5.906) 8.801 10.651 ( 1.674 0.669 0.826) 1.983 10.690 ( -2.003 0.711 -3.091) 3.751 10.962 ( 5.651 -5.641 3.894) 8.884 11.007 ( -3.286 -4.186 -0.837) 5.388 12.871 ( -2.815 2.130 2.273) 4.198 12.910 ( 3.004 1.883 -1.819) 3.985 13.145 ( 1.362 1.335 -0.233) 1.922 13.156 ( -1.154 2.120 -1.021) 2.621 14.431 ( -2.615 -0.343 7.647) 8.089 14.553 ( 3.416 0.459 -4.888) 5.981 14.733 ( -4.459 -3.117 3.619) 6.534 14.798 ( 2.626 -1.559 -3.061) 4.324 16.137 ( 2.613 1.768 0.682) 3.228 16.153 ( -2.057 2.544 -1.117) 3.457 17.355 ( -1.790 0.164 0.548) 1.880 17.355 ( 1.195 0.121 0.512) 1.306 21.143 ( 0.174 5.238 1.280) 5.395 21.181 ( 0.578 6.541 -2.775) 7.128 21.769 ( -0.444 1.594 3.713) 4.065 21.830 ( -1.141 1.514 -2.487) 3.127 22.698 ( -0.968 0.815 1.227) 1.762 22.729 ( 0.569 -0.204 -1.819) 1.917 22.967 ( -0.510 1.224 1.672) 2.134 23.002 ( 0.975 -0.102 -1.918) 2.155 23.562 ( -2.752 2.039 10.488) 11.033 23.767 ( 2.067 0.024 -10.218) 10.425 24.501 ( -4.615 -3.250 4.671) 7.327 24.591 ( 4.761 -3.355 -4.420) 7.312 28.254 ( 0.519 -0.712 0.220) 0.908 28.263 ( -0.637 -0.771 -0.677) 1.207 28.351 ( -0.191 0.784 0.486) 0.942 28.362 ( 0.204 0.277 -0.695) 0.775 28.481 ( 0.111 1.070 0.143) 1.086 28.495 ( -0.791 1.402 -1.179) 1.995 28.837 ( -1.575 -3.010 2.896) 4.463 28.869 ( 2.225 -3.385 -0.316) 4.063 29.710 ( 0.139 0.829 2.535) 2.671 29.758 ( -0.103 0.376 -2.297) 2.330 29.865 ( 0.315 -0.337 0.720) 0.856 29.882 ( -0.404 -0.720 -1.173) 1.434 29.968 ( -0.249 3.605 2.415) 4.346 30.027 ( 1.263 7.002 -3.780) 8.057 30.624 ( -1.875 -0.430 4.778) 5.151 30.730 ( 0.962 3.346 -6.014) 6.949 31.963 ( -3.923 -0.574 5.196) 6.536 32.080 ( 2.635 -1.767 -6.777) 7.483 33.564 ( 1.395 -3.968 11.914) 12.634 33.767 ( -1.541 -7.822 -8.518) 11.667 48.406 ( -0.165 -0.215 1.026) 1.062 48.426 ( 0.397 0.532 -0.927) 1.140 48.548 ( 1.324 -1.202 3.199) 3.665 48.609 ( -0.633 -1.101 -3.028) 3.284 72.845 ( 0.116 -0.036 0.080) 0.145 72.846 ( -0.054 -0.005 -0.094) 0.108 72.914 ( -0.145 -0.247 0.012) 0.287 72.914 ( 0.158 -0.264 -0.023) 0.308 94.739 ( -0.644 2.105 1.324) 2.569 94.767 ( 0.903 2.137 -1.629) 2.835 95.420 ( -13.083 -3.575 9.834) 16.752 95.606 ( 19.152 -5.749 -8.964) 21.913 96.695 ( 0.917 -1.966 2.790) 3.534 96.745 ( 0.828 -1.295 -2.422) 2.868 97.073 ( -0.978 -3.860 2.111) 4.507 97.095 ( -5.161 -3.401 -0.330) 6.190 ======================= Grid point 155 (81/100) ======================= q-point: ( 0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.260 28.948 5.463) 29.460 1.880 ( 12.672 16.529 -1.098) 20.856 2.236 ( -4.783 10.468 12.732) 17.163 2.535 ( 2.750 2.250 -21.690) 21.979 3.122 ( -1.096 2.074 1.643) 2.865 3.189 ( 2.595 4.137 1.605) 5.140 3.527 ( -4.368 -4.180 4.410) 7.484 3.571 ( -2.602 -2.315 -14.303) 14.721 3.737 ( -0.442 4.813 9.886) 11.005 3.936 ( 7.531 -2.020 -6.684) 10.270 4.040 ( -0.585 -4.698 -4.326) 6.413 4.090 ( 4.120 -4.888 2.283) 6.788 4.372 ( -4.857 -0.227 -1.116) 4.989 4.496 ( -3.753 -3.114 -3.228) 5.848 4.554 ( -1.367 -6.959 -0.567) 7.115 4.587 ( -0.049 -2.863 -0.377) 2.889 4.819 ( -3.746 2.070 1.521) 4.543 4.929 ( -1.034 4.372 4.957) 6.690 5.057 ( -1.312 8.288 -12.503) 15.058 5.142 ( 0.767 -0.687 1.160) 1.551 5.190 ( 1.541 -0.325 -2.927) 3.323 5.297 ( 7.998 7.079 3.001) 11.095 5.589 ( 1.221 1.404 3.050) 3.573 5.621 ( -8.022 -5.803 -6.618) 11.909 5.737 ( 3.529 -1.892 1.549) 4.294 5.912 ( 3.848 -4.942 21.363) 22.262 6.022 ( -0.836 -3.544 4.344) 5.668 6.128 ( 2.248 0.191 -11.837) 12.050 6.411 ( 2.280 4.631 -1.847) 5.482 6.520 ( 2.756 4.012 -6.355) 8.005 6.822 ( -13.046 4.683 7.411) 15.717 7.168 ( 1.033 -1.359 -3.055) 3.499 7.214 ( -8.666 -1.586 1.799) 8.992 7.334 ( 0.007 -1.156 -2.349) 2.618 7.441 ( -10.780 7.856 -3.321) 13.746 7.575 ( -3.803 -0.727 -3.119) 4.972 7.679 ( 3.312 -0.984 6.877) 7.697 7.900 ( 9.160 -1.518 -0.016) 9.285 7.980 ( 1.856 -3.743 4.900) 6.439 8.160 ( 8.321 -3.314 -8.700) 12.487 8.703 ( -2.062 -1.315 1.432) 2.834 8.765 ( 1.577 -2.807 -2.243) 3.924 8.848 ( 0.428 -0.298 2.038) 2.103 8.933 ( 5.271 1.341 6.893) 8.780 10.629 ( -2.151 0.015 -1.697) 2.740 10.698 ( 1.664 1.379 1.391) 2.570 10.887 ( -5.242 -4.717 -3.083) 7.696 11.085 ( 3.699 -4.146 0.118) 5.557 12.817 ( -3.731 1.756 1.837) 4.514 12.941 ( 1.172 2.069 -2.228) 3.258 13.127 ( -0.866 1.359 -0.360) 1.651 13.173 ( 1.366 1.764 -0.294) 2.250 14.410 ( -4.221 -0.006 5.432) 6.879 14.563 ( 1.368 0.237 -6.175) 6.329 14.667 ( -5.067 -2.202 6.190) 8.297 14.821 ( 1.752 -1.176 -2.830) 3.530 16.131 ( 2.653 0.808 0.324) 2.792 16.288 ( 9.582 1.121 -1.572) 9.775 17.337 ( -0.322 0.197 0.428) 0.571 17.382 ( 0.986 0.513 0.950) 1.462 21.162 ( 0.951 5.066 0.870) 5.227 21.189 ( 2.236 6.068 -2.626) 6.980 21.808 ( 1.342 1.274 4.176) 4.567 21.839 ( 3.244 1.595 -1.171) 3.799 22.703 ( 0.421 0.680 1.780) 1.952 22.742 ( 1.820 -0.117 -1.229) 2.199 22.961 ( -1.050 1.951 1.174) 2.508 23.012 ( 1.404 -0.599 -2.052) 2.558 23.569 ( -4.232 1.418 10.365) 11.285 23.720 ( 0.297 0.347 -8.985) 8.997 24.455 ( -3.185 -2.541 4.265) 5.899 24.649 ( 4.278 -3.715 -4.770) 7.406 28.247 ( 0.029 -0.457 -0.278) 0.536 28.278 ( 1.118 -1.168 0.248) 1.636 28.349 ( -0.272 0.159 0.394) 0.504 28.361 ( 0.015 0.625 -0.547) 0.831 28.470 ( -0.091 1.391 0.878) 1.648 28.518 ( 2.038 0.675 0.283) 2.165 28.814 ( -2.312 -2.650 1.340) 3.763 28.896 ( 1.294 -4.445 -1.871) 4.993 29.722 ( -0.484 0.285 1.041) 1.183 29.754 ( 1.196 1.567 -0.975) 2.199 29.849 ( -1.194 -0.659 -0.219) 1.381 29.890 ( 0.516 -0.261 0.310) 0.656 29.956 ( -2.154 3.738 1.193) 4.476 30.012 ( -0.134 5.925 -3.580) 6.924 30.631 ( -0.454 -0.254 4.513) 4.543 30.757 ( 4.749 3.039 -3.147) 6.457 31.956 ( -1.303 -0.256 6.713) 6.843 32.117 ( 5.495 -1.751 -4.501) 7.316 33.512 ( -14.713 -5.067 -0.883) 15.586 33.561 ( -12.442 -3.656 2.371) 13.183 48.402 ( -0.464 0.046 0.366) 0.593 48.436 ( 0.954 0.374 -0.708) 1.245 48.566 ( -1.187 -0.667 -3.602) 3.851 48.575 ( -0.730 -1.391 2.546) 2.992 72.845 ( 0.166 -0.108 -0.027) 0.200 72.854 ( 0.562 0.054 -0.102) 0.574 72.910 ( -0.243 -0.305 0.008) 0.390 72.917 ( 0.077 -0.250 -0.037) 0.264 94.737 ( -0.209 1.200 0.938) 1.537 94.782 ( 1.561 2.770 -1.493) 3.512 95.265 ( -8.011 -2.413 6.115) 10.363 95.872 ( 15.765 -7.760 -15.793) 23.625 96.647 ( -7.314 -2.424 2.679) 8.157 96.720 ( -1.246 -0.458 -3.558) 3.798 97.063 ( 7.595 -2.152 2.564) 8.300 97.212 ( 5.479 -4.739 5.444) 9.062 ======================= Grid point 156 (82/100) ======================= q-point: ( 0.29 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.840 23.921 -0.285) 23.938 2.038 ( 10.434 19.429 -17.933) 28.425 2.272 ( -3.097 1.606 5.894) 6.849 2.397 ( -3.375 8.649 -11.181) 14.533 3.049 ( -8.002 2.516 2.060) 8.638 3.262 ( 1.127 8.863 5.019) 10.248 3.325 ( -4.087 11.001 -6.798) 13.563 3.554 ( 3.272 -8.545 -6.947) 11.489 3.770 ( 0.328 -0.771 -1.559) 1.770 3.991 ( -1.837 -1.743 -5.350) 5.919 4.039 ( 3.220 -8.410 -4.381) 10.014 4.153 ( -1.148 -7.418 -1.296) 7.618 4.286 ( 1.688 -7.824 -1.112) 8.081 4.405 ( 1.662 0.277 -5.074) 5.347 4.511 ( -1.117 -2.669 -2.622) 3.904 4.560 ( -3.541 -1.520 1.751) 4.232 4.747 ( -5.412 1.383 2.311) 6.045 4.861 ( -5.411 1.871 -23.200) 23.896 4.962 ( -1.085 9.114 4.929) 10.419 5.001 ( -0.419 6.939 -9.276) 11.592 5.263 ( -8.412 -2.213 3.960) 9.558 5.417 ( 0.680 -6.750 6.264) 9.234 5.539 ( 5.879 -2.463 -2.540) 6.861 5.714 ( 7.223 4.773 6.961) 11.109 5.825 ( 2.983 3.719 9.880) 10.970 5.953 ( -3.354 -3.152 -10.329) 11.309 6.138 ( 3.554 -3.401 22.016) 22.558 6.227 ( 6.279 -3.865 5.249) 9.051 6.445 ( -4.658 2.299 1.945) 5.546 6.494 ( 3.846 9.171 2.107) 10.165 6.729 ( 0.606 5.208 -1.498) 5.453 7.051 ( -4.885 0.026 -1.896) 5.240 7.116 ( -5.860 2.093 -2.450) 6.688 7.277 ( -3.291 4.717 -3.713) 6.846 7.333 ( 0.597 -4.699 -0.175) 4.740 7.493 ( -2.544 0.549 -2.734) 3.775 7.777 ( 0.837 -1.463 8.656) 8.818 7.985 ( 4.240 3.144 -6.003) 7.993 8.064 ( -0.491 -5.487 7.308) 9.152 8.235 ( 4.964 -0.506 -9.236) 10.497 8.663 ( -2.921 -1.368 2.149) 3.875 8.731 ( -0.584 -2.128 -5.104) 5.560 8.966 ( 8.089 -4.903 3.563) 10.108 9.117 ( 4.928 -1.700 12.540) 13.580 10.582 ( -1.763 -0.306 -0.837) 1.976 10.686 ( -3.139 -1.614 -3.537) 4.997 10.834 ( 1.971 -0.173 1.300) 2.367 11.116 ( 0.215 -2.272 -1.253) 2.604 12.769 ( -2.621 1.215 2.214) 3.640 12.916 ( -1.285 1.455 -3.784) 4.253 13.128 ( 0.521 1.139 1.140) 1.694 13.189 ( 0.867 1.601 -0.975) 2.065 14.360 ( -4.302 0.364 4.488) 6.227 14.518 ( -0.976 0.111 -6.374) 6.449 14.641 ( -2.857 -0.959 7.177) 7.784 14.823 ( 1.252 -0.666 -4.672) 4.882 16.232 ( 5.928 -1.194 2.683) 6.615 16.433 ( 6.726 -1.197 -3.098) 7.501 17.351 ( 1.602 0.639 0.021) 1.725 17.401 ( -0.021 1.243 1.445) 1.906 21.189 ( 1.211 4.470 0.806) 4.701 21.220 ( 2.644 5.121 -2.622) 6.332 21.872 ( 1.544 0.937 5.273) 5.574 21.912 ( 4.932 1.411 -1.547) 5.358 22.734 ( 1.057 0.215 2.245) 2.491 22.775 ( 2.401 0.374 -1.113) 2.673 22.948 ( -1.227 2.286 1.487) 2.990 23.022 ( 1.263 -0.321 -2.497) 2.817 23.547 ( -4.989 0.837 8.902) 10.238 23.664 ( -0.079 0.536 -7.268) 7.288 24.445 ( -1.054 -1.989 4.256) 4.814 24.672 ( 1.876 -3.599 -5.818) 7.094 28.260 ( 1.400 -0.438 -0.114) 1.471 28.296 ( 0.695 -1.115 0.008) 1.314 28.344 ( -0.550 -0.043 -0.051) 0.554 28.353 ( -0.552 0.280 -0.301) 0.689 28.506 ( 2.128 0.284 3.584) 4.178 28.561 ( 2.087 -0.233 0.556) 2.172 28.772 ( -2.554 -2.252 0.248) 3.414 28.890 ( 0.053 -5.474 -3.610) 6.557 29.716 ( -0.377 1.026 0.490) 1.198 29.775 ( 1.086 3.277 -0.553) 3.496 29.833 ( -0.408 0.129 0.267) 0.505 29.889 ( -0.846 0.857 0.355) 1.256 29.921 ( -1.560 1.555 0.119) 2.206 29.974 ( -1.158 4.697 -3.314) 5.864 30.682 ( 2.059 0.276 5.337) 5.728 30.841 ( 5.563 2.746 -2.514) 6.694 32.009 ( 1.482 0.266 9.248) 9.369 32.228 ( 8.554 -1.755 -1.780) 8.912 33.148 ( -19.241 -2.065 -3.281) 19.628 33.263 ( -20.222 -2.474 -0.723) 20.386 48.401 ( 0.095 0.156 0.408) 0.447 48.444 ( 0.473 0.309 -0.920) 1.080 48.527 ( 0.032 -0.208 -3.545) 3.551 48.558 ( -2.672 -1.008 2.217) 3.615 72.851 ( 0.410 -0.093 0.074) 0.427 72.862 ( 0.393 0.113 -0.156) 0.438 72.906 ( -0.123 -0.363 0.041) 0.386 72.917 ( -0.050 -0.298 -0.089) 0.315 94.746 ( 0.387 0.551 0.925) 1.144 94.799 ( 1.197 2.679 -1.540) 3.314 95.226 ( -0.714 -2.165 6.669) 7.048 95.924 ( 1.500 -7.959 -16.785) 18.637 96.554 ( -3.071 0.753 4.380) 5.402 96.691 ( 0.443 -0.120 -3.406) 3.437 97.288 ( 14.310 -5.283 -3.763) 15.711 97.332 ( 1.494 -5.773 8.848) 10.670 ======================= Grid point 157 (83/100) ======================= q-point: ( 0.43 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.756 19.038 -1.206) 19.156 2.001 ( -8.072 6.487 -17.222) 20.095 2.134 ( -3.385 10.112 -8.349) 13.543 2.238 ( -2.654 15.012 -10.070) 18.271 3.027 ( -1.339 6.619 20.241) 21.337 3.292 ( 1.625 12.546 1.978) 12.804 3.319 ( 2.697 10.832 -2.308) 11.399 3.528 ( -1.486 -1.561 -9.418) 9.662 3.730 ( -0.193 -7.149 -6.665) 9.776 3.828 ( -7.160 -9.392 -9.372) 15.077 4.045 ( 2.252 -6.570 -0.845) 6.997 4.115 ( -2.490 -9.793 0.381) 10.112 4.311 ( -6.353 -8.026 5.258) 11.508 4.414 ( -1.996 -3.443 -6.082) 7.268 4.532 ( 3.846 0.309 3.754) 5.383 4.568 ( 7.553 5.978 -2.050) 9.848 4.639 ( -4.263 4.165 -0.281) 5.967 4.693 ( -0.717 -0.267 -8.328) 8.363 4.937 ( -1.490 2.101 -1.094) 2.799 4.995 ( -4.154 8.350 4.419) 10.320 5.101 ( -2.810 0.190 1.817) 3.352 5.385 ( -4.630 -3.215 -9.217) 10.804 5.603 ( 2.077 -4.234 3.700) 5.994 5.793 ( -4.043 -2.712 -6.251) 7.923 5.950 ( 5.040 3.845 8.696) 10.762 5.973 ( 6.815 6.014 6.687) 11.284 6.321 ( 4.163 -2.705 4.913) 6.985 6.331 ( -0.351 0.327 5.984) 6.003 6.412 ( 1.074 -0.024 10.035) 10.093 6.643 ( 8.838 4.404 -0.565) 9.891 6.735 ( 0.977 2.208 -3.514) 4.264 6.940 ( -5.645 2.182 -6.759) 9.073 7.067 ( 2.424 4.582 2.519) 5.764 7.195 ( -3.653 3.583 -2.866) 5.865 7.364 ( 2.381 -3.839 -0.274) 4.526 7.435 ( -1.909 0.107 -2.094) 2.835 7.828 ( -2.039 -1.047 9.772) 10.037 8.002 ( 1.347 0.883 -3.511) 3.863 8.059 ( -3.048 -1.213 3.156) 4.552 8.221 ( 2.484 -0.121 -12.005) 12.260 8.630 ( -2.546 -1.419 3.581) 4.617 8.709 ( 1.750 -1.191 -5.135) 5.554 9.156 ( 8.752 -7.019 2.977) 11.607 9.226 ( -1.782 -6.255 8.312) 10.554 10.555 ( -0.663 -0.436 -0.020) 0.794 10.605 ( -1.597 -1.294 -3.834) 4.350 10.921 ( 4.138 1.206 3.868) 5.791 11.081 ( -2.518 -0.625 -2.342) 3.495 12.753 ( -0.913 0.982 2.989) 3.276 12.861 ( -1.109 0.789 -4.436) 4.640 13.150 ( 0.551 1.142 1.595) 2.038 13.193 ( 0.437 1.204 -1.561) 2.020 14.322 ( -3.159 0.861 5.398) 6.313 14.458 ( -0.308 0.541 -6.387) 6.418 14.648 ( -2.004 -0.419 7.616) 7.886 14.808 ( 1.244 -0.542 -6.132) 6.280 16.353 ( 3.519 -2.087 4.223) 5.880 16.490 ( 2.212 -3.627 -4.621) 6.278 17.383 ( 0.234 1.360 1.418) 1.979 17.404 ( 0.708 1.536 -0.263) 1.711 21.209 ( -0.083 3.489 1.347) 3.740 21.246 ( 2.002 4.785 -2.964) 5.974 21.916 ( -1.578 1.193 6.462) 6.758 21.993 ( 5.186 0.653 -3.809) 6.468 22.763 ( 0.219 -0.038 2.183) 2.195 22.808 ( 1.927 0.788 -1.922) 2.833 22.942 ( -0.781 2.100 2.869) 3.640 23.021 ( 0.604 0.270 -3.083) 3.153 23.512 ( -4.585 0.989 7.821) 9.120 23.630 ( 1.910 0.263 -6.502) 6.781 24.471 ( 0.325 -1.858 4.905) 5.255 24.641 ( -0.326 -3.036 -6.639) 7.307 28.293 ( 1.810 -0.606 -0.069) 1.910 28.307 ( 0.513 -0.562 -0.002) 0.761 28.328 ( -0.784 -0.141 -0.260) 0.838 28.337 ( -0.891 0.015 -0.293) 0.938 28.581 ( 1.903 -1.517 4.549) 5.159 28.604 ( 2.164 -1.115 0.439) 2.474 28.731 ( -1.747 -2.008 0.801) 2.780 28.848 ( -1.296 -5.794 -5.094) 7.823 29.716 ( -0.751 2.466 2.121) 3.339 29.777 ( 0.300 4.082 -2.249) 4.670 29.842 ( 0.932 2.093 0.767) 2.416 29.877 ( -0.493 1.637 0.093) 1.713 29.900 ( -0.469 -0.078 -0.348) 0.589 29.932 ( -0.874 2.848 -2.693) 4.016 30.762 ( 1.404 -0.014 6.430) 6.581 30.911 ( 4.358 3.107 -5.581) 7.733 32.164 ( 7.249 0.537 13.879) 15.667 32.404 ( 9.307 -1.938 0.838) 9.543 32.781 ( -17.342 -0.309 -0.953) 17.371 32.856 ( -16.779 -0.703 -8.098) 18.645 48.409 ( 0.241 0.089 0.842) 0.880 48.441 ( -0.094 0.350 -1.118) 1.176 48.512 ( -3.276 -0.432 2.072) 3.901 48.525 ( 1.897 -0.112 -2.887) 3.456 72.858 ( 0.190 0.071 0.242) 0.316 72.866 ( 0.209 0.007 -0.321) 0.383 72.907 ( 0.102 -0.349 0.121) 0.383 72.914 ( -0.131 -0.393 -0.174) 0.449 94.761 ( 0.343 0.655 1.212) 1.420 94.802 ( 0.338 2.064 -1.713) 2.704 95.318 ( 3.629 -2.974 10.158) 11.189 95.752 ( -6.720 -6.005 -13.658) 16.363 96.576 ( 1.372 1.101 2.871) 3.367 96.675 ( 0.297 0.203 -3.708) 3.725 97.379 ( -3.514 -5.842 9.905) 12.025 97.499 ( 11.864 -8.262 -9.026) 17.043 ======================= Grid point 158 (84/100) ======================= q-point: (-0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -19.816 4.448 0.463) 20.314 1.752 ( -3.491 21.930 10.264) 24.463 2.126 ( 8.644 6.869 -2.804) 11.392 2.245 ( 7.331 19.266 -11.099) 23.411 3.131 ( -3.327 10.135 16.104) 19.316 3.350 ( -0.638 4.464 4.962) 6.705 3.371 ( 6.341 8.309 -9.351) 14.025 3.404 ( -1.982 5.461 -7.917) 9.820 3.645 ( -6.197 -8.661 -0.162) 10.651 3.739 ( 3.501 -7.927 -1.484) 8.792 4.029 ( -4.673 -7.220 0.892) 8.647 4.095 ( -2.498 -8.728 4.343) 10.064 4.211 ( -4.480 -1.503 7.665) 9.005 4.336 ( -4.526 -6.196 3.831) 8.576 4.548 ( -6.519 3.091 0.208) 7.218 4.584 ( -1.702 -1.874 1.532) 2.959 4.659 ( 2.744 2.054 -6.852) 7.661 4.695 ( 4.475 3.031 -2.067) 5.787 4.849 ( -5.537 3.155 5.330) 8.308 5.061 ( 7.643 -1.634 3.453) 8.544 5.127 ( -2.002 5.751 0.043) 6.090 5.263 ( 2.882 3.130 -3.324) 5.399 5.622 ( -2.810 -4.316 3.752) 6.372 5.753 ( 3.219 -3.558 -4.699) 6.716 6.015 ( -1.200 3.849 3.057) 5.060 6.094 ( 2.520 4.197 -3.788) 6.190 6.327 ( -1.086 1.731 0.567) 2.121 6.410 ( 5.457 -0.916 -2.927) 6.259 6.559 ( 5.407 -1.241 8.158) 9.865 6.669 ( -0.587 -1.890 -11.036) 11.212 6.776 ( -6.536 3.050 -6.851) 9.948 6.828 ( 7.096 4.238 3.359) 8.922 7.105 ( -3.542 3.725 -1.616) 5.388 7.149 ( 3.418 3.854 1.748) 5.440 7.383 ( -1.273 -0.785 -1.537) 2.145 7.416 ( 2.338 -2.121 -0.829) 3.264 7.838 ( -4.083 1.009 10.416) 11.233 8.002 ( -2.026 -0.316 -4.486) 4.932 8.018 ( 0.247 -0.980 4.435) 4.548 8.211 ( 4.644 -0.481 -9.086) 10.216 8.616 ( -1.882 -1.022 4.236) 4.747 8.711 ( 1.862 -0.813 -4.779) 5.193 9.170 ( -7.057 -7.777 2.000) 10.690 9.315 ( 6.376 -7.765 -0.509) 10.060 10.558 ( 0.726 -0.339 0.805) 1.136 10.575 ( 0.354 -0.636 -2.114) 2.235 10.994 ( -4.021 0.394 -2.978) 5.019 11.021 ( 2.858 0.435 3.328) 4.408 12.776 ( 0.804 1.070 3.941) 4.162 12.823 ( 0.454 0.497 -4.104) 4.159 13.167 ( 0.241 1.252 1.272) 1.801 13.184 ( -0.129 0.957 -1.994) 2.216 14.320 ( -1.609 0.891 7.064) 7.300 14.431 ( 1.933 1.096 -5.399) 5.838 14.670 ( -1.334 -0.483 7.926) 8.052 14.788 ( 1.322 -0.723 -6.443) 6.617 16.388 ( -3.363 -2.792 3.046) 5.327 16.472 ( 0.187 -3.611 -5.197) 6.331 17.366 ( -2.299 1.825 1.933) 3.515 17.427 ( 1.278 1.115 -1.365) 2.177 21.201 ( -1.819 3.329 1.535) 4.092 21.251 ( 0.576 4.842 -2.788) 5.616 21.899 ( -4.357 1.237 5.451) 7.087 22.037 ( 2.450 0.317 -5.550) 6.075 22.769 ( -1.084 0.345 1.772) 2.106 22.814 ( 0.452 0.537 -2.842) 2.928 22.952 ( -0.883 1.099 3.442) 3.719 23.007 ( 0.431 1.216 -3.067) 3.327 23.490 ( -3.026 1.407 7.307) 8.033 23.655 ( 5.303 0.044 -6.270) 8.211 24.517 ( 0.402 -2.294 5.818) 6.267 24.583 ( -0.664 -2.542 -6.377) 6.897 28.296 ( -1.463 -0.572 -0.311) 1.601 28.307 ( -0.518 -0.570 0.022) 0.770 28.327 ( 0.387 0.153 -0.163) 0.447 28.336 ( 1.464 -0.141 -0.210) 1.486 28.606 ( -1.093 -1.831 0.695) 2.243 28.642 ( 1.236 -1.891 -1.378) 2.646 28.739 ( 0.294 -3.222 4.816) 5.802 28.782 ( -1.266 -3.867 -4.110) 5.783 29.708 ( -1.902 4.160 2.777) 5.351 29.776 ( 1.389 2.181 -2.034) 3.290 29.853 ( -0.572 1.607 -0.309) 1.734 29.880 ( 1.139 2.473 -0.375) 2.748 29.909 ( 1.060 3.606 -1.592) 4.082 29.910 ( 0.839 -0.295 -0.013) 0.890 30.793 ( -2.853 -0.426 4.776) 5.579 30.919 ( 1.669 3.997 -8.224) 9.295 32.387 ( -5.499 -1.885 -1.146) 5.925 32.395 ( -8.593 -1.446 -2.644) 9.106 32.598 ( 8.389 1.211 14.907) 17.148 32.773 ( 12.178 -0.290 0.795) 12.208 48.416 ( -0.446 -0.103 0.826) 0.944 48.427 ( -0.674 0.190 -0.120) 0.711 48.472 ( -2.039 0.399 1.992) 2.879 48.558 ( 3.188 -0.457 -2.372) 4.000 72.858 ( -0.348 0.009 0.227) 0.416 72.868 ( 0.227 0.044 -0.481) 0.534 72.908 ( -0.124 -0.444 0.020) 0.461 72.912 ( 0.167 -0.303 -0.064) 0.352 94.769 ( -0.638 1.381 1.256) 1.973 94.792 ( 0.005 1.282 -1.523) 1.991 95.475 ( 3.209 -4.128 13.963) 14.910 95.528 ( -7.099 -4.328 -11.064) 13.840 96.616 ( 0.770 0.725 2.180) 2.423 96.651 ( 0.389 0.438 -4.563) 4.600 97.334 ( -7.678 -5.019 8.108) 12.243 97.591 ( 5.186 -10.531 -11.949) 16.751 ======================= Grid point 159 (85/100) ======================= q-point: (-0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -9.339 6.946 22.685) 25.497 1.716 ( -8.849 27.500 15.148) 32.619 2.305 ( 5.667 17.282 -7.826) 19.800 2.396 ( 15.947 1.868 2.721) 16.285 3.105 ( -9.561 6.385 8.368) 14.219 3.256 ( -0.807 5.557 -3.169) 6.448 3.378 ( -1.900 2.707 -5.799) 6.675 3.400 ( -0.096 1.474 1.331) 1.988 3.632 ( 0.553 1.656 9.454) 9.613 3.883 ( 9.362 -5.397 5.760) 12.245 3.978 ( -1.012 -7.435 -0.938) 7.562 4.050 ( -5.335 -5.675 11.946) 14.261 4.264 ( 2.926 -3.857 2.793) 5.588 4.293 ( -6.058 -8.870 2.281) 10.981 4.369 ( -6.266 0.598 10.717) 12.429 4.575 ( -0.297 -6.001 0.612) 6.040 4.670 ( 4.122 5.331 -4.534) 8.122 4.770 ( 2.595 6.679 2.327) 7.534 4.851 ( -0.274 5.250 4.936) 7.211 5.028 ( -2.925 5.112 -1.265) 6.023 5.222 ( 0.338 -1.300 9.988) 10.078 5.399 ( 8.914 0.637 -0.561) 8.955 5.599 ( 0.906 -2.524 -4.267) 5.040 5.780 ( -0.304 -3.264 3.123) 4.527 5.947 ( -3.851 4.096 -9.838) 11.331 6.025 ( -2.958 2.504 -9.841) 10.576 6.294 ( -2.629 -1.845 -2.201) 3.894 6.445 ( -1.256 0.251 -4.070) 4.267 6.571 ( -0.713 2.414 -9.087) 9.429 6.594 ( -4.694 1.954 -12.088) 13.113 6.739 ( 11.070 -0.192 0.385) 11.078 6.971 ( 4.974 2.492 2.490) 6.095 7.073 ( 0.982 2.915 2.287) 3.833 7.215 ( 2.568 2.252 1.823) 3.872 7.354 ( 0.053 -2.929 -1.575) 3.326 7.459 ( 2.095 -0.138 0.606) 2.185 7.827 ( -4.342 3.180 9.270) 10.719 7.922 ( -3.207 -1.635 -3.804) 5.237 8.060 ( 0.625 -0.786 1.776) 2.040 8.254 ( 4.518 -2.209 -6.309) 8.068 8.621 ( -0.844 -1.489 5.117) 5.396 8.712 ( 1.300 -0.889 -2.845) 3.252 9.020 ( -7.977 -6.227 -1.651) 10.254 9.349 ( -0.500 -5.696 -9.213) 10.843 10.584 ( 1.625 -0.435 -1.019) 1.967 10.606 ( 3.419 -1.228 3.389) 4.968 10.887 ( -4.187 0.655 -3.512) 5.504 11.075 ( 0.259 -1.225 2.833) 3.097 12.819 ( 1.892 0.605 -1.824) 2.697 12.836 ( 1.971 1.443 3.044) 3.903 13.160 ( -0.683 0.823 -2.204) 2.450 13.177 ( 0.073 1.771 0.566) 1.861 14.355 ( -0.354 -0.029 7.892) 7.900 14.457 ( 3.830 1.543 -3.597) 5.476 14.708 ( -0.173 -1.200 7.132) 7.234 14.773 ( 1.745 -1.044 -5.835) 6.180 16.283 ( -7.271 -3.575 -1.457) 8.233 16.412 ( -4.566 -0.122 -2.031) 4.999 17.340 ( -1.351 1.153 1.097) 2.087 17.423 ( -0.870 0.864 -0.783) 1.455 21.169 ( -2.369 4.112 1.550) 4.992 21.231 ( -0.567 5.284 -2.528) 5.885 21.839 ( -5.091 1.256 4.122) 6.670 22.002 ( -1.644 0.567 -6.295) 6.531 22.750 ( -1.911 0.590 1.202) 2.333 22.787 ( -0.997 0.187 -3.049) 3.214 22.953 ( -0.792 0.271 2.312) 2.459 23.002 ( 0.615 1.734 -1.729) 2.525 23.501 ( -1.572 1.816 7.919) 8.276 23.725 ( 6.556 -0.071 -7.743) 10.146 24.541 ( 0.712 -2.507 -4.967) 5.609 24.556 ( -0.936 -3.142 5.474) 6.381 28.265 ( -1.224 -0.431 -0.551) 1.409 28.295 ( -0.602 -0.856 0.094) 1.050 28.338 ( 0.541 0.659 0.280) 0.897 28.357 ( 0.859 -0.311 -0.471) 1.028 28.569 ( -2.407 -1.542 -1.522) 3.238 28.599 ( -2.723 -1.138 -4.238) 5.164 28.768 ( 1.950 -2.220 0.780) 3.056 28.799 ( 0.552 -3.267 5.042) 6.033 29.693 ( -1.345 3.306 2.334) 4.264 29.788 ( 0.685 1.280 -1.343) 1.978 29.844 ( 0.163 1.335 -0.912) 1.624 29.887 ( 0.521 0.141 0.408) 0.677 29.920 ( 0.743 0.354 -0.123) 0.832 29.958 ( 3.657 6.597 -1.345) 7.662 30.728 ( -5.263 0.484 1.251) 5.431 30.869 ( -1.294 3.675 -6.704) 7.754 32.184 ( -9.041 -1.349 -1.327) 9.237 32.210 ( -5.812 -0.942 -6.387) 8.687 33.035 ( 16.464 -2.938 8.841) 18.917 33.146 ( 24.552 -1.826 11.587) 27.210 48.401 ( -0.949 0.091 0.615) 1.134 48.426 ( -0.184 -0.282 1.370) 1.411 48.466 ( -0.224 0.715 2.013) 2.148 48.601 ( 2.782 -0.891 -2.181) 3.646 72.851 ( -0.426 -0.193 0.039) 0.469 72.864 ( -0.329 0.175 -0.386) 0.536 72.907 ( 0.077 -0.439 -0.048) 0.448 72.915 ( 0.109 -0.214 0.047) 0.245 94.756 ( -1.118 1.500 0.507) 1.939 94.784 ( -0.274 1.561 -0.599) 1.694 95.362 ( -2.665 -3.201 -7.320) 8.422 95.594 ( -2.722 -4.968 16.369) 17.321 96.633 ( -0.249 0.339 2.002) 2.045 96.646 ( 3.030 0.082 -4.601) 5.510 97.214 ( -9.072 -3.687 4.280) 10.687 97.525 ( -3.457 -11.012 -11.224) 16.100 ======================= Grid point 160 (86/100) ======================= q-point: (-0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -1.024 10.817 25.233) 27.473 1.656 ( -7.839 29.944 14.509) 34.185 2.325 ( -0.363 15.709 -1.509) 15.785 2.615 ( 8.543 -1.042 -14.304) 16.693 3.022 ( -2.212 0.795 11.304) 11.546 3.255 ( -3.541 4.300 -3.084) 6.367 3.318 ( 0.569 -0.902 7.971) 8.042 3.456 ( 2.528 7.156 13.253) 15.272 3.714 ( 1.892 0.400 3.257) 3.789 3.899 ( -3.840 -2.956 -3.269) 5.846 4.015 ( -2.035 -5.201 0.471) 5.605 4.075 ( 2.607 -5.941 3.820) 7.529 4.314 ( 8.496 -4.676 7.882) 12.497 4.352 ( 2.902 -2.482 5.890) 7.019 4.490 ( 3.538 -7.841 12.569) 15.231 4.575 ( -0.150 -7.111 2.173) 7.437 4.759 ( 4.746 9.431 5.432) 11.873 4.816 ( 0.022 8.827 6.744) 11.109 4.865 ( -0.607 0.853 1.107) 1.524 5.014 ( 1.581 6.588 0.929) 6.839 5.251 ( -3.981 -3.517 9.948) 11.277 5.463 ( -1.570 5.921 -4.704) 7.723 5.596 ( 3.569 -5.229 -9.614) 11.511 5.756 ( -3.173 3.236 -12.320) 13.128 5.784 ( -5.920 -2.225 4.967) 8.041 5.937 ( 2.261 1.418 -8.639) 9.042 6.152 ( -8.388 -4.020 -8.471) 12.581 6.346 ( -3.355 -2.388 -6.496) 7.691 6.451 ( -2.568 6.465 -4.517) 8.294 6.529 ( 2.861 1.472 -14.620) 14.970 6.979 ( 14.572 1.195 -4.815) 15.394 7.064 ( 2.649 -0.708 5.558) 6.198 7.130 ( -0.751 -0.097 8.125) 8.160 7.276 ( 2.630 2.208 1.606) 3.791 7.400 ( 5.211 -1.951 2.004) 5.914 7.505 ( 1.909 1.026 2.860) 3.589 7.798 ( -3.926 4.049 3.600) 6.691 7.828 ( -3.378 -0.479 -4.172) 5.389 8.046 ( -1.946 -1.601 -1.454) 2.910 8.241 ( -0.722 -7.097 -10.893) 13.020 8.650 ( -0.673 -2.619 6.150) 6.718 8.732 ( 1.921 -0.942 -0.352) 2.168 8.886 ( -4.045 -2.307 -1.535) 4.903 9.159 ( -9.183 -0.463 -14.571) 17.230 10.614 ( 1.928 0.021 -0.295) 1.951 10.724 ( 3.558 -0.895 0.615) 3.720 10.819 ( 1.001 -2.345 1.976) 3.226 11.069 ( -2.541 -3.019 1.656) 4.279 12.853 ( 2.924 1.034 -1.564) 3.473 12.887 ( 0.460 2.147 2.918) 3.652 13.137 ( -0.051 0.852 -1.533) 1.755 13.176 ( -0.362 2.302 -0.356) 2.357 14.405 ( -0.609 -0.711 8.161) 8.215 14.510 ( 3.984 1.327 -3.325) 5.356 14.750 ( -0.142 -2.766 4.020) 4.882 14.776 ( 2.228 -1.376 -4.182) 4.935 16.143 ( -4.864 -0.536 -0.928) 4.981 16.278 ( -7.720 2.162 -0.715) 8.049 17.336 ( 0.318 0.355 0.548) 0.726 17.391 ( -2.076 0.493 0.091) 2.135 21.143 ( -1.302 5.005 1.447) 5.370 21.201 ( -0.565 6.013 -2.547) 6.554 21.781 ( -3.371 1.395 3.416) 4.998 21.906 ( -3.661 1.249 -4.678) 6.070 22.719 ( -1.910 0.730 0.994) 2.273 22.747 ( -0.848 -0.030 -2.568) 2.704 22.959 ( -0.205 0.367 1.946) 1.991 23.001 ( 0.526 1.063 -1.570) 1.968 23.533 ( -1.581 2.154 9.312) 9.687 23.774 ( 4.727 -0.124 -9.784) 10.867 24.542 ( 1.338 -3.029 -1.936) 3.836 24.552 ( -1.790 -3.458 2.475) 4.614 28.248 ( -0.141 -0.375 -0.359) 0.538 28.283 ( -0.737 -1.226 -0.234) 1.449 28.348 ( 0.208 0.987 0.399) 1.085 28.363 ( 0.290 -0.183 -0.619) 0.707 28.500 ( -2.146 0.506 -2.121) 3.059 28.537 ( -2.004 0.547 -1.627) 2.639 28.820 ( 2.631 -2.581 0.773) 3.766 28.832 ( -0.529 -3.249 4.320) 5.431 29.693 ( -0.369 1.821 2.446) 3.072 29.778 ( -0.321 0.496 -1.962) 2.049 29.849 ( 0.765 0.232 -0.174) 0.818 29.898 ( -0.076 -0.341 -0.357) 0.499 29.941 ( 1.093 2.236 1.662) 2.992 30.010 ( 2.961 7.254 -2.674) 8.278 30.649 ( -3.689 0.618 2.132) 4.305 30.790 ( -2.023 3.141 -6.087) 7.142 32.037 ( -7.189 -0.835 3.554) 8.063 32.108 ( -0.093 -1.594 -8.386) 8.537 33.358 ( 11.114 -2.879 10.232) 15.379 33.640 ( 18.712 -7.710 -0.391) 20.242 48.398 ( 0.033 -0.010 0.832) 0.833 48.430 ( -0.177 0.110 0.127) 0.244 48.495 ( 1.316 -0.211 3.461) 3.709 48.624 ( 1.161 -1.173 -2.439) 2.945 72.844 ( -0.239 -0.151 -0.001) 0.283 72.854 ( -0.512 0.128 -0.093) 0.536 72.910 ( 0.233 -0.331 -0.026) 0.405 72.916 ( -0.040 -0.213 0.029) 0.219 94.742 ( -0.682 1.907 0.842) 2.193 94.772 ( -0.279 1.867 -0.936) 2.107 95.370 ( 8.614 -3.446 -4.437) 10.284 95.573 ( -10.807 -4.722 14.725) 18.866 96.649 ( 0.560 -0.138 2.901) 2.957 96.705 ( 5.113 -1.243 -2.809) 5.965 97.083 ( -5.220 -2.490 0.519) 5.807 97.326 ( -10.463 -8.637 -6.236) 14.931 ======================= Grid point 161 (87/100) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 1.011 9.635 23.436) 25.360 2.215 ( 0.689 16.168 -3.599) 16.578 2.616 ( 2.622 6.608 2.205) 7.443 2.733 ( -1.010 21.046 -6.487) 22.046 3.152 ( 2.108 3.709 5.899) 7.280 3.239 ( 0.424 0.971 -3.954) 4.094 3.333 ( -0.039 0.132 8.755) 8.756 3.553 ( -0.275 -4.420 -9.887) 10.834 3.785 ( 3.845 2.445 6.422) 7.874 3.882 ( -1.924 0.398 -3.945) 4.407 4.021 ( 3.258 2.674 7.834) 8.896 4.106 ( -1.060 6.939 1.434) 7.164 4.333 ( 4.585 -7.542 4.110) 9.737 4.367 ( -1.293 -4.857 -0.393) 5.041 4.420 ( 0.400 -3.814 5.539) 6.737 4.561 ( 5.918 -0.722 -1.948) 6.272 4.844 ( 1.817 -3.528 4.557) 6.043 4.926 ( -2.298 -1.582 2.258) 3.589 5.008 ( -0.116 -0.206 9.633) 9.636 5.108 ( 1.091 -1.015 2.662) 3.051 5.304 ( -3.906 8.717 5.726) 11.137 5.438 ( 2.695 -8.282 -3.258) 9.298 5.608 ( -1.468 3.042 -7.053) 7.821 5.630 ( -2.655 0.434 -13.725) 13.986 5.714 ( 1.702 4.438 7.790) 9.126 5.864 ( -5.324 3.187 -2.476) 6.681 5.988 ( -2.542 1.260 -5.876) 6.525 6.152 ( 1.081 -2.774 -12.231) 12.588 6.544 ( -4.705 7.006 -1.577) 8.585 6.570 ( 5.162 3.411 -5.582) 8.333 7.035 ( -6.341 -1.771 2.585) 7.073 7.054 ( 1.931 -3.452 2.384) 4.618 7.251 ( 8.075 -2.312 7.979) 11.586 7.376 ( -2.053 1.430 -0.398) 2.534 7.428 ( -3.606 -4.840 7.184) 9.383 7.567 ( 2.996 -6.989 -0.601) 7.628 7.693 ( -2.447 2.934 -0.948) 3.936 7.834 ( 0.439 -1.337 -9.902) 10.001 7.945 ( 1.967 -2.121 -1.812) 3.413 7.988 ( 0.018 0.390 -5.537) 5.551 8.669 ( 2.544 0.383 3.954) 4.717 8.734 ( -0.133 -0.347 -1.057) 1.120 8.844 ( 0.416 -1.215 0.952) 1.599 8.924 ( -5.582 -1.457 -6.975) 9.052 10.671 ( 2.420 1.197 1.284) 2.990 10.714 ( -2.546 1.532 -2.916) 4.164 10.840 ( 4.664 -5.108 4.556) 8.283 10.906 ( -3.325 -4.680 -2.199) 6.148 12.920 ( -2.137 2.353 1.865) 3.685 12.951 ( 2.753 1.818 -1.272) 3.536 13.171 ( 1.596 0.750 0.448) 1.820 13.189 ( -1.687 0.503 -1.010) 2.030 14.440 ( -2.598 1.429 8.069) 8.596 14.575 ( 3.171 1.693 -5.759) 6.789 14.658 ( -4.490 -3.681 5.728) 8.156 14.754 ( 3.186 -2.404 -4.354) 5.907 16.177 ( 1.796 1.740 1.038) 2.707 16.200 ( -1.403 1.510 -1.395) 2.488 17.359 ( 0.919 0.243 0.565) 1.106 17.360 ( -1.606 0.318 0.437) 1.694 21.276 ( -0.171 6.347 1.660) 6.562 21.325 ( 1.162 5.862 -3.390) 6.870 21.817 ( -0.147 2.718 2.973) 4.031 21.869 ( -1.034 1.837 -2.278) 3.104 22.728 ( -0.916 1.847 0.748) 2.193 22.742 ( 0.259 1.779 -0.606) 1.898 22.973 ( 0.790 -1.205 0.241) 1.461 22.989 ( -0.145 -1.036 -1.311) 1.677 23.628 ( -2.303 3.996 7.744) 9.013 23.772 ( 1.078 0.371 -6.474) 6.574 24.418 ( -3.236 -3.931 3.370) 6.106 24.495 ( 3.985 -5.191 -4.245) 7.800 28.238 ( -0.016 -0.633 0.133) 0.647 28.246 ( -0.036 -0.781 -0.597) 0.984 28.366 ( -0.368 0.556 0.228) 0.705 28.372 ( 0.385 0.564 -0.340) 0.762 28.513 ( -0.403 1.842 0.723) 2.019 28.533 ( 0.008 2.074 -1.244) 2.419 28.756 ( -0.783 -4.159 1.946) 4.658 28.783 ( 1.129 -4.305 -0.750) 4.514 29.739 ( -0.611 1.450 1.491) 2.168 29.767 ( 0.293 0.393 -1.307) 1.396 29.858 ( 0.195 -0.175 0.264) 0.371 29.870 ( -0.370 -0.432 -0.956) 1.112 30.059 ( -0.477 4.663 5.089) 6.919 30.168 ( 1.293 4.961 -5.918) 7.830 30.644 ( -2.603 2.413 4.779) 5.953 30.791 ( 2.154 1.794 -9.542) 9.945 31.951 ( -2.901 -0.333 3.635) 4.663 32.032 ( 1.742 -2.532 -4.591) 5.524 33.469 ( 0.949 -4.120 8.918) 9.869 33.584 ( -0.797 -8.198 -2.217) 8.530 48.406 ( -0.388 0.218 1.779) 1.834 48.434 ( 0.639 0.187 -0.831) 1.064 48.523 ( 0.534 -0.861 2.528) 2.724 48.579 ( -0.239 -1.631 -2.914) 3.348 72.844 ( 0.042 -0.032 0.079) 0.095 72.846 ( -0.016 -0.051 -0.117) 0.128 72.908 ( -0.190 -0.316 -0.013) 0.369 72.908 ( 0.202 -0.322 -0.015) 0.380 94.803 ( -1.569 3.810 1.527) 4.394 94.832 ( 1.850 3.788 -1.453) 4.459 95.319 ( -9.839 -5.420 7.157) 13.319 95.445 ( 13.637 -8.589 -5.410) 17.000 96.661 ( -1.421 -0.866 2.784) 3.243 96.714 ( 1.557 -1.447 -2.655) 3.402 96.984 ( -2.922 -3.723 3.080) 5.647 97.017 ( -0.109 -3.719 -0.469) 3.750 ======================= Grid point 162 (88/100) ======================= q-point: ( 0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 4.740 7.328 17.601) 19.646 2.200 ( 3.944 14.464 -15.015) 21.218 2.636 ( -0.963 21.233 -5.728) 22.013 2.707 ( 2.427 13.388 -1.039) 13.646 3.196 ( 2.171 1.548 -3.305) 4.246 3.288 ( 5.477 6.728 -0.370) 8.683 3.377 ( -4.096 -3.885 10.174) 11.635 3.479 ( 1.124 -4.126 -11.800) 12.551 3.838 ( 0.713 -2.719 -3.961) 4.857 3.888 ( 2.384 1.701 2.981) 4.179 4.023 ( -3.804 6.915 -3.199) 8.516 4.131 ( 1.565 2.361 4.567) 5.374 4.278 ( -6.656 -4.432 -7.068) 10.673 4.394 ( -1.107 -4.917 3.243) 5.993 4.415 ( 0.657 -4.821 -4.904) 6.908 4.577 ( 1.037 0.223 -7.434) 7.510 4.857 ( -3.517 -0.165 0.676) 3.585 4.911 ( 0.712 -6.255 0.629) 6.326 5.041 ( -2.297 -5.621 0.014) 6.072 5.201 ( 6.121 1.542 5.080) 8.103 5.234 ( -4.655 4.560 4.541) 7.943 5.437 ( -6.660 0.401 -8.458) 10.773 5.545 ( 1.201 1.983 0.024) 2.318 5.624 ( 5.361 -1.947 3.019) 6.453 5.725 ( 0.053 5.639 0.681) 5.680 5.892 ( 5.287 3.051 13.067) 14.422 5.950 ( -2.308 -1.079 5.047) 5.654 6.126 ( 3.939 -0.739 -10.519) 11.257 6.481 ( -0.109 3.061 -2.424) 3.907 6.657 ( 3.832 7.254 0.560) 8.224 6.910 ( -7.331 2.311 3.156) 8.309 7.097 ( 0.679 -3.936 2.843) 4.903 7.169 ( -8.370 -3.646 -4.602) 10.224 7.304 ( -5.681 -1.675 1.783) 6.185 7.526 ( 0.330 -3.851 0.629) 3.916 7.552 ( -3.113 -0.154 -7.194) 7.840 7.673 ( -0.874 1.551 5.536) 5.815 7.770 ( 4.503 -6.341 3.457) 8.511 8.020 ( 5.860 4.286 -2.469) 7.668 8.098 ( 10.197 -1.415 -5.021) 11.454 8.668 ( -2.180 -1.638 -1.629) 3.177 8.721 ( -1.274 -1.313 -1.701) 2.498 8.833 ( -0.361 -1.079 0.496) 1.241 8.929 ( 4.120 -1.543 6.432) 7.792 10.635 ( -2.871 0.658 -1.819) 3.461 10.729 ( -0.211 0.860 -0.524) 1.029 10.794 ( -1.792 -2.881 -0.930) 3.518 10.977 ( 4.690 -5.270 1.404) 7.193 12.863 ( -3.893 2.517 0.938) 4.730 12.980 ( 0.462 1.117 -2.130) 2.449 13.154 ( -0.831 0.966 -0.301) 1.309 13.206 ( 1.321 0.906 0.458) 1.666 14.421 ( -4.160 1.265 5.860) 7.297 14.574 ( -1.066 0.063 -3.246) 3.417 14.619 ( -1.528 -1.154 3.711) 4.175 14.785 ( 2.780 -2.230 -4.122) 5.449 16.163 ( 1.132 2.028 -0.230) 2.334 16.293 ( 6.317 -0.844 -0.502) 6.393 17.350 ( 0.259 0.942 0.536) 1.114 17.389 ( 1.458 0.074 1.016) 1.779 21.286 ( 0.021 5.851 1.606) 6.068 21.329 ( 1.844 5.818 -3.777) 7.177 21.848 ( 1.230 2.381 2.483) 3.654 21.880 ( 3.027 1.968 -0.371) 3.630 22.728 ( 0.112 1.637 1.385) 2.147 22.759 ( 1.749 1.895 -0.112) 2.581 22.978 ( 0.315 -1.632 -1.218) 2.060 22.996 ( 1.155 -0.112 -0.213) 1.180 23.618 ( -4.293 3.123 7.531) 9.214 23.733 ( -0.837 0.702 -4.894) 5.014 24.392 ( -1.646 -2.860 2.752) 4.297 24.543 ( 3.959 -5.775 -4.566) 8.359 28.238 ( 0.242 -0.368 -0.015) 0.441 28.253 ( 0.789 -1.048 -0.042) 1.312 28.356 ( -0.698 0.466 0.194) 0.861 28.372 ( -0.233 0.354 -0.304) 0.522 28.509 ( -0.356 2.137 1.042) 2.404 28.540 ( 0.984 1.390 -0.375) 1.744 28.742 ( -1.764 -3.823 1.105) 4.353 28.787 ( -0.035 -5.272 -1.418) 5.459 29.739 ( -0.295 1.231 1.218) 1.757 29.781 ( 1.730 0.687 -0.562) 1.944 29.840 ( -1.060 -0.170 -0.028) 1.074 29.878 ( 0.459 -0.717 0.203) 0.875 30.057 ( -2.921 5.004 3.616) 6.830 30.135 ( -0.389 4.721 -5.372) 7.162 30.654 ( -0.227 2.534 6.027) 6.542 30.811 ( 5.538 1.438 -6.590) 8.728 31.954 ( 0.018 0.263 4.874) 4.881 32.067 ( 4.761 -2.693 -2.690) 6.095 33.403 ( -12.197 -4.425 0.076) 12.975 33.459 ( -10.076 -5.146 1.531) 11.417 48.407 ( -0.461 0.455 1.058) 1.241 48.444 ( 0.972 0.232 -1.183) 1.548 48.541 ( -0.663 -1.507 2.394) 2.905 48.548 ( -0.555 -0.952 -3.044) 3.237 72.843 ( 0.171 0.010 -0.025) 0.173 72.854 ( 0.590 -0.095 -0.043) 0.600 72.903 ( -0.298 -0.303 -0.012) 0.425 72.910 ( 0.027 -0.375 -0.016) 0.377 94.781 ( -1.408 2.801 1.135) 3.334 94.857 ( 1.473 3.879 -1.500) 4.413 95.205 ( -5.580 -2.552 4.281) 7.481 95.648 ( 11.666 -12.331 -10.351) 19.882 96.618 ( -4.399 -0.082 3.145) 5.408 96.700 ( -0.404 -1.198 -2.800) 3.072 97.009 ( 5.264 -2.472 2.205) 6.219 97.095 ( 4.601 -5.477 2.680) 7.638 ======================= Grid point 163 (89/100) ======================= q-point: ( 0.29 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 2.665 14.560 -23.541) 27.807 2.267 ( 0.749 6.019 5.094) 7.921 2.582 ( -1.037 19.668 -3.719) 20.044 2.723 ( -0.447 17.016 -2.819) 17.253 3.165 ( 0.869 5.558 -8.076) 9.842 3.310 ( -4.864 -4.296 3.929) 7.585 3.428 ( 4.945 1.465 3.617) 6.300 3.477 ( 4.645 0.289 -5.437) 7.157 3.803 ( -4.122 3.382 -3.466) 6.360 3.885 ( -0.538 -2.181 -1.818) 2.890 3.974 ( -7.964 -0.598 -9.445) 12.369 4.021 ( -2.912 -7.767 -0.620) 8.318 4.167 ( -2.469 2.510 4.468) 5.689 4.364 ( 3.882 -4.465 -12.921) 14.211 4.452 ( 4.359 -0.335 -0.486) 4.399 4.567 ( 2.426 0.491 -2.373) 3.429 4.786 ( -4.911 0.405 0.816) 4.995 4.881 ( -0.785 -2.206 -10.816) 11.066 4.956 ( -4.131 -2.906 -0.041) 5.051 5.183 ( -8.879 -4.655 4.190) 10.866 5.241 ( -5.451 8.642 3.825) 10.910 5.324 ( 4.702 1.145 -1.820) 5.170 5.562 ( 0.117 3.438 -0.839) 3.540 5.779 ( 5.201 0.700 5.747) 7.782 5.840 ( 7.178 -1.938 4.208) 8.543 5.928 ( -0.498 -1.254 3.935) 4.160 6.119 ( 7.010 1.657 9.373) 11.821 6.161 ( 2.860 0.006 6.243) 6.867 6.476 ( -0.232 1.290 -2.481) 2.806 6.664 ( -2.311 6.503 5.172) 8.624 6.843 ( -2.402 2.647 -2.970) 4.647 7.078 ( 2.222 3.936 -1.388) 4.728 7.126 ( 0.620 -3.619 2.323) 4.345 7.213 ( -4.086 -3.058 0.265) 5.110 7.366 ( -5.025 1.965 -7.901) 9.567 7.501 ( -2.528 0.091 -1.520) 2.952 7.749 ( 1.186 -0.833 8.103) 8.232 7.912 ( 3.038 -7.999 7.841) 11.605 8.083 ( 3.466 5.043 -5.458) 8.200 8.219 ( 5.921 -0.583 -7.405) 9.499 8.628 ( -2.805 -1.817 2.089) 3.941 8.668 ( 0.078 -3.418 -4.700) 5.812 8.880 ( 4.214 -2.594 1.411) 5.146 9.043 ( 1.065 -4.731 8.233) 9.555 10.577 ( -2.111 -0.071 -1.121) 2.391 10.640 ( -3.545 -2.240 -4.054) 5.832 10.855 ( 3.995 1.866 2.927) 5.292 11.047 ( 2.044 -3.778 0.297) 4.306 12.805 ( -2.738 2.120 1.103) 3.634 12.937 ( -2.163 0.074 -3.687) 4.275 13.160 ( 0.762 1.758 1.048) 2.184 13.222 ( 0.443 1.127 -0.365) 1.265 14.379 ( -3.871 1.565 4.966) 6.487 14.517 ( -2.591 -0.629 -1.143) 2.901 14.631 ( -0.049 0.545 2.124) 2.193 14.796 ( 1.881 -1.880 -5.324) 5.951 16.222 ( 4.260 0.410 0.848) 4.363 16.383 ( 3.392 -3.255 -1.164) 4.843 17.376 ( 2.018 1.521 0.437) 2.564 17.421 ( 0.812 0.525 1.366) 1.673 21.297 ( -0.184 5.062 1.827) 5.385 21.340 ( 2.109 5.085 -3.904) 6.749 21.903 ( 2.255 1.924 2.889) 4.139 21.947 ( 3.772 1.561 -0.465) 4.108 22.748 ( 0.511 1.216 2.217) 2.580 22.799 ( 2.303 1.701 -0.322) 2.882 22.980 ( 0.734 -0.073 -1.080) 1.308 23.016 ( 1.020 0.096 -0.327) 1.075 23.579 ( -4.513 2.221 6.239) 8.014 23.679 ( -1.680 0.709 -3.268) 3.743 24.396 ( 0.003 -2.102 2.678) 3.404 24.570 ( 2.219 -5.643 -5.222) 8.003 28.252 ( 1.228 -0.278 -0.005) 1.259 28.271 ( 1.050 -1.088 0.198) 1.525 28.343 ( -0.751 0.150 0.067) 0.769 28.358 ( -0.920 0.185 -0.293) 0.983 28.521 ( 0.644 1.180 1.849) 2.286 28.558 ( 0.957 0.155 0.168) 0.984 28.709 ( -2.113 -3.449 0.370) 4.062 28.763 ( -1.171 -5.836 -2.027) 6.288 29.746 ( 0.063 1.674 1.406) 2.187 29.808 ( 0.846 0.332 -0.543) 1.058 29.839 ( 1.227 0.130 0.730) 1.434 29.881 ( -0.195 -1.055 0.265) 1.105 30.011 ( -3.530 5.414 1.945) 6.749 30.087 ( -0.959 4.865 -4.422) 6.644 30.716 ( 1.688 2.994 6.878) 7.689 30.888 ( 6.540 1.186 -5.477) 8.613 32.022 ( 3.097 1.061 7.099) 7.818 32.176 ( 7.814 -2.934 -0.205) 8.349 33.104 ( -16.604 -1.615 -3.074) 16.963 33.196 ( -17.507 -3.499 -1.344) 17.904 48.408 ( -0.063 0.550 0.827) 0.995 48.450 ( 0.579 0.105 -1.335) 1.459 48.521 ( 0.087 -0.359 -2.580) 2.606 48.533 ( -1.773 -1.123 1.793) 2.760 72.850 ( 0.530 0.068 -0.030) 0.535 72.864 ( 0.455 -0.006 -0.016) 0.455 72.897 ( -0.222 -0.390 -0.003) 0.449 72.908 ( -0.173 -0.453 -0.022) 0.485 94.773 ( -0.221 2.029 1.400) 2.476 94.866 ( 0.615 3.008 -1.568) 3.448 95.180 ( -0.371 -1.287 4.385) 4.585 95.698 ( 1.825 -12.449 -12.247) 17.559 96.583 ( -1.063 1.842 3.042) 3.712 96.684 ( 0.642 -0.537 -2.468) 2.606 97.162 ( 9.070 -5.712 -1.112) 10.776 97.190 ( 2.224 -6.576 4.803) 8.442 ======================= Grid point 164 (90/100) ======================= q-point: ( 0.43 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 4.597 12.884 -19.682) 23.969 2.128 ( -12.994 9.312 -9.339) 18.514 2.527 ( -5.538 18.779 6.111) 20.510 2.687 ( 3.088 20.032 -9.190) 22.255 3.211 ( 2.396 9.954 8.362) 13.219 3.262 ( -0.656 -12.250 -1.595) 12.371 3.468 ( -1.791 -10.141 -8.985) 13.667 3.505 ( -0.079 0.200 -2.430) 2.439 3.685 ( -2.691 3.552 -2.510) 5.115 3.724 ( -3.300 6.413 -1.862) 7.449 3.947 ( 1.793 -0.633 1.210) 2.254 4.007 ( -2.278 -0.946 0.287) 2.484 4.142 ( -3.542 -4.512 6.429) 8.617 4.314 ( -1.448 -4.812 -9.064) 10.364 4.560 ( 4.555 2.606 1.818) 5.553 4.651 ( 4.649 2.377 0.822) 5.286 4.684 ( -3.518 2.096 -0.712) 4.157 4.811 ( -0.476 5.806 -6.518) 8.741 4.916 ( 1.180 -3.894 -1.788) 4.444 4.987 ( -9.509 -3.958 1.483) 10.406 5.222 ( -4.686 6.627 8.946) 12.080 5.371 ( 3.409 1.608 -7.194) 8.121 5.559 ( 0.115 0.453 1.906) 1.962 5.745 ( -2.606 -2.013 -8.927) 9.515 6.002 ( 2.843 -0.333 8.475) 8.945 6.052 ( 6.825 -0.398 3.666) 7.757 6.253 ( 6.492 -0.748 1.794) 6.777 6.340 ( 4.554 1.235 12.768) 13.612 6.425 ( -2.780 1.085 0.558) 3.036 6.688 ( 1.525 -0.363 -5.504) 5.723 6.814 ( 2.476 3.940 3.040) 5.558 7.019 ( -6.649 5.137 -2.648) 8.810 7.167 ( 2.564 1.679 0.318) 3.081 7.251 ( -1.412 0.718 -3.722) 4.045 7.272 ( 4.412 -1.933 2.429) 5.394 7.438 ( -3.012 0.757 -2.161) 3.784 7.819 ( -0.214 0.217 10.212) 10.217 7.964 ( -2.640 -4.502 7.830) 9.410 8.084 ( 1.450 3.058 -7.548) 8.272 8.210 ( 1.384 -1.017 -11.835) 11.959 8.601 ( -1.593 -0.935 3.566) 4.016 8.672 ( 2.648 -2.090 -4.148) 5.347 8.995 ( 6.588 -6.950 0.719) 9.603 9.059 ( -4.074 -8.137 5.285) 10.523 10.545 ( -0.645 -0.403 -0.226) 0.793 10.575 ( -0.992 -1.368 -2.445) 2.972 10.952 ( 3.704 1.576 3.134) 5.101 11.056 ( -0.895 -1.545 -0.848) 1.976 12.781 ( -0.757 1.603 1.815) 2.537 12.871 ( -1.527 -0.033 -4.016) 4.296 13.182 ( 0.564 1.764 1.386) 2.313 13.221 ( -0.008 1.177 -1.036) 1.568 14.353 ( -2.787 2.077 5.834) 6.791 14.471 ( -0.752 0.331 -2.671) 2.795 14.643 ( -0.745 0.349 3.852) 3.939 14.785 ( 1.291 -1.708 -6.342) 6.693 16.310 ( 3.380 -1.616 1.902) 4.201 16.400 ( -0.211 -4.223 -1.972) 4.665 17.418 ( 1.148 1.588 1.003) 2.201 17.435 ( 0.214 1.133 0.541) 1.273 21.301 ( -0.868 4.541 2.085) 5.072 21.351 ( 1.755 4.284 -3.655) 5.898 21.950 ( -0.592 1.849 4.419) 4.826 22.008 ( 3.870 0.613 -3.002) 4.936 22.772 ( 0.147 0.956 2.696) 2.864 22.829 ( 1.293 0.915 -1.488) 2.173 22.990 ( 0.294 1.889 0.654) 2.021 23.026 ( 0.713 0.305 -1.427) 1.624 23.545 ( -3.443 2.108 6.131) 7.341 23.637 ( 0.362 0.344 -3.725) 3.759 24.424 ( 0.622 -2.143 3.242) 3.935 24.554 ( 0.248 -4.805 -5.648) 7.419 28.280 ( 1.484 -0.486 0.013) 1.562 28.292 ( 0.745 -0.778 0.150) 1.088 28.329 ( -0.570 0.190 -0.159) 0.622 28.338 ( -0.961 0.061 -0.243) 0.993 28.554 ( 0.893 -0.620 2.484) 2.711 28.577 ( 1.037 -1.080 0.016) 1.497 28.675 ( -1.574 -3.071 0.455) 3.480 28.721 ( -1.360 -5.538 -2.411) 6.191 29.761 ( 0.400 1.741 1.858) 2.577 29.810 ( -0.013 0.361 -0.840) 0.915 29.875 ( 1.317 -0.508 0.145) 1.419 29.880 ( 0.061 -0.529 0.435) 0.687 29.963 ( -3.137 5.799 3.060) 7.269 30.047 ( 0.755 5.593 -5.363) 7.785 30.793 ( 0.700 2.884 7.153) 7.744 30.962 ( 5.788 1.159 -8.095) 10.018 32.183 ( 7.511 1.289 10.893) 13.294 32.347 ( 8.377 -3.189 2.158) 9.220 32.777 ( -14.772 0.089 -2.462) 14.976 32.836 ( -15.512 -1.129 -5.758) 16.585 48.414 ( -0.141 0.388 1.246) 1.313 48.446 ( -0.176 0.037 -1.017) 1.032 48.504 ( -2.004 -0.243 1.479) 2.502 48.521 ( 1.511 -0.272 -2.520) 2.951 72.861 ( 0.535 0.168 -0.013) 0.561 72.867 ( -0.086 0.135 -0.036) 0.164 72.897 ( 0.191 -0.532 0.013) 0.565 72.903 ( -0.316 -0.560 -0.043) 0.644 94.790 ( 0.578 2.036 1.971) 2.892 94.858 ( -0.238 2.811 -1.989) 3.452 95.244 ( 2.645 -3.190 7.263) 8.363 95.579 ( -4.615 -9.649 -11.228) 15.507 96.608 ( 1.192 1.876 2.119) 3.071 96.680 ( 0.520 0.158 -2.670) 2.725 97.235 ( -1.527 -6.698 5.746) 8.956 97.299 ( 6.670 -9.203 -4.124) 12.091 ======================= Grid point 165 (91/100) ======================= q-point: (-0.43 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -16.706 13.412 2.588) 21.579 2.086 ( 8.969 11.895 -5.428) 15.856 2.479 ( -4.399 18.812 9.473) 21.517 2.711 ( 5.800 19.397 -9.901) 22.537 3.163 ( -9.185 -11.822 3.972) 15.489 3.340 ( 3.583 -0.010 3.524) 5.025 3.375 ( -0.060 -6.348 -0.857) 6.406 3.504 ( 3.401 -1.158 -5.762) 6.791 3.673 ( -0.525 6.190 0.371) 6.224 3.713 ( 2.458 9.525 -0.662) 9.859 3.937 ( -4.689 -3.357 1.227) 5.896 3.963 ( -4.408 2.297 8.241) 9.624 4.131 ( -0.224 -5.618 3.323) 6.531 4.238 ( -3.165 -1.087 -0.559) 3.393 4.536 ( -7.813 0.149 5.185) 9.378 4.584 ( -8.147 2.661 3.431) 9.232 4.757 ( 2.662 2.713 -7.683) 8.572 4.800 ( 3.988 6.407 -2.072) 7.826 4.828 ( -0.891 -5.475 4.416) 7.090 5.081 ( 10.324 1.781 -3.922) 11.186 5.179 ( -3.665 1.284 8.420) 9.272 5.358 ( 0.126 4.762 -4.160) 6.324 5.595 ( 0.749 0.969 3.248) 3.471 5.678 ( 2.395 -3.414 -7.482) 8.566 6.051 ( -1.825 -1.518 3.138) 3.934 6.133 ( 1.727 -1.238 -4.431) 4.914 6.321 ( -2.461 0.037 -2.660) 3.624 6.423 ( 8.364 1.681 -4.449) 9.621 6.528 ( 4.655 -0.731 11.164) 12.117 6.627 ( -1.125 -2.526 -11.502) 11.829 6.875 ( -5.874 5.296 -3.082) 8.488 6.945 ( 6.664 6.285 4.402) 10.163 7.171 ( -3.809 1.127 -0.498) 4.003 7.213 ( 1.908 0.552 0.077) 1.988 7.336 ( -3.748 -2.624 -2.133) 5.049 7.395 ( 2.967 1.893 1.136) 3.698 7.868 ( -2.832 1.209 10.453) 10.897 7.974 ( -2.670 -2.550 9.231) 9.942 8.024 ( -0.033 1.496 -8.544) 8.674 8.176 ( 3.321 -2.965 -9.844) 10.804 8.603 ( -1.078 0.106 2.884) 3.080 8.686 ( 1.970 -1.391 -5.030) 5.578 8.986 ( -5.443 -7.779 1.932) 9.688 9.121 ( 6.283 -9.323 -0.788) 11.271 10.549 ( 0.860 -0.481 0.307) 1.032 10.558 ( 0.492 -0.820 -1.512) 1.789 11.003 ( -3.320 0.412 -1.780) 3.790 11.024 ( 1.355 -0.153 2.149) 2.545 12.802 ( 1.170 1.155 2.824) 3.268 12.833 ( 0.362 0.302 -3.395) 3.428 13.199 ( 0.199 1.529 1.129) 1.911 13.209 ( -0.275 1.270 -1.258) 1.809 14.354 ( -1.848 2.350 6.919) 7.537 14.459 ( 1.868 1.209 -3.426) 4.085 14.658 ( -1.201 -0.427 5.628) 5.771 14.762 ( 1.068 -1.768 -6.491) 6.812 16.327 ( -3.709 -2.441 0.867) 4.524 16.387 ( 1.105 -3.859 -1.351) 4.235 17.409 ( -2.149 1.925 1.405) 3.209 17.450 ( 0.526 0.824 -0.494) 1.096 21.293 ( -1.557 4.690 2.319) 5.459 21.354 ( 1.001 4.070 -3.291) 5.329 21.937 ( -3.562 2.152 3.737) 5.593 22.039 ( 1.679 -0.212 -4.133) 4.466 22.786 ( -0.734 1.204 2.536) 2.901 22.825 ( -0.140 0.417 -2.404) 2.444 22.983 ( -1.698 1.688 1.300) 2.724 23.030 ( 0.868 0.759 -1.804) 2.141 23.536 ( -1.743 2.765 5.634) 6.514 23.655 ( 4.271 -0.070 -4.022) 5.868 24.457 ( 0.024 -2.963 4.022) 4.996 24.510 ( -0.523 -3.931 -5.403) 6.702 28.283 ( -1.261 -0.469 -0.299) 1.379 28.294 ( -0.426 -0.639 -0.035) 0.769 28.328 ( 0.630 0.134 -0.145) 0.661 28.337 ( 1.163 0.156 -0.222) 1.194 28.562 ( -1.242 -1.765 0.999) 2.378 28.603 ( 1.257 -1.379 -1.554) 2.428 28.661 ( -0.606 -3.767 2.378) 4.496 28.700 ( 0.987 -3.631 -1.136) 3.930 29.782 ( 0.036 1.863 1.405) 2.334 29.799 ( -0.025 0.662 -1.151) 1.328 29.876 ( -0.826 -0.371 0.089) 0.910 29.884 ( -0.195 -0.191 -0.158) 0.316 29.942 ( -1.398 4.839 3.766) 6.289 30.057 ( 4.072 6.021 -5.072) 8.864 30.820 ( -2.566 2.873 4.933) 6.259 30.983 ( 3.394 1.574 -11.211) 11.819 32.342 ( -5.492 -1.940 0.339) 5.834 32.356 ( -7.956 -1.932 -1.575) 8.337 32.634 ( 6.395 2.100 10.032) 12.081 32.758 ( 10.935 -1.089 1.889) 11.150 48.417 ( -0.708 0.126 1.534) 1.694 48.428 ( -1.396 -0.069 0.587) 1.516 48.485 ( -0.543 0.791 0.437) 1.055 48.544 ( 2.513 -0.788 -2.277) 3.482 72.860 ( -0.532 0.156 0.092) 0.562 72.870 ( 0.258 0.117 -0.254) 0.380 72.897 ( -0.212 -0.582 0.006) 0.619 72.903 ( 0.343 -0.502 -0.023) 0.608 94.813 ( -0.018 2.694 1.991) 3.349 94.833 ( -0.471 2.472 -1.940) 3.178 95.361 ( 2.477 -5.916 10.541) 12.339 95.406 ( -5.411 -6.615 -9.081) 12.470 96.638 ( 0.372 1.235 1.553) 2.019 96.664 ( 0.111 0.696 -3.389) 3.461 97.209 ( -5.082 -5.837 5.058) 9.246 97.342 ( 1.202 -11.172 -5.174) 12.370 ======================= Grid point 166 (92/100) ======================= q-point: (-0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -7.523 15.466 22.137) 28.033 2.201 ( 0.282 14.708 7.428) 16.480 2.539 ( 4.319 10.587 7.007) 13.411 2.753 ( 4.974 16.548 -7.658) 18.900 3.003 ( -10.583 -6.879 7.682) 14.777 3.372 ( -0.691 0.397 0.457) 0.918 3.406 ( 0.451 -2.004 -0.479) 2.109 3.525 ( 1.450 8.041 -2.825) 8.646 3.741 ( 0.566 4.061 1.308) 4.304 3.763 ( 7.239 -0.794 6.046) 9.465 3.902 ( 2.746 -2.983 -0.265) 4.063 3.943 ( -4.437 0.009 14.017) 14.702 4.130 ( -6.326 -2.026 2.046) 6.950 4.206 ( 3.585 -0.992 1.687) 4.084 4.398 ( -8.478 2.167 4.998) 10.078 4.470 ( -5.432 -1.890 6.492) 8.673 4.780 ( 3.767 -1.644 -4.112) 5.814 4.836 ( 2.995 0.927 -0.069) 3.137 4.929 ( 4.195 1.353 2.297) 4.970 5.089 ( -5.829 6.612 10.387) 13.623 5.329 ( 5.978 3.518 -1.238) 7.046 5.332 ( 4.226 -1.852 -4.927) 6.750 5.610 ( 0.981 1.688 -2.991) 3.572 5.712 ( 1.756 -2.766 2.834) 4.332 5.987 ( -4.505 -2.869 -3.958) 6.648 6.059 ( -3.170 1.433 -11.658) 12.166 6.227 ( -3.771 -2.238 -5.192) 6.796 6.471 ( -4.371 2.106 -9.751) 10.891 6.535 ( 5.750 -0.493 -12.845) 14.082 6.710 ( 8.433 -2.240 6.026) 10.604 6.771 ( -3.650 7.367 -0.427) 8.232 7.046 ( -2.069 5.853 0.999) 6.288 7.139 ( 2.064 2.990 2.498) 4.409 7.230 ( 2.023 -4.520 -1.798) 5.269 7.275 ( 0.551 -1.565 0.027) 1.659 7.462 ( 2.530 0.723 2.716) 3.782 7.862 ( -3.275 -0.399 3.604) 4.886 7.905 ( -5.089 0.046 2.292) 5.581 8.044 ( 0.849 -1.516 -1.871) 2.553 8.170 ( 0.169 -5.081 -3.057) 5.932 8.598 ( -0.832 -0.266 1.841) 2.038 8.684 ( 1.379 -1.679 -3.377) 4.015 8.905 ( -3.115 -3.065 -1.046) 4.493 9.191 ( 2.344 -8.319 -5.546) 10.269 10.574 ( 1.996 -0.459 -0.717) 2.170 10.582 ( 2.423 -0.861 1.405) 2.930 10.910 ( -4.418 1.362 -2.666) 5.337 11.035 ( -1.613 -2.352 1.451) 3.200 12.836 ( 2.200 0.904 -1.882) 3.033 12.864 ( 2.540 0.892 3.236) 4.210 13.184 ( -0.944 1.331 -1.468) 2.195 13.214 ( 0.232 1.338 0.693) 1.525 14.376 ( -0.987 2.157 7.161) 7.543 14.493 ( 3.766 1.576 -2.928) 5.024 14.674 ( -1.513 -1.732 6.176) 6.590 14.741 ( 1.403 -1.935 -5.800) 6.273 16.236 ( -5.147 -0.697 -0.449) 5.213 16.374 ( -2.444 -2.976 -0.346) 3.867 17.374 ( -2.054 1.833 0.726) 2.847 17.438 ( -1.468 0.329 -0.309) 1.536 21.279 ( -1.528 5.422 2.377) 6.114 21.344 ( 0.435 4.534 -3.065) 5.491 21.880 ( -4.402 2.534 2.825) 5.812 22.010 ( -1.548 -0.065 -4.427) 4.690 22.777 ( -1.671 1.839 1.537) 2.922 22.795 ( -1.276 0.605 -2.109) 2.538 22.961 ( -1.015 0.389 0.737) 1.314 23.025 ( -0.278 0.164 -1.319) 1.358 23.559 ( 0.026 3.587 5.463) 6.536 23.723 ( 5.419 -0.238 -4.844) 7.273 24.471 ( 0.093 -3.917 -3.666) 5.366 24.473 ( -1.315 -3.870 3.254) 5.225 28.256 ( -1.092 -0.290 -0.452) 1.216 28.276 ( -0.930 -0.851 -0.313) 1.299 28.346 ( 1.024 0.142 -0.170) 1.048 28.356 ( 0.860 0.279 -0.094) 0.909 28.538 ( -1.326 -0.805 -0.097) 1.555 28.584 ( -0.983 -0.315 -2.027) 2.274 28.696 ( 1.790 -3.975 2.273) 4.917 28.728 ( 1.630 -3.128 0.652) 3.587 29.767 ( -1.215 2.643 -0.330) 2.927 29.801 ( -0.302 0.254 0.180) 0.434 29.852 ( -0.940 -0.164 -0.753) 1.215 29.885 ( 0.420 -0.540 -0.029) 0.685 29.963 ( 0.637 4.449 3.989) 6.010 30.112 ( 4.719 5.445 -4.501) 8.496 30.769 ( -4.746 3.395 1.653) 6.065 30.937 ( 0.268 2.010 -11.470) 11.648 32.154 ( -7.932 -1.298 -2.972) 8.570 32.179 ( -7.572 -1.731 -3.049) 8.345 32.981 ( 15.379 -1.530 10.104) 18.465 33.090 ( 18.291 -3.170 9.061) 20.657 48.404 ( -1.155 0.216 1.263) 1.725 48.420 ( -0.560 -0.281 2.064) 2.157 48.485 ( 0.187 1.085 0.286) 1.138 48.575 ( 2.220 -1.435 -2.212) 3.447 72.850 ( -0.506 0.056 0.028) 0.510 72.866 ( -0.453 -0.046 -0.218) 0.505 72.897 ( 0.237 -0.391 -0.013) 0.458 72.908 ( 0.189 -0.411 -0.012) 0.452 94.801 ( -0.470 2.645 -1.005) 2.868 94.833 ( -0.239 2.922 1.249) 3.187 95.277 ( -2.063 -4.252 -5.619) 7.343 95.453 ( -1.984 -7.723 12.274) 14.637 96.644 ( -0.521 0.650 1.336) 1.575 96.651 ( 1.620 0.416 -3.645) 4.010 97.121 ( -6.786 -4.302 3.063) 8.599 97.277 ( -4.493 -10.712 -3.882) 12.248 ======================= Grid point 167 (93/100) ======================= q-point: (-0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.662 13.194 28.169) 31.150 2.222 ( -2.852 18.341 8.290) 20.328 2.598 ( -0.253 -1.870 -2.324) 2.994 2.774 ( 1.217 21.496 -5.441) 22.207 3.003 ( 3.124 -0.828 14.815) 15.163 3.315 ( -4.847 2.559 -1.515) 5.686 3.343 ( -3.714 2.510 -0.115) 4.484 3.585 ( 6.336 4.862 -9.416) 12.347 3.710 ( -3.951 -1.978 8.387) 9.480 3.907 ( 2.437 1.679 4.554) 5.432 3.957 ( -1.428 -0.431 0.296) 1.520 4.044 ( 0.196 5.328 13.835) 14.827 4.141 ( 11.153 -6.510 4.760) 13.764 4.314 ( 4.644 -1.865 3.684) 6.214 4.370 ( 0.427 -3.063 5.429) 6.248 4.452 ( -0.599 -2.996 7.663) 8.249 4.811 ( 1.012 -5.511 -0.958) 5.685 4.892 ( 2.689 -1.125 1.106) 3.118 4.996 ( -0.772 5.428 5.162) 7.530 5.071 ( -1.611 3.737 6.472) 7.645 5.308 ( -2.095 6.141 4.294) 7.781 5.441 ( 3.461 -6.382 -4.693) 8.645 5.609 ( 2.643 4.737 -4.547) 7.078 5.740 ( -2.709 -3.152 3.007) 5.130 5.818 ( -5.360 1.410 -15.711) 16.660 5.927 ( -2.435 0.535 -5.319) 5.874 6.115 ( -3.439 0.098 -7.914) 8.629 6.283 ( -4.870 -0.881 -14.103) 14.946 6.537 ( 3.649 2.212 -10.213) 11.068 6.678 ( -6.546 9.889 -0.909) 11.894 6.945 ( 9.069 -4.516 12.043) 15.738 7.014 ( 2.507 -1.506 -3.457) 4.529 7.140 ( -1.803 -1.300 -1.074) 2.469 7.335 ( 5.000 1.232 0.145) 5.151 7.353 ( 5.045 -0.509 8.073) 9.533 7.528 ( 2.027 0.060 2.662) 3.346 7.780 ( -3.474 -1.722 -5.582) 6.797 7.853 ( -2.709 -2.512 1.762) 4.093 7.985 ( -3.128 -4.006 -4.174) 6.577 8.115 ( -4.392 -2.069 -3.677) 6.090 8.610 ( 0.715 -0.620 2.655) 2.818 8.706 ( 2.158 -1.491 -0.114) 2.625 8.858 ( -0.927 0.088 -1.821) 2.045 9.107 ( -4.991 -4.252 -10.364) 12.264 10.616 ( 2.630 0.151 0.014) 2.634 10.680 ( 5.817 -2.428 3.701) 7.310 10.811 ( -3.979 1.185 -2.225) 4.711 10.989 ( -3.690 -4.015 0.245) 5.459 12.881 ( 3.414 1.518 -0.882) 3.839 12.928 ( 1.285 1.382 2.859) 3.425 13.159 ( -0.344 1.169 -0.990) 1.570 13.215 ( -0.507 0.889 -0.193) 1.041 14.413 ( -0.830 1.754 7.860) 8.096 14.544 ( 3.693 1.776 -3.675) 5.505 14.681 ( -2.097 -3.422 5.266) 6.621 14.737 ( 1.992 -2.211 -4.703) 5.566 16.159 ( -2.049 1.697 0.182) 2.667 16.293 ( -5.273 -0.748 -0.556) 5.354 17.351 ( -0.550 1.048 0.402) 1.250 17.398 ( -2.356 0.115 0.095) 2.361 21.272 ( -0.817 6.176 2.071) 6.565 21.331 ( 0.542 5.277 -3.090) 6.139 21.826 ( -2.834 2.766 2.529) 4.699 21.933 ( -3.033 0.960 -3.581) 4.790 22.750 ( -1.824 2.105 0.816) 2.903 22.757 ( -1.082 1.180 -1.437) 2.152 22.959 ( 0.257 -0.565 0.505) 0.800 23.006 ( -0.635 -0.843 -1.223) 1.615 23.601 ( -0.278 4.122 6.468) 7.675 23.773 ( 3.629 -0.048 -6.224) 7.205 24.456 ( -3.170 -4.553 4.037) 6.861 24.464 ( 2.295 -4.282 -4.320) 6.501 28.240 ( -0.316 -0.315 -0.294) 0.534 28.258 ( -0.692 -1.042 -0.506) 1.349 28.361 ( 0.713 0.187 -0.311) 0.800 28.368 ( 0.319 0.638 0.138) 0.726 28.518 ( -0.644 1.158 -0.024) 1.325 28.554 ( -0.913 1.057 -1.479) 2.034 28.740 ( 1.028 -4.286 2.093) 4.879 28.760 ( 1.353 -3.395 0.298) 3.667 29.746 ( -1.019 2.308 0.660) 2.608 29.784 ( -0.971 0.082 -0.774) 1.244 29.845 ( 0.675 -0.121 -0.665) 0.956 29.886 ( -0.276 -0.661 -0.604) 0.937 30.014 ( 1.138 4.540 4.972) 6.828 30.160 ( 3.579 5.043 -5.065) 7.993 30.688 ( -4.413 3.287 1.822) 5.796 30.852 ( -0.604 2.020 -10.666) 10.873 32.017 ( -6.186 -0.847 2.105) 6.589 32.065 ( -1.548 -2.250 -5.744) 6.360 33.292 ( 10.255 -2.607 9.184) 14.011 33.461 ( 13.143 -7.998 4.004) 15.898 48.400 ( -0.402 0.230 1.634) 1.698 48.428 ( 0.066 -0.316 1.100) 1.146 48.497 ( 0.536 0.518 1.376) 1.565 48.591 ( 1.017 -1.809 -2.479) 3.233 72.843 ( -0.174 0.022 0.024) 0.176 72.854 ( -0.582 -0.089 -0.103) 0.598 72.903 ( 0.304 -0.303 -0.021) 0.430 72.910 ( -0.015 -0.355 -0.010) 0.356 94.799 ( 0.755 3.236 -0.321) 3.339 94.831 ( -0.728 3.466 0.754) 3.621 95.278 ( 5.846 -4.684 -3.069) 8.096 95.437 ( -8.153 -7.553 10.877) 15.551 96.649 ( -0.030 0.153 2.024) 2.030 96.680 ( 3.514 -0.873 -2.926) 4.655 97.019 ( -4.695 -3.040 1.193) 5.719 97.137 ( -7.727 -7.877 -1.363) 11.118 ======================= Grid point 168 (94/100) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -0.024 9.241 14.298) 17.024 2.276 ( 0.904 -5.589 -2.297) 6.109 2.795 ( 4.571 7.251 12.347) 15.031 2.910 ( 2.099 -2.872 0.924) 3.675 3.241 ( -3.883 4.369 4.941) 7.654 3.320 ( 2.801 4.360 0.215) 5.187 3.434 ( 1.035 3.788 -5.012) 6.367 3.493 ( -0.243 -3.324 -6.541) 7.341 3.870 ( 2.082 8.796 6.395) 11.073 3.973 ( 1.506 4.245 -2.308) 5.062 4.030 ( -0.111 2.111 9.035) 9.279 4.213 ( 2.671 -6.533 -4.746) 8.505 4.245 ( 0.555 3.145 0.555) 3.241 4.300 ( 0.603 -1.928 -3.594) 4.123 4.449 ( -2.807 9.378 8.908) 13.236 4.553 ( 6.052 1.695 1.840) 6.548 4.699 ( 5.817 -9.544 0.246) 11.180 4.729 ( 0.617 -13.785 -2.480) 14.019 5.082 ( -5.123 7.035 4.131) 9.633 5.152 ( 0.285 4.300 0.067) 4.310 5.237 ( 2.448 -7.531 2.805) 8.401 5.336 ( -7.503 -9.659 -5.687) 13.488 5.561 ( -2.270 6.281 10.258) 12.240 5.681 ( -3.476 -3.327 5.809) 7.543 5.913 ( 4.537 8.781 -5.193) 11.165 5.959 ( -1.352 4.768 -3.643) 6.151 6.044 ( -2.188 1.490 -6.737) 7.239 6.096 ( 0.060 -3.043 -12.356) 12.726 6.659 ( -1.626 6.020 0.255) 6.241 6.711 ( -1.240 6.727 -5.875) 9.017 6.918 ( -3.344 -4.892 6.513) 8.806 7.001 ( 6.292 -5.426 -3.142) 8.883 7.197 ( 2.560 -0.045 4.545) 5.217 7.304 ( -6.198 -8.901 -3.863) 11.514 7.383 ( -3.662 -0.273 1.750) 4.068 7.399 ( 3.745 -2.778 1.058) 4.782 7.773 ( -1.226 3.442 1.391) 3.909 7.812 ( 2.092 -0.330 -1.873) 2.827 7.957 ( 4.007 1.128 -2.173) 4.696 7.984 ( 0.174 -1.106 -4.541) 4.677 8.692 ( 2.227 1.706 3.868) 4.778 8.728 ( 1.329 -1.009 2.516) 3.019 8.829 ( -1.800 0.668 -3.897) 4.344 8.873 ( -4.284 -2.801 -6.535) 8.301 10.703 ( 3.325 1.806 2.246) 4.400 10.749 ( 2.249 -1.106 0.875) 2.655 10.760 ( -1.427 0.469 -0.116) 1.507 10.819 ( -3.463 -3.474 -2.733) 5.615 12.966 ( -0.504 1.676 1.146) 2.092 12.979 ( 1.694 0.533 -0.193) 1.787 13.175 ( 0.682 -0.093 0.027) 0.689 13.181 ( -1.285 -0.699 -0.486) 1.541 14.493 ( -3.183 3.357 7.779) 9.051 14.572 ( -3.502 -3.683 6.451) 8.212 14.631 ( 2.743 2.751 -5.314) 6.583 14.696 ( 3.348 -3.015 -5.336) 6.984 16.206 ( 0.701 0.925 0.525) 1.274 16.215 ( -0.477 0.043 -0.499) 0.692 17.364 ( 0.048 0.177 0.547) 0.577 17.365 ( -0.810 0.107 0.436) 0.926 21.383 ( 0.075 3.251 0.542) 3.297 21.404 ( 0.768 1.376 -1.608) 2.251 21.873 ( -0.090 2.098 1.110) 2.375 21.894 ( -0.559 0.198 -1.016) 1.176 22.775 ( -1.014 2.394 1.388) 2.947 22.791 ( 0.025 1.701 0.115) 1.705 22.933 ( 0.029 -1.373 -0.515) 1.466 22.952 ( 0.960 -2.294 -2.064) 3.231 23.717 ( -1.659 3.805 4.234) 5.930 23.770 ( -0.434 -1.020 -0.869) 1.408 24.360 ( -0.645 -0.883 0.150) 1.104 24.393 ( 2.259 -3.737 -2.960) 5.275 28.230 ( -0.046 -0.134 -0.105) 0.176 28.233 ( 0.008 -0.396 -0.395) 0.560 28.376 ( -0.080 0.383 0.195) 0.437 28.380 ( 0.042 0.094 -0.148) 0.180 28.558 ( -0.131 2.168 1.101) 2.436 28.575 ( 0.177 1.263 -0.431) 1.346 28.680 ( -0.239 -2.167 0.477) 2.232 28.699 ( 0.339 -3.228 -1.230) 3.471 29.761 ( -0.551 0.650 0.657) 1.076 29.770 ( 0.043 -0.172 -0.153) 0.234 29.860 ( 0.079 0.237 -0.263) 0.363 29.864 ( -0.231 -0.168 -0.695) 0.751 30.156 ( -0.849 4.029 4.977) 6.459 30.212 ( -0.272 -0.744 0.101) 0.798 30.720 ( -0.257 4.164 -3.311) 5.326 30.791 ( 1.814 -1.888 -9.366) 9.725 31.954 ( -1.379 0.694 1.333) 2.040 31.982 ( 0.290 -1.904 -1.536) 2.463 33.413 ( 0.401 -0.715 5.726) 5.784 33.449 ( -0.165 -4.103 2.329) 4.721 48.416 ( -0.244 0.625 1.959) 2.071 48.430 ( 0.280 -0.580 0.999) 1.189 48.520 ( 0.206 0.618 -0.194) 0.680 48.544 ( 0.091 -1.491 -2.161) 2.627 72.844 ( 0.010 0.014 0.027) 0.032 72.844 ( -0.005 -0.058 -0.059) 0.083 72.902 ( -0.083 -0.143 -0.025) 0.168 72.902 ( 0.093 -0.142 -0.023) 0.171 94.888 ( -1.880 3.509 1.515) 4.259 94.908 ( 1.371 2.234 -0.412) 2.654 95.224 ( -3.529 -2.153 3.086) 5.159 95.274 ( 6.457 -6.380 -1.883) 9.271 96.662 ( -0.950 0.788 1.204) 1.724 96.685 ( 0.552 -1.250 -1.194) 1.815 96.932 ( -1.140 -0.833 2.004) 2.451 96.949 ( -0.145 -2.254 0.220) 2.270 ======================= Grid point 169 (95/100) ======================= q-point: ( 0.14 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 6.102 6.209 9.630) 12.981 2.332 ( 7.641 -0.070 -7.901) 10.991 2.859 ( -1.581 2.889 -6.086) 6.920 2.920 ( 1.158 0.223 -3.642) 3.828 3.222 ( -1.578 7.808 3.830) 8.838 3.367 ( 0.917 -0.066 2.708) 2.860 3.440 ( 2.575 1.010 -4.453) 5.242 3.480 ( 2.916 0.303 -4.183) 5.108 3.894 ( -3.028 6.804 -4.528) 8.716 3.927 ( -0.487 7.170 1.018) 7.258 4.077 ( -3.831 -1.908 2.873) 5.155 4.198 ( 3.037 0.970 -7.566) 8.210 4.282 ( -1.744 0.624 -2.307) 2.959 4.322 ( 5.234 -1.988 -2.137) 5.993 4.359 ( -6.073 3.921 0.616) 7.255 4.550 ( -5.407 -5.071 -0.315) 7.420 4.722 ( 4.642 -6.600 -9.960) 12.819 4.779 ( 2.830 -6.063 -3.595) 7.596 5.010 ( -5.876 3.652 7.511) 10.212 5.151 ( -6.947 -7.740 -0.456) 10.410 5.271 ( 7.752 4.460 3.135) 9.477 5.404 ( 8.653 -7.463 8.820) 14.434 5.556 ( -6.957 6.938 9.243) 13.490 5.655 ( -2.370 -1.271 5.271) 5.917 5.876 ( -2.247 5.097 -3.435) 6.544 5.918 ( -1.554 0.927 -4.981) 5.300 6.040 ( 5.000 4.917 3.413) 7.799 6.100 ( 4.264 -1.492 -4.685) 6.508 6.582 ( -2.037 7.569 -0.457) 7.852 6.781 ( 3.390 -5.136 3.511) 7.085 6.860 ( -4.529 3.972 0.576) 6.051 7.042 ( -4.979 -8.166 -5.871) 11.223 7.115 ( 0.344 5.000 1.540) 5.243 7.238 ( -1.922 -5.179 3.442) 6.509 7.441 ( 4.279 -1.681 2.153) 5.076 7.477 ( 0.802 -4.452 -1.670) 4.822 7.705 ( -2.746 1.324 2.211) 3.766 7.724 ( -3.768 -0.050 -1.443) 4.035 8.086 ( 9.287 1.736 -4.935) 10.659 8.102 ( 9.267 0.564 -2.560) 9.631 8.654 ( -4.128 0.599 -2.088) 4.665 8.687 ( -4.932 -2.023 -1.757) 5.613 8.830 ( 1.896 1.325 1.896) 2.991 8.879 ( 3.037 -2.764 4.225) 5.892 10.658 ( -3.729 1.448 -2.436) 4.683 10.698 ( -4.606 -2.310 -3.203) 6.067 10.806 ( 4.252 2.610 2.416) 5.543 10.877 ( 4.715 -3.994 2.206) 6.561 12.923 ( -3.370 2.920 -0.287) 4.468 12.975 ( -1.747 -1.604 -1.604) 2.864 13.175 ( 0.765 1.273 0.343) 1.524 13.203 ( 1.524 -1.022 0.522) 1.907 14.466 ( -4.444 2.746 6.235) 8.134 14.530 ( -4.838 -3.043 5.822) 8.159 14.655 ( 3.153 3.166 -5.026) 6.724 14.726 ( 3.276 -3.213 -5.089) 6.853 16.210 ( 1.297 2.332 -0.186) 2.675 16.259 ( 3.169 -2.090 -0.113) 3.798 17.371 ( 0.967 0.900 0.759) 1.524 17.385 ( 1.397 -0.450 0.982) 1.766 21.386 ( -0.099 3.098 0.350) 3.119 21.407 ( 0.787 1.300 -1.932) 2.458 21.896 ( 1.716 1.724 0.784) 2.556 21.910 ( 2.476 0.524 0.045) 2.531 22.774 ( -0.241 2.474 1.611) 2.962 22.802 ( 0.765 0.886 0.595) 1.313 22.941 ( 1.391 -0.540 -0.788) 1.688 22.971 ( 2.230 -2.190 -1.636) 3.528 23.690 ( -4.070 3.228 4.326) 6.760 23.736 ( -2.741 -0.826 0.323) 2.881 24.361 ( 0.823 0.598 -0.410) 1.097 24.423 ( 2.979 -4.859 -3.270) 6.571 28.233 ( 0.461 -0.081 0.021) 0.469 28.236 ( 0.584 -0.447 -0.092) 0.741 28.367 ( -0.802 0.518 0.086) 0.959 28.375 ( -0.564 -0.127 -0.040) 0.579 28.559 ( -0.404 2.356 0.815) 2.526 28.575 ( 0.181 1.408 -0.670) 1.570 28.668 ( -1.432 -2.417 0.650) 2.883 28.687 ( -0.787 -3.693 -1.015) 3.910 29.766 ( 0.409 1.096 0.973) 1.522 29.783 ( 1.223 -0.443 0.166) 1.312 29.844 ( -0.936 0.578 -0.077) 1.102 29.861 ( -0.332 -0.862 0.077) 0.927 30.150 ( -2.807 3.416 3.688) 5.758 30.189 ( -1.822 0.173 -0.430) 1.880 30.731 ( 2.588 4.162 -0.331) 4.912 30.804 ( 4.968 -2.119 -5.981) 8.059 31.971 ( 1.730 1.349 2.456) 3.293 32.011 ( 3.419 -2.370 -0.163) 4.163 33.344 ( -9.956 -0.887 0.641) 10.016 33.367 ( -9.076 -2.974 1.081) 9.612 48.422 ( -0.228 0.889 1.124) 1.451 48.440 ( 0.416 -0.625 -0.067) 0.754 48.521 ( -0.272 -0.216 0.431) 0.553 48.529 ( -0.114 -0.758 -1.915) 2.063 72.845 ( 0.291 0.173 -0.010) 0.338 72.850 ( 0.485 -0.224 -0.014) 0.534 72.899 ( -0.237 -0.007 -0.017) 0.238 72.902 ( -0.084 -0.282 -0.014) 0.295 94.851 ( -2.452 3.532 1.298) 4.491 94.905 ( -1.332 -0.500 0.199) 1.436 95.211 ( 0.814 4.480 -0.123) 4.555 95.388 ( 6.814 -11.094 -4.997) 13.945 96.637 ( -2.006 1.510 1.436) 2.892 96.671 ( -0.665 -1.531 -0.890) 1.891 96.974 ( 3.989 -0.433 1.520) 4.291 97.001 ( 3.864 -3.005 1.277) 5.058 ======================= Grid point 170 (96/100) ======================= q-point: ( 0.29 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 4.851 9.494 -12.658) 16.550 2.438 ( 6.014 6.656 0.949) 9.020 2.755 ( -1.198 -0.764 -14.134) 14.205 2.854 ( -2.025 -5.571 -8.187) 10.108 3.215 ( -3.080 7.347 4.473) 9.136 3.383 ( -2.496 -0.376 4.450) 5.117 3.438 ( -0.346 0.183 -7.397) 7.407 3.485 ( -0.007 -0.050 -4.884) 4.885 3.830 ( 1.086 2.943 -5.531) 6.359 3.905 ( -1.025 2.574 -3.614) 4.554 3.934 ( -7.366 1.881 -3.478) 8.360 4.090 ( -9.020 2.218 -1.368) 9.389 4.203 ( 1.780 2.957 -4.207) 5.442 4.320 ( -2.231 1.247 2.006) 3.249 4.473 ( 8.273 0.528 0.079) 8.290 4.532 ( 5.061 -5.643 0.323) 7.586 4.736 ( 3.240 -1.363 -8.745) 9.425 4.787 ( 1.998 -3.902 -5.730) 7.215 4.948 ( -6.021 1.393 6.691) 9.109 5.038 ( -6.994 -6.341 6.257) 11.326 5.402 ( 3.783 5.064 -3.534) 7.242 5.430 ( -7.701 5.249 3.130) 9.831 5.604 ( 2.094 1.088 4.209) 4.825 5.703 ( 1.572 -6.307 11.191) 12.941 5.843 ( 2.309 2.020 -4.166) 5.174 5.885 ( 1.262 -2.111 1.355) 2.807 6.167 ( 6.465 2.944 0.626) 7.132 6.203 ( 5.401 0.507 7.157) 8.980 6.560 ( -1.969 7.479 0.073) 7.734 6.733 ( -5.350 -4.638 -2.591) 7.540 6.835 ( -1.335 2.812 4.021) 5.085 6.968 ( 1.330 -7.966 2.705) 8.517 7.207 ( 4.369 5.038 0.504) 6.687 7.238 ( 0.037 2.731 1.017) 2.914 7.370 ( -5.234 0.853 -6.356) 8.277 7.467 ( -0.346 -4.437 -0.747) 4.512 7.741 ( 1.695 -0.035 6.655) 6.868 7.769 ( 3.601 -3.889 6.076) 8.063 8.170 ( 3.687 2.941 -7.426) 8.797 8.210 ( 4.522 -0.798 -6.599) 8.039 8.596 ( -1.913 -0.789 1.059) 2.324 8.607 ( -0.509 -1.878 -1.958) 2.760 8.870 ( 0.731 1.693 1.958) 2.689 8.940 ( -0.518 -4.438 4.400) 6.271 10.582 ( -2.559 0.509 -1.829) 3.186 10.601 ( -3.004 -1.338 -2.879) 4.370 10.904 ( 4.072 2.691 2.586) 5.523 10.969 ( 3.413 -3.384 1.695) 5.096 12.858 ( -2.768 2.738 -0.597) 3.939 12.913 ( -2.683 -2.137 -2.503) 4.246 13.199 ( 1.009 1.783 0.738) 2.177 13.228 ( 0.713 -0.666 0.175) 0.991 14.426 ( -3.766 2.645 5.529) 7.193 14.483 ( -3.774 -2.406 4.674) 6.471 14.673 ( 1.964 3.035 -4.046) 5.426 14.742 ( 2.229 -3.112 -5.526) 6.722 16.250 ( 2.526 2.151 0.106) 3.319 16.309 ( 2.021 -3.335 -0.301) 3.911 17.406 ( 1.932 1.142 0.896) 2.417 17.422 ( 1.463 -0.359 1.260) 1.965 21.385 ( -0.291 2.847 0.558) 2.916 21.407 ( 0.649 0.988 -1.870) 2.212 21.946 ( 2.633 1.775 0.697) 3.251 21.966 ( 3.044 0.027 -0.178) 3.049 22.786 ( 0.184 2.209 1.815) 2.865 22.822 ( 0.752 -0.371 0.509) 0.982 22.975 ( 2.655 0.758 -0.814) 2.879 23.007 ( 2.292 -1.370 -1.055) 2.871 23.636 ( -4.286 2.793 3.862) 6.410 23.680 ( -3.442 -0.984 1.002) 3.717 24.381 ( 1.385 1.211 -0.442) 1.893 24.451 ( 2.192 -4.972 -3.511) 6.469 28.249 ( 1.150 -0.010 0.092) 1.153 28.253 ( 1.150 -0.511 0.205) 1.275 28.351 ( -0.938 0.454 0.005) 1.042 28.359 ( -1.048 -0.205 -0.040) 1.069 28.557 ( -0.093 2.031 0.303) 2.056 28.573 ( 0.076 1.105 -0.242) 1.133 28.638 ( -1.929 -2.603 0.285) 3.252 28.657 ( -1.714 -3.783 -0.498) 4.183 29.784 ( 0.387 1.658 1.189) 2.077 29.807 ( 0.802 -0.473 0.016) 0.931 29.839 ( 0.692 0.182 0.497) 0.871 29.855 ( -0.228 -1.234 0.469) 1.340 30.112 ( -3.167 3.564 2.510) 5.388 30.148 ( -1.940 0.513 -0.570) 2.086 30.800 ( 3.856 4.386 1.249) 5.972 30.877 ( 5.939 -2.315 -4.305) 7.692 32.056 ( 4.925 2.123 4.505) 7.004 32.111 ( 6.555 -2.942 1.991) 7.456 33.091 ( -14.998 0.562 -2.514) 15.217 33.127 ( -15.343 -2.658 -1.903) 15.687 48.424 ( -0.131 0.934 0.714) 1.184 48.444 ( 0.154 -0.721 -0.390) 0.834 48.514 ( -0.358 -0.163 -0.377) 0.545 48.517 ( -0.169 -0.385 -0.876) 0.972 72.854 ( 0.602 0.283 -0.024) 0.666 72.861 ( 0.621 -0.288 -0.002) 0.685 72.893 ( -0.359 0.061 -0.001) 0.365 72.899 ( -0.290 -0.397 0.001) 0.491 94.830 ( -0.751 3.066 1.743) 3.607 94.887 ( -0.592 -1.487 0.813) 1.795 95.226 ( 0.957 6.379 -1.446) 6.610 95.430 ( 1.747 -11.812 -7.002) 13.842 96.627 ( 0.134 2.138 1.312) 2.512 96.665 ( 0.672 -1.318 -0.715) 1.643 97.073 ( 4.976 -2.129 0.499) 5.436 97.082 ( 3.049 -3.009 1.892) 4.683 ======================= Grid point 171 (97/100) ======================= q-point: ( 0.43 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 1.299 15.670 -11.984) 19.770 2.421 ( -5.792 16.675 -9.839) 20.209 2.655 ( 0.596 -9.664 -6.092) 11.440 2.767 ( -3.553 -11.447 -7.293) 14.030 3.169 ( -3.305 3.914 3.822) 6.392 3.285 ( -5.596 -4.157 -4.975) 8.565 3.380 ( -1.521 4.168 0.497) 4.465 3.437 ( 0.199 -1.897 -4.874) 5.234 3.793 ( -1.590 5.313 2.022) 5.903 3.843 ( -3.617 2.127 0.269) 4.205 3.933 ( 6.123 -0.258 -3.784) 7.203 3.992 ( -2.304 -3.180 -1.431) 4.180 4.214 ( -3.158 8.412 6.265) 10.954 4.280 ( 0.019 2.022 -1.118) 2.311 4.603 ( 1.964 -0.429 3.627) 4.147 4.644 ( 2.595 -3.672 1.811) 4.847 4.732 ( 2.076 2.448 -3.705) 4.902 4.790 ( 1.406 -3.682 -5.670) 6.905 4.907 ( 2.222 2.560 -0.745) 3.471 4.955 ( -4.715 -0.576 2.378) 5.312 5.325 ( -7.206 4.237 7.920) 11.516 5.395 ( -0.815 -0.962 -1.933) 2.308 5.606 ( 0.166 3.234 -2.370) 4.013 5.685 ( -2.914 -3.881 -4.915) 6.907 5.949 ( 4.626 -1.127 4.743) 6.721 5.992 ( 5.860 -3.751 1.318) 7.082 6.311 ( 7.758 3.552 1.167) 8.612 6.351 ( 5.301 -0.495 3.869) 6.582 6.500 ( -3.633 5.685 2.154) 7.082 6.626 ( -3.211 -5.107 -3.752) 7.104 6.907 ( 4.855 5.290 5.045) 8.775 7.046 ( 3.407 -6.928 3.513) 8.482 7.134 ( -6.024 3.779 -2.394) 7.503 7.215 ( -3.733 -3.313 -4.730) 6.876 7.375 ( 4.753 6.715 1.590) 8.379 7.458 ( -0.872 -0.376 -0.354) 1.013 7.822 ( 0.734 0.021 9.366) 9.395 7.859 ( 0.042 -4.102 8.670) 9.591 8.141 ( 0.191 2.028 -9.809) 10.019 8.179 ( -0.400 -1.701 -10.880) 11.020 8.599 ( 0.824 0.765 2.162) 2.436 8.628 ( 2.496 -1.823 -0.872) 3.211 8.896 ( 1.642 -1.784 0.315) 2.445 8.922 ( -2.997 -4.105 2.117) 5.506 10.541 ( -0.721 0.104 -0.674) 0.992 10.551 ( -0.808 -0.816 -1.377) 1.793 10.986 ( 2.542 1.595 2.001) 3.607 11.021 ( 0.979 -1.696 0.687) 2.075 12.819 ( -0.925 1.860 -0.193) 2.086 12.855 ( -1.352 -1.385 -2.474) 3.141 13.218 ( 0.396 1.360 0.739) 1.598 13.234 ( 0.045 -0.072 -0.202) 0.219 14.406 ( -2.409 2.722 5.807) 6.850 14.457 ( -1.838 -1.712 3.455) 4.272 14.674 ( 0.741 2.480 -2.732) 3.764 14.735 ( 1.256 -2.856 -5.772) 6.561 16.295 ( 1.698 0.320 0.523) 1.805 16.325 ( -0.037 -2.570 -0.426) 2.605 17.444 ( 0.933 0.760 1.020) 1.578 17.449 ( 0.532 0.215 0.915) 1.080 21.383 ( -0.533 2.722 0.935) 2.927 21.406 ( 0.514 0.693 -1.586) 1.806 21.988 ( 0.783 1.614 1.131) 2.121 22.011 ( 2.210 -0.442 -1.497) 2.706 22.802 ( 0.083 1.705 1.902) 2.555 22.833 ( 0.219 -0.773 -0.112) 0.811 23.018 ( 1.981 1.036 -0.548) 2.302 23.033 ( 0.890 -0.094 -0.831) 1.221 23.596 ( -2.441 2.414 3.772) 5.100 23.634 ( -1.393 -0.916 0.284) 1.692 24.402 ( 0.908 0.584 0.007) 1.079 24.454 ( 0.752 -4.042 -3.488) 5.391 28.274 ( 1.226 -0.052 0.131) 1.234 28.278 ( 0.997 -0.441 0.210) 1.111 28.334 ( -0.579 0.271 -0.154) 0.657 28.338 ( -0.914 -0.059 -0.112) 0.923 28.562 ( -0.083 1.356 0.900) 1.629 28.572 ( 0.085 0.900 -0.315) 0.957 28.609 ( -1.027 -2.799 0.284) 2.995 28.622 ( -1.055 -3.550 -0.747) 3.778 29.793 ( 0.086 1.243 0.896) 1.534 29.811 ( -0.063 -0.331 -0.270) 0.432 29.864 ( 0.928 -0.296 0.369) 1.042 29.867 ( 0.821 -0.525 0.640) 1.166 30.074 ( -2.713 4.014 3.076) 5.739 30.116 ( -0.577 0.510 -1.069) 1.318 30.874 ( 2.841 4.256 0.681) 5.163 30.950 ( 5.110 -2.315 -5.943) 8.172 32.221 ( 7.598 2.226 7.389) 10.830 32.278 ( 7.771 -3.097 4.347) 9.428 32.787 ( -13.477 0.823 -3.249) 13.888 32.810 ( -13.982 -1.220 -4.153) 14.637 48.426 ( -0.493 0.648 1.172) 1.427 48.440 ( -0.616 -0.578 0.329) 0.907 48.505 ( -0.243 0.309 -0.350) 0.526 48.513 ( 0.867 -0.406 -1.763) 2.006 72.866 ( 0.613 0.288 -0.057) 0.680 72.870 ( 0.189 0.006 0.014) 0.190 72.888 ( -0.087 -0.178 -0.008) 0.198 72.892 ( -0.415 -0.456 0.012) 0.617 94.845 ( 0.641 2.924 2.402) 3.838 94.891 ( 0.115 -0.507 0.502) 0.722 95.230 ( 0.364 3.041 0.269) 3.074 95.370 ( -2.296 -9.084 -6.833) 11.596 96.650 ( 1.003 1.814 0.855) 2.243 96.677 ( 0.815 -0.625 -0.978) 1.418 97.130 ( 0.280 -2.446 2.258) 3.341 97.148 ( 2.664 -4.249 -0.565) 5.047 ======================= Grid point 172 (98/100) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -12.477 20.728 2.274) 24.300 2.380 ( 6.162 15.327 -5.043) 17.272 2.601 ( -8.904 -17.955 -1.150) 20.074 2.661 ( 0.015 -8.229 3.512) 8.947 3.178 ( 1.731 0.029 3.795) 4.171 3.245 ( 3.932 2.559 -2.681) 5.404 3.319 ( -4.934 3.633 2.512) 6.623 3.483 ( 6.428 -3.778 -3.326) 8.164 3.781 ( -2.445 2.910 3.325) 5.050 3.824 ( -0.398 -0.156 2.957) 2.988 3.903 ( -5.085 2.355 -1.329) 5.759 4.000 ( 1.895 -5.551 -1.031) 5.956 4.175 ( -2.993 13.341 4.743) 14.472 4.323 ( 2.470 4.063 0.432) 4.774 4.567 ( -7.398 1.251 6.104) 9.672 4.627 ( -6.496 -3.654 5.427) 9.220 4.690 ( -5.212 0.349 -2.637) 5.851 4.760 ( 0.837 -2.858 -4.947) 5.774 4.958 ( 6.034 6.301 -3.915) 9.562 5.046 ( 11.111 -2.986 -5.261) 12.651 5.260 ( -6.060 5.317 10.784) 13.464 5.386 ( 0.180 -3.856 1.834) 4.274 5.616 ( 0.447 0.112 -3.070) 3.104 5.623 ( 1.632 -0.472 -1.209) 2.086 6.002 ( -0.554 -0.747 -1.093) 1.435 6.050 ( 1.258 -4.559 -4.450) 6.494 6.383 ( -1.015 4.818 -5.289) 7.226 6.457 ( 7.532 -0.099 -5.599) 9.386 6.531 ( 3.438 0.576 6.375) 7.266 6.561 ( -0.875 -2.922 -3.054) 4.316 6.993 ( -5.341 5.807 -3.035) 8.453 7.056 ( 6.445 3.949 4.214) 8.654 7.110 ( -1.824 -4.858 -0.888) 5.264 7.154 ( 3.118 -5.061 -0.396) 5.957 7.385 ( -5.611 5.619 0.702) 7.972 7.450 ( 0.465 0.812 0.589) 1.106 7.877 ( -2.622 0.041 9.240) 9.605 7.908 ( -1.164 -3.046 9.301) 9.856 8.054 ( -1.820 1.325 -7.800) 8.118 8.099 ( -0.160 -3.276 -8.431) 9.046 8.622 ( 0.192 1.482 -0.043) 1.495 8.655 ( 1.316 -1.513 -3.254) 3.822 8.892 ( -0.347 -0.570 0.883) 1.107 8.953 ( 4.373 -5.809 -0.655) 7.301 10.541 ( 0.888 -0.162 -0.238) 0.933 10.544 ( 0.732 -0.429 -0.837) 1.192 11.010 ( -2.042 0.314 -0.488) 2.123 11.018 ( -0.440 -0.354 0.871) 1.038 12.822 ( 1.078 0.748 0.719) 1.497 12.834 ( 0.654 -0.274 -1.688) 1.831 13.225 ( -0.136 0.794 0.510) 0.953 13.229 ( -0.235 0.442 -0.261) 0.565 14.414 ( -1.260 2.948 6.121) 6.910 14.463 ( 0.323 -1.190 2.377) 2.678 14.667 ( -0.154 1.510 -0.855) 1.742 14.714 ( 0.736 -2.531 -5.346) 5.960 16.298 ( -2.046 -0.167 0.308) 2.076 16.320 ( 0.048 -2.207 -0.029) 2.207 17.443 ( -1.452 1.175 0.953) 2.097 17.457 ( -0.477 -0.180 0.297) 0.590 21.378 ( -0.695 2.889 1.203) 3.206 21.405 ( 0.366 0.559 -1.276) 1.440 21.985 ( -1.782 2.195 0.819) 2.943 22.023 ( 0.213 -1.306 -2.007) 2.404 22.813 ( -0.335 1.142 1.742) 2.110 22.828 ( -0.400 -0.232 -0.559) 0.726 23.017 ( -1.568 1.289 -0.504) 2.091 23.035 ( -0.171 -0.353 -1.001) 1.075 23.599 ( 0.198 2.856 3.207) 4.299 23.644 ( 2.426 -1.217 -0.360) 2.738 24.412 ( -0.162 -0.765 0.619) 0.997 24.434 ( -0.327 -2.718 -3.138) 4.164 28.278 ( -0.949 -0.022 -0.243) 0.980 28.282 ( -0.610 -0.396 -0.165) 0.746 28.333 ( 0.701 0.289 -0.082) 0.762 28.338 ( 1.018 -0.109 -0.145) 1.034 28.548 ( -1.257 0.673 1.138) 1.825 28.587 ( -1.339 -2.467 0.755) 2.906 28.595 ( 2.161 0.318 -0.552) 2.252 28.631 ( 1.903 -2.649 -0.797) 3.357 29.803 ( 0.273 0.505 0.548) 0.794 29.808 ( 0.041 0.085 -0.507) 0.516 29.870 ( -0.555 -0.046 -0.187) 0.588 29.875 ( -0.098 -0.441 -0.237) 0.510 30.059 ( -1.324 4.852 3.887) 6.357 30.119 ( 1.503 -0.294 -0.586) 1.639 30.902 ( 0.383 4.271 -2.090) 4.770 30.976 ( 2.998 -2.191 -9.010) 9.745 32.315 ( -6.353 -0.505 0.402) 6.385 32.322 ( -7.174 -1.108 -0.537) 7.279 32.682 ( 6.853 2.250 6.271) 9.558 32.727 ( 8.775 -1.845 3.631) 9.674 48.420 ( -1.088 0.219 1.723) 2.049 48.425 ( -1.434 -0.196 1.374) 1.995 48.504 ( 0.636 0.968 -0.981) 1.518 48.525 ( 1.618 -0.957 -1.870) 2.651 72.865 ( -0.569 0.340 0.028) 0.664 72.871 ( -0.189 -0.111 -0.089) 0.237 72.888 ( 0.148 -0.130 -0.010) 0.198 72.892 ( 0.431 -0.443 -0.039) 0.620 94.873 ( 0.255 2.354 1.973) 3.081 94.883 ( -0.603 1.575 -1.021) 1.971 95.257 ( 0.631 -2.784 4.234) 5.107 95.277 ( -2.787 -4.469 -4.367) 6.842 96.664 ( -0.027 1.048 0.306) 1.092 96.675 ( -0.085 0.133 -1.611) 1.619 97.121 ( -2.806 -1.671 2.209) 3.943 97.159 ( -1.050 -5.388 -0.718) 5.536 ======================= Grid point 173 (99/100) ======================= q-point: (-0.29 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -7.372 20.819 16.018) 27.283 2.453 ( -5.674 -7.860 2.286) 9.960 2.487 ( 0.363 1.856 10.058) 10.234 2.700 ( 0.503 -5.863 8.184) 10.080 3.264 ( -1.836 3.632 5.382) 6.748 3.278 ( 1.291 -0.012 8.180) 8.282 3.348 ( 8.127 5.260 -4.234) 10.566 3.577 ( 4.444 -7.753 -5.432) 10.458 3.739 ( -4.985 3.445 3.375) 6.936 3.801 ( 1.728 -0.522 5.334) 5.631 3.921 ( 5.155 3.817 -0.587) 6.441 4.012 ( -1.296 -3.373 6.083) 7.076 4.170 ( 1.304 14.058 -1.895) 14.245 4.331 ( -3.350 5.491 4.180) 7.671 4.439 ( -8.011 1.601 3.354) 8.831 4.547 ( -5.903 6.172 6.182) 10.543 4.586 ( -1.099 -10.467 -4.675) 11.516 4.751 ( 0.327 -7.202 -1.550) 7.375 5.051 ( 5.242 5.423 -3.524) 8.325 5.157 ( 1.936 -4.378 0.372) 4.802 5.275 ( 1.217 6.007 3.884) 7.256 5.423 ( 1.522 -2.934 3.417) 4.754 5.606 ( -0.096 1.426 -0.846) 1.660 5.674 ( 1.111 -2.081 4.122) 4.749 5.935 ( -2.615 0.613 -6.484) 7.018 6.006 ( -0.182 -4.859 -7.780) 9.175 6.284 ( -3.802 6.207 -9.015) 11.587 6.421 ( -2.272 -5.548 -12.636) 13.986 6.611 ( 5.388 4.207 -3.106) 7.508 6.665 ( 6.230 -1.712 5.334) 8.378 6.893 ( -2.057 6.049 -3.309) 7.196 7.055 ( -1.264 -8.203 -4.618) 9.498 7.186 ( -0.865 2.878 1.666) 3.435 7.235 ( 3.841 -2.089 2.999) 5.302 7.269 ( -1.246 9.672 1.337) 9.844 7.446 ( -0.809 -4.357 1.500) 4.678 7.845 ( -4.156 -0.387 -0.598) 4.217 7.875 ( -4.621 -3.028 -1.875) 5.834 8.013 ( -1.857 1.233 2.935) 3.685 8.078 ( -0.698 -3.790 4.663) 6.049 8.611 ( -0.041 1.279 -1.733) 2.154 8.645 ( 0.905 -1.803 -3.336) 3.899 8.911 ( 1.696 3.274 -1.893) 4.144 9.023 ( 3.345 -6.873 -3.310) 8.330 10.567 ( 2.222 -0.119 -0.330) 2.250 10.570 ( 2.238 -0.345 0.226) 2.276 10.943 ( -4.034 1.735 -1.413) 4.613 10.985 ( -3.127 -2.191 -0.028) 3.818 12.856 ( 2.541 0.871 -0.463) 2.726 12.869 ( 2.755 -0.306 1.645) 3.223 13.212 ( -0.968 1.135 -0.560) 1.594 13.227 ( -0.434 -0.121 0.319) 0.552 14.440 ( -0.474 3.476 6.129) 7.062 14.501 ( 1.870 -1.442 2.177) 3.212 14.656 ( -0.822 0.632 0.219) 1.060 14.694 ( 0.833 -2.346 -4.549) 5.186 16.249 ( -2.907 1.785 0.161) 3.415 16.304 ( -1.887 -3.170 0.209) 3.695 17.411 ( -2.234 1.500 0.482) 2.734 17.434 ( -1.977 -0.663 0.110) 2.088 21.375 ( -0.501 3.159 1.239) 3.430 21.403 ( 0.297 0.710 -1.101) 1.344 21.941 ( -3.041 2.913 0.507) 4.242 21.992 ( -1.897 -1.667 -2.032) 3.241 22.811 ( -0.785 0.889 -0.191) 1.201 22.813 ( -1.042 0.840 1.053) 1.703 22.974 ( -1.960 1.091 -0.904) 2.418 23.007 ( -1.672 -1.606 -1.120) 2.575 23.643 ( 1.908 3.804 2.713) 5.046 23.704 ( 3.805 -1.776 -0.768) 4.269 24.402 ( -0.993 -1.786 -0.627) 2.138 24.406 ( -0.744 -2.078 -1.163) 2.495 28.254 ( -1.059 0.090 -0.454) 1.156 28.261 ( -1.055 -0.553 -0.500) 1.292 28.352 ( 1.035 0.391 -0.098) 1.110 28.359 ( 1.054 -0.145 -0.040) 1.064 28.542 ( -0.289 1.132 1.128) 1.624 28.575 ( -0.447 -1.227 0.517) 1.404 28.636 ( 2.240 -0.609 -0.272) 2.337 28.665 ( 2.015 -2.566 -0.735) 3.345 29.800 ( -0.799 0.627 -0.346) 1.073 29.804 ( -0.713 0.051 0.324) 0.785 29.853 ( -0.355 0.414 -0.983) 1.124 29.868 ( 0.202 -0.904 -0.757) 1.197 30.079 ( 0.244 5.289 4.421) 6.898 30.155 ( 2.215 -1.250 0.149) 2.548 30.861 ( -1.767 4.628 -5.214) 7.192 30.938 ( 0.399 -2.023 -10.945) 11.137 32.136 ( -7.914 -0.226 -2.528) 8.311 32.146 ( -8.114 -1.126 -1.951) 8.421 32.978 ( 14.052 1.117 9.221) 16.844 33.022 ( 14.835 -2.863 8.479) 17.325 48.409 ( -1.176 0.248 1.882) 2.233 48.415 ( -0.949 -0.238 2.197) 2.405 48.511 ( 0.776 1.362 -1.063) 1.894 48.543 ( 1.493 -1.544 -1.908) 2.872 72.854 ( -0.574 0.314 0.006) 0.654 72.861 ( -0.612 -0.350 -0.066) 0.708 72.894 ( 0.372 0.077 -0.048) 0.384 72.899 ( 0.294 -0.382 -0.044) 0.484 94.861 ( -0.097 2.672 -1.318) 2.980 94.885 ( -0.072 1.039 0.954) 1.412 95.218 ( -1.507 -0.107 -0.907) 1.762 95.293 ( -1.437 -6.458 6.546) 9.307 96.658 ( -0.490 0.494 0.077) 0.700 96.661 ( 0.290 0.270 -2.000) 2.039 97.060 ( -4.905 -0.843 1.787) 5.288 97.104 ( -4.242 -5.153 -0.163) 6.676 ======================= Grid point 174 (100/100) ======================= q-point: (-0.14 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -4.815 15.133 19.089) 24.831 2.337 ( -6.583 -9.833 2.058) 12.011 2.611 ( 3.137 8.502 15.318) 17.798 2.806 ( 3.980 -7.394 8.368) 11.855 3.274 ( 0.538 7.401 1.773) 7.630 3.300 ( -4.639 1.699 6.165) 7.900 3.443 ( 3.655 4.240 -5.204) 7.643 3.545 ( -1.150 -5.381 -4.357) 7.019 3.779 ( 3.861 5.993 2.609) 7.591 3.877 ( 2.302 -3.669 6.077) 7.463 4.039 ( -2.547 6.303 7.708) 10.278 4.081 ( 9.463 0.936 2.538) 9.842 4.236 ( 4.590 8.224 3.255) 9.964 4.296 ( -0.223 0.790 0.200) 0.844 4.364 ( -0.535 1.783 1.645) 2.484 4.501 ( -3.852 8.287 8.005) 12.149 4.588 ( 3.823 -13.937 -2.031) 14.594 4.744 ( -0.444 -10.779 -0.502) 10.800 5.094 ( 1.522 3.980 -1.506) 4.519 5.178 ( -0.595 0.199 2.388) 2.469 5.261 ( -3.261 2.220 -2.175) 4.505 5.466 ( -1.176 -9.744 1.949) 10.006 5.562 ( -4.573 6.300 2.835) 8.285 5.699 ( -2.586 -4.152 6.576) 8.196 5.875 ( 2.888 6.079 -8.303) 10.688 5.978 ( 3.369 -1.552 -8.932) 9.671 6.140 ( -4.140 4.966 -8.308) 10.527 6.259 ( -4.593 -3.882 -13.721) 14.981 6.648 ( 2.341 8.701 -5.710) 10.668 6.830 ( 5.904 -6.259 6.990) 11.086 6.860 ( -3.852 5.723 -1.675) 7.099 6.960 ( -1.543 -4.274 -4.733) 6.561 7.134 ( 0.299 4.191 -0.398) 4.220 7.282 ( 3.103 -5.702 -1.212) 6.603 7.386 ( 2.777 1.768 6.360) 7.162 7.457 ( -1.365 -5.368 1.476) 5.732 7.752 ( -1.273 0.033 -4.110) 4.303 7.779 ( -0.713 -2.075 -4.798) 5.276 7.987 ( -4.221 3.204 4.470) 6.932 8.069 ( -4.052 -3.425 2.268) 5.770 8.623 ( 2.237 1.574 0.263) 2.748 8.666 ( 2.732 -2.210 -0.100) 3.516 8.900 ( -0.966 3.687 -4.363) 5.793 8.999 ( -2.310 -5.265 -6.897) 8.980 10.622 ( 3.422 0.521 0.841) 3.562 10.641 ( 4.425 -1.273 2.230) 5.116 10.850 ( -4.351 2.356 -1.944) 5.316 10.910 ( -4.186 -3.259 -1.018) 5.402 12.915 ( 3.475 1.512 0.369) 3.807 12.938 ( 2.665 -0.437 1.955) 3.334 13.185 ( -1.161 1.302 -0.694) 1.878 13.212 ( -1.254 -0.947 -0.208) 1.585 14.476 ( -0.813 3.836 7.054) 8.071 14.554 ( 1.388 -2.362 3.190) 4.204 14.638 ( -0.632 0.831 -1.183) 1.578 14.685 ( 1.582 -2.632 -4.588) 5.521 16.205 ( -1.521 2.475 0.335) 2.924 16.258 ( -2.813 -2.278 0.010) 3.620 17.375 ( -1.515 1.075 0.301) 1.882 17.394 ( -2.147 -0.565 0.163) 2.226 21.377 ( -0.082 3.281 0.979) 3.425 21.402 ( 0.493 1.091 -1.210) 1.703 21.891 ( -2.323 2.905 0.619) 3.771 21.935 ( -2.402 -1.008 -1.662) 3.091 22.791 ( -1.176 1.765 0.408) 2.160 22.799 ( -0.999 1.512 0.549) 1.894 22.942 ( -0.632 -0.348 -0.986) 1.222 22.968 ( -1.221 -2.280 -1.455) 2.967 23.695 ( 1.073 4.163 3.234) 5.380 23.759 ( 2.341 -1.650 -1.151) 3.087 24.379 ( -1.236 -1.962 0.203) 2.328 24.386 ( 0.189 -2.443 -2.127) 3.245 28.236 ( -0.500 -0.013 -0.356) 0.613 28.241 ( -0.576 -0.508 -0.527) 0.932 28.368 ( 0.723 0.449 -0.027) 0.852 28.375 ( 0.589 -0.048 0.003) 0.591 28.549 ( 0.118 1.748 1.119) 2.079 28.574 ( -0.002 0.203 0.155) 0.255 28.669 ( 1.239 -1.519 0.003) 1.960 28.691 ( 1.280 -2.758 -0.985) 3.196 29.776 ( -1.251 0.644 0.110) 1.411 29.783 ( -1.222 -0.128 -0.026) 1.229 29.852 ( 0.796 0.734 -0.938) 1.432 29.870 ( 0.299 -0.849 -0.799) 1.203 30.121 ( 0.546 4.884 4.951) 6.976 30.196 ( 1.596 -1.474 0.484) 2.226 30.780 ( -2.209 4.640 -5.827) 7.770 30.855 ( -0.495 -1.882 -11.087) 11.257 32.007 ( -4.849 0.077 0.143) 4.852 32.023 ( -3.272 -1.426 -2.497) 4.356 33.268 ( 9.444 0.603 7.852) 12.297 33.324 ( 9.970 -4.633 6.322) 12.682 48.407 ( -0.530 0.446 2.146) 2.255 48.418 ( -0.271 -0.523 2.081) 2.163 48.517 ( 0.518 1.325 -0.850) 1.657 48.551 ( 0.786 -1.802 -2.060) 2.848 72.845 ( -0.283 0.195 -0.001) 0.344 72.850 ( -0.478 -0.243 -0.049) 0.538 72.899 ( 0.241 -0.002 -0.037) 0.243 72.903 ( 0.088 -0.277 -0.033) 0.292 94.871 ( 1.790 3.085 -0.600) 3.617 94.895 ( 0.269 1.502 1.090) 1.875 95.208 ( 1.051 -0.603 0.094) 1.215 95.279 ( -4.556 -6.438 5.872) 9.833 96.657 ( 0.249 0.534 0.514) 0.782 96.668 ( 1.735 -0.464 -1.657) 2.444 96.976 ( -4.489 -0.497 1.354) 4.715 97.011 ( -5.153 -3.811 0.366) 6.419 =================== 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 3/37044 10.0 32.550 18.048 39.140 0.000 3.374 0.000 3/37044 20.0 12.965 20.237 18.423 0.000 0.720 0.000 3/37044 30.0 6.720 12.845 9.794 0.000 0.588 0.000 3/37044 40.0 4.222 8.514 6.229 0.000 0.449 0.000 3/37044 50.0 3.022 6.171 4.525 0.000 0.343 0.000 3/37044 60.0 2.352 4.786 3.572 0.000 0.271 0.000 3/37044 70.0 1.933 3.895 2.972 0.000 0.222 0.000 3/37044 80.0 1.649 3.281 2.559 0.000 0.187 0.000 3/37044 90.0 1.442 2.836 2.255 0.000 0.162 0.000 3/37044 100.0 1.285 2.499 2.021 0.000 0.142 0.000 3/37044 110.0 1.161 2.235 1.834 0.000 0.127 0.000 3/37044 120.0 1.061 2.023 1.680 0.000 0.115 0.000 3/37044 130.0 0.978 1.848 1.552 0.000 0.104 0.000 3/37044 140.0 0.907 1.703 1.443 0.000 0.096 0.000 3/37044 150.0 0.848 1.579 1.349 0.000 0.088 0.000 3/37044 160.0 0.796 1.474 1.268 0.000 0.082 0.000 3/37044 170.0 0.751 1.382 1.197 0.000 0.076 0.000 3/37044 180.0 0.711 1.301 1.135 0.000 0.071 0.000 3/37044 190.0 0.677 1.230 1.079 0.000 0.067 0.000 3/37044 200.0 0.646 1.167 1.031 0.000 0.063 0.000 3/37044 210.0 0.619 1.111 0.987 0.000 0.060 0.000 3/37044 220.0 0.595 1.060 0.948 0.000 0.056 0.000 3/37044 230.0 0.573 1.015 0.913 0.000 0.054 0.000 3/37044 240.0 0.554 0.973 0.882 0.000 0.051 0.000 3/37044 250.0 0.536 0.935 0.854 0.000 0.049 0.000 3/37044 260.0 0.521 0.901 0.828 0.000 0.047 0.000 3/37044 270.0 0.507 0.869 0.805 0.000 0.045 0.000 3/37044 280.0 0.494 0.840 0.784 0.000 0.043 0.000 3/37044 290.0 0.482 0.813 0.764 0.000 0.042 0.000 3/37044 300.0 0.471 0.788 0.746 0.000 0.040 0.000 3/37044 310.0 0.461 0.765 0.730 0.000 0.039 0.000 3/37044 320.0 0.452 0.743 0.714 0.000 0.038 0.000 3/37044 330.0 0.444 0.722 0.700 0.000 0.037 0.000 3/37044 340.0 0.436 0.703 0.686 0.000 0.036 0.000 3/37044 350.0 0.428 0.685 0.674 0.000 0.035 0.000 3/37044 360.0 0.421 0.668 0.662 0.000 0.034 0.000 3/37044 370.0 0.415 0.652 0.651 0.000 0.033 0.000 3/37044 380.0 0.409 0.637 0.640 0.000 0.032 0.000 3/37044 390.0 0.403 0.623 0.630 0.000 0.032 0.000 3/37044 400.0 0.397 0.609 0.620 0.000 0.031 0.000 3/37044 410.0 0.392 0.596 0.611 0.000 0.030 0.000 3/37044 420.0 0.386 0.583 0.602 0.000 0.030 0.000 3/37044 430.0 0.381 0.572 0.593 0.000 0.029 0.000 3/37044 440.0 0.377 0.560 0.585 0.000 0.029 0.000 3/37044 450.0 0.372 0.549 0.577 0.000 0.028 0.000 3/37044 460.0 0.367 0.539 0.569 0.000 0.028 0.000 3/37044 470.0 0.363 0.529 0.562 0.000 0.027 0.000 3/37044 480.0 0.359 0.519 0.555 0.000 0.027 0.000 3/37044 490.0 0.355 0.510 0.548 0.000 0.026 0.000 3/37044 500.0 0.350 0.501 0.541 0.000 0.026 0.000 3/37044 510.0 0.346 0.493 0.534 0.000 0.025 0.000 3/37044 520.0 0.343 0.484 0.527 0.000 0.025 0.000 3/37044 530.0 0.339 0.476 0.521 0.000 0.025 0.000 3/37044 540.0 0.335 0.468 0.515 0.000 0.024 0.000 3/37044 550.0 0.331 0.461 0.509 0.000 0.024 0.000 3/37044 560.0 0.328 0.454 0.503 0.000 0.024 0.000 3/37044 570.0 0.324 0.447 0.497 0.000 0.023 0.000 3/37044 580.0 0.321 0.440 0.491 0.000 0.023 0.000 3/37044 590.0 0.318 0.433 0.486 0.000 0.023 0.000 3/37044 600.0 0.314 0.427 0.480 0.000 0.022 0.000 3/37044 610.0 0.311 0.421 0.475 0.000 0.022 0.000 3/37044 620.0 0.308 0.415 0.470 0.000 0.022 0.000 3/37044 630.0 0.305 0.409 0.464 0.000 0.021 0.000 3/37044 640.0 0.302 0.403 0.459 0.000 0.021 0.000 3/37044 650.0 0.299 0.398 0.454 0.000 0.021 0.000 3/37044 660.0 0.296 0.392 0.450 0.000 0.021 0.000 3/37044 670.0 0.293 0.387 0.445 0.000 0.020 0.000 3/37044 680.0 0.290 0.382 0.440 0.000 0.020 0.000 3/37044 690.0 0.287 0.377 0.436 0.000 0.020 0.000 3/37044 700.0 0.284 0.372 0.431 0.000 0.020 0.000 3/37044 710.0 0.281 0.368 0.427 0.000 0.019 0.000 3/37044 720.0 0.279 0.363 0.422 0.000 0.019 0.000 3/37044 730.0 0.276 0.359 0.418 0.000 0.019 0.000 3/37044 740.0 0.273 0.354 0.414 0.000 0.019 0.000 3/37044 750.0 0.271 0.350 0.410 0.000 0.018 0.000 3/37044 760.0 0.268 0.346 0.406 0.000 0.018 0.000 3/37044 770.0 0.266 0.342 0.402 0.000 0.018 0.000 3/37044 780.0 0.263 0.338 0.398 0.000 0.018 0.000 3/37044 790.0 0.261 0.334 0.394 0.000 0.018 0.000 3/37044 800.0 0.259 0.330 0.390 0.000 0.017 0.000 3/37044 810.0 0.256 0.327 0.387 0.000 0.017 0.000 3/37044 820.0 0.254 0.323 0.383 0.000 0.017 0.000 3/37044 830.0 0.252 0.319 0.379 0.000 0.017 0.000 3/37044 840.0 0.250 0.316 0.376 0.000 0.017 0.000 3/37044 850.0 0.247 0.313 0.372 0.000 0.017 0.000 3/37044 860.0 0.245 0.309 0.369 0.000 0.016 0.000 3/37044 870.0 0.243 0.306 0.366 0.000 0.016 0.000 3/37044 880.0 0.241 0.303 0.362 0.000 0.016 0.000 3/37044 890.0 0.239 0.300 0.359 0.000 0.016 0.000 3/37044 900.0 0.237 0.297 0.356 0.000 0.016 0.000 3/37044 910.0 0.235 0.294 0.353 0.000 0.016 0.000 3/37044 920.0 0.233 0.291 0.350 0.000 0.015 0.000 3/37044 930.0 0.231 0.288 0.347 0.000 0.015 0.000 3/37044 940.0 0.229 0.285 0.344 0.000 0.015 0.000 3/37044 950.0 0.227 0.282 0.341 0.000 0.015 0.000 3/37044 960.0 0.226 0.280 0.338 0.000 0.015 0.000 3/37044 970.0 0.224 0.277 0.335 0.000 0.015 0.000 3/37044 980.0 0.222 0.274 0.332 0.000 0.014 0.000 3/37044 990.0 0.220 0.272 0.329 0.000 0.014 0.000 3/37044 1000.0 0.219 0.269 0.327 0.000 0.014 0.000 3/37044 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:07:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|