----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:31:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.646397419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.665139820000000 Atomic positions (fractional): *1 Ta 0.14246750163281 0.49662422400761 0.96287157823269 180.948 2 Ta 0.14246750163281 0.00337577599239 0.96287157823269 180.948 3 Ta 0.35753249836719 0.99662422400761 0.46287157823269 180.948 4 Ta 0.35753249836719 0.50337577599239 0.46287157823269 180.948 5 Ta 0.64246750163281 0.49662422400761 0.53712842176731 180.948 6 Ta 0.64246750163281 0.00337577599239 0.53712842176731 180.948 7 Ta 0.85753249836719 0.99662422400761 0.03712842176731 180.948 8 Ta 0.85753249836719 0.50337577599239 0.03712842176731 180.948 *9 Pb 0.03822531955469 0.75000000000000 0.46191537894918 207.200 10 Pb 0.46177468044531 0.25000000000000 0.96191537894918 207.200 11 Pb 0.53822531955469 0.75000000000000 0.03808462105083 207.200 12 Pb 0.96177468044531 0.25000000000000 0.53808462105082 207.200 *13 O 0.02232533885389 0.46424224038576 0.21623089831151 15.999 14 O 0.02232533885389 0.03575775961424 0.21623089831151 15.999 *15 O 0.13050939145464 0.25000000000000 0.86291361465796 15.999 *16 O 0.14657813014005 0.75000000000000 0.03227339390344 15.999 *17 O 0.21592953075009 0.95123255104684 0.64734038436677 15.999 18 O 0.21592953075009 0.54876744895316 0.64734038436677 15.999 19 O 0.28407046924991 0.04876744895316 0.14734038436676 15.999 20 O 0.28407046924991 0.45123255104684 0.14734038436676 15.999 21 O 0.35342186985995 0.25000000000000 0.53227339390344 15.999 22 O 0.36949060854536 0.75000000000000 0.36291361465796 15.999 23 O 0.47767466114611 0.96424224038576 0.71623089831151 15.999 24 O 0.47767466114611 0.53575775961424 0.71623089831151 15.999 25 O 0.52232533885389 0.46424224038576 0.28376910168849 15.999 26 O 0.52232533885389 0.03575775961424 0.28376910168849 15.999 27 O 0.63050939145464 0.25000000000000 0.63708638534204 15.999 28 O 0.64657813014005 0.75000000000000 0.46772660609656 15.999 29 O 0.71592953075009 0.95123255104684 0.85265961563323 15.999 30 O 0.71592953075009 0.54876744895316 0.85265961563323 15.999 31 O 0.78407046924991 0.45123255104684 0.35265961563324 15.999 32 O 0.78407046924991 0.04876744895316 0.35265961563324 15.999 33 O 0.85342186985995 0.25000000000000 0.96772660609656 15.999 34 O 0.86949060854536 0.75000000000000 0.13708638534204 15.999 35 O 0.97767466114611 0.96424224038576 0.78376910168849 15.999 36 O 0.97767466114611 0.53575775961424 0.78376910168849 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.646397419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.665139820000000 Atomic positions (fractional): *1 Ta 0.14246750163281 0.49662422400761 0.96287157823269 180.948 > 1 2 Ta 0.14246750163281 0.00337577599239 0.96287157823269 180.948 > 2 3 Ta 0.35753249836719 0.99662422400761 0.46287157823269 180.948 > 3 4 Ta 0.35753249836719 0.50337577599239 0.46287157823269 180.948 > 4 5 Ta 0.64246750163281 0.49662422400761 0.53712842176731 180.948 > 5 6 Ta 0.64246750163281 0.00337577599239 0.53712842176731 180.948 > 6 7 Ta 0.85753249836719 0.99662422400761 0.03712842176731 180.948 > 7 8 Ta 0.85753249836719 0.50337577599239 0.03712842176731 180.948 > 8 *9 Pb 0.03822531955469 0.75000000000000 0.46191537894918 207.200 > 9 10 Pb 0.46177468044531 0.25000000000000 0.96191537894918 207.200 > 10 11 Pb 0.53822531955469 0.75000000000000 0.03808462105083 207.200 > 11 12 Pb 0.96177468044531 0.25000000000000 0.53808462105082 207.200 > 12 *13 O 0.02232533885389 0.46424224038576 0.21623089831151 15.999 > 13 14 O 0.02232533885389 0.03575775961424 0.21623089831151 15.999 > 14 *15 O 0.13050939145464 0.25000000000000 0.86291361465796 15.999 > 15 *16 O 0.14657813014005 0.75000000000000 0.03227339390344 15.999 > 16 *17 O 0.21592953075009 0.95123255104684 0.64734038436677 15.999 > 17 18 O 0.21592953075009 0.54876744895316 0.64734038436677 15.999 > 18 19 O 0.28407046924991 0.04876744895316 0.14734038436676 15.999 > 19 20 O 0.28407046924991 0.45123255104684 0.14734038436676 15.999 > 20 21 O 0.35342186985995 0.25000000000000 0.53227339390344 15.999 > 21 22 O 0.36949060854536 0.75000000000000 0.36291361465796 15.999 > 22 23 O 0.47767466114611 0.96424224038576 0.71623089831151 15.999 > 23 24 O 0.47767466114611 0.53575775961424 0.71623089831151 15.999 > 24 25 O 0.52232533885389 0.46424224038576 0.28376910168849 15.999 > 25 26 O 0.52232533885389 0.03575775961424 0.28376910168849 15.999 > 26 27 O 0.63050939145464 0.25000000000000 0.63708638534204 15.999 > 27 28 O 0.64657813014005 0.75000000000000 0.46772660609656 15.999 > 28 29 O 0.71592953075009 0.95123255104684 0.85265961563323 15.999 > 29 30 O 0.71592953075009 0.54876744895316 0.85265961563323 15.999 > 30 31 O 0.78407046924991 0.45123255104684 0.35265961563324 15.999 > 31 32 O 0.78407046924991 0.04876744895316 0.35265961563324 15.999 > 32 33 O 0.85342186985995 0.25000000000000 0.96772660609656 15.999 > 33 34 O 0.86949060854536 0.75000000000000 0.13708638534204 15.999 > 34 35 O 0.97767466114611 0.96424224038576 0.78376910168849 15.999 > 35 36 O 0.97767466114611 0.53575775961424 0.78376910168849 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.292794839999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.330279640000001 Atomic positions (fractional): *1 Ta 0.14246750163281 0.24831211200381 0.48143578911634 180.948 > 1 2 Ta 0.14246750163281 0.74831211200380 0.48143578911634 180.948 > 1 3 Ta 0.14246750163281 0.24831211200381 0.98143578911634 180.948 > 1 4 Ta 0.14246750163281 0.74831211200380 0.98143578911634 180.948 > 1 5 Ta 0.14246750163281 0.00168788799620 0.48143578911634 180.948 > 2 6 Ta 0.14246750163281 0.50168788799620 0.48143578911634 180.948 > 2 7 Ta 0.14246750163281 0.00168788799620 0.98143578911634 180.948 > 2 8 Ta 0.14246750163281 0.50168788799620 0.98143578911634 180.948 > 2 9 Ta 0.35753249836719 0.49831211200380 0.23143578911634 180.948 > 3 10 Ta 0.35753249836719 0.99831211200380 0.23143578911634 180.948 > 3 11 Ta 0.35753249836719 0.49831211200380 0.73143578911634 180.948 > 3 12 Ta 0.35753249836719 0.99831211200380 0.73143578911634 180.948 > 3 13 Ta 0.35753249836719 0.25168788799620 0.23143578911634 180.948 > 4 14 Ta 0.35753249836719 0.75168788799620 0.23143578911634 180.948 > 4 15 Ta 0.35753249836719 0.25168788799620 0.73143578911634 180.948 > 4 16 Ta 0.35753249836719 0.75168788799620 0.73143578911634 180.948 > 4 17 Ta 0.64246750163281 0.24831211200381 0.26856421088366 180.948 > 5 18 Ta 0.64246750163281 0.74831211200380 0.26856421088366 180.948 > 5 19 Ta 0.64246750163281 0.24831211200381 0.76856421088366 180.948 > 5 20 Ta 0.64246750163281 0.74831211200380 0.76856421088366 180.948 > 5 21 Ta 0.64246750163281 0.00168788799620 0.26856421088366 180.948 > 6 22 Ta 0.64246750163281 0.50168788799620 0.26856421088366 180.948 > 6 23 Ta 0.64246750163281 0.00168788799620 0.76856421088366 180.948 > 6 24 Ta 0.64246750163281 0.50168788799620 0.76856421088366 180.948 > 6 25 Ta 0.85753249836719 0.49831211200380 0.01856421088366 180.948 > 7 26 Ta 0.85753249836719 0.99831211200380 0.01856421088366 180.948 > 7 27 Ta 0.85753249836719 0.49831211200380 0.51856421088366 180.948 > 7 28 Ta 0.85753249836719 0.99831211200380 0.51856421088366 180.948 > 7 29 Ta 0.85753249836719 0.25168788799620 0.01856421088366 180.948 > 8 30 Ta 0.85753249836719 0.75168788799620 0.01856421088366 180.948 > 8 31 Ta 0.85753249836719 0.25168788799620 0.51856421088366 180.948 > 8 32 Ta 0.85753249836719 0.75168788799620 0.51856421088366 180.948 > 8 *33 Pb 0.03822531955469 0.37500000000000 0.23095768947459 207.200 > 9 34 Pb 0.03822531955469 0.87500000000000 0.23095768947459 207.200 > 9 35 Pb 0.03822531955469 0.37500000000000 0.73095768947459 207.200 > 9 36 Pb 0.03822531955469 0.87500000000000 0.73095768947459 207.200 > 9 37 Pb 0.46177468044531 0.12500000000000 0.48095768947459 207.200 > 10 38 Pb 0.46177468044531 0.62500000000000 0.48095768947459 207.200 > 10 39 Pb 0.46177468044531 0.12500000000000 0.98095768947459 207.200 > 10 40 Pb 0.46177468044531 0.62500000000000 0.98095768947459 207.200 > 10 41 Pb 0.53822531955469 0.37500000000000 0.01904231052541 207.200 > 11 42 Pb 0.53822531955469 0.87500000000000 0.01904231052541 207.200 > 11 43 Pb 0.53822531955469 0.37500000000000 0.51904231052541 207.200 > 11 44 Pb 0.53822531955469 0.87500000000000 0.51904231052541 207.200 > 11 45 Pb 0.96177468044531 0.12500000000000 0.26904231052541 207.200 > 12 46 Pb 0.96177468044531 0.62500000000000 0.26904231052541 207.200 > 12 47 Pb 0.96177468044531 0.12500000000000 0.76904231052541 207.200 > 12 48 Pb 0.96177468044531 0.62500000000000 0.76904231052541 207.200 > 12 *49 O 0.02232533885389 0.23212112019288 0.10811544915576 15.999 > 13 50 O 0.02232533885389 0.73212112019288 0.10811544915576 15.999 > 13 51 O 0.02232533885389 0.23212112019288 0.60811544915576 15.999 > 13 52 O 0.02232533885389 0.73212112019288 0.60811544915576 15.999 > 13 53 O 0.02232533885389 0.01787887980712 0.10811544915576 15.999 > 14 54 O 0.02232533885389 0.51787887980712 0.10811544915576 15.999 > 14 55 O 0.02232533885389 0.01787887980712 0.60811544915576 15.999 > 14 56 O 0.02232533885389 0.51787887980712 0.60811544915576 15.999 > 14 *57 O 0.13050939145464 0.12500000000000 0.43145680732898 15.999 > 15 58 O 0.13050939145464 0.62500000000000 0.43145680732898 15.999 > 15 59 O 0.13050939145464 0.12500000000000 0.93145680732898 15.999 > 15 60 O 0.13050939145464 0.62500000000000 0.93145680732898 15.999 > 15 *61 O 0.14657813014005 0.37500000000000 0.01613669695172 15.999 > 16 62 O 0.14657813014005 0.87500000000000 0.01613669695172 15.999 > 16 63 O 0.14657813014005 0.37500000000000 0.51613669695172 15.999 > 16 64 O 0.14657813014005 0.87500000000000 0.51613669695172 15.999 > 16 *65 O 0.21592953075009 0.47561627552342 0.32367019218338 15.999 > 17 66 O 0.21592953075009 0.97561627552342 0.32367019218338 15.999 > 17 67 O 0.21592953075009 0.47561627552342 0.82367019218338 15.999 > 17 68 O 0.21592953075009 0.97561627552342 0.82367019218338 15.999 > 17 69 O 0.21592953075009 0.27438372447658 0.32367019218338 15.999 > 18 70 O 0.21592953075009 0.77438372447658 0.32367019218338 15.999 > 18 71 O 0.21592953075009 0.27438372447658 0.82367019218338 15.999 > 18 72 O 0.21592953075009 0.77438372447658 0.82367019218338 15.999 > 18 73 O 0.28407046924991 0.02438372447658 0.07367019218338 15.999 > 19 74 O 0.28407046924991 0.52438372447658 0.07367019218338 15.999 > 19 75 O 0.28407046924991 0.02438372447658 0.57367019218338 15.999 > 19 76 O 0.28407046924991 0.52438372447658 0.57367019218338 15.999 > 19 77 O 0.28407046924991 0.22561627552342 0.07367019218338 15.999 > 20 78 O 0.28407046924991 0.72561627552342 0.07367019218338 15.999 > 20 79 O 0.28407046924991 0.22561627552342 0.57367019218338 15.999 > 20 80 O 0.28407046924991 0.72561627552342 0.57367019218338 15.999 > 20 81 O 0.35342186985995 0.12500000000000 0.26613669695172 15.999 > 21 82 O 0.35342186985995 0.62500000000000 0.26613669695172 15.999 > 21 83 O 0.35342186985995 0.12500000000000 0.76613669695172 15.999 > 21 84 O 0.35342186985995 0.62500000000000 0.76613669695172 15.999 > 21 85 O 0.36949060854536 0.37500000000000 0.18145680732898 15.999 > 22 86 O 0.36949060854536 0.87500000000000 0.18145680732898 15.999 > 22 87 O 0.36949060854536 0.37500000000000 0.68145680732898 15.999 > 22 88 O 0.36949060854536 0.87500000000000 0.68145680732898 15.999 > 22 89 O 0.47767466114611 0.48212112019288 0.35811544915576 15.999 > 23 90 O 0.47767466114611 0.98212112019288 0.35811544915576 15.999 > 23 91 O 0.47767466114611 0.48212112019288 0.85811544915576 15.999 > 23 92 O 0.47767466114611 0.98212112019288 0.85811544915576 15.999 > 23 93 O 0.47767466114611 0.26787887980712 0.35811544915576 15.999 > 24 94 O 0.47767466114611 0.76787887980712 0.35811544915576 15.999 > 24 95 O 0.47767466114611 0.26787887980712 0.85811544915576 15.999 > 24 96 O 0.47767466114611 0.76787887980712 0.85811544915576 15.999 > 24 97 O 0.52232533885389 0.23212112019288 0.14188455084424 15.999 > 25 98 O 0.52232533885389 0.73212112019288 0.14188455084424 15.999 > 25 99 O 0.52232533885389 0.23212112019288 0.64188455084424 15.999 > 25 100 O 0.52232533885389 0.73212112019288 0.64188455084424 15.999 > 25 101 O 0.52232533885389 0.01787887980712 0.14188455084424 15.999 > 26 102 O 0.52232533885389 0.51787887980712 0.14188455084424 15.999 > 26 103 O 0.52232533885389 0.01787887980712 0.64188455084424 15.999 > 26 104 O 0.52232533885389 0.51787887980712 0.64188455084424 15.999 > 26 105 O 0.63050939145464 0.12500000000000 0.31854319267102 15.999 > 27 106 O 0.63050939145464 0.62500000000000 0.31854319267102 15.999 > 27 107 O 0.63050939145464 0.12500000000000 0.81854319267102 15.999 > 27 108 O 0.63050939145464 0.62500000000000 0.81854319267102 15.999 > 27 109 O 0.64657813014005 0.37500000000000 0.23386330304828 15.999 > 28 110 O 0.64657813014005 0.87500000000000 0.23386330304828 15.999 > 28 111 O 0.64657813014005 0.37500000000000 0.73386330304828 15.999 > 28 112 O 0.64657813014005 0.87500000000000 0.73386330304828 15.999 > 28 113 O 0.71592953075009 0.47561627552342 0.42632980781662 15.999 > 29 114 O 0.71592953075009 0.97561627552342 0.42632980781662 15.999 > 29 115 O 0.71592953075009 0.47561627552342 0.92632980781662 15.999 > 29 116 O 0.71592953075009 0.97561627552342 0.92632980781662 15.999 > 29 117 O 0.71592953075009 0.27438372447658 0.42632980781662 15.999 > 30 118 O 0.71592953075009 0.77438372447658 0.42632980781662 15.999 > 30 119 O 0.71592953075009 0.27438372447658 0.92632980781662 15.999 > 30 120 O 0.71592953075009 0.77438372447658 0.92632980781662 15.999 > 30 121 O 0.78407046924991 0.22561627552342 0.17632980781662 15.999 > 31 122 O 0.78407046924991 0.72561627552342 0.17632980781662 15.999 > 31 123 O 0.78407046924991 0.22561627552342 0.67632980781662 15.999 > 31 124 O 0.78407046924991 0.72561627552342 0.67632980781662 15.999 > 31 125 O 0.78407046924991 0.02438372447658 0.17632980781662 15.999 > 32 126 O 0.78407046924991 0.52438372447658 0.17632980781662 15.999 > 32 127 O 0.78407046924991 0.02438372447658 0.67632980781662 15.999 > 32 128 O 0.78407046924991 0.52438372447658 0.67632980781662 15.999 > 32 129 O 0.85342186985995 0.12500000000000 0.48386330304828 15.999 > 33 130 O 0.85342186985995 0.62500000000000 0.48386330304828 15.999 > 33 131 O 0.85342186985995 0.12500000000000 0.98386330304828 15.999 > 33 132 O 0.85342186985995 0.62500000000000 0.98386330304828 15.999 > 33 133 O 0.86949060854536 0.37500000000000 0.06854319267102 15.999 > 34 134 O 0.86949060854536 0.87500000000000 0.06854319267102 15.999 > 34 135 O 0.86949060854536 0.37500000000000 0.56854319267102 15.999 > 34 136 O 0.86949060854536 0.87500000000000 0.56854319267102 15.999 > 34 137 O 0.97767466114611 0.48212112019288 0.39188455084424 15.999 > 35 138 O 0.97767466114611 0.98212112019288 0.39188455084424 15.999 > 35 139 O 0.97767466114611 0.48212112019288 0.89188455084424 15.999 > 35 140 O 0.97767466114611 0.98212112019288 0.89188455084424 15.999 > 35 141 O 0.97767466114611 0.26787887980712 0.39188455084424 15.999 > 36 142 O 0.97767466114611 0.76787887980712 0.39188455084424 15.999 > 36 143 O 0.97767466114611 0.26787887980712 0.89188455084424 15.999 > 36 144 O 0.97767466114611 0.76787887980712 0.89188455084424 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6622305 0.0000000 0.0000000 0.0000000 6.4612103 0.0000000 0.0000000 0.0000000 5.9911640 -------------------------- Born effective charges -------------------------- 1 Ta 7.4659728 0.0655910 -0.6499531 0.1166886 8.4740872 1.1325479 0.3066142 -0.1000024 6.5348946 2 Ta 7.4659728 -0.0655910 -0.6499531 -0.1166886 8.4740872 -1.1325479 0.3066142 0.1000024 6.5348946 3 Ta 7.4659728 -0.0655910 0.6499531 -0.1166886 8.4740872 1.1325479 -0.3066142 -0.1000024 6.5348946 4 Ta 7.4659728 0.0655910 0.6499531 0.1166886 8.4740872 -1.1325479 -0.3066142 0.1000024 6.5348946 5 Ta 7.4659728 0.0655910 0.6499531 0.1166886 8.4740872 -1.1325479 -0.3066142 0.1000024 6.5348946 6 Ta 7.4659728 -0.0655910 0.6499531 -0.1166886 8.4740872 1.1325479 -0.3066142 -0.1000024 6.5348946 7 Ta 7.4659728 -0.0655910 -0.6499531 -0.1166886 8.4740872 -1.1325479 0.3066142 0.1000024 6.5348946 8 Ta 7.4659728 0.0655910 -0.6499531 0.1166886 8.4740872 1.1325479 0.3066142 -0.1000024 6.5348946 9 Pb 2.7055389 0.0000000 0.3429869 0.0000000 3.7416911 0.0000000 0.3636690 0.0000000 4.6471146 10 Pb 2.7055389 0.0000000 -0.3429869 0.0000000 3.7416911 0.0000000 -0.3636690 0.0000000 4.6471146 11 Pb 2.7055389 0.0000000 -0.3429869 0.0000000 3.7416911 0.0000000 -0.3636690 0.0000000 4.6471146 12 Pb 2.7055389 0.0000000 0.3429869 0.0000000 3.7416911 0.0000000 0.3636690 0.0000000 4.6471146 13 O -3.5077379 -0.2352543 0.8309967 -0.2281492 -2.2109340 0.1772142 0.4048555 0.4249736 -3.2344479 14 O -3.5077379 0.2352543 0.8309967 0.2281492 -2.2109340 -0.1772142 0.4048555 -0.4249736 -3.2344479 15 O -1.6610934 0.0000000 -0.4848155 0.0000000 -6.2126410 0.0000000 -0.4510902 0.0000000 -1.8613604 16 O -1.3894696 0.0000000 0.3750174 0.0000000 -6.6822054 0.0000000 0.1410994 0.0000000 -1.8435158 17 O -3.7857228 -0.4252533 2.2439852 -0.4388540 -1.6865756 -0.2600350 1.8937324 -0.2660405 -3.7715658 18 O -3.7857228 0.4252533 2.2439852 0.4388540 -1.6865756 0.2600350 1.8937324 0.2660405 -3.7715658 19 O -3.7857228 -0.4252533 -2.2439852 -0.4388540 -1.6865756 0.2600350 -1.8937324 0.2660405 -3.7715658 20 O -3.7857228 0.4252533 -2.2439852 0.4388540 -1.6865756 -0.2600350 -1.8937324 -0.2660405 -3.7715658 21 O -1.3894696 0.0000000 -0.3750174 0.0000000 -6.6822054 0.0000000 -0.1410994 0.0000000 -1.8435158 22 O -1.6610934 0.0000000 0.4848155 0.0000000 -6.2126410 0.0000000 0.4510902 0.0000000 -1.8613604 23 O -3.5077379 0.2352543 -0.8309967 0.2281492 -2.2109340 0.1772142 -0.4048555 0.4249736 -3.2344479 24 O -3.5077379 -0.2352543 -0.8309967 -0.2281492 -2.2109340 -0.1772142 -0.4048555 -0.4249736 -3.2344479 25 O -3.5077379 -0.2352543 -0.8309967 -0.2281492 -2.2109340 -0.1772142 -0.4048555 -0.4249736 -3.2344479 26 O -3.5077379 0.2352543 -0.8309967 0.2281492 -2.2109340 0.1772142 -0.4048555 0.4249736 -3.2344479 27 O -1.6610934 0.0000000 0.4848155 0.0000000 -6.2126410 0.0000000 0.4510902 0.0000000 -1.8613604 28 O -1.3894696 0.0000000 -0.3750174 0.0000000 -6.6822054 0.0000000 -0.1410994 0.0000000 -1.8435158 29 O -3.7857228 -0.4252533 -2.2439852 -0.4388540 -1.6865756 0.2600350 -1.8937324 0.2660405 -3.7715658 30 O -3.7857228 0.4252533 -2.2439852 0.4388540 -1.6865756 -0.2600350 -1.8937324 -0.2660405 -3.7715658 31 O -3.7857228 0.4252533 2.2439852 0.4388540 -1.6865756 0.2600350 1.8937324 0.2660405 -3.7715658 32 O -3.7857228 -0.4252533 2.2439852 -0.4388540 -1.6865756 -0.2600350 1.8937324 -0.2660405 -3.7715658 33 O -1.3894696 0.0000000 0.3750174 0.0000000 -6.6822054 0.0000000 0.1410994 0.0000000 -1.8435158 34 O -1.6610934 0.0000000 -0.4848155 0.0000000 -6.2126410 0.0000000 -0.4510902 0.0000000 -1.8613604 35 O -3.5077379 0.2352543 0.8309967 0.2281492 -2.2109340 -0.1772142 0.4048555 -0.4249736 -3.2344479 36 O -3.5077379 -0.2352543 0.8309967 -0.2281492 -2.2109340 0.1772142 0.4048555 0.4249736 -3.2344479 ---------------------------------------------------------------------------- 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: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 173 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 11), data: (684, 23) @ (23, 11) |-- (184, 173), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.078 Solver_block: 200 / 560 - Time: 1.065 Solver_block: 300 / 560 - Time: 1.028 Solver_block: 400 / 560 - Time: 1.055 Solver_block: 500 / 560 - Time: 1.040 Solver_block: 560 / 560 - Time: 0.683 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.075 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 173 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 11), data: (684, 23) @ (23, 11) |-- (184, 173), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:32:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:32:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.646397419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.665139820000000 Atomic positions (fractional): 1 Ta 0.14246750163281 0.49662422400761 0.96287157823269 180.948 2 Ta 0.14246750163281 0.00337577599239 0.96287157823269 180.948 3 Ta 0.35753249836719 0.99662422400761 0.46287157823269 180.948 4 Ta 0.35753249836719 0.50337577599239 0.46287157823269 180.948 5 Ta 0.64246750163281 0.49662422400761 0.53712842176731 180.948 6 Ta 0.64246750163281 0.00337577599239 0.53712842176731 180.948 7 Ta 0.85753249836719 0.99662422400761 0.03712842176731 180.948 8 Ta 0.85753249836719 0.50337577599239 0.03712842176731 180.948 9 Pb 0.03822531955469 0.75000000000000 0.46191537894918 207.200 10 Pb 0.46177468044531 0.25000000000000 0.96191537894918 207.200 11 Pb 0.53822531955469 0.75000000000000 0.03808462105083 207.200 12 Pb 0.96177468044531 0.25000000000000 0.53808462105082 207.200 13 O 0.02232533885389 0.46424224038576 0.21623089831151 15.999 14 O 0.02232533885389 0.03575775961424 0.21623089831151 15.999 15 O 0.13050939145464 0.25000000000000 0.86291361465796 15.999 16 O 0.14657813014005 0.75000000000000 0.03227339390344 15.999 17 O 0.21592953075009 0.95123255104684 0.64734038436677 15.999 18 O 0.21592953075009 0.54876744895316 0.64734038436677 15.999 19 O 0.28407046924991 0.04876744895316 0.14734038436676 15.999 20 O 0.28407046924991 0.45123255104684 0.14734038436676 15.999 21 O 0.35342186985995 0.25000000000000 0.53227339390344 15.999 22 O 0.36949060854536 0.75000000000000 0.36291361465796 15.999 23 O 0.47767466114611 0.96424224038576 0.71623089831151 15.999 24 O 0.47767466114611 0.53575775961424 0.71623089831151 15.999 25 O 0.52232533885389 0.46424224038576 0.28376910168849 15.999 26 O 0.52232533885389 0.03575775961424 0.28376910168849 15.999 27 O 0.63050939145464 0.25000000000000 0.63708638534204 15.999 28 O 0.64657813014005 0.75000000000000 0.46772660609656 15.999 29 O 0.71592953075009 0.95123255104684 0.85265961563323 15.999 30 O 0.71592953075009 0.54876744895316 0.85265961563323 15.999 31 O 0.78407046924991 0.45123255104684 0.35265961563324 15.999 32 O 0.78407046924991 0.04876744895316 0.35265961563324 15.999 33 O 0.85342186985995 0.25000000000000 0.96772660609656 15.999 34 O 0.86949060854536 0.75000000000000 0.13708638534204 15.999 35 O 0.97767466114611 0.96424224038576 0.78376910168849 15.999 36 O 0.97767466114611 0.53575775961424 0.78376910168849 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.292794839999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.330279640000001 Atomic positions (fractional): 1 Ta 0.14246750163281 0.24831211200381 0.48143578911634 180.948 > 1 2 Ta 0.14246750163281 0.74831211200380 0.48143578911634 180.948 > 1 3 Ta 0.14246750163281 0.24831211200381 0.98143578911634 180.948 > 1 4 Ta 0.14246750163281 0.74831211200380 0.98143578911634 180.948 > 1 5 Ta 0.14246750163281 0.00168788799620 0.48143578911634 180.948 > 5 6 Ta 0.14246750163281 0.50168788799620 0.48143578911634 180.948 > 5 7 Ta 0.14246750163281 0.00168788799620 0.98143578911634 180.948 > 5 8 Ta 0.14246750163281 0.50168788799620 0.98143578911634 180.948 > 5 9 Ta 0.35753249836719 0.49831211200380 0.23143578911634 180.948 > 9 10 Ta 0.35753249836719 0.99831211200380 0.23143578911634 180.948 > 9 11 Ta 0.35753249836719 0.49831211200380 0.73143578911634 180.948 > 9 12 Ta 0.35753249836719 0.99831211200380 0.73143578911634 180.948 > 9 13 Ta 0.35753249836719 0.25168788799620 0.23143578911634 180.948 > 13 14 Ta 0.35753249836719 0.75168788799620 0.23143578911634 180.948 > 13 15 Ta 0.35753249836719 0.25168788799620 0.73143578911634 180.948 > 13 16 Ta 0.35753249836719 0.75168788799620 0.73143578911634 180.948 > 13 17 Ta 0.64246750163281 0.24831211200381 0.26856421088366 180.948 > 17 18 Ta 0.64246750163281 0.74831211200380 0.26856421088366 180.948 > 17 19 Ta 0.64246750163281 0.24831211200381 0.76856421088366 180.948 > 17 20 Ta 0.64246750163281 0.74831211200380 0.76856421088366 180.948 > 17 21 Ta 0.64246750163281 0.00168788799620 0.26856421088366 180.948 > 21 22 Ta 0.64246750163281 0.50168788799620 0.26856421088366 180.948 > 21 23 Ta 0.64246750163281 0.00168788799620 0.76856421088366 180.948 > 21 24 Ta 0.64246750163281 0.50168788799620 0.76856421088366 180.948 > 21 25 Ta 0.85753249836719 0.49831211200380 0.01856421088366 180.948 > 25 26 Ta 0.85753249836719 0.99831211200380 0.01856421088366 180.948 > 25 27 Ta 0.85753249836719 0.49831211200380 0.51856421088366 180.948 > 25 28 Ta 0.85753249836719 0.99831211200380 0.51856421088366 180.948 > 25 29 Ta 0.85753249836719 0.25168788799620 0.01856421088366 180.948 > 29 30 Ta 0.85753249836719 0.75168788799620 0.01856421088366 180.948 > 29 31 Ta 0.85753249836719 0.25168788799620 0.51856421088366 180.948 > 29 32 Ta 0.85753249836719 0.75168788799620 0.51856421088366 180.948 > 29 33 Pb 0.03822531955469 0.37500000000000 0.23095768947459 207.200 > 33 34 Pb 0.03822531955469 0.87500000000000 0.23095768947459 207.200 > 33 35 Pb 0.03822531955469 0.37500000000000 0.73095768947459 207.200 > 33 36 Pb 0.03822531955469 0.87500000000000 0.73095768947459 207.200 > 33 37 Pb 0.46177468044531 0.12500000000000 0.48095768947459 207.200 > 37 38 Pb 0.46177468044531 0.62500000000000 0.48095768947459 207.200 > 37 39 Pb 0.46177468044531 0.12500000000000 0.98095768947459 207.200 > 37 40 Pb 0.46177468044531 0.62500000000000 0.98095768947459 207.200 > 37 41 Pb 0.53822531955469 0.37500000000000 0.01904231052541 207.200 > 41 42 Pb 0.53822531955469 0.87500000000000 0.01904231052541 207.200 > 41 43 Pb 0.53822531955469 0.37500000000000 0.51904231052541 207.200 > 41 44 Pb 0.53822531955469 0.87500000000000 0.51904231052541 207.200 > 41 45 Pb 0.96177468044531 0.12500000000000 0.26904231052541 207.200 > 45 46 Pb 0.96177468044531 0.62500000000000 0.26904231052541 207.200 > 45 47 Pb 0.96177468044531 0.12500000000000 0.76904231052541 207.200 > 45 48 Pb 0.96177468044531 0.62500000000000 0.76904231052541 207.200 > 45 49 O 0.02232533885389 0.23212112019288 0.10811544915576 15.999 > 49 50 O 0.02232533885389 0.73212112019288 0.10811544915576 15.999 > 49 51 O 0.02232533885389 0.23212112019288 0.60811544915576 15.999 > 49 52 O 0.02232533885389 0.73212112019288 0.60811544915576 15.999 > 49 53 O 0.02232533885389 0.01787887980712 0.10811544915576 15.999 > 53 54 O 0.02232533885389 0.51787887980712 0.10811544915576 15.999 > 53 55 O 0.02232533885389 0.01787887980712 0.60811544915576 15.999 > 53 56 O 0.02232533885389 0.51787887980712 0.60811544915576 15.999 > 53 57 O 0.13050939145464 0.12500000000000 0.43145680732898 15.999 > 57 58 O 0.13050939145464 0.62500000000000 0.43145680732898 15.999 > 57 59 O 0.13050939145464 0.12500000000000 0.93145680732898 15.999 > 57 60 O 0.13050939145464 0.62500000000000 0.93145680732898 15.999 > 57 61 O 0.14657813014005 0.37500000000000 0.01613669695172 15.999 > 61 62 O 0.14657813014005 0.87500000000000 0.01613669695172 15.999 > 61 63 O 0.14657813014005 0.37500000000000 0.51613669695172 15.999 > 61 64 O 0.14657813014005 0.87500000000000 0.51613669695172 15.999 > 61 65 O 0.21592953075009 0.47561627552342 0.32367019218338 15.999 > 65 66 O 0.21592953075009 0.97561627552342 0.32367019218338 15.999 > 65 67 O 0.21592953075009 0.47561627552342 0.82367019218338 15.999 > 65 68 O 0.21592953075009 0.97561627552342 0.82367019218338 15.999 > 65 69 O 0.21592953075009 0.27438372447658 0.32367019218338 15.999 > 69 70 O 0.21592953075009 0.77438372447658 0.32367019218338 15.999 > 69 71 O 0.21592953075009 0.27438372447658 0.82367019218338 15.999 > 69 72 O 0.21592953075009 0.77438372447658 0.82367019218338 15.999 > 69 73 O 0.28407046924991 0.02438372447658 0.07367019218338 15.999 > 73 74 O 0.28407046924991 0.52438372447658 0.07367019218338 15.999 > 73 75 O 0.28407046924991 0.02438372447658 0.57367019218338 15.999 > 73 76 O 0.28407046924991 0.52438372447658 0.57367019218338 15.999 > 73 77 O 0.28407046924991 0.22561627552342 0.07367019218338 15.999 > 77 78 O 0.28407046924991 0.72561627552342 0.07367019218338 15.999 > 77 79 O 0.28407046924991 0.22561627552342 0.57367019218338 15.999 > 77 80 O 0.28407046924991 0.72561627552342 0.57367019218338 15.999 > 77 81 O 0.35342186985995 0.12500000000000 0.26613669695172 15.999 > 81 82 O 0.35342186985995 0.62500000000000 0.26613669695172 15.999 > 81 83 O 0.35342186985995 0.12500000000000 0.76613669695172 15.999 > 81 84 O 0.35342186985995 0.62500000000000 0.76613669695172 15.999 > 81 85 O 0.36949060854536 0.37500000000000 0.18145680732898 15.999 > 85 86 O 0.36949060854536 0.87500000000000 0.18145680732898 15.999 > 85 87 O 0.36949060854536 0.37500000000000 0.68145680732898 15.999 > 85 88 O 0.36949060854536 0.87500000000000 0.68145680732898 15.999 > 85 89 O 0.47767466114611 0.48212112019288 0.35811544915576 15.999 > 89 90 O 0.47767466114611 0.98212112019288 0.35811544915576 15.999 > 89 91 O 0.47767466114611 0.48212112019288 0.85811544915576 15.999 > 89 92 O 0.47767466114611 0.98212112019288 0.85811544915576 15.999 > 89 93 O 0.47767466114611 0.26787887980712 0.35811544915576 15.999 > 93 94 O 0.47767466114611 0.76787887980712 0.35811544915576 15.999 > 93 95 O 0.47767466114611 0.26787887980712 0.85811544915576 15.999 > 93 96 O 0.47767466114611 0.76787887980712 0.85811544915576 15.999 > 93 97 O 0.52232533885389 0.23212112019288 0.14188455084424 15.999 > 97 98 O 0.52232533885389 0.73212112019288 0.14188455084424 15.999 > 97 99 O 0.52232533885389 0.23212112019288 0.64188455084424 15.999 > 97 100 O 0.52232533885389 0.73212112019288 0.64188455084424 15.999 > 97 101 O 0.52232533885389 0.01787887980712 0.14188455084424 15.999 > 101 102 O 0.52232533885389 0.51787887980712 0.14188455084424 15.999 > 101 103 O 0.52232533885389 0.01787887980712 0.64188455084424 15.999 > 101 104 O 0.52232533885389 0.51787887980712 0.64188455084424 15.999 > 101 105 O 0.63050939145464 0.12500000000000 0.31854319267102 15.999 > 105 106 O 0.63050939145464 0.62500000000000 0.31854319267102 15.999 > 105 107 O 0.63050939145464 0.12500000000000 0.81854319267102 15.999 > 105 108 O 0.63050939145464 0.62500000000000 0.81854319267102 15.999 > 105 109 O 0.64657813014005 0.37500000000000 0.23386330304828 15.999 > 109 110 O 0.64657813014005 0.87500000000000 0.23386330304828 15.999 > 109 111 O 0.64657813014005 0.37500000000000 0.73386330304828 15.999 > 109 112 O 0.64657813014005 0.87500000000000 0.73386330304828 15.999 > 109 113 O 0.71592953075009 0.47561627552342 0.42632980781662 15.999 > 113 114 O 0.71592953075009 0.97561627552342 0.42632980781662 15.999 > 113 115 O 0.71592953075009 0.47561627552342 0.92632980781662 15.999 > 113 116 O 0.71592953075009 0.97561627552342 0.92632980781662 15.999 > 113 117 O 0.71592953075009 0.27438372447658 0.42632980781662 15.999 > 117 118 O 0.71592953075009 0.77438372447658 0.42632980781662 15.999 > 117 119 O 0.71592953075009 0.27438372447658 0.92632980781662 15.999 > 117 120 O 0.71592953075009 0.77438372447658 0.92632980781662 15.999 > 117 121 O 0.78407046924991 0.22561627552342 0.17632980781662 15.999 > 121 122 O 0.78407046924991 0.72561627552342 0.17632980781662 15.999 > 121 123 O 0.78407046924991 0.22561627552342 0.67632980781662 15.999 > 121 124 O 0.78407046924991 0.72561627552342 0.67632980781662 15.999 > 121 125 O 0.78407046924991 0.02438372447658 0.17632980781662 15.999 > 125 126 O 0.78407046924991 0.52438372447658 0.17632980781662 15.999 > 125 127 O 0.78407046924991 0.02438372447658 0.67632980781662 15.999 > 125 128 O 0.78407046924991 0.52438372447658 0.67632980781662 15.999 > 125 129 O 0.85342186985995 0.12500000000000 0.48386330304828 15.999 > 129 130 O 0.85342186985995 0.62500000000000 0.48386330304828 15.999 > 129 131 O 0.85342186985995 0.12500000000000 0.98386330304828 15.999 > 129 132 O 0.85342186985995 0.62500000000000 0.98386330304828 15.999 > 129 133 O 0.86949060854536 0.37500000000000 0.06854319267102 15.999 > 133 134 O 0.86949060854536 0.87500000000000 0.06854319267102 15.999 > 133 135 O 0.86949060854536 0.37500000000000 0.56854319267102 15.999 > 133 136 O 0.86949060854536 0.87500000000000 0.56854319267102 15.999 > 133 137 O 0.97767466114611 0.48212112019288 0.39188455084424 15.999 > 137 138 O 0.97767466114611 0.98212112019288 0.39188455084424 15.999 > 137 139 O 0.97767466114611 0.48212112019288 0.89188455084424 15.999 > 137 140 O 0.97767466114611 0.98212112019288 0.89188455084424 15.999 > 137 141 O 0.97767466114611 0.26787887980712 0.39188455084424 15.999 > 141 142 O 0.97767466114611 0.76787887980712 0.39188455084424 15.999 > 141 143 O 0.97767466114611 0.26787887980712 0.89188455084424 15.999 > 141 144 O 0.97767466114611 0.76787887980712 0.89188455084424 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6622305 0.0000000 0.0000000 0.0000000 6.4612103 0.0000000 0.0000000 0.0000000 5.9911640 -------------------------- Born effective charges -------------------------- 1 Ta 7.4659728 0.0655910 -0.6499531 0.1166886 8.4740872 1.1325479 0.3066142 -0.1000024 6.5348946 2 Ta 7.4659728 -0.0655910 -0.6499531 -0.1166886 8.4740872 -1.1325479 0.3066142 0.1000024 6.5348946 3 Ta 7.4659728 -0.0655910 0.6499531 -0.1166886 8.4740872 1.1325479 -0.3066142 -0.1000024 6.5348946 4 Ta 7.4659728 0.0655910 0.6499531 0.1166886 8.4740872 -1.1325479 -0.3066142 0.1000024 6.5348946 5 Ta 7.4659728 0.0655910 0.6499531 0.1166886 8.4740872 -1.1325479 -0.3066142 0.1000024 6.5348946 6 Ta 7.4659728 -0.0655910 0.6499531 -0.1166886 8.4740872 1.1325479 -0.3066142 -0.1000024 6.5348946 7 Ta 7.4659728 -0.0655910 -0.6499531 -0.1166886 8.4740872 -1.1325479 0.3066142 0.1000024 6.5348946 8 Ta 7.4659728 0.0655910 -0.6499531 0.1166886 8.4740872 1.1325479 0.3066142 -0.1000024 6.5348946 9 Pb 2.7055389 0.0000000 0.3429869 0.0000000 3.7416911 0.0000000 0.3636690 0.0000000 4.6471146 10 Pb 2.7055389 0.0000000 -0.3429869 0.0000000 3.7416911 0.0000000 -0.3636690 0.0000000 4.6471146 11 Pb 2.7055389 0.0000000 -0.3429869 0.0000000 3.7416911 0.0000000 -0.3636690 0.0000000 4.6471146 12 Pb 2.7055389 0.0000000 0.3429869 0.0000000 3.7416911 0.0000000 0.3636690 0.0000000 4.6471146 13 O -3.5077379 -0.2352543 0.8309967 -0.2281492 -2.2109340 0.1772142 0.4048555 0.4249736 -3.2344479 14 O -3.5077379 0.2352543 0.8309967 0.2281492 -2.2109340 -0.1772142 0.4048555 -0.4249736 -3.2344479 15 O -1.6610934 0.0000000 -0.4848155 0.0000000 -6.2126410 0.0000000 -0.4510902 0.0000000 -1.8613604 16 O -1.3894696 0.0000000 0.3750174 0.0000000 -6.6822054 0.0000000 0.1410994 0.0000000 -1.8435158 17 O -3.7857228 -0.4252533 2.2439852 -0.4388540 -1.6865756 -0.2600350 1.8937324 -0.2660405 -3.7715658 18 O -3.7857228 0.4252533 2.2439852 0.4388540 -1.6865756 0.2600350 1.8937324 0.2660405 -3.7715658 19 O -3.7857228 -0.4252533 -2.2439852 -0.4388540 -1.6865756 0.2600350 -1.8937324 0.2660405 -3.7715658 20 O -3.7857228 0.4252533 -2.2439852 0.4388540 -1.6865756 -0.2600350 -1.8937324 -0.2660405 -3.7715658 21 O -1.3894696 0.0000000 -0.3750174 0.0000000 -6.6822054 0.0000000 -0.1410994 0.0000000 -1.8435158 22 O -1.6610934 0.0000000 0.4848155 0.0000000 -6.2126410 0.0000000 0.4510902 0.0000000 -1.8613604 23 O -3.5077379 0.2352543 -0.8309967 0.2281492 -2.2109340 0.1772142 -0.4048555 0.4249736 -3.2344479 24 O -3.5077379 -0.2352543 -0.8309967 -0.2281492 -2.2109340 -0.1772142 -0.4048555 -0.4249736 -3.2344479 25 O -3.5077379 -0.2352543 -0.8309967 -0.2281492 -2.2109340 -0.1772142 -0.4048555 -0.4249736 -3.2344479 26 O -3.5077379 0.2352543 -0.8309967 0.2281492 -2.2109340 0.1772142 -0.4048555 0.4249736 -3.2344479 27 O -1.6610934 0.0000000 0.4848155 0.0000000 -6.2126410 0.0000000 0.4510902 0.0000000 -1.8613604 28 O -1.3894696 0.0000000 -0.3750174 0.0000000 -6.6822054 0.0000000 -0.1410994 0.0000000 -1.8435158 29 O -3.7857228 -0.4252533 -2.2439852 -0.4388540 -1.6865756 0.2600350 -1.8937324 0.2660405 -3.7715658 30 O -3.7857228 0.4252533 -2.2439852 0.4388540 -1.6865756 -0.2600350 -1.8937324 -0.2660405 -3.7715658 31 O -3.7857228 0.4252533 2.2439852 0.4388540 -1.6865756 0.2600350 1.8937324 0.2660405 -3.7715658 32 O -3.7857228 -0.4252533 2.2439852 -0.4388540 -1.6865756 -0.2600350 1.8937324 -0.2660405 -3.7715658 33 O -1.3894696 0.0000000 0.3750174 0.0000000 -6.6822054 0.0000000 0.1410994 0.0000000 -1.8435158 34 O -1.6610934 0.0000000 -0.4848155 0.0000000 -6.2126410 0.0000000 -0.4510902 0.0000000 -1.8613604 35 O -3.5077379 0.2352543 0.8309967 0.2281492 -2.2109340 -0.1772142 0.4048555 -0.4249736 -3.2344479 36 O -3.5077379 -0.2352543 0.8309967 -0.2281492 -2.2109340 0.1772142 0.4048555 0.4249736 -3.2344479 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yxy) -0.00000003 (yxy) -0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (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 2026-01-09 02:32:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:32:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.646397419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.665139820000000 Atomic positions (fractional): 1 Ta 0.14246750163281 0.49662422400761 0.96287157823269 180.948 2 Ta 0.14246750163281 0.00337577599239 0.96287157823269 180.948 3 Ta 0.35753249836719 0.99662422400761 0.46287157823269 180.948 4 Ta 0.35753249836719 0.50337577599239 0.46287157823269 180.948 5 Ta 0.64246750163281 0.49662422400761 0.53712842176731 180.948 6 Ta 0.64246750163281 0.00337577599239 0.53712842176731 180.948 7 Ta 0.85753249836719 0.99662422400761 0.03712842176731 180.948 8 Ta 0.85753249836719 0.50337577599239 0.03712842176731 180.948 9 Pb 0.03822531955469 0.75000000000000 0.46191537894918 207.200 10 Pb 0.46177468044531 0.25000000000000 0.96191537894918 207.200 11 Pb 0.53822531955469 0.75000000000000 0.03808462105083 207.200 12 Pb 0.96177468044531 0.25000000000000 0.53808462105082 207.200 13 O 0.02232533885389 0.46424224038576 0.21623089831151 15.999 14 O 0.02232533885389 0.03575775961424 0.21623089831151 15.999 15 O 0.13050939145464 0.25000000000000 0.86291361465796 15.999 16 O 0.14657813014005 0.75000000000000 0.03227339390344 15.999 17 O 0.21592953075009 0.95123255104684 0.64734038436677 15.999 18 O 0.21592953075009 0.54876744895316 0.64734038436677 15.999 19 O 0.28407046924991 0.04876744895316 0.14734038436676 15.999 20 O 0.28407046924991 0.45123255104684 0.14734038436676 15.999 21 O 0.35342186985995 0.25000000000000 0.53227339390344 15.999 22 O 0.36949060854536 0.75000000000000 0.36291361465796 15.999 23 O 0.47767466114611 0.96424224038576 0.71623089831151 15.999 24 O 0.47767466114611 0.53575775961424 0.71623089831151 15.999 25 O 0.52232533885389 0.46424224038576 0.28376910168849 15.999 26 O 0.52232533885389 0.03575775961424 0.28376910168849 15.999 27 O 0.63050939145464 0.25000000000000 0.63708638534204 15.999 28 O 0.64657813014005 0.75000000000000 0.46772660609656 15.999 29 O 0.71592953075009 0.95123255104684 0.85265961563323 15.999 30 O 0.71592953075009 0.54876744895316 0.85265961563323 15.999 31 O 0.78407046924991 0.45123255104684 0.35265961563324 15.999 32 O 0.78407046924991 0.04876744895316 0.35265961563324 15.999 33 O 0.85342186985995 0.25000000000000 0.96772660609656 15.999 34 O 0.86949060854536 0.75000000000000 0.13708638534204 15.999 35 O 0.97767466114611 0.96424224038576 0.78376910168849 15.999 36 O 0.97767466114611 0.53575775961424 0.78376910168849 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.071785480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.292794839999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.330279640000001 Atomic positions (fractional): 1 Ta 0.14246750163281 0.24831211200381 0.48143578911634 180.948 > 1 2 Ta 0.14246750163281 0.74831211200380 0.48143578911634 180.948 > 1 3 Ta 0.14246750163281 0.24831211200381 0.98143578911634 180.948 > 1 4 Ta 0.14246750163281 0.74831211200380 0.98143578911634 180.948 > 1 5 Ta 0.14246750163281 0.00168788799620 0.48143578911634 180.948 > 5 6 Ta 0.14246750163281 0.50168788799620 0.48143578911634 180.948 > 5 7 Ta 0.14246750163281 0.00168788799620 0.98143578911634 180.948 > 5 8 Ta 0.14246750163281 0.50168788799620 0.98143578911634 180.948 > 5 9 Ta 0.35753249836719 0.49831211200380 0.23143578911634 180.948 > 9 10 Ta 0.35753249836719 0.99831211200380 0.23143578911634 180.948 > 9 11 Ta 0.35753249836719 0.49831211200380 0.73143578911634 180.948 > 9 12 Ta 0.35753249836719 0.99831211200380 0.73143578911634 180.948 > 9 13 Ta 0.35753249836719 0.25168788799620 0.23143578911634 180.948 > 13 14 Ta 0.35753249836719 0.75168788799620 0.23143578911634 180.948 > 13 15 Ta 0.35753249836719 0.25168788799620 0.73143578911634 180.948 > 13 16 Ta 0.35753249836719 0.75168788799620 0.73143578911634 180.948 > 13 17 Ta 0.64246750163281 0.24831211200381 0.26856421088366 180.948 > 17 18 Ta 0.64246750163281 0.74831211200380 0.26856421088366 180.948 > 17 19 Ta 0.64246750163281 0.24831211200381 0.76856421088366 180.948 > 17 20 Ta 0.64246750163281 0.74831211200380 0.76856421088366 180.948 > 17 21 Ta 0.64246750163281 0.00168788799620 0.26856421088366 180.948 > 21 22 Ta 0.64246750163281 0.50168788799620 0.26856421088366 180.948 > 21 23 Ta 0.64246750163281 0.00168788799620 0.76856421088366 180.948 > 21 24 Ta 0.64246750163281 0.50168788799620 0.76856421088366 180.948 > 21 25 Ta 0.85753249836719 0.49831211200380 0.01856421088366 180.948 > 25 26 Ta 0.85753249836719 0.99831211200380 0.01856421088366 180.948 > 25 27 Ta 0.85753249836719 0.49831211200380 0.51856421088366 180.948 > 25 28 Ta 0.85753249836719 0.99831211200380 0.51856421088366 180.948 > 25 29 Ta 0.85753249836719 0.25168788799620 0.01856421088366 180.948 > 29 30 Ta 0.85753249836719 0.75168788799620 0.01856421088366 180.948 > 29 31 Ta 0.85753249836719 0.25168788799620 0.51856421088366 180.948 > 29 32 Ta 0.85753249836719 0.75168788799620 0.51856421088366 180.948 > 29 33 Pb 0.03822531955469 0.37500000000000 0.23095768947459 207.200 > 33 34 Pb 0.03822531955469 0.87500000000000 0.23095768947459 207.200 > 33 35 Pb 0.03822531955469 0.37500000000000 0.73095768947459 207.200 > 33 36 Pb 0.03822531955469 0.87500000000000 0.73095768947459 207.200 > 33 37 Pb 0.46177468044531 0.12500000000000 0.48095768947459 207.200 > 37 38 Pb 0.46177468044531 0.62500000000000 0.48095768947459 207.200 > 37 39 Pb 0.46177468044531 0.12500000000000 0.98095768947459 207.200 > 37 40 Pb 0.46177468044531 0.62500000000000 0.98095768947459 207.200 > 37 41 Pb 0.53822531955469 0.37500000000000 0.01904231052541 207.200 > 41 42 Pb 0.53822531955469 0.87500000000000 0.01904231052541 207.200 > 41 43 Pb 0.53822531955469 0.37500000000000 0.51904231052541 207.200 > 41 44 Pb 0.53822531955469 0.87500000000000 0.51904231052541 207.200 > 41 45 Pb 0.96177468044531 0.12500000000000 0.26904231052541 207.200 > 45 46 Pb 0.96177468044531 0.62500000000000 0.26904231052541 207.200 > 45 47 Pb 0.96177468044531 0.12500000000000 0.76904231052541 207.200 > 45 48 Pb 0.96177468044531 0.62500000000000 0.76904231052541 207.200 > 45 49 O 0.02232533885389 0.23212112019288 0.10811544915576 15.999 > 49 50 O 0.02232533885389 0.73212112019288 0.10811544915576 15.999 > 49 51 O 0.02232533885389 0.23212112019288 0.60811544915576 15.999 > 49 52 O 0.02232533885389 0.73212112019288 0.60811544915576 15.999 > 49 53 O 0.02232533885389 0.01787887980712 0.10811544915576 15.999 > 53 54 O 0.02232533885389 0.51787887980712 0.10811544915576 15.999 > 53 55 O 0.02232533885389 0.01787887980712 0.60811544915576 15.999 > 53 56 O 0.02232533885389 0.51787887980712 0.60811544915576 15.999 > 53 57 O 0.13050939145464 0.12500000000000 0.43145680732898 15.999 > 57 58 O 0.13050939145464 0.62500000000000 0.43145680732898 15.999 > 57 59 O 0.13050939145464 0.12500000000000 0.93145680732898 15.999 > 57 60 O 0.13050939145464 0.62500000000000 0.93145680732898 15.999 > 57 61 O 0.14657813014005 0.37500000000000 0.01613669695172 15.999 > 61 62 O 0.14657813014005 0.87500000000000 0.01613669695172 15.999 > 61 63 O 0.14657813014005 0.37500000000000 0.51613669695172 15.999 > 61 64 O 0.14657813014005 0.87500000000000 0.51613669695172 15.999 > 61 65 O 0.21592953075009 0.47561627552342 0.32367019218338 15.999 > 65 66 O 0.21592953075009 0.97561627552342 0.32367019218338 15.999 > 65 67 O 0.21592953075009 0.47561627552342 0.82367019218338 15.999 > 65 68 O 0.21592953075009 0.97561627552342 0.82367019218338 15.999 > 65 69 O 0.21592953075009 0.27438372447658 0.32367019218338 15.999 > 69 70 O 0.21592953075009 0.77438372447658 0.32367019218338 15.999 > 69 71 O 0.21592953075009 0.27438372447658 0.82367019218338 15.999 > 69 72 O 0.21592953075009 0.77438372447658 0.82367019218338 15.999 > 69 73 O 0.28407046924991 0.02438372447658 0.07367019218338 15.999 > 73 74 O 0.28407046924991 0.52438372447658 0.07367019218338 15.999 > 73 75 O 0.28407046924991 0.02438372447658 0.57367019218338 15.999 > 73 76 O 0.28407046924991 0.52438372447658 0.57367019218338 15.999 > 73 77 O 0.28407046924991 0.22561627552342 0.07367019218338 15.999 > 77 78 O 0.28407046924991 0.72561627552342 0.07367019218338 15.999 > 77 79 O 0.28407046924991 0.22561627552342 0.57367019218338 15.999 > 77 80 O 0.28407046924991 0.72561627552342 0.57367019218338 15.999 > 77 81 O 0.35342186985995 0.12500000000000 0.26613669695172 15.999 > 81 82 O 0.35342186985995 0.62500000000000 0.26613669695172 15.999 > 81 83 O 0.35342186985995 0.12500000000000 0.76613669695172 15.999 > 81 84 O 0.35342186985995 0.62500000000000 0.76613669695172 15.999 > 81 85 O 0.36949060854536 0.37500000000000 0.18145680732898 15.999 > 85 86 O 0.36949060854536 0.87500000000000 0.18145680732898 15.999 > 85 87 O 0.36949060854536 0.37500000000000 0.68145680732898 15.999 > 85 88 O 0.36949060854536 0.87500000000000 0.68145680732898 15.999 > 85 89 O 0.47767466114611 0.48212112019288 0.35811544915576 15.999 > 89 90 O 0.47767466114611 0.98212112019288 0.35811544915576 15.999 > 89 91 O 0.47767466114611 0.48212112019288 0.85811544915576 15.999 > 89 92 O 0.47767466114611 0.98212112019288 0.85811544915576 15.999 > 89 93 O 0.47767466114611 0.26787887980712 0.35811544915576 15.999 > 93 94 O 0.47767466114611 0.76787887980712 0.35811544915576 15.999 > 93 95 O 0.47767466114611 0.26787887980712 0.85811544915576 15.999 > 93 96 O 0.47767466114611 0.76787887980712 0.85811544915576 15.999 > 93 97 O 0.52232533885389 0.23212112019288 0.14188455084424 15.999 > 97 98 O 0.52232533885389 0.73212112019288 0.14188455084424 15.999 > 97 99 O 0.52232533885389 0.23212112019288 0.64188455084424 15.999 > 97 100 O 0.52232533885389 0.73212112019288 0.64188455084424 15.999 > 97 101 O 0.52232533885389 0.01787887980712 0.14188455084424 15.999 > 101 102 O 0.52232533885389 0.51787887980712 0.14188455084424 15.999 > 101 103 O 0.52232533885389 0.01787887980712 0.64188455084424 15.999 > 101 104 O 0.52232533885389 0.51787887980712 0.64188455084424 15.999 > 101 105 O 0.63050939145464 0.12500000000000 0.31854319267102 15.999 > 105 106 O 0.63050939145464 0.62500000000000 0.31854319267102 15.999 > 105 107 O 0.63050939145464 0.12500000000000 0.81854319267102 15.999 > 105 108 O 0.63050939145464 0.62500000000000 0.81854319267102 15.999 > 105 109 O 0.64657813014005 0.37500000000000 0.23386330304828 15.999 > 109 110 O 0.64657813014005 0.87500000000000 0.23386330304828 15.999 > 109 111 O 0.64657813014005 0.37500000000000 0.73386330304828 15.999 > 109 112 O 0.64657813014005 0.87500000000000 0.73386330304828 15.999 > 109 113 O 0.71592953075009 0.47561627552342 0.42632980781662 15.999 > 113 114 O 0.71592953075009 0.97561627552342 0.42632980781662 15.999 > 113 115 O 0.71592953075009 0.47561627552342 0.92632980781662 15.999 > 113 116 O 0.71592953075009 0.97561627552342 0.92632980781662 15.999 > 113 117 O 0.71592953075009 0.27438372447658 0.42632980781662 15.999 > 117 118 O 0.71592953075009 0.77438372447658 0.42632980781662 15.999 > 117 119 O 0.71592953075009 0.27438372447658 0.92632980781662 15.999 > 117 120 O 0.71592953075009 0.77438372447658 0.92632980781662 15.999 > 117 121 O 0.78407046924991 0.22561627552342 0.17632980781662 15.999 > 121 122 O 0.78407046924991 0.72561627552342 0.17632980781662 15.999 > 121 123 O 0.78407046924991 0.22561627552342 0.67632980781662 15.999 > 121 124 O 0.78407046924991 0.72561627552342 0.67632980781662 15.999 > 121 125 O 0.78407046924991 0.02438372447658 0.17632980781662 15.999 > 125 126 O 0.78407046924991 0.52438372447658 0.17632980781662 15.999 > 125 127 O 0.78407046924991 0.02438372447658 0.67632980781662 15.999 > 125 128 O 0.78407046924991 0.52438372447658 0.67632980781662 15.999 > 125 129 O 0.85342186985995 0.12500000000000 0.48386330304828 15.999 > 129 130 O 0.85342186985995 0.62500000000000 0.48386330304828 15.999 > 129 131 O 0.85342186985995 0.12500000000000 0.98386330304828 15.999 > 129 132 O 0.85342186985995 0.62500000000000 0.98386330304828 15.999 > 129 133 O 0.86949060854536 0.37500000000000 0.06854319267102 15.999 > 133 134 O 0.86949060854536 0.87500000000000 0.06854319267102 15.999 > 133 135 O 0.86949060854536 0.37500000000000 0.56854319267102 15.999 > 133 136 O 0.86949060854536 0.87500000000000 0.56854319267102 15.999 > 133 137 O 0.97767466114611 0.48212112019288 0.39188455084424 15.999 > 137 138 O 0.97767466114611 0.98212112019288 0.39188455084424 15.999 > 137 139 O 0.97767466114611 0.48212112019288 0.89188455084424 15.999 > 137 140 O 0.97767466114611 0.98212112019288 0.89188455084424 15.999 > 137 141 O 0.97767466114611 0.26787887980712 0.39188455084424 15.999 > 141 142 O 0.97767466114611 0.76787887980712 0.39188455084424 15.999 > 141 143 O 0.97767466114611 0.26787887980712 0.89188455084424 15.999 > 141 144 O 0.97767466114611 0.76787887980712 0.89188455084424 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6622305 0.0000000 0.0000000 0.0000000 6.4612103 0.0000000 0.0000000 0.0000000 5.9911640 -------------------------- Born effective charges -------------------------- 1 Ta 7.4659728 0.0655910 -0.6499531 0.1166886 8.4740872 1.1325479 0.3066142 -0.1000024 6.5348946 2 Ta 7.4659728 -0.0655910 -0.6499531 -0.1166886 8.4740872 -1.1325479 0.3066142 0.1000024 6.5348946 3 Ta 7.4659728 -0.0655910 0.6499531 -0.1166886 8.4740872 1.1325479 -0.3066142 -0.1000024 6.5348946 4 Ta 7.4659728 0.0655910 0.6499531 0.1166886 8.4740872 -1.1325479 -0.3066142 0.1000024 6.5348946 5 Ta 7.4659728 0.0655910 0.6499531 0.1166886 8.4740872 -1.1325479 -0.3066142 0.1000024 6.5348946 6 Ta 7.4659728 -0.0655910 0.6499531 -0.1166886 8.4740872 1.1325479 -0.3066142 -0.1000024 6.5348946 7 Ta 7.4659728 -0.0655910 -0.6499531 -0.1166886 8.4740872 -1.1325479 0.3066142 0.1000024 6.5348946 8 Ta 7.4659728 0.0655910 -0.6499531 0.1166886 8.4740872 1.1325479 0.3066142 -0.1000024 6.5348946 9 Pb 2.7055389 0.0000000 0.3429869 0.0000000 3.7416911 0.0000000 0.3636690 0.0000000 4.6471146 10 Pb 2.7055389 0.0000000 -0.3429869 0.0000000 3.7416911 0.0000000 -0.3636690 0.0000000 4.6471146 11 Pb 2.7055389 0.0000000 -0.3429869 0.0000000 3.7416911 0.0000000 -0.3636690 0.0000000 4.6471146 12 Pb 2.7055389 0.0000000 0.3429869 0.0000000 3.7416911 0.0000000 0.3636690 0.0000000 4.6471146 13 O -3.5077379 -0.2352543 0.8309967 -0.2281492 -2.2109340 0.1772142 0.4048555 0.4249736 -3.2344479 14 O -3.5077379 0.2352543 0.8309967 0.2281492 -2.2109340 -0.1772142 0.4048555 -0.4249736 -3.2344479 15 O -1.6610934 0.0000000 -0.4848155 0.0000000 -6.2126410 0.0000000 -0.4510902 0.0000000 -1.8613604 16 O -1.3894696 0.0000000 0.3750174 0.0000000 -6.6822054 0.0000000 0.1410994 0.0000000 -1.8435158 17 O -3.7857228 -0.4252533 2.2439852 -0.4388540 -1.6865756 -0.2600350 1.8937324 -0.2660405 -3.7715658 18 O -3.7857228 0.4252533 2.2439852 0.4388540 -1.6865756 0.2600350 1.8937324 0.2660405 -3.7715658 19 O -3.7857228 -0.4252533 -2.2439852 -0.4388540 -1.6865756 0.2600350 -1.8937324 0.2660405 -3.7715658 20 O -3.7857228 0.4252533 -2.2439852 0.4388540 -1.6865756 -0.2600350 -1.8937324 -0.2660405 -3.7715658 21 O -1.3894696 0.0000000 -0.3750174 0.0000000 -6.6822054 0.0000000 -0.1410994 0.0000000 -1.8435158 22 O -1.6610934 0.0000000 0.4848155 0.0000000 -6.2126410 0.0000000 0.4510902 0.0000000 -1.8613604 23 O -3.5077379 0.2352543 -0.8309967 0.2281492 -2.2109340 0.1772142 -0.4048555 0.4249736 -3.2344479 24 O -3.5077379 -0.2352543 -0.8309967 -0.2281492 -2.2109340 -0.1772142 -0.4048555 -0.4249736 -3.2344479 25 O -3.5077379 -0.2352543 -0.8309967 -0.2281492 -2.2109340 -0.1772142 -0.4048555 -0.4249736 -3.2344479 26 O -3.5077379 0.2352543 -0.8309967 0.2281492 -2.2109340 0.1772142 -0.4048555 0.4249736 -3.2344479 27 O -1.6610934 0.0000000 0.4848155 0.0000000 -6.2126410 0.0000000 0.4510902 0.0000000 -1.8613604 28 O -1.3894696 0.0000000 -0.3750174 0.0000000 -6.6822054 0.0000000 -0.1410994 0.0000000 -1.8435158 29 O -3.7857228 -0.4252533 -2.2439852 -0.4388540 -1.6865756 0.2600350 -1.8937324 0.2660405 -3.7715658 30 O -3.7857228 0.4252533 -2.2439852 0.4388540 -1.6865756 -0.2600350 -1.8937324 -0.2660405 -3.7715658 31 O -3.7857228 0.4252533 2.2439852 0.4388540 -1.6865756 0.2600350 1.8937324 0.2660405 -3.7715658 32 O -3.7857228 -0.4252533 2.2439852 -0.4388540 -1.6865756 -0.2600350 1.8937324 -0.2660405 -3.7715658 33 O -1.3894696 0.0000000 0.3750174 0.0000000 -6.6822054 0.0000000 0.1410994 0.0000000 -1.8435158 34 O -1.6610934 0.0000000 -0.4848155 0.0000000 -6.2126410 0.0000000 -0.4510902 0.0000000 -1.8613604 35 O -3.5077379 0.2352543 0.8309967 0.2281492 -2.2109340 -0.1772142 0.4048555 -0.4249736 -3.2344479 36 O -3.5077379 -0.2352543 0.8309967 -0.2281492 -2.2109340 0.1772142 0.4048555 0.4249736 -3.2344479 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yxy) -0.00000003 (yxy) -0.00000003 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 289, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.129 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 11.406 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.770 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 12.410 ( 0.000 0.000 0.000) 0.000 12.430 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 13.350 ( 0.000 0.000 0.000) 0.000 13.579 ( 0.000 0.000 0.000) 0.000 13.762 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 14.671 ( 0.000 0.000 0.000) 0.000 15.188 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.225 ( 0.000 0.000 0.000) 0.000 17.103 ( 0.000 0.000 0.000) 0.000 17.123 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 18.805 ( 0.000 0.000 0.000) 0.000 18.839 ( 0.000 0.000 0.000) 0.000 19.005 ( 0.000 0.000 0.000) 0.000 19.045 ( 0.000 0.000 0.000) 0.000 19.204 ( 0.000 0.000 0.000) 0.000 19.263 ( 0.000 0.000 0.000) 0.000 19.708 ( 0.000 0.000 0.000) 0.000 20.439 ( 0.000 0.000 0.000) 0.000 24.800 ( 0.000 0.000 0.000) 0.000 25.289 ( 0.000 0.000 0.000) 0.000 25.637 ( 0.000 0.000 0.000) 0.000 25.974 ( 0.000 0.000 0.000) 0.000 26.601 ( 0.000 0.000 0.000) 0.000 26.876 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 21.440 0.000 0.000) 21.440 0.462 ( 24.929 0.000 0.000) 24.929 0.837 ( 41.797 0.000 0.000) 41.797 1.052 ( -3.900 0.000 0.000) 3.900 1.437 ( 0.977 0.000 0.000) 0.977 1.492 ( -7.202 0.000 0.000) 7.202 1.524 ( 0.113 0.000 0.000) 0.113 1.531 ( -1.503 0.000 0.000) 1.503 1.568 ( -3.632 0.000 0.000) 3.632 1.694 ( -1.415 0.000 0.000) 1.415 1.892 ( 1.508 0.000 0.000) 1.508 1.910 ( 6.413 0.000 0.000) 6.413 1.928 ( 0.214 0.000 0.000) 0.214 1.982 ( 0.452 0.000 0.000) 0.452 2.134 ( 8.454 0.000 0.000) 8.454 2.166 ( 2.557 0.000 0.000) 2.557 2.263 ( 3.740 0.000 0.000) 3.740 2.325 ( 2.219 0.000 0.000) 2.219 2.368 ( 3.150 0.000 0.000) 3.150 2.612 ( 9.995 0.000 0.000) 9.995 2.910 ( -2.872 0.000 0.000) 2.872 3.033 ( 4.346 0.000 0.000) 4.346 3.496 ( 13.946 0.000 0.000) 13.946 3.688 ( -25.679 0.000 0.000) 25.679 4.155 ( -0.962 0.000 0.000) 0.962 4.412 ( -25.709 0.000 0.000) 25.709 4.607 ( -12.479 0.000 0.000) 12.479 4.627 ( 15.670 0.000 0.000) 15.670 4.718 ( -8.053 0.000 0.000) 8.053 4.974 ( 2.746 0.000 0.000) 2.746 5.059 ( 0.363 0.000 0.000) 0.363 5.102 ( -3.847 0.000 0.000) 3.847 5.374 ( 3.613 0.000 0.000) 3.613 5.458 ( 10.823 0.000 0.000) 10.823 5.544 ( 9.721 0.000 0.000) 9.721 5.617 ( 3.824 0.000 0.000) 3.824 5.818 ( 13.428 0.000 0.000) 13.428 5.951 ( -5.029 0.000 0.000) 5.029 6.134 ( 6.212 0.000 0.000) 6.212 6.190 ( -6.977 0.000 0.000) 6.977 6.699 ( -20.931 0.000 0.000) 20.931 7.004 ( -22.284 0.000 0.000) 22.284 7.070 ( 0.799 0.000 0.000) 0.799 7.194 ( 4.551 0.000 0.000) 4.551 7.241 ( -0.979 0.000 0.000) 0.979 7.504 ( -3.616 0.000 0.000) 3.616 7.801 ( 13.974 0.000 0.000) 13.974 7.990 ( 3.932 0.000 0.000) 3.932 8.020 ( 19.945 0.000 0.000) 19.945 8.221 ( 3.342 0.000 0.000) 3.342 8.550 ( 3.193 0.000 0.000) 3.193 8.609 ( -3.211 0.000 0.000) 3.211 8.733 ( -6.543 0.000 0.000) 6.543 8.747 ( -1.928 0.000 0.000) 1.928 8.758 ( 0.105 0.000 0.000) 0.105 8.816 ( -2.395 0.000 0.000) 2.395 9.061 ( 3.347 0.000 0.000) 3.347 9.361 ( -8.350 0.000 0.000) 8.350 9.468 ( -3.489 0.000 0.000) 3.489 9.489 ( -11.103 0.000 0.000) 11.103 9.914 ( -0.660 0.000 0.000) 0.660 9.916 ( 6.657 0.000 0.000) 6.657 9.936 ( 4.095 0.000 0.000) 4.095 10.099 ( -3.279 0.000 0.000) 3.279 10.134 ( 7.001 0.000 0.000) 7.001 10.486 ( -2.359 0.000 0.000) 2.359 10.665 ( 9.393 0.000 0.000) 9.393 10.781 ( 5.069 0.000 0.000) 5.069 10.961 ( 4.387 0.000 0.000) 4.387 11.344 ( -4.424 0.000 0.000) 4.424 11.472 ( -0.375 0.000 0.000) 0.375 11.556 ( 2.112 0.000 0.000) 2.112 11.613 ( 1.381 0.000 0.000) 1.381 11.704 ( -6.767 0.000 0.000) 6.767 12.312 ( -2.304 0.000 0.000) 2.304 12.327 ( -4.534 0.000 0.000) 4.534 12.509 ( 4.336 0.000 0.000) 4.336 12.612 ( 0.096 0.000 0.000) 0.096 13.377 ( 2.942 0.000 0.000) 2.942 13.599 ( 2.224 0.000 0.000) 2.224 13.634 ( -3.472 0.000 0.000) 3.472 13.750 ( -1.318 0.000 0.000) 1.318 14.300 ( 11.187 0.000 0.000) 11.187 14.356 ( 0.170 0.000 0.000) 0.170 14.380 ( -0.411 0.000 0.000) 0.411 15.222 ( 3.683 0.000 0.000) 3.683 15.465 ( -14.689 0.000 0.000) 14.689 15.676 ( -10.207 0.000 0.000) 10.207 16.032 ( 1.215 0.000 0.000) 1.215 16.209 ( -1.730 0.000 0.000) 1.730 17.111 ( 0.646 0.000 0.000) 0.646 17.123 ( -0.009 0.000 0.000) 0.009 18.789 ( 0.405 0.000 0.000) 0.405 18.808 ( 0.190 0.000 0.000) 0.190 18.855 ( 1.748 0.000 0.000) 1.748 18.988 ( -1.752 0.000 0.000) 1.752 19.088 ( 4.123 0.000 0.000) 4.123 19.247 ( 4.517 0.000 0.000) 4.517 19.256 ( -0.899 0.000 0.000) 0.899 19.637 ( -6.695 0.000 0.000) 6.695 20.101 ( 5.837 0.000 0.000) 5.837 20.410 ( -3.159 0.000 0.000) 3.159 25.313 ( 2.684 0.000 0.000) 2.684 25.593 ( -4.613 0.000 0.000) 4.613 25.979 ( 0.519 0.000 0.000) 0.519 26.016 ( -0.406 0.000 0.000) 0.406 26.639 ( 3.891 0.000 0.000) 3.891 26.859 ( -1.916 0.000 0.000) 1.916 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 13.850 0.000 0.000) 13.850 0.888 ( 21.826 0.000 0.000) 21.826 0.946 ( -8.005 0.000 0.000) 8.005 1.232 ( -14.396 0.000 0.000) 14.396 1.429 ( 16.008 0.000 0.000) 16.008 1.463 ( 1.752 0.000 0.000) 1.752 1.498 ( -2.032 0.000 0.000) 2.032 1.525 ( -0.182 0.000 0.000) 0.182 1.553 ( 1.086 0.000 0.000) 1.086 1.644 ( -4.724 0.000 0.000) 4.724 1.919 ( 1.220 0.000 0.000) 1.220 1.931 ( -0.112 0.000 0.000) 0.112 1.974 ( 1.598 0.000 0.000) 1.598 1.987 ( -0.072 0.000 0.000) 0.072 2.232 ( 4.542 0.000 0.000) 4.542 2.308 ( -2.611 0.000 0.000) 2.611 2.310 ( 7.400 0.000 0.000) 7.400 2.361 ( 0.815 0.000 0.000) 0.815 2.561 ( 23.934 0.000 0.000) 23.934 2.756 ( 4.837 0.000 0.000) 4.837 2.838 ( -4.696 0.000 0.000) 4.696 3.125 ( -34.250 0.000 0.000) 34.250 3.302 ( 26.094 0.000 0.000) 26.094 3.846 ( 23.523 0.000 0.000) 23.523 3.863 ( -32.975 0.000 0.000) 32.975 4.250 ( 10.735 0.000 0.000) 10.735 4.281 ( -22.648 0.000 0.000) 22.648 4.493 ( -14.668 0.000 0.000) 14.668 4.870 ( 9.718 0.000 0.000) 9.718 4.977 ( -2.949 0.000 0.000) 2.949 5.074 ( 1.320 0.000 0.000) 1.320 5.086 ( 0.452 0.000 0.000) 0.452 5.478 ( 7.315 0.000 0.000) 7.315 5.603 ( -5.197 0.000 0.000) 5.197 5.711 ( 8.153 0.000 0.000) 8.153 5.714 ( 15.370 0.000 0.000) 15.370 5.855 ( -4.919 0.000 0.000) 4.919 6.009 ( -12.971 0.000 0.000) 12.971 6.098 ( 16.126 0.000 0.000) 16.126 6.289 ( 11.847 0.000 0.000) 11.847 6.378 ( -15.335 0.000 0.000) 15.335 6.589 ( -21.135 0.000 0.000) 21.135 7.096 ( 2.310 0.000 0.000) 2.310 7.164 ( -5.119 0.000 0.000) 5.119 7.314 ( 6.888 0.000 0.000) 6.888 7.423 ( -5.206 0.000 0.000) 5.206 7.992 ( 7.676 0.000 0.000) 7.676 8.052 ( 1.416 0.000 0.000) 1.416 8.302 ( 4.743 0.000 0.000) 4.743 8.397 ( 19.414 0.000 0.000) 19.414 8.436 ( -11.044 0.000 0.000) 11.044 8.624 ( 5.300 0.000 0.000) 5.300 8.671 ( -9.677 0.000 0.000) 9.677 8.698 ( -1.461 0.000 0.000) 1.461 8.752 ( -0.631 0.000 0.000) 0.631 8.753 ( -1.728 0.000 0.000) 1.728 9.160 ( 6.131 0.000 0.000) 6.131 9.228 ( -4.691 0.000 0.000) 4.691 9.320 ( -5.414 0.000 0.000) 5.414 9.365 ( -6.944 0.000 0.000) 6.944 9.938 ( 3.367 0.000 0.000) 3.367 9.997 ( 2.081 0.000 0.000) 2.081 9.998 ( 2.206 0.000 0.000) 2.206 10.020 ( -5.046 0.000 0.000) 5.046 10.281 ( 8.309 0.000 0.000) 8.309 10.412 ( -5.873 0.000 0.000) 5.873 10.833 ( 7.154 0.000 0.000) 7.154 10.870 ( 2.939 0.000 0.000) 2.939 11.077 ( 7.998 0.000 0.000) 7.998 11.228 ( -7.990 0.000 0.000) 7.990 11.477 ( 1.753 0.000 0.000) 1.753 11.562 ( -7.492 0.000 0.000) 7.492 11.603 ( 2.551 0.000 0.000) 2.551 11.629 ( -0.107 0.000 0.000) 0.107 12.268 ( -1.652 0.000 0.000) 1.652 12.271 ( -1.672 0.000 0.000) 1.672 12.573 ( 2.668 0.000 0.000) 2.668 12.605 ( -0.973 0.000 0.000) 0.973 13.452 ( 5.100 0.000 0.000) 5.100 13.550 ( -5.416 0.000 0.000) 5.416 13.654 ( 3.541 0.000 0.000) 3.541 13.713 ( -2.757 0.000 0.000) 2.757 14.361 ( 0.413 0.000 0.000) 0.413 14.370 ( -0.561 0.000 0.000) 0.561 14.605 ( 22.418 0.000 0.000) 22.418 15.070 ( -26.864 0.000 0.000) 26.864 15.319 ( 7.035 0.000 0.000) 7.035 15.473 ( -10.088 0.000 0.000) 10.088 16.093 ( 4.225 0.000 0.000) 4.225 16.163 ( -3.317 0.000 0.000) 3.317 17.120 ( 0.307 0.000 0.000) 0.307 17.123 ( -0.052 0.000 0.000) 0.052 18.800 ( 0.671 0.000 0.000) 0.671 18.808 ( -0.209 0.000 0.000) 0.209 18.897 ( 2.708 0.000 0.000) 2.708 18.947 ( -2.645 0.000 0.000) 2.645 19.168 ( 4.147 0.000 0.000) 4.147 19.227 ( -2.375 0.000 0.000) 2.375 19.356 ( 7.266 0.000 0.000) 7.266 19.498 ( -8.136 0.000 0.000) 8.136 20.218 ( 6.630 0.000 0.000) 6.630 20.330 ( -5.518 0.000 0.000) 5.518 25.384 ( 5.102 0.000 0.000) 5.102 25.490 ( -6.214 0.000 0.000) 6.214 25.991 ( 0.782 0.000 0.000) 0.782 26.005 ( -0.712 0.000 0.000) 0.712 26.724 ( 5.010 0.000 0.000) 5.010 26.806 ( -3.869 0.000 0.000) 3.869 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 23.248 0.000) 23.248 0.500 ( 0.000 25.849 0.000) 25.849 1.060 ( 0.000 51.242 0.000) 51.242 1.315 ( 0.000 11.043 0.000) 11.043 1.476 ( 0.000 -1.563 0.000) 1.563 1.501 ( 0.000 -2.621 0.000) 2.621 1.586 ( 0.000 7.364 0.000) 7.364 1.601 ( 0.000 2.180 0.000) 2.180 1.803 ( 0.000 -3.971 0.000) 3.971 1.833 ( 0.000 -5.255 0.000) 5.255 1.853 ( 0.000 2.548 0.000) 2.548 1.981 ( 0.000 23.726 0.000) 23.726 2.205 ( 0.000 7.527 0.000) 7.527 2.263 ( 0.000 8.760 0.000) 8.760 2.301 ( 0.000 17.996 0.000) 17.996 2.328 ( 0.000 28.142 0.000) 28.142 2.342 ( 0.000 38.999 0.000) 38.999 2.361 ( 0.000 6.082 0.000) 6.082 2.366 ( 0.000 37.145 0.000) 37.145 2.521 ( 0.000 4.304 0.000) 4.304 2.926 ( 0.000 -0.719 0.000) 0.719 2.967 ( 0.000 -4.969 0.000) 4.969 3.969 ( 0.000 2.446 0.000) 2.446 4.019 ( 0.000 2.314 0.000) 2.314 4.459 ( 0.000 3.781 0.000) 3.781 4.628 ( 0.000 -4.632 0.000) 4.632 4.760 ( 0.000 3.890 0.000) 3.890 4.794 ( 0.000 2.483 0.000) 2.483 4.975 ( 0.000 1.455 0.000) 1.455 4.979 ( 0.000 -6.899 0.000) 6.899 5.142 ( 0.000 -2.456 0.000) 2.456 5.157 ( 0.000 -9.134 0.000) 9.134 5.193 ( 0.000 8.776 0.000) 8.776 5.299 ( 0.000 -11.829 0.000) 11.829 5.426 ( 0.000 8.769 0.000) 8.769 5.563 ( 0.000 0.755 0.000) 0.755 5.634 ( 0.000 8.155 0.000) 8.155 6.111 ( 0.000 2.877 0.000) 2.877 6.122 ( 0.000 7.273 0.000) 7.273 6.279 ( 0.000 2.679 0.000) 2.679 6.836 ( 0.000 -14.873 0.000) 14.873 6.960 ( 0.000 -11.582 0.000) 11.582 7.093 ( 0.000 2.977 0.000) 2.977 7.104 ( 0.000 -3.511 0.000) 3.511 7.481 ( 0.000 5.140 0.000) 5.140 7.526 ( 0.000 -4.002 0.000) 4.002 7.548 ( 0.000 0.796 0.000) 0.796 7.602 ( 0.000 -10.716 0.000) 10.716 8.150 ( 0.000 -18.434 0.000) 18.434 8.407 ( 0.000 -10.340 0.000) 10.340 8.529 ( 0.000 -8.457 0.000) 8.457 8.592 ( 0.000 25.605 0.000) 25.605 8.673 ( 0.000 -9.584 0.000) 9.584 8.778 ( 0.000 -8.075 0.000) 8.075 8.849 ( 0.000 5.984 0.000) 5.984 9.209 ( 0.000 18.501 0.000) 18.501 9.233 ( 0.000 3.913 0.000) 3.913 9.376 ( 0.000 -9.971 0.000) 9.971 9.431 ( 0.000 -2.163 0.000) 2.163 9.477 ( 0.000 -9.410 0.000) 9.410 9.739 ( 0.000 -6.766 0.000) 6.766 10.022 ( 0.000 -4.278 0.000) 4.278 10.087 ( 0.000 11.178 0.000) 11.178 10.131 ( 0.000 -1.061 0.000) 1.061 10.570 ( 0.000 18.992 0.000) 18.992 10.634 ( 0.000 13.183 0.000) 13.183 10.660 ( 0.000 8.937 0.000) 8.937 10.978 ( 0.000 6.079 0.000) 6.079 10.993 ( 0.000 2.343 0.000) 2.343 11.303 ( 0.000 -12.113 0.000) 12.113 11.413 ( 0.000 0.726 0.000) 0.726 11.681 ( 0.000 4.638 0.000) 4.638 11.716 ( 0.000 6.602 0.000) 6.602 12.133 ( 0.000 -0.014 0.000) 0.014 12.292 ( 0.000 -3.485 0.000) 3.485 12.321 ( 0.000 -9.144 0.000) 9.144 12.400 ( 0.000 -2.718 0.000) 2.718 12.555 ( 0.000 -5.281 0.000) 5.281 12.857 ( 0.000 -4.627 0.000) 4.627 13.261 ( 0.000 -9.089 0.000) 9.089 13.654 ( 0.000 6.979 0.000) 6.979 13.803 ( 0.000 4.112 0.000) 4.112 14.284 ( 0.000 -2.735 0.000) 2.735 14.326 ( 0.000 -3.012 0.000) 3.012 14.399 ( 0.000 1.574 0.000) 1.574 14.657 ( 0.000 -1.490 0.000) 1.490 15.540 ( 0.000 35.542 0.000) 35.542 15.735 ( 0.000 9.864 0.000) 9.864 15.834 ( 0.000 7.491 0.000) 7.491 16.218 ( 0.000 20.515 0.000) 20.515 17.182 ( 0.000 8.598 0.000) 8.598 17.203 ( 0.000 8.374 0.000) 8.374 18.697 ( 0.000 -7.748 0.000) 7.748 18.705 ( 0.000 -6.802 0.000) 6.802 18.733 ( 0.000 -10.988 0.000) 10.988 18.895 ( 0.000 -9.025 0.000) 9.025 19.093 ( 0.000 2.471 0.000) 2.471 19.281 ( 0.000 1.908 0.000) 1.908 19.296 ( 0.000 5.722 0.000) 5.722 19.681 ( 0.000 -2.717 0.000) 2.717 20.742 ( 0.000 33.897 0.000) 33.897 23.718 ( 0.000 15.351 0.000) 15.351 24.874 ( 0.000 7.999 0.000) 7.999 25.179 ( 0.000 -12.326 0.000) 12.326 25.573 ( 0.000 -6.903 0.000) 6.903 25.968 ( 0.000 0.034 0.000) 0.034 26.532 ( 0.000 -7.798 0.000) 7.798 26.845 ( 0.000 -3.607 0.000) 3.607 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 15.282 17.659 0.000) 23.353 0.792 ( 19.587 16.776 0.000) 25.789 1.231 ( 18.829 38.052 0.000) 42.456 1.271 ( -4.532 11.344 0.000) 12.216 1.481 ( 0.551 -0.799 0.000) 0.971 1.491 ( -6.102 0.796 0.000) 6.154 1.532 ( -2.920 0.270 0.000) 2.932 1.600 ( 1.184 7.667 0.000) 7.758 1.815 ( 1.298 -4.499 0.000) 4.683 1.833 ( 0.012 -5.034 0.000) 5.034 1.978 ( 10.954 4.480 0.000) 11.834 1.997 ( 3.632 26.875 0.000) 27.119 2.225 ( 2.142 8.227 0.000) 8.501 2.278 ( 1.023 13.226 0.000) 13.266 2.312 ( 2.319 17.309 0.000) 17.464 2.319 ( -2.210 38.222 0.000) 38.286 2.347 ( 1.608 21.810 0.000) 21.869 2.367 ( 0.201 30.988 0.000) 30.989 2.415 ( 5.758 11.373 0.000) 12.748 2.622 ( 9.438 2.553 0.000) 9.777 2.902 ( -2.581 -0.373 0.000) 2.608 2.988 ( 4.699 -4.753 0.000) 6.684 3.724 ( -24.438 4.013 0.000) 24.766 3.920 ( -4.619 9.660 0.000) 10.707 4.386 ( -24.920 -2.826 0.000) 25.079 4.606 ( -10.535 11.005 0.000) 15.235 4.640 ( -13.257 2.529 0.000) 13.496 4.646 ( 3.554 12.232 0.000) 12.738 4.733 ( -6.341 1.628 0.000) 6.546 4.985 ( 0.503 -0.283 0.000) 0.577 5.068 ( -1.894 2.427 0.000) 3.078 5.082 ( -1.321 -0.629 0.000) 1.463 5.293 ( 11.182 -4.374 0.000) 12.007 5.441 ( 10.186 -10.058 0.000) 14.315 5.632 ( 1.717 5.360 0.000) 5.629 5.634 ( 4.556 0.902 0.000) 4.645 5.760 ( 19.391 4.824 0.000) 19.982 5.991 ( -7.852 2.732 0.000) 8.313 6.168 ( 4.885 5.426 0.000) 7.301 6.222 ( -6.442 3.330 0.000) 7.252 6.558 ( -17.122 -8.101 0.000) 18.942 6.989 ( -15.273 -4.585 0.000) 15.947 7.097 ( 0.478 2.538 0.000) 2.582 7.134 ( 5.567 -7.783 0.000) 9.569 7.317 ( -1.738 6.582 0.000) 6.808 7.528 ( -2.261 1.913 0.000) 2.962 7.637 ( 10.091 -13.122 0.000) 16.554 7.814 ( 12.602 -10.599 0.000) 16.467 8.100 ( -3.899 -15.501 0.000) 15.984 8.385 ( 0.080 -4.153 0.000) 4.154 8.471 ( -8.359 -10.331 0.000) 13.289 8.645 ( -7.460 -2.544 0.000) 7.881 8.649 ( 3.925 14.302 0.000) 14.831 8.716 ( 1.858 -7.193 0.000) 7.429 8.879 ( 2.828 9.862 0.000) 10.259 9.083 ( -10.975 15.303 0.000) 18.832 9.232 ( 2.222 14.855 0.000) 15.020 9.284 ( -6.427 -8.128 0.000) 10.362 9.384 ( -6.901 -4.799 0.000) 8.406 9.483 ( 1.275 -1.460 0.000) 1.938 9.815 ( 5.343 -4.731 0.000) 7.136 10.000 ( -4.074 3.231 0.000) 5.200 10.082 ( 0.592 10.686 0.000) 10.703 10.106 ( 2.630 1.959 0.000) 3.279 10.494 ( -4.474 25.998 0.000) 26.380 10.606 ( -2.299 12.448 0.000) 12.658 10.709 ( 3.875 3.702 0.000) 5.359 10.834 ( -5.098 6.778 0.000) 8.482 11.027 ( 4.920 6.391 0.000) 8.065 11.333 ( 3.443 -8.591 0.000) 9.255 11.358 ( -5.183 1.171 0.000) 5.314 11.634 ( -0.500 6.830 0.000) 6.849 11.729 ( 1.215 7.100 0.000) 7.203 11.819 ( -10.653 11.991 0.000) 16.040 12.241 ( -2.754 -7.315 0.000) 7.816 12.255 ( -4.565 -7.490 0.000) 8.772 12.462 ( 4.218 -4.441 0.000) 6.125 12.562 ( 0.209 -5.287 0.000) 5.291 13.283 ( 2.395 -9.508 0.000) 9.805 13.331 ( 12.854 -22.893 0.000) 26.254 13.670 ( 1.797 6.643 0.000) 6.882 13.792 ( -1.221 4.178 0.000) 4.352 14.308 ( 3.499 -2.526 0.000) 4.316 14.326 ( 0.005 -3.139 0.000) 3.139 14.407 ( 5.056 4.392 0.000) 6.697 15.227 ( 35.209 -32.740 0.000) 48.078 15.567 ( -18.236 7.422 0.000) 19.689 15.607 ( 8.976 30.119 0.000) 31.429 15.796 ( -4.224 9.605 0.000) 10.492 16.165 ( -4.680 18.055 0.000) 18.652 17.189 ( 0.565 8.495 0.000) 8.514 17.202 ( -0.078 8.393 0.000) 8.394 18.702 ( 0.419 -8.093 0.000) 8.104 18.706 ( 0.097 -7.060 0.000) 7.061 18.754 ( 2.090 -10.722 0.000) 10.924 18.887 ( -1.120 -9.233 0.000) 9.301 19.124 ( 3.342 2.506 0.000) 4.177 19.274 ( -0.838 2.034 0.000) 2.200 19.349 ( 5.512 6.004 0.000) 8.151 19.674 ( -1.375 -2.334 0.000) 2.709 20.742 ( 0.320 36.964 0.000) 36.965 22.002 ( -86.575 100.459 0.000) 132.617 25.205 ( 2.932 -12.064 0.000) 12.415 25.511 ( -3.520 -9.164 0.000) 9.817 25.668 ( 24.291 -18.705 0.000) 30.658 25.966 ( -0.224 -0.552 0.000) 0.596 26.575 ( 4.398 -7.035 0.000) 8.297 26.825 ( -2.203 -3.860 0.000) 4.445 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 17.652 8.720 0.000) 19.688 1.027 ( 9.022 17.332 0.000) 19.540 1.167 ( -6.722 13.398 0.000) 14.989 1.272 ( -15.087 4.058 0.000) 15.624 1.495 ( 0.864 0.069 0.000) 0.867 1.500 ( 2.256 4.245 0.000) 4.807 1.552 ( 6.278 11.651 0.000) 13.235 1.611 ( -0.509 9.267 0.000) 9.281 1.834 ( 0.405 -4.674 0.000) 4.692 1.834 ( 0.138 -4.562 0.000) 4.564 2.142 ( 9.361 29.729 0.000) 31.168 2.156 ( 8.049 25.654 0.000) 26.887 2.248 ( -4.105 17.472 0.000) 17.948 2.256 ( -1.268 32.805 0.000) 32.830 2.303 ( 1.782 24.934 0.000) 24.997 2.349 ( -1.518 11.159 0.000) 11.262 2.380 ( 2.810 12.817 0.000) 13.121 2.385 ( 1.514 11.308 0.000) 11.408 2.635 ( 22.196 9.369 0.000) 24.092 2.754 ( 4.615 0.560 0.000) 4.649 2.836 ( -4.545 0.267 0.000) 4.553 3.180 ( -33.430 5.918 0.000) 33.950 3.272 ( 26.914 -3.015 0.000) 27.082 3.841 ( -33.095 -2.314 0.000) 33.176 3.997 ( 13.262 9.186 0.000) 16.133 4.323 ( -20.060 3.363 0.000) 20.340 4.463 ( 1.829 16.408 0.000) 16.510 4.582 ( -9.165 7.311 0.000) 11.724 4.860 ( 9.014 -0.792 0.000) 9.049 4.961 ( -3.063 -1.932 0.000) 3.621 5.073 ( 1.621 0.970 0.000) 1.889 5.092 ( 0.334 1.344 0.000) 1.385 5.502 ( 9.973 -0.189 0.000) 9.974 5.594 ( 3.533 -6.218 0.000) 7.152 5.663 ( 1.354 -2.030 0.000) 2.441 5.712 ( 4.702 -8.467 0.000) 9.685 5.839 ( -0.706 7.945 0.000) 7.976 6.033 ( -14.147 3.114 0.000) 14.486 6.124 ( 13.862 5.894 0.000) 15.063 6.313 ( -10.032 0.596 0.000) 10.049 6.315 ( 13.192 1.618 0.000) 13.291 6.638 ( -20.272 0.782 0.000) 20.287 7.114 ( 1.589 1.321 0.000) 2.066 7.157 ( -2.559 -1.569 0.000) 3.002 7.366 ( 6.077 4.970 0.000) 7.851 7.467 ( -4.506 4.078 0.000) 6.077 7.870 ( 12.129 -21.015 0.000) 24.264 8.003 ( 10.325 -12.164 0.000) 15.955 8.022 ( -5.500 -20.814 0.000) 21.529 8.236 ( -14.659 -8.460 0.000) 16.925 8.446 ( 5.768 -4.285 0.000) 7.186 8.548 ( -4.866 -5.970 0.000) 7.702 8.700 ( 2.093 7.065 0.000) 7.368 8.737 ( -1.175 0.300 0.000) 1.213 8.935 ( 2.928 15.318 0.000) 15.596 8.964 ( -1.669 18.191 0.000) 18.268 9.177 ( -4.023 -7.476 0.000) 8.490 9.197 ( -5.398 -6.487 0.000) 8.439 9.369 ( 4.995 12.254 0.000) 13.233 9.458 ( -3.722 4.682 0.000) 5.981 9.889 ( 3.294 1.428 0.000) 3.590 9.943 ( -2.646 5.806 0.000) 6.381 10.125 ( 3.325 7.436 0.000) 8.146 10.157 ( 0.811 2.656 0.000) 2.777 10.476 ( 2.168 20.612 0.000) 20.726 10.544 ( -4.307 14.389 0.000) 15.020 10.781 ( 3.356 -4.427 0.000) 5.555 10.809 ( -0.100 -3.751 0.000) 3.752 11.127 ( 5.803 3.240 0.000) 6.646 11.243 ( -6.974 1.247 0.000) 7.085 11.437 ( 8.078 0.191 0.000) 8.080 11.597 ( -7.745 3.725 0.000) 8.594 11.719 ( 0.994 11.558 0.000) 11.601 11.743 ( -0.187 8.847 0.000) 8.849 12.192 ( -1.941 -7.774 0.000) 8.012 12.193 ( -1.894 -8.042 0.000) 8.262 12.526 ( 2.652 -4.792 0.000) 5.477 12.557 ( -0.876 -5.037 0.000) 5.112 13.341 ( 3.643 -10.999 0.000) 11.587 13.395 ( -1.583 -14.519 0.000) 14.605 13.713 ( 2.731 5.639 0.000) 6.266 13.760 ( -2.285 4.617 0.000) 5.151 14.327 ( 0.144 -3.469 0.000) 3.472 14.330 ( -0.093 -3.898 0.000) 3.899 14.662 ( 21.689 5.319 0.000) 22.332 15.128 ( -27.749 5.251 0.000) 28.242 15.561 ( 8.780 8.649 0.000) 12.325 15.695 ( -6.624 14.472 0.000) 15.916 15.875 ( 14.810 -3.037 0.000) 15.118 16.064 ( -7.051 6.430 0.000) 9.543 17.197 ( 0.297 8.400 0.000) 8.406 17.200 ( -0.104 8.394 0.000) 8.395 18.708 ( 0.219 -8.260 0.000) 8.263 18.709 ( 0.152 -7.734 0.000) 7.736 18.801 ( 2.949 -10.035 0.000) 10.460 18.853 ( -2.564 -9.482 0.000) 9.823 19.194 ( 3.776 2.323 0.000) 4.433 19.248 ( -2.116 2.179 0.000) 3.037 19.477 ( 8.047 5.388 0.000) 9.684 19.610 ( -5.867 1.343 0.000) 6.019 20.784 ( 5.860 48.830 0.000) 49.180 21.047 ( -27.337 75.482 0.000) 80.280 25.283 ( 5.626 -11.231 0.000) 12.561 25.400 ( -6.926 -9.832 0.000) 12.027 25.900 ( 5.622 -8.053 0.000) 9.821 25.954 ( -1.337 -2.695 0.000) 3.009 26.672 ( 5.700 -5.728 0.000) 8.081 26.765 ( -4.401 -4.591 0.000) 6.360 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 17.286 0.000) 17.286 0.933 ( 0.000 20.006 0.000) 20.006 1.403 ( 0.000 1.325 0.000) 1.325 1.419 ( 0.000 -4.955 0.000) 4.955 1.465 ( 0.000 -0.088 0.000) 0.088 1.631 ( 0.000 1.605 0.000) 1.605 1.689 ( 0.000 -4.807 0.000) 4.807 1.737 ( 0.000 -2.540 0.000) 2.540 1.778 ( 0.000 6.482 0.000) 6.482 1.821 ( 0.000 24.562 0.000) 24.562 1.934 ( 0.000 9.266 0.000) 9.266 2.074 ( 0.000 -1.252 0.000) 1.252 2.209 ( 0.000 -4.890 0.000) 4.890 2.385 ( 0.000 11.328 0.000) 11.328 2.421 ( 0.000 3.615 0.000) 3.615 2.494 ( 0.000 0.108 0.000) 0.108 2.829 ( 0.000 -9.579 0.000) 9.579 2.837 ( 0.000 -1.226 0.000) 1.226 2.878 ( 0.000 39.124 0.000) 39.124 3.251 ( 0.000 43.108 0.000) 43.108 3.312 ( 0.000 49.096 0.000) 49.096 3.397 ( 0.000 60.581 0.000) 60.581 4.054 ( 0.000 7.399 0.000) 7.399 4.079 ( 0.000 3.898 0.000) 3.898 4.523 ( 0.000 2.054 0.000) 2.054 4.524 ( 0.000 -6.420 0.000) 6.420 4.823 ( 0.000 1.297 0.000) 1.297 4.830 ( 0.000 -0.017 0.000) 0.017 4.846 ( 0.000 -5.986 0.000) 5.986 4.918 ( 0.000 -6.611 0.000) 6.611 5.000 ( 0.000 -8.104 0.000) 8.104 5.019 ( 0.000 -16.290 0.000) 16.290 5.189 ( 0.000 8.139 0.000) 8.139 5.356 ( 0.000 -20.229 0.000) 20.229 5.364 ( 0.000 6.142 0.000) 6.142 5.569 ( 0.000 -0.261 0.000) 0.261 5.768 ( 0.000 14.002 0.000) 14.002 6.248 ( 0.000 4.679 0.000) 4.679 6.366 ( 0.000 7.128 0.000) 7.128 6.469 ( 0.000 31.192 0.000) 31.192 6.625 ( 0.000 -6.693 0.000) 6.693 6.774 ( 0.000 -6.868 0.000) 6.868 6.993 ( 0.000 -7.055 0.000) 7.055 7.163 ( 0.000 4.177 0.000) 4.177 7.371 ( 0.000 -12.314 0.000) 12.314 7.439 ( 0.000 -10.614 0.000) 10.614 7.536 ( 0.000 3.036 0.000) 3.036 7.549 ( 0.000 -3.841 0.000) 3.841 7.807 ( 0.000 -12.392 0.000) 12.392 8.165 ( 0.000 -14.803 0.000) 14.803 8.308 ( 0.000 -17.191 0.000) 17.191 8.436 ( 0.000 -15.345 0.000) 15.345 8.544 ( 0.000 -11.785 0.000) 11.785 8.838 ( 0.000 0.858 0.000) 0.858 8.905 ( 0.000 0.049 0.000) 0.049 9.112 ( 0.000 -17.541 0.000) 17.541 9.322 ( 0.000 5.227 0.000) 5.227 9.439 ( 0.000 2.100 0.000) 2.100 9.451 ( 0.000 5.419 0.000) 5.419 9.607 ( 0.000 -3.729 0.000) 3.729 9.638 ( 0.000 22.262 0.000) 22.262 9.925 ( 0.000 -5.309 0.000) 5.309 10.053 ( 0.000 -6.981 0.000) 6.981 10.304 ( 0.000 11.065 0.000) 11.065 10.832 ( 0.000 7.744 0.000) 7.744 10.879 ( 0.000 5.395 0.000) 5.395 10.954 ( 0.000 19.871 0.000) 19.871 11.126 ( 0.000 11.922 0.000) 11.922 11.149 ( 0.000 2.704 0.000) 2.704 11.158 ( 0.000 13.023 0.000) 13.023 11.428 ( 0.000 0.760 0.000) 0.760 11.790 ( 0.000 0.493 0.000) 0.493 11.797 ( 0.000 7.511 0.000) 7.511 12.033 ( 0.000 -10.835 0.000) 10.835 12.088 ( 0.000 -15.198 0.000) 15.198 12.301 ( 0.000 4.884 0.000) 4.884 12.365 ( 0.000 0.591 0.000) 0.591 12.414 ( 0.000 -9.660 0.000) 9.660 12.744 ( 0.000 -7.243 0.000) 7.243 13.035 ( 0.000 -14.448 0.000) 14.448 13.804 ( 0.000 8.532 0.000) 8.532 13.900 ( 0.000 5.952 0.000) 5.952 14.211 ( 0.000 -4.973 0.000) 4.973 14.247 ( 0.000 -5.207 0.000) 5.207 14.440 ( 0.000 2.707 0.000) 2.707 14.617 ( 0.000 -2.660 0.000) 2.660 15.875 ( 0.000 5.359 0.000) 5.359 15.952 ( 0.000 4.130 0.000) 4.130 16.382 ( 0.000 50.379 0.000) 50.379 16.805 ( 0.000 38.054 0.000) 38.054 17.417 ( 0.000 15.596 0.000) 15.596 17.426 ( 0.000 15.192 0.000) 15.192 18.441 ( 0.000 -19.728 0.000) 19.728 18.481 ( 0.000 -15.649 0.000) 15.649 18.550 ( 0.000 -10.238 0.000) 10.238 18.679 ( 0.000 -13.946 0.000) 13.946 19.137 ( 0.000 2.590 0.000) 2.590 19.334 ( 0.000 3.680 0.000) 3.680 19.335 ( 0.000 -1.341 0.000) 1.341 19.611 ( 0.000 -4.626 0.000) 4.626 21.684 ( 0.000 63.384 0.000) 63.384 24.102 ( 0.000 24.449 0.000) 24.449 24.797 ( 0.000 -29.473 0.000) 29.473 25.102 ( 0.000 16.085 0.000) 16.085 25.378 ( 0.000 -13.723 0.000) 13.723 26.016 ( 0.000 6.146 0.000) 6.146 26.307 ( 0.000 -16.326 0.000) 16.326 26.726 ( 0.000 -9.509 0.000) 9.509 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 7.114 17.001 0.000) 18.430 1.063 ( 16.378 12.805 0.000) 20.790 1.381 ( -2.183 2.654 0.000) 3.436 1.470 ( 3.319 -2.634 0.000) 4.237 1.474 ( 0.901 -0.133 0.000) 0.910 1.551 ( -7.943 2.761 0.000) 8.410 1.703 ( 1.258 -5.904 0.000) 6.037 1.736 ( -0.238 -3.839 0.000) 3.846 1.782 ( 0.590 7.894 0.000) 7.916 1.847 ( 1.494 21.297 0.000) 21.350 2.048 ( 10.272 3.624 0.000) 10.892 2.150 ( 12.003 4.238 0.000) 12.729 2.229 ( 1.954 -4.892 0.000) 5.268 2.404 ( 1.995 10.908 0.000) 11.089 2.475 ( 5.841 4.728 0.000) 7.515 2.592 ( 8.570 0.485 0.000) 8.584 2.816 ( -2.404 -0.046 0.000) 2.405 2.832 ( 2.616 3.241 0.000) 4.165 2.919 ( 5.151 26.629 0.000) 27.123 3.150 ( -7.056 40.093 0.000) 40.709 3.380 ( 3.433 52.680 0.000) 52.791 3.406 ( 1.019 59.919 0.000) 59.927 3.842 ( -21.846 8.829 0.000) 23.563 4.066 ( 0.471 7.235 0.000) 7.250 4.309 ( -23.075 -5.281 0.000) 23.671 4.586 ( 3.845 -3.852 0.000) 5.443 4.660 ( -14.205 -1.317 0.000) 14.266 4.767 ( -5.183 1.129 0.000) 5.304 4.806 ( -0.541 2.082 0.000) 2.151 4.910 ( -0.177 -6.477 0.000) 6.480 5.069 ( 4.348 -4.640 0.000) 6.359 5.078 ( 4.126 -6.647 0.000) 7.824 5.261 ( 5.675 -1.678 0.000) 5.918 5.300 ( 1.488 -2.095 0.000) 2.570 5.422 ( 1.546 -15.303 0.000) 15.381 5.632 ( 3.952 -1.675 0.000) 4.293 5.942 ( 16.662 10.813 0.000) 19.863 6.288 ( 4.106 5.803 0.000) 7.109 6.313 ( -5.929 7.246 0.000) 9.362 6.350 ( -10.315 31.559 0.000) 33.201 6.520 ( -5.422 4.346 0.000) 6.948 6.874 ( -6.805 -5.952 0.000) 9.041 6.942 ( 6.154 -10.761 0.000) 12.396 7.143 ( -1.826 1.873 0.000) 2.616 7.361 ( -0.889 -6.666 0.000) 6.725 7.437 ( 3.154 -9.256 0.000) 9.778 7.553 ( 0.375 -4.703 0.000) 4.717 7.613 ( 5.407 -7.284 0.000) 9.072 7.735 ( -7.679 -12.411 0.000) 14.594 8.192 ( -10.759 -20.049 0.000) 22.754 8.194 ( 3.155 -13.438 0.000) 13.803 8.452 ( -3.188 -16.158 0.000) 16.469 8.574 ( 6.243 -5.921 0.000) 8.604 8.769 ( -3.522 -0.399 0.000) 3.544 8.956 ( 1.781 -4.742 0.000) 5.065 9.066 ( -4.149 -13.765 0.000) 14.377 9.316 ( -0.223 8.785 0.000) 8.788 9.385 ( -3.505 11.015 0.000) 11.559 9.481 ( 3.092 2.328 0.000) 3.870 9.630 ( -1.133 18.842 0.000) 18.877 9.737 ( 9.692 -3.082 0.000) 10.170 9.933 ( 1.067 -5.809 0.000) 5.906 10.101 ( 4.931 -5.855 0.000) 7.655 10.308 ( 0.355 10.848 0.000) 10.853 10.761 ( -4.533 2.336 0.000) 5.099 10.887 ( -0.486 13.903 0.000) 13.911 10.911 ( -4.492 19.747 0.000) 20.251 11.061 ( -6.144 15.797 0.000) 16.950 11.098 ( 0.969 1.440 0.000) 1.736 11.337 ( 11.649 11.044 0.000) 16.052 11.377 ( -5.282 0.559 0.000) 5.312 11.772 ( -2.179 7.960 0.000) 8.253 11.805 ( 1.815 -1.043 0.000) 2.094 12.011 ( -1.495 -6.675 0.000) 6.841 12.074 ( -1.334 -10.497 0.000) 10.582 12.123 ( -11.124 8.347 0.000) 13.907 12.387 ( 1.982 -1.599 0.000) 2.547 12.422 ( 0.725 -9.140 0.000) 9.169 12.958 ( 12.364 -16.982 0.000) 21.006 13.050 ( 1.503 -14.818 0.000) 14.895 13.815 ( 1.126 8.292 0.000) 8.368 13.891 ( -0.973 6.079 0.000) 6.156 14.226 ( 1.096 -5.588 0.000) 5.694 14.245 ( -0.239 -5.324 0.000) 5.329 14.500 ( 8.530 5.008 0.000) 9.891 14.851 ( 22.346 -11.365 0.000) 25.071 15.688 ( -19.482 5.637 0.000) 20.281 15.881 ( -7.968 0.243 0.000) 7.972 16.419 ( 3.973 49.581 0.000) 49.740 16.755 ( -5.072 39.847 0.000) 40.169 17.419 ( 0.215 15.274 0.000) 15.275 17.425 ( -0.131 15.016 0.000) 15.017 18.465 ( 2.312 -18.533 0.000) 18.677 18.491 ( 1.318 -15.850 0.000) 15.905 18.542 ( -0.758 -10.775 0.000) 10.802 18.661 ( -1.987 -14.775 0.000) 14.908 19.173 ( 3.583 2.847 0.000) 4.576 19.327 ( -0.760 3.679 0.000) 3.757 19.385 ( 4.943 -1.706 0.000) 5.229 19.605 ( -0.869 -4.659 0.000) 4.739 21.740 ( 6.763 65.510 0.000) 65.858 23.362 ( -55.974 54.651 0.000) 78.230 24.832 ( 3.942 -28.752 0.000) 29.021 25.278 ( -7.288 -16.521 0.000) 18.057 25.518 ( 23.165 2.103 0.000) 23.260 26.003 ( -1.535 5.574 0.000) 5.781 26.373 ( 6.428 -14.557 0.000) 15.913 26.701 ( -2.758 -9.732 0.000) 10.116 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 10.815 11.049 0.000) 15.461 1.265 ( 5.976 9.213 0.000) 10.981 1.335 ( -2.832 5.776 0.000) 6.433 1.371 ( -11.072 6.089 0.000) 12.636 1.492 ( 0.955 -0.210 0.000) 0.978 1.502 ( 0.219 -0.798 0.000) 0.827 1.723 ( 0.780 -6.933 0.000) 6.977 1.731 ( -0.270 -5.584 0.000) 5.591 1.803 ( 1.775 10.315 0.000) 10.467 1.839 ( -1.820 12.919 0.000) 13.047 2.219 ( 6.596 -0.838 0.000) 6.649 2.261 ( 0.853 -4.066 0.000) 4.155 2.416 ( 7.759 7.045 0.000) 10.480 2.444 ( 1.723 9.264 0.000) 9.423 2.670 ( 6.987 1.577 0.000) 7.163 2.734 ( 22.320 8.775 0.000) 23.983 2.751 ( -4.474 2.078 0.000) 4.933 2.934 ( 5.927 33.846 0.000) 34.361 3.028 ( -6.407 34.675 0.000) 35.262 3.193 ( 26.006 1.288 0.000) 26.038 3.306 ( -28.811 22.110 0.000) 36.317 3.435 ( 2.530 56.022 0.000) 56.079 3.436 ( -4.120 46.022 0.000) 46.206 3.784 ( -32.209 -2.901 0.000) 32.339 4.149 ( 9.177 7.243 0.000) 11.690 4.381 ( -15.409 2.398 0.000) 15.595 4.615 ( 1.424 -0.714 0.000) 1.593 4.674 ( -4.745 1.339 0.000) 4.931 4.859 ( 3.860 0.131 0.000) 3.863 4.902 ( -1.061 -4.576 0.000) 4.698 5.120 ( 1.873 2.852 0.000) 3.412 5.131 ( 1.180 0.237 0.000) 1.204 5.352 ( 4.092 -13.729 0.000) 14.325 5.391 ( 1.815 -21.699 0.000) 21.775 5.464 ( 7.620 -3.548 0.000) 8.406 5.622 ( -5.867 -4.881 0.000) 7.632 6.192 ( -3.263 26.419 0.000) 26.619 6.200 ( -4.584 16.479 0.000) 17.105 6.293 ( 18.143 8.694 0.000) 20.119 6.378 ( 5.543 7.458 0.000) 9.292 6.449 ( -3.551 11.286 0.000) 11.832 6.632 ( -16.576 0.548 0.000) 16.585 7.063 ( 3.904 -9.121 0.000) 9.921 7.107 ( -1.981 -2.881 0.000) 3.496 7.381 ( 5.583 -13.964 0.000) 15.039 7.538 ( -7.275 -26.092 0.000) 27.087 7.545 ( 4.426 -1.274 0.000) 4.605 7.578 ( -3.570 8.040 0.000) 8.797 7.721 ( 9.218 -18.262 0.000) 20.457 7.954 ( -14.468 -21.430 0.000) 25.857 8.273 ( 5.285 -12.365 0.000) 13.447 8.370 ( -5.146 -12.773 0.000) 13.771 8.690 ( 4.913 -4.708 0.000) 6.805 8.735 ( -0.950 -2.862 0.000) 3.015 8.966 ( 0.268 -9.751 0.000) 9.755 8.994 ( -3.141 -10.624 0.000) 11.079 9.321 ( 0.781 15.770 0.000) 15.789 9.343 ( -1.623 17.812 0.000) 17.886 9.529 ( 2.670 6.262 0.000) 6.808 9.588 ( -3.426 12.442 0.000) 12.906 9.888 ( 6.213 -3.720 0.000) 7.241 9.947 ( -0.496 -5.388 0.000) 5.411 10.210 ( 6.416 -3.296 0.000) 7.213 10.297 ( -2.463 4.691 0.000) 5.298 10.733 ( 2.127 5.564 0.000) 5.956 10.814 ( -5.596 15.442 0.000) 16.425 10.885 ( 1.115 17.818 0.000) 17.853 10.947 ( -5.616 18.649 0.000) 19.476 11.155 ( 4.805 0.562 0.000) 4.838 11.262 ( -6.689 0.447 0.000) 6.704 11.545 ( 10.804 10.393 0.000) 14.991 11.704 ( -6.231 8.021 0.000) 10.157 11.859 ( 4.168 -3.141 0.000) 5.219 11.959 ( -7.040 -2.508 0.000) 7.473 12.010 ( 1.323 3.588 0.000) 3.824 12.044 ( -1.923 -2.293 0.000) 2.993 12.420 ( 1.338 -4.887 0.000) 5.067 12.431 ( 0.055 -7.491 0.000) 7.491 13.081 ( 1.517 -15.998 0.000) 16.069 13.082 ( 2.274 -17.849 0.000) 17.994 13.840 ( 1.554 7.466 0.000) 7.626 13.868 ( -1.481 6.564 0.000) 6.729 14.237 ( 0.222 -5.864 0.000) 5.868 14.240 ( -0.222 -5.595 0.000) 5.600 14.776 ( 21.735 6.528 0.000) 22.694 15.240 ( -27.653 6.416 0.000) 28.387 15.293 ( 23.875 -16.293 0.000) 28.904 15.662 ( -16.418 -9.090 0.000) 18.766 16.516 ( 6.484 47.205 0.000) 47.648 16.641 ( -7.001 43.577 0.000) 44.136 17.422 ( 0.069 14.847 0.000) 14.847 17.423 ( -0.062 14.775 0.000) 14.775 18.500 ( 1.467 -14.382 0.000) 14.457 18.524 ( -1.223 -12.294 0.000) 12.355 18.541 ( 3.808 -17.432 0.000) 17.843 18.610 ( -3.511 -16.245 0.000) 16.620 19.246 ( 3.921 3.216 0.000) 5.071 19.302 ( -2.205 3.537 0.000) 4.168 19.487 ( 5.686 -2.911 0.000) 6.388 19.570 ( -3.233 -4.227 0.000) 5.322 21.962 ( 19.054 70.478 0.000) 73.009 22.477 ( -39.036 71.718 0.000) 81.654 24.939 ( 7.812 -26.423 0.000) 27.554 25.106 ( -10.175 -22.300 0.000) 24.512 25.822 ( 10.932 1.376 0.000) 11.019 25.953 ( -4.429 3.832 0.000) 5.857 26.505 ( 7.502 -12.024 0.000) 14.172 26.626 ( -5.544 -10.480 0.000) 11.856 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 11.811 0.000) 11.811 1.245 ( 0.000 13.372 0.000) 13.372 1.300 ( 0.000 -7.854 0.000) 7.854 1.399 ( 0.000 -2.486 0.000) 2.486 1.470 ( 0.000 0.918 0.000) 0.918 1.544 ( 0.000 -7.856 0.000) 7.856 1.662 ( 0.000 1.686 0.000) 1.686 1.695 ( 0.000 -1.900 0.000) 1.900 1.939 ( 0.000 8.883 0.000) 8.883 1.970 ( 0.000 3.737 0.000) 3.737 2.032 ( 0.000 -2.928 0.000) 2.928 2.093 ( 0.000 -7.375 0.000) 7.375 2.292 ( 0.000 18.187 0.000) 18.187 2.476 ( 0.000 2.532 0.000) 2.532 2.483 ( 0.000 -1.667 0.000) 1.667 2.597 ( 0.000 10.450 0.000) 10.450 2.613 ( 0.000 -13.038 0.000) 13.038 2.756 ( 0.000 -6.469 0.000) 6.469 3.642 ( 0.000 37.959 0.000) 37.959 3.919 ( 0.000 22.933 0.000) 22.933 3.956 ( 0.000 16.240 0.000) 16.240 4.068 ( 0.000 -4.043 0.000) 4.043 4.308 ( 0.000 20.232 0.000) 20.232 4.417 ( 0.000 -1.956 0.000) 1.956 4.419 ( 0.000 36.110 0.000) 36.110 4.527 ( 0.000 0.101 0.000) 0.101 4.629 ( 0.000 -17.372 0.000) 17.372 4.672 ( 0.000 -14.167 0.000) 14.167 4.767 ( 0.000 -16.284 0.000) 16.284 4.785 ( 0.000 -1.650 0.000) 1.650 4.890 ( 0.000 0.819 0.000) 0.819 4.897 ( 0.000 -0.042 0.000) 0.042 5.037 ( 0.000 -3.649 0.000) 3.649 5.277 ( 0.000 -16.852 0.000) 16.852 5.384 ( 0.000 10.892 0.000) 10.892 5.534 ( 0.000 -4.437 0.000) 4.437 6.057 ( 0.000 14.879 0.000) 14.879 6.255 ( 0.000 -4.945 0.000) 4.945 6.532 ( 0.000 7.619 0.000) 7.619 6.582 ( 0.000 0.240 0.000) 0.240 6.764 ( 0.000 8.800 0.000) 8.800 6.912 ( 0.000 0.308 0.000) 0.308 7.095 ( 0.000 28.368 0.000) 28.368 7.102 ( 0.000 -14.337 0.000) 14.337 7.123 ( 0.000 -20.670 0.000) 20.670 7.275 ( 0.000 13.283 0.000) 13.283 7.343 ( 0.000 -11.624 0.000) 11.624 7.659 ( 0.000 9.773 0.000) 9.773 7.804 ( 0.000 -16.553 0.000) 16.553 7.863 ( 0.000 -4.410 0.000) 4.410 7.886 ( 0.000 -14.170 0.000) 14.170 8.122 ( 0.000 -17.229 0.000) 17.229 8.508 ( 0.000 7.457 0.000) 7.457 8.764 ( 0.000 -18.039 0.000) 18.039 8.825 ( 0.000 0.553 0.000) 0.553 8.867 ( 0.000 -3.192 0.000) 3.192 9.417 ( 0.000 4.507 0.000) 4.507 9.466 ( 0.000 -0.253 0.000) 0.253 9.529 ( 0.000 1.881 0.000) 1.881 9.548 ( 0.000 -1.230 0.000) 1.230 9.859 ( 0.000 -0.671 0.000) 0.671 9.916 ( 0.000 -6.248 0.000) 6.248 10.058 ( 0.000 20.183 0.000) 20.183 10.352 ( 0.000 -8.843 0.000) 8.843 10.886 ( 0.000 2.635 0.000) 2.635 10.918 ( 0.000 1.182 0.000) 1.182 11.254 ( 0.000 11.308 0.000) 11.308 11.350 ( 0.000 4.193 0.000) 4.193 11.390 ( 0.000 15.091 0.000) 15.091 11.419 ( 0.000 12.629 0.000) 12.629 11.474 ( 0.000 9.965 0.000) 9.965 11.716 ( 0.000 -7.219 0.000) 7.219 11.759 ( 0.000 -15.672 0.000) 15.672 11.784 ( 0.000 -15.788 0.000) 15.788 11.982 ( 0.000 10.539 0.000) 10.539 12.205 ( 0.000 -12.261 0.000) 12.261 12.431 ( 0.000 8.308 0.000) 8.308 12.475 ( 0.000 11.267 0.000) 11.267 12.593 ( 0.000 -8.678 0.000) 8.678 12.744 ( 0.000 -16.030 0.000) 16.030 13.961 ( 0.000 8.074 0.000) 8.074 14.018 ( 0.000 6.466 0.000) 6.466 14.101 ( 0.000 -6.775 0.000) 6.775 14.138 ( 0.000 -6.297 0.000) 6.297 14.497 ( 0.000 3.338 0.000) 3.338 14.560 ( 0.000 -3.320 0.000) 3.320 15.952 ( 0.000 2.996 0.000) 2.996 15.984 ( 0.000 -0.332 0.000) 0.332 17.288 ( 0.000 44.110 0.000) 44.110 17.469 ( 0.000 28.702 0.000) 28.702 17.681 ( 0.000 7.719 0.000) 7.719 17.755 ( 0.000 19.493 0.000) 19.493 17.983 ( 0.000 -30.178 0.000) 30.178 18.134 ( 0.000 -20.436 0.000) 20.436 18.341 ( 0.000 -8.944 0.000) 8.944 18.403 ( 0.000 -13.499 0.000) 13.499 19.197 ( 0.000 3.843 0.000) 3.843 19.276 ( 0.000 -4.274 0.000) 4.274 19.416 ( 0.000 5.016 0.000) 5.016 19.515 ( 0.000 -5.444 0.000) 5.444 22.939 ( 0.000 66.619 0.000) 66.619 24.051 ( 0.000 -50.505 0.000) 50.505 24.583 ( 0.000 25.837 0.000) 25.837 25.030 ( 0.000 -21.187 0.000) 21.187 25.493 ( 0.000 22.876 0.000) 22.876 25.934 ( 0.000 -22.912 0.000) 22.912 26.209 ( 0.000 13.909 0.000) 13.909 26.492 ( 0.000 -14.956 0.000) 14.956 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 11.413 8.829 0.000) 14.430 1.273 ( 3.013 11.709 0.000) 12.090 1.396 ( 7.091 -5.289 0.000) 8.846 1.398 ( -0.005 -1.370 0.000) 1.370 1.478 ( 0.860 0.998 0.000) 1.317 1.557 ( 1.298 -7.742 0.000) 7.850 1.607 ( -5.473 3.207 0.000) 6.343 1.669 ( -2.645 -3.403 0.000) 4.310 1.953 ( 1.495 9.163 0.000) 9.285 2.036 ( 4.712 3.523 0.000) 5.883 2.073 ( 4.800 -0.765 0.000) 4.860 2.111 ( 1.889 -7.547 0.000) 7.780 2.352 ( 8.690 14.343 0.000) 16.770 2.529 ( 6.228 -0.549 0.000) 6.252 2.590 ( 7.967 -0.106 0.000) 7.967 2.604 ( 0.634 9.662 0.000) 9.683 2.661 ( 10.011 -9.834 0.000) 14.033 2.749 ( -0.932 -5.749 0.000) 5.824 3.659 ( 2.190 37.681 0.000) 37.745 3.788 ( -10.410 23.595 0.000) 25.789 3.977 ( -9.392 5.471 0.000) 10.869 4.096 ( 3.323 -4.106 0.000) 5.282 4.204 ( -3.995 26.152 0.000) 26.456 4.234 ( -18.885 2.779 0.000) 19.089 4.402 ( -1.783 33.763 0.000) 33.810 4.514 ( -0.253 -0.681 0.000) 0.726 4.548 ( -7.967 -10.656 0.000) 13.305 4.651 ( -1.784 -13.422 0.000) 13.540 4.793 ( 1.767 -6.566 0.000) 6.800 4.857 ( -3.030 1.940 0.000) 3.598 4.882 ( 8.826 -11.681 0.000) 14.641 4.919 ( 2.975 -5.216 0.000) 6.005 5.071 ( 3.727 -0.500 0.000) 3.760 5.287 ( 1.487 -14.221 0.000) 14.298 5.376 ( -1.457 9.544 0.000) 9.655 5.549 ( -0.328 -7.489 0.000) 7.496 6.163 ( 11.071 12.362 0.000) 16.594 6.328 ( 7.607 -3.160 0.000) 8.237 6.523 ( 1.401 13.307 0.000) 13.381 6.661 ( 5.111 4.908 0.000) 7.086 6.776 ( 1.404 0.666 0.000) 1.554 6.870 ( -4.218 5.803 0.000) 7.174 6.990 ( -10.392 31.342 0.000) 33.020 7.078 ( -3.849 -19.954 0.000) 20.322 7.136 ( 3.487 -19.269 0.000) 19.582 7.181 ( -7.664 4.563 0.000) 8.920 7.286 ( -7.005 -10.640 0.000) 12.739 7.682 ( 2.358 10.363 0.000) 10.628 7.701 ( -11.258 -30.436 0.000) 32.451 7.830 ( -2.022 12.160 0.000) 12.327 7.924 ( 3.777 -14.618 0.000) 15.098 8.127 ( -0.554 -17.774 0.000) 17.783 8.569 ( 5.627 6.489 0.000) 8.589 8.763 ( -4.492 1.623 0.000) 4.776 8.785 ( 1.433 -14.921 0.000) 14.990 8.839 ( -2.954 -5.970 0.000) 6.661 9.452 ( 3.881 6.077 0.000) 7.211 9.521 ( 5.848 -0.235 0.000) 5.853 9.554 ( 3.695 6.802 0.000) 7.741 9.658 ( 8.208 -4.503 0.000) 9.362 9.864 ( 0.516 0.195 0.000) 0.551 9.952 ( 3.602 -7.951 0.000) 8.729 10.003 ( -5.783 18.916 0.000) 19.781 10.303 ( -5.456 -11.285 0.000) 12.535 10.878 ( 1.517 8.778 0.000) 8.908 10.980 ( 4.847 -1.566 0.000) 5.094 11.216 ( -4.334 11.522 0.000) 12.310 11.288 ( -3.903 15.905 0.000) 16.377 11.329 ( -2.370 2.547 0.000) 3.479 11.411 ( -6.414 12.554 0.000) 14.098 11.545 ( 5.406 -1.014 0.000) 5.500 11.687 ( 1.691 0.431 0.000) 1.746 11.731 ( -2.921 -16.777 0.000) 17.029 11.884 ( 7.217 -11.195 0.000) 13.320 11.964 ( -2.081 10.937 0.000) 11.133 12.185 ( -2.734 -10.898 0.000) 11.236 12.409 ( 0.003 12.938 0.000) 12.938 12.478 ( 0.167 11.370 0.000) 11.372 12.670 ( 5.706 -14.453 0.000) 15.539 12.752 ( 0.826 -16.347 0.000) 16.367 13.968 ( 0.665 7.937 0.000) 7.965 14.011 ( -0.695 6.597 0.000) 6.633 14.108 ( 0.582 -6.959 0.000) 6.983 14.134 ( -0.457 -6.414 0.000) 6.430 14.593 ( 11.129 5.097 0.000) 12.241 14.697 ( 14.635 -6.310 0.000) 15.938 15.781 ( -17.898 4.349 0.000) 18.419 15.850 ( -14.360 -2.952 0.000) 14.660 17.309 ( 2.210 42.836 0.000) 42.893 17.456 ( -1.471 30.594 0.000) 30.630 17.681 ( 0.102 8.018 0.000) 8.019 17.730 ( -2.033 14.137 0.000) 14.283 18.042 ( 5.643 -24.445 0.000) 25.088 18.152 ( 1.962 -19.393 0.000) 19.492 18.318 ( -2.366 -10.428 0.000) 10.693 18.367 ( -3.772 -14.200 0.000) 14.692 19.237 ( 3.971 4.050 0.000) 5.672 19.319 ( 4.342 -4.499 0.000) 6.252 19.409 ( -0.843 4.986 0.000) 5.057 19.509 ( -0.881 -5.467 0.000) 5.537 23.009 ( 7.985 66.180 0.000) 66.660 24.104 ( 5.950 -49.413 0.000) 49.769 24.227 ( -30.843 39.642 0.000) 50.228 24.861 ( -16.060 -28.160 0.000) 32.418 25.704 ( 16.335 15.978 0.000) 22.850 26.048 ( 10.300 -19.219 0.000) 21.805 26.187 ( -2.505 13.536 0.000) 13.765 26.465 ( -2.956 -14.874 0.000) 15.165 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 5.514 7.591 0.000) 9.383 1.395 ( 2.477 4.996 0.000) 5.576 1.404 ( 0.632 1.487 0.000) 1.616 1.454 ( -2.845 -0.509 0.000) 2.890 1.495 ( 0.814 1.296 0.000) 1.531 1.510 ( -2.480 4.573 0.000) 5.202 1.585 ( 1.689 -7.356 0.000) 7.548 1.620 ( -2.349 -6.145 0.000) 6.579 1.991 ( 2.577 9.598 0.000) 9.938 2.039 ( -2.329 8.675 0.000) 8.982 2.153 ( 2.243 -7.438 0.000) 7.769 2.166 ( 1.994 -4.826 0.000) 5.221 2.539 ( 7.284 5.918 0.000) 9.385 2.606 ( -1.051 7.437 0.000) 7.510 2.631 ( 5.255 -3.858 0.000) 6.519 2.713 ( -3.281 -4.078 0.000) 5.234 2.894 ( 27.993 8.292 0.000) 29.195 3.037 ( 28.917 -6.739 0.000) 29.691 3.448 ( -28.631 11.214 0.000) 30.748 3.592 ( -28.900 -1.572 0.000) 28.942 3.731 ( 5.867 37.033 0.000) 37.495 3.887 ( -13.214 27.882 0.000) 30.854 4.194 ( 7.383 -6.286 0.000) 9.697 4.256 ( 4.263 16.562 0.000) 17.102 4.355 ( -3.391 31.121 0.000) 31.305 4.378 ( -9.398 2.997 0.000) 9.864 4.538 ( 2.867 -3.911 0.000) 4.849 4.602 ( -3.638 -9.259 0.000) 9.948 4.815 ( 0.453 -2.403 0.000) 2.445 4.820 ( -0.734 1.136 0.000) 1.352 4.979 ( 2.873 -11.133 0.000) 11.498 4.996 ( 2.031 -15.298 0.000) 15.432 5.183 ( 8.361 4.469 0.000) 9.481 5.315 ( -5.458 6.147 0.000) 8.221 5.352 ( 6.001 -10.341 0.000) 11.957 5.481 ( -6.774 -9.757 0.000) 11.878 6.412 ( 14.808 8.048 0.000) 16.853 6.505 ( 11.087 1.954 0.000) 11.258 6.582 ( 2.055 16.082 0.000) 16.213 6.659 ( -4.108 15.556 0.000) 16.090 6.723 ( -8.794 4.715 0.000) 9.978 6.787 ( -10.514 30.459 0.000) 32.223 6.888 ( 8.156 -0.751 0.000) 8.190 7.037 ( 0.654 -19.094 0.000) 19.105 7.043 ( -7.774 0.412 0.000) 7.785 7.124 ( -8.855 -15.520 0.000) 17.868 7.249 ( 9.406 -26.022 0.000) 27.670 7.464 ( -13.559 -29.902 0.000) 32.832 7.734 ( 3.125 12.488 0.000) 12.873 7.788 ( -2.721 14.160 0.000) 14.419 8.006 ( 4.944 -15.523 0.000) 16.291 8.087 ( -3.651 -16.731 0.000) 17.124 8.661 ( 3.676 3.111 0.000) 4.816 8.705 ( -2.028 1.481 0.000) 2.511 8.794 ( -0.324 -9.961 0.000) 9.967 8.796 ( -1.197 -7.653 0.000) 7.746 9.546 ( 5.526 9.683 0.000) 11.149 9.601 ( 0.160 10.676 0.000) 10.677 9.658 ( 8.648 1.648 0.000) 8.803 9.770 ( 1.255 -7.056 0.000) 7.167 9.869 ( -0.428 1.883 0.000) 1.931 9.878 ( -5.480 16.045 0.000) 16.955 10.038 ( 6.016 -11.863 0.000) 13.302 10.171 ( -8.197 -13.810 0.000) 16.060 10.959 ( 7.046 12.006 0.000) 13.921 11.085 ( 6.996 -0.963 0.000) 7.062 11.102 ( -7.821 11.903 0.000) 14.243 11.233 ( -8.585 -2.084 0.000) 8.834 11.265 ( 1.028 15.824 0.000) 15.858 11.307 ( -3.440 18.047 0.000) 18.372 11.601 ( 2.788 -17.454 0.000) 17.675 11.665 ( -3.991 -18.374 0.000) 18.802 11.788 ( 7.108 13.109 0.000) 14.912 11.901 ( -5.005 12.043 0.000) 13.042 12.009 ( 6.330 -8.192 0.000) 10.352 12.111 ( -4.986 -7.362 0.000) 8.892 12.440 ( 2.479 13.045 0.000) 13.278 12.473 ( -0.974 11.980 0.000) 12.019 12.748 ( 2.543 -17.704 0.000) 17.886 12.765 ( 0.284 -17.224 0.000) 17.226 13.981 ( 0.752 7.476 0.000) 7.514 13.996 ( -0.873 6.952 0.000) 7.007 14.116 ( 0.379 -6.931 0.000) 6.941 14.124 ( -0.508 -6.672 0.000) 6.691 14.903 ( 22.618 7.180 0.000) 23.730 15.057 ( 23.803 -9.761 0.000) 25.727 15.363 ( -26.407 6.734 0.000) 27.252 15.498 ( -23.427 -7.941 0.000) 24.737 17.360 ( 3.232 39.412 0.000) 39.544 17.417 ( -2.800 34.860 0.000) 34.972 17.685 ( 0.391 8.709 0.000) 8.718 17.699 ( -1.218 10.142 0.000) 10.215 18.159 ( 6.783 -19.440 0.000) 20.590 18.201 ( 3.318 -16.617 0.000) 16.945 18.263 ( -3.666 -14.251 0.000) 14.715 18.278 ( -5.754 -15.467 0.000) 16.502 19.317 ( 4.341 4.445 0.000) 6.214 19.380 ( -2.511 4.808 0.000) 5.424 19.408 ( 4.778 -4.988 0.000) 6.907 19.477 ( -2.761 -5.374 0.000) 6.042 23.241 ( 18.089 63.550 0.000) 66.074 23.666 ( -28.599 55.415 0.000) 62.359 24.270 ( 12.354 -45.649 0.000) 47.291 24.543 ( -17.399 -38.377 0.000) 42.137 25.959 ( 11.215 12.455 0.000) 16.760 26.112 ( -6.007 12.666 0.000) 14.018 26.237 ( 9.650 -15.839 0.000) 18.547 26.382 ( -6.304 -14.876 0.000) 16.156 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 0.000 22.213) 22.213 0.530 ( 0.000 0.000 24.580) 24.580 0.880 ( 0.000 0.000 44.421) 44.421 1.120 ( 0.000 0.000 3.263) 3.263 1.436 ( 0.000 0.000 0.685) 0.685 1.512 ( 0.000 0.000 -1.201) 1.201 1.533 ( 0.000 0.000 -0.498) 0.498 1.537 ( 0.000 0.000 -0.728) 0.728 1.608 ( 0.000 0.000 -8.045) 8.045 1.645 ( 0.000 0.000 1.933) 1.933 1.811 ( 0.000 0.000 0.063) 0.063 1.910 ( 0.000 0.000 1.952) 1.952 1.938 ( 0.000 0.000 0.166) 0.166 1.959 ( 0.000 0.000 -1.821) 1.821 2.051 ( 0.000 0.000 -1.786) 1.786 2.155 ( 0.000 0.000 -3.763) 3.763 2.333 ( 0.000 0.000 2.384) 2.384 2.367 ( 0.000 0.000 4.024) 4.024 2.538 ( 0.000 0.000 2.507) 2.507 2.741 ( 0.000 0.000 -11.816) 11.816 3.213 ( 0.000 0.000 12.558) 12.558 3.478 ( 0.000 0.000 10.669) 10.669 3.695 ( 0.000 0.000 -6.450) 6.450 3.910 ( 0.000 0.000 -11.043) 11.043 3.936 ( 0.000 0.000 -5.378) 5.378 4.487 ( 0.000 0.000 5.217) 5.217 4.565 ( 0.000 0.000 -9.771) 9.771 4.700 ( 0.000 0.000 -1.575) 1.575 4.740 ( 0.000 0.000 -4.812) 4.812 4.917 ( 0.000 0.000 -7.276) 7.276 4.977 ( 0.000 0.000 -3.823) 3.823 5.048 ( 0.000 0.000 -0.319) 0.319 5.449 ( 0.000 0.000 7.643) 7.643 5.458 ( 0.000 0.000 9.198) 9.198 5.491 ( 0.000 0.000 -3.724) 3.724 5.583 ( 0.000 0.000 11.649) 11.649 5.597 ( 0.000 0.000 -0.584) 0.584 5.720 ( 0.000 0.000 2.148) 2.148 6.018 ( 0.000 0.000 -2.347) 2.347 6.126 ( 0.000 0.000 -1.430) 1.430 6.349 ( 0.000 0.000 4.370) 4.370 6.788 ( 0.000 0.000 -16.324) 16.324 7.080 ( 0.000 0.000 -2.041) 2.041 7.115 ( 0.000 0.000 0.333) 0.333 7.197 ( 0.000 0.000 3.967) 3.967 7.373 ( 0.000 0.000 0.267) 0.267 7.558 ( 0.000 0.000 1.304) 1.304 7.816 ( 0.000 0.000 2.270) 2.270 7.970 ( 0.000 0.000 13.087) 13.087 8.190 ( 0.000 0.000 -0.627) 0.627 8.457 ( 0.000 0.000 -5.147) 5.147 8.480 ( 0.000 0.000 -16.543) 16.543 8.751 ( 0.000 0.000 -2.300) 2.300 8.768 ( 0.000 0.000 7.313) 7.313 8.788 ( 0.000 0.000 -2.404) 2.404 9.031 ( 0.000 0.000 9.302) 9.302 9.037 ( 0.000 0.000 0.307) 0.307 9.221 ( 0.000 0.000 2.526) 2.526 9.400 ( 0.000 0.000 -7.350) 7.350 9.400 ( 0.000 0.000 -5.386) 5.386 9.698 ( 0.000 0.000 4.450) 4.450 9.884 ( 0.000 0.000 -3.668) 3.668 10.158 ( 0.000 0.000 2.531) 2.531 10.208 ( 0.000 0.000 12.581) 12.581 10.311 ( 0.000 0.000 -16.377) 16.377 10.400 ( 0.000 0.000 7.737) 7.737 10.436 ( 0.000 0.000 -8.955) 8.955 10.854 ( 0.000 0.000 8.160) 8.160 11.024 ( 0.000 0.000 2.369) 2.369 11.304 ( 0.000 0.000 -6.642) 6.642 11.436 ( 0.000 0.000 -3.775) 3.775 11.663 ( 0.000 0.000 -10.239) 10.239 11.745 ( 0.000 0.000 9.266) 9.266 12.215 ( 0.000 0.000 -10.954) 10.954 12.298 ( 0.000 0.000 -3.927) 3.927 12.434 ( 0.000 0.000 1.969) 1.969 12.614 ( 0.000 0.000 -0.480) 0.480 12.973 ( 0.000 0.000 6.894) 6.894 13.231 ( 0.000 0.000 3.470) 3.470 13.584 ( 0.000 0.000 0.541) 0.541 13.767 ( 0.000 0.000 -0.335) 0.335 14.191 ( 0.000 0.000 0.258) 0.258 14.297 ( 0.000 0.000 -3.560) 3.560 14.342 ( 0.000 0.000 -3.144) 3.144 14.668 ( 0.000 0.000 6.660) 6.660 14.820 ( 0.000 0.000 13.574) 13.574 15.208 ( 0.000 0.000 1.987) 1.987 15.587 ( 0.000 0.000 -2.516) 2.516 15.730 ( 0.000 0.000 -1.695) 1.695 16.033 ( 0.000 0.000 -1.281) 1.281 16.221 ( 0.000 0.000 -0.418) 0.418 17.153 ( 0.000 0.000 3.150) 3.150 17.157 ( 0.000 0.000 5.097) 5.097 18.696 ( 0.000 0.000 -17.681) 17.681 18.798 ( 0.000 0.000 1.433) 1.433 18.841 ( 0.000 0.000 3.127) 3.127 18.909 ( 0.000 0.000 -9.720) 9.720 18.954 ( 0.000 0.000 -43.965) 43.965 18.998 ( 0.000 0.000 -4.003) 4.003 19.272 ( 0.000 0.000 0.299) 0.299 21.212 ( 0.000 0.000 49.544) 49.544 23.208 ( 0.000 0.000 3.926) 3.926 24.740 ( 0.000 0.000 -6.064) 6.064 25.337 ( 0.000 0.000 4.838) 4.838 25.692 ( 0.000 0.000 5.446) 5.446 25.807 ( 0.000 0.000 -16.268) 16.268 26.572 ( 0.000 0.000 -2.907) 2.907 26.851 ( 0.000 0.000 -2.593) 2.593 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 15.237 0.000 13.938) 20.650 0.651 ( 10.959 0.000 16.974) 20.205 1.089 ( -3.391 0.000 3.664) 4.992 1.161 ( 25.683 0.000 28.989) 38.729 1.425 ( -8.653 0.000 -4.568) 9.785 1.444 ( 0.904 0.000 0.631) 1.103 1.527 ( -1.163 0.000 -0.337) 1.211 1.540 ( 0.323 0.000 0.980) 1.032 1.560 ( -0.656 0.000 0.802) 1.036 1.718 ( 3.784 0.000 -0.632) 3.836 1.899 ( -1.344 0.000 2.251) 2.622 1.911 ( 6.135 0.000 0.032) 6.135 1.926 ( -0.671 0.000 -0.869) 1.098 1.965 ( 0.526 0.000 -1.746) 1.824 2.125 ( 9.918 0.000 -0.607) 9.937 2.189 ( 4.649 0.000 -3.079) 5.577 2.333 ( 0.777 0.000 0.542) 0.948 2.409 ( 4.390 0.000 5.449) 6.997 2.666 ( 11.504 0.000 4.729) 12.439 2.742 ( 1.591 0.000 -11.843) 11.949 2.792 ( -33.373 0.000 27.346) 43.146 3.194 ( -1.349 0.000 11.122) 11.203 3.586 ( 11.371 0.000 8.475) 14.182 3.632 ( -22.696 0.000 -5.163) 23.276 4.116 ( 3.654 0.000 -3.955) 5.385 4.350 ( -21.581 0.000 -5.394) 22.245 4.606 ( -10.752 0.000 -0.186) 10.754 4.626 ( 10.980 0.000 -0.093) 10.980 4.704 ( -4.636 0.000 -3.000) 5.522 4.928 ( 1.155 0.000 -1.144) 1.626 5.089 ( 1.304 0.000 0.670) 1.466 5.174 ( -4.107 0.000 5.095) 6.544 5.369 ( 0.021 0.000 -0.723) 0.723 5.423 ( 8.721 0.000 -3.257) 9.309 5.560 ( 11.075 0.000 1.756) 11.213 5.639 ( 4.807 0.000 2.916) 5.622 5.831 ( 11.608 0.000 0.557) 11.621 5.902 ( -3.165 0.000 -4.404) 5.423 6.100 ( 3.592 0.000 -2.980) 4.667 6.252 ( -3.054 0.000 5.461) 6.257 6.629 ( -15.270 0.000 -7.212) 16.887 6.810 ( 25.443 0.000 -24.992) 35.664 7.008 ( -0.753 0.000 -4.276) 4.342 7.201 ( 16.088 0.000 -16.430) 22.995 7.229 ( -2.496 0.000 -1.149) 2.748 7.237 ( -0.107 0.000 2.000) 2.003 7.555 ( -0.831 0.000 2.220) 2.370 7.894 ( 5.176 0.000 -1.105) 5.293 8.134 ( 15.517 0.000 9.803) 18.355 8.198 ( 1.083 0.000 -2.584) 2.802 8.496 ( 3.750 0.000 -3.849) 5.373 8.503 ( 1.796 0.000 -14.472) 14.583 8.707 ( -7.981 0.000 -0.722) 8.014 8.747 ( -0.059 0.000 -1.544) 1.545 8.755 ( -1.806 0.000 8.336) 8.530 8.961 ( -5.353 0.000 -5.341) 7.562 9.004 ( -3.267 0.000 8.764) 9.354 9.116 ( -9.934 0.000 -10.917) 14.760 9.422 ( 2.960 0.000 -1.502) 3.319 9.558 ( 10.656 0.000 -3.055) 11.085 9.663 ( -2.017 0.000 5.069) 5.456 9.884 ( 0.429 0.000 -2.506) 2.542 10.103 ( -4.909 0.000 0.322) 4.919 10.195 ( -8.431 0.000 -4.109) 9.379 10.244 ( 4.294 0.000 10.286) 11.146 10.487 ( 5.419 0.000 2.024) 5.785 10.533 ( 9.327 0.000 -8.506) 12.623 10.898 ( 3.411 0.000 6.960) 7.751 10.963 ( -4.138 0.000 2.151) 4.663 11.261 ( -4.917 0.000 -5.831) 7.627 11.421 ( -1.131 0.000 -5.044) 5.170 11.618 ( -4.449 0.000 -7.786) 8.967 11.749 ( 1.170 0.000 8.103) 8.187 12.112 ( -11.495 0.000 2.382) 11.739 12.306 ( 1.195 0.000 2.507) 2.777 12.466 ( 2.915 0.000 -0.404) 2.942 12.492 ( -15.229 0.000 24.775) 29.081 12.617 ( -2.593 0.000 1.755) 3.131 13.368 ( 6.501 0.000 0.399) 6.513 13.606 ( 2.578 0.000 0.770) 2.691 13.769 ( -0.315 0.000 1.316) 1.353 13.827 ( -14.971 0.000 15.981) 21.898 14.279 ( 10.186 0.000 -1.315) 10.270 14.333 ( 0.547 0.000 -2.150) 2.219 14.391 ( -0.983 0.000 1.435) 1.740 15.239 ( 3.308 0.000 1.697) 3.718 15.440 ( -15.442 0.000 -2.920) 15.715 15.659 ( -9.002 0.000 -1.526) 9.130 16.032 ( 1.850 0.000 0.074) 1.852 16.207 ( -1.611 0.000 -0.284) 1.636 16.783 ( 92.896 0.000 -78.215) 121.438 17.155 ( 0.292 0.000 3.482) 3.494 17.165 ( 0.517 0.000 4.921) 4.948 18.710 ( 0.910 0.000 -21.918) 21.936 18.788 ( -0.734 0.000 0.101) 0.741 18.822 ( -1.170 0.000 0.856) 1.449 18.868 ( -8.910 0.000 -40.647) 41.612 18.893 ( -2.016 0.000 -10.721) 10.909 19.066 ( 5.795 0.000 -1.414) 5.965 19.264 ( -0.918 0.000 0.408) 1.005 21.218 ( 0.982 0.000 51.021) 51.030 22.180 ( -58.039 0.000 64.905) 87.070 25.363 ( 2.809 0.000 4.954) 5.695 25.390 ( 29.669 0.000 -36.437) 46.988 25.647 ( -4.634 0.000 5.424) 7.134 25.803 ( -0.555 0.000 -17.089) 17.098 26.611 ( 3.912 0.000 -2.877) 4.856 26.833 ( -1.968 0.000 -2.648) 3.299 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 9.963 0.000 8.813) 13.302 0.921 ( 15.221 0.000 4.781) 15.954 0.999 ( -6.592 0.000 5.104) 8.338 1.187 ( -13.670 0.000 -2.018) 13.818 1.467 ( 1.594 0.000 0.437) 1.653 1.499 ( -1.797 0.000 0.109) 1.800 1.524 ( 3.790 0.000 3.796) 5.364 1.542 ( -0.144 0.000 1.301) 1.309 1.626 ( 10.297 0.000 12.222) 15.981 1.741 ( -2.237 0.000 6.895) 7.249 1.891 ( 1.305 0.000 -1.713) 2.154 1.916 ( -0.843 0.000 -1.366) 1.606 1.965 ( 1.124 0.000 -1.189) 1.636 1.972 ( 0.118 0.000 -1.593) 1.597 2.312 ( 6.513 0.000 0.383) 6.524 2.330 ( 8.345 0.000 3.504) 9.051 2.355 ( 0.676 0.000 -0.500) 0.840 2.469 ( -8.892 0.000 14.084) 16.656 2.600 ( 20.700 0.000 4.499) 21.183 2.785 ( 6.275 0.000 0.658) 6.309 2.868 ( 1.612 0.000 3.635) 3.977 3.121 ( -31.795 0.000 0.002) 31.795 3.292 ( 18.201 0.000 0.289) 18.204 3.719 ( -14.978 0.000 -6.587) 16.363 4.018 ( 4.498 0.000 9.386) 10.408 4.254 ( 11.544 0.000 -0.238) 11.547 4.326 ( -19.135 0.000 3.960) 19.541 4.495 ( -13.679 0.000 -1.114) 13.724 4.848 ( 8.812 0.000 -1.530) 8.944 4.945 ( -1.640 0.000 -1.088) 1.968 5.075 ( 1.275 0.000 0.833) 1.523 5.128 ( -2.627 0.000 2.104) 3.365 5.455 ( 8.158 0.000 -1.738) 8.341 5.610 ( -7.073 0.000 0.732) 7.111 5.627 ( 12.166 0.000 -4.165) 12.860 5.780 ( 12.848 0.000 1.602) 12.948 5.804 ( -7.275 0.000 -3.818) 8.216 6.014 ( -11.530 0.000 -0.105) 11.530 6.087 ( 15.245 0.000 -1.384) 15.307 6.323 ( 11.335 0.000 3.460) 11.852 6.354 ( -14.494 0.000 -2.576) 14.722 6.615 ( -19.807 0.000 2.534) 19.968 7.043 ( 3.814 0.000 -4.643) 6.009 7.135 ( -6.110 0.000 -2.821) 6.730 7.346 ( 7.230 0.000 2.462) 7.638 7.448 ( -3.143 0.000 1.575) 3.516 7.765 ( 19.957 0.000 -23.257) 30.646 7.942 ( -1.106 0.000 -7.974) 8.051 8.239 ( 4.887 0.000 -3.858) 6.227 8.405 ( 11.522 0.000 0.804) 11.550 8.427 ( -13.367 0.000 -0.535) 13.378 8.513 ( -1.529 0.000 -9.220) 9.345 8.667 ( 6.468 0.000 1.580) 6.658 8.735 ( -0.199 0.000 2.745) 2.752 8.778 ( 4.543 0.000 2.481) 5.176 8.888 ( -3.024 0.000 -11.278) 11.676 8.904 ( -7.580 0.000 7.501) 10.664 8.934 ( -8.595 0.000 -17.156) 19.188 9.463 ( 3.328 0.000 7.535) 8.237 9.551 ( -5.482 0.000 5.460) 7.737 9.825 ( 12.848 0.000 -4.490) 13.610 9.918 ( 3.616 0.000 -1.580) 3.947 10.005 ( -5.544 0.000 -1.174) 5.667 10.031 ( -9.973 0.000 -3.393) 10.534 10.368 ( 8.506 0.000 8.025) 11.694 10.503 ( -4.630 0.000 7.388) 8.719 10.731 ( 11.538 0.000 -7.219) 13.611 10.897 ( -5.107 0.000 -0.529) 5.134 10.975 ( 6.247 0.000 -3.746) 7.284 11.130 ( -9.037 0.000 -4.979) 10.318 11.433 ( 3.237 0.000 -3.948) 5.105 11.522 ( -5.742 0.000 -3.546) 6.748 11.803 ( 4.812 0.000 7.712) 9.090 11.921 ( -8.354 0.000 10.401) 13.340 12.335 ( 1.774 0.000 8.268) 8.456 12.371 ( -2.598 0.000 11.290) 11.585 12.526 ( 3.319 0.000 -0.274) 3.330 12.578 ( -2.451 0.000 -0.272) 2.466 13.491 ( 7.556 0.000 3.903) 8.505 13.639 ( -8.649 0.000 8.382) 12.045 13.672 ( 4.235 0.000 1.762) 4.587 13.740 ( -2.905 0.000 2.476) 3.817 14.349 ( 1.182 0.000 -1.211) 1.692 14.372 ( -1.220 0.000 0.158) 1.231 14.572 ( 22.090 0.000 -2.961) 22.287 15.034 ( -26.636 0.000 -3.707) 26.893 15.335 ( 6.544 0.000 1.564) 6.729 15.480 ( -9.306 0.000 0.613) 9.326 16.095 ( 4.128 0.000 0.173) 4.132 16.163 ( -3.207 0.000 -0.068) 3.208 17.162 ( 0.484 0.000 4.015) 4.044 17.169 ( -0.125 0.000 4.661) 4.663 17.958 ( 44.027 0.000 -71.742) 84.174 18.540 ( -22.441 0.000 -58.409) 62.571 18.786 ( 0.565 0.000 -1.312) 1.428 18.791 ( 2.417 0.000 -10.999) 11.261 18.802 ( -1.065 0.000 -0.726) 1.289 18.847 ( -3.101 0.000 -10.451) 10.901 19.167 ( 4.865 0.000 0.155) 4.867 19.234 ( -2.582 0.000 0.518) 2.634 21.270 ( 5.941 0.000 56.178) 56.491 21.495 ( -21.542 0.000 65.493) 68.945 25.436 ( 5.240 0.000 5.192) 7.376 25.544 ( -6.280 0.000 5.361) 8.257 25.693 ( 8.294 0.000 -26.646) 27.907 25.779 ( -2.421 0.000 -19.983) 20.129 26.696 ( 5.037 0.000 -2.832) 5.779 26.779 ( -3.923 0.000 -2.756) 4.794 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 16.297 13.972) 21.467 0.743 ( 0.000 15.495 17.961) 23.721 1.316 ( 0.000 35.365 23.402) 42.406 1.334 ( 0.000 10.194 1.774) 10.347 1.434 ( 0.000 -1.031 -3.725) 3.865 1.510 ( 0.000 -1.849 0.726) 1.986 1.525 ( 0.000 4.891 -3.627) 6.089 1.651 ( 0.000 2.673 3.185) 4.158 1.791 ( 0.000 -3.836 -0.534) 3.873 1.821 ( 0.000 -4.105 -1.439) 4.350 1.838 ( 0.000 2.931 -0.311) 2.948 1.970 ( 0.000 20.441 -1.009) 20.466 2.239 ( 0.000 17.073 -1.638) 17.151 2.290 ( 0.000 25.888 -0.669) 25.897 2.296 ( 0.000 33.019 -2.722) 33.131 2.340 ( 0.000 16.414 0.882) 16.437 2.395 ( 0.000 37.373 2.106) 37.432 2.408 ( 0.000 5.355 5.936) 7.994 2.482 ( 0.000 -2.596 19.194) 19.369 2.545 ( 0.000 2.888 1.947) 3.483 2.729 ( 0.000 -0.962 -11.192) 11.233 3.172 ( 0.000 -4.183 12.268) 12.962 3.860 ( 0.000 3.116 -9.253) 9.763 3.965 ( 0.000 2.978 -4.875) 5.713 4.484 ( 0.000 2.283 -0.954) 2.474 4.507 ( 0.000 -5.205 -10.463) 11.686 4.674 ( 0.000 1.753 -7.045) 7.260 4.770 ( 0.000 2.384 -4.066) 4.714 4.890 ( 0.000 7.296 -7.259) 10.292 4.933 ( 0.000 0.657 -5.163) 5.204 5.029 ( 0.000 4.720 -3.211) 5.709 5.101 ( 0.000 5.564 -3.647) 6.652 5.268 ( 0.000 -8.410 9.138) 12.419 5.313 ( 0.000 -10.137 -1.285) 10.218 5.587 ( 0.000 -1.035 8.757) 8.818 5.620 ( 0.000 -0.289 3.750) 3.761 5.676 ( 0.000 9.328 5.832) 11.001 6.101 ( 0.000 7.355 -2.174) 7.670 6.117 ( 0.000 4.915 0.471) 4.937 6.338 ( 0.000 3.970 5.439) 6.733 6.782 ( 0.000 -2.846 -5.639) 6.317 6.887 ( 0.000 2.883 -12.419) 12.749 7.048 ( 0.000 -7.325 -2.026) 7.600 7.099 ( 0.000 -1.079 -1.021) 1.486 7.172 ( 0.000 30.222 -30.537) 42.964 7.499 ( 0.000 5.980 1.902) 6.275 7.554 ( 0.000 -0.570 -0.721) 0.919 7.696 ( 0.000 -13.312 7.528) 15.293 7.956 ( 0.000 11.488 -8.734) 14.431 8.224 ( 0.000 -7.898 -17.119) 18.853 8.534 ( 0.000 -3.256 -7.670) 8.333 8.536 ( 0.000 10.145 -3.584) 10.760 8.693 ( 0.000 -8.964 -1.557) 9.099 8.708 ( 0.000 2.867 1.063) 3.057 8.750 ( 0.000 -6.279 -2.058) 6.608 8.985 ( 0.000 3.038 8.998) 9.497 9.188 ( 0.000 14.577 -6.131) 15.813 9.273 ( 0.000 4.747 3.616) 5.967 9.334 ( 0.000 -5.829 -3.047) 6.577 9.521 ( 0.000 -11.322 3.323) 11.799 9.710 ( 0.000 15.679 -3.975) 16.175 9.967 ( 0.000 1.484 -6.288) 6.461 10.231 ( 0.000 9.634 3.814) 10.361 10.241 ( 0.000 9.587 5.405) 11.006 10.365 ( 0.000 -0.834 6.067) 6.124 10.447 ( 0.000 12.204 -14.469) 18.928 10.581 ( 0.000 13.491 -7.543) 15.456 10.932 ( 0.000 6.749 5.783) 8.888 11.005 ( 0.000 -0.893 0.457) 1.003 11.247 ( 0.000 -4.789 -3.428) 5.889 11.423 ( 0.000 -1.097 -1.838) 2.141 11.677 ( 0.000 1.716 -8.916) 9.079 11.784 ( 0.000 3.135 5.274) 6.135 12.161 ( 0.000 -5.685 -10.875) 12.272 12.223 ( 0.000 -7.409 -2.899) 7.956 12.404 ( 0.000 -2.881 1.644) 3.317 12.569 ( 0.000 -4.481 0.214) 4.486 12.927 ( 0.000 -4.485 6.886) 8.218 13.008 ( 0.000 -21.928 23.632) 32.238 13.499 ( 0.000 -29.454 27.220) 40.106 13.657 ( 0.000 6.857 0.314) 6.864 13.821 ( 0.000 1.898 2.260) 2.951 14.270 ( 0.000 -2.867 -3.515) 4.536 14.289 ( 0.000 -0.284 0.765) 0.816 14.415 ( 0.000 -0.454 2.127) 2.175 14.801 ( 0.000 -2.021 13.076) 13.231 15.560 ( 0.000 35.328 2.033) 35.386 15.701 ( 0.000 8.962 -3.807) 9.737 15.829 ( 0.000 7.402 -0.040) 7.402 16.234 ( 0.000 23.227 1.729) 23.292 17.218 ( 0.000 6.805 3.362) 7.590 17.220 ( 0.000 7.079 1.918) 7.334 17.842 ( 0.000 65.614 -67.609) 94.213 18.658 ( 0.000 -5.950 -10.023) 11.656 18.723 ( 0.000 -7.518 0.246) 7.522 18.808 ( 0.000 -8.801 -8.665) 12.350 18.840 ( 0.000 2.719 -2.903) 3.977 19.040 ( 0.000 2.646 -4.798) 5.479 19.088 ( 0.000 10.986 -42.925) 44.309 19.281 ( 0.000 0.917 -0.442) 1.018 21.414 ( 0.000 22.360 46.214) 51.339 23.469 ( 0.000 23.689 -8.084) 25.031 24.815 ( 0.000 8.108 -6.021) 10.099 25.232 ( 0.000 -11.706 5.339) 12.866 25.611 ( 0.000 -7.854 2.771) 8.329 25.827 ( 0.000 1.916 -12.593) 12.738 26.502 ( 0.000 -7.725 -2.960) 8.273 26.819 ( 0.000 -3.931 -2.839) 4.848 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 10.951 13.028 9.220) 19.356 0.910 ( 13.538 15.498 10.934) 23.303 1.289 ( -4.087 10.598 2.599) 11.652 1.394 ( -5.962 3.112 -5.305) 8.566 1.450 ( 10.865 21.354 16.148) 28.893 1.504 ( 1.428 0.654 1.757) 2.357 1.541 ( 2.883 5.193 2.585) 6.478 1.667 ( 1.568 3.671 4.124) 5.739 1.792 ( 0.152 -4.040 -1.163) 4.207 1.820 ( -0.050 -4.380 -1.633) 4.675 1.980 ( 11.415 7.033 0.715) 13.427 2.000 ( 6.253 22.364 0.695) 23.232 2.252 ( 1.296 17.496 -1.897) 17.647 2.296 ( 0.565 31.615 -1.021) 31.636 2.314 ( 2.018 24.189 -1.041) 24.296 2.345 ( 1.177 21.405 -0.247) 21.439 2.367 ( -1.974 30.466 1.682) 30.576 2.444 ( 3.000 -0.460 9.612) 10.079 2.481 ( 0.395 6.663 11.806) 13.562 2.668 ( 11.048 1.341 4.221) 11.903 2.739 ( 2.829 0.260 -10.669) 11.041 3.153 ( -1.312 -4.088 10.940) 11.753 3.642 ( -20.995 4.807 -6.554) 22.513 3.931 ( -1.718 7.517 0.066) 7.711 4.287 ( -21.883 -1.441 -9.121) 23.751 4.470 ( -10.387 11.343 -9.422) 18.037 4.623 ( -9.024 1.560 -2.095) 9.394 4.667 ( 7.899 5.235 2.071) 9.700 4.728 ( -6.805 3.143 -3.100) 8.112 4.940 ( 0.080 0.904 -1.600) 1.839 5.119 ( 0.497 2.929 1.731) 3.438 5.135 ( -2.982 -1.094 2.667) 4.148 5.308 ( 6.159 -5.269 2.468) 8.473 5.391 ( 12.471 -9.064 -3.990) 15.925 5.584 ( 2.172 1.614 -0.568) 2.765 5.708 ( 2.557 3.290 3.813) 5.648 5.823 ( 13.535 4.121 4.656) 14.895 5.979 ( -7.949 6.022 -1.257) 10.052 6.121 ( 0.379 4.701 -3.386) 5.806 6.298 ( -2.933 4.379 6.136) 8.089 6.569 ( -14.490 -4.333 0.962) 15.155 6.894 ( -7.902 -0.530 -7.880) 11.173 7.046 ( -1.828 0.559 -4.733) 5.105 7.141 ( 4.958 -5.337 -0.036) 7.285 7.328 ( 4.720 6.871 -0.832) 8.377 7.530 ( 1.302 2.347 -1.879) 3.276 7.589 ( 12.436 7.526 -13.139) 19.594 7.781 ( 8.161 -14.135 2.107) 16.457 7.986 ( 2.165 3.727 -5.514) 6.999 8.261 ( 3.332 -5.933 -13.603) 15.210 8.499 ( -5.705 9.516 -7.369) 13.320 8.532 ( -2.837 -7.913 -2.401) 8.742 8.648 ( 3.109 -3.453 -2.098) 5.098 8.694 ( -3.303 -4.502 -1.008) 5.674 8.751 ( -0.219 0.996 -2.013) 2.257 8.966 ( -2.445 4.965 4.887) 7.384 9.087 ( -6.136 8.054 -9.253) 13.716 9.288 ( -1.950 6.104 2.296) 6.807 9.398 ( 3.077 -1.167 2.956) 4.424 9.484 ( -0.414 -5.696 -1.691) 5.956 9.792 ( 6.729 13.225 -2.292) 15.015 9.937 ( -1.844 0.339 -2.259) 2.936 10.151 ( -3.933 10.406 2.714) 11.451 10.269 ( 0.213 6.720 4.693) 8.200 10.338 ( -1.321 8.356 -3.427) 9.128 10.495 ( 3.676 4.178 -3.761) 6.717 10.678 ( 7.456 12.814 -6.245) 16.087 10.905 ( -3.550 1.176 4.596) 5.925 10.992 ( 1.009 3.511 1.929) 4.131 11.240 ( -1.405 -1.438 -4.268) 4.718 11.404 ( -1.258 -1.998 -1.301) 2.695 11.622 ( -5.148 1.706 -8.108) 9.754 11.793 ( 1.177 3.086 3.904) 5.114 12.101 ( -7.138 -2.116 -5.036) 8.988 12.239 ( 1.619 -6.653 2.775) 7.388 12.425 ( 0.215 -4.080 -0.833) 4.170 12.456 ( -13.550 -2.508 28.130) 31.324 12.571 ( -2.125 -4.646 2.164) 5.548 13.257 ( 7.596 -11.230 0.757) 13.579 13.534 ( 0.107 -21.085 15.077) 25.921 13.681 ( 2.194 5.878 1.456) 6.440 13.809 ( -0.896 3.430 1.445) 3.828 14.292 ( 1.816 -3.083 -2.457) 4.340 14.318 ( 3.147 -1.374 0.730) 3.511 14.408 ( 3.398 4.297 0.503) 5.501 15.288 ( 30.567 -25.668 6.029) 40.368 15.530 ( -17.442 7.927 -3.995) 19.571 15.630 ( 8.300 29.453 1.988) 30.665 15.798 ( -3.131 8.967 0.820) 9.533 16.191 ( -3.976 20.285 2.615) 20.836 17.217 ( 0.118 6.922 2.084) 7.230 17.226 ( 0.352 6.915 3.021) 7.555 18.012 ( 17.067 50.096 -64.456) 83.399 18.669 ( 0.940 -7.572 -9.212) 11.962 18.713 ( -1.163 -6.426 -2.408) 6.960 18.798 ( -0.936 -6.427 -10.142) 12.044 18.825 ( -1.106 1.813 -5.585) 5.976 19.028 ( -4.920 11.708 -38.721) 40.751 19.104 ( 4.321 4.047 -7.361) 9.446 19.275 ( -0.751 1.053 -0.460) 1.373 21.431 ( 2.311 23.671 47.033) 52.704 22.610 ( -57.333 40.422 34.708) 78.267 25.251 ( 5.352 -11.017 1.655) 12.360 25.330 ( 25.625 -4.048 -20.405) 33.006 25.564 ( -4.774 -8.407 3.278) 10.209 25.815 ( -1.419 1.316 -14.034) 14.167 26.547 ( 4.507 -7.040 -2.890) 8.845 26.798 ( -2.255 -4.132 -2.853) 5.505 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 13.185 8.538 2.687) 15.936 1.091 ( 7.269 15.731 6.126) 18.380 1.196 ( -6.530 8.344 2.068) 10.795 1.227 ( -10.907 9.807 -1.072) 14.707 1.505 ( 1.113 0.850 1.072) 1.763 1.521 ( -0.499 0.633 1.234) 1.474 1.677 ( 3.783 10.619 10.486) 15.396 1.694 ( 0.872 6.114 6.720) 9.127 1.804 ( 0.987 -4.262 -2.636) 5.108 1.817 ( -0.406 -4.083 -2.122) 4.620 2.153 ( 8.490 29.438 0.943) 30.653 2.182 ( 6.474 32.178 2.486) 32.917 2.266 ( -0.509 24.783 1.015) 24.809 2.286 ( -1.879 39.549 1.184) 39.611 2.342 ( 1.608 12.748 0.489) 12.858 2.362 ( 0.409 9.641 -0.494) 9.662 2.401 ( 3.886 11.664 2.577) 12.561 2.449 ( -1.531 2.925 10.043) 10.572 2.628 ( 19.035 5.332 0.666) 19.779 2.789 ( 6.097 0.615 2.947) 6.800 2.878 ( 1.985 2.005 3.343) 4.375 3.156 ( -27.625 4.823 -1.621) 28.089 3.269 ( 17.441 -2.203 0.871) 17.601 3.763 ( -28.921 0.449 -6.331) 29.609 4.049 ( 9.895 3.613 3.761) 11.186 4.300 ( -12.815 2.343 -1.424) 13.105 4.474 ( -0.712 11.311 -0.222) 11.335 4.578 ( -8.810 6.242 -1.828) 10.951 4.842 ( 8.193 0.086 -1.102) 8.267 4.937 ( -2.083 -0.873 -0.919) 2.438 5.081 ( 0.864 1.258 1.425) 2.088 5.124 ( -1.933 0.482 1.423) 2.448 5.479 ( 10.293 -0.756 -1.648) 10.451 5.574 ( 4.795 -5.960 -2.013) 7.910 5.655 ( 2.905 -5.757 -1.404) 6.600 5.708 ( -0.564 -2.652 -0.046) 2.712 5.840 ( -0.444 8.206 -0.021) 8.218 6.000 ( -10.867 1.527 -2.800) 11.326 6.131 ( 12.423 6.708 0.734) 14.137 6.309 ( -3.608 4.010 1.464) 5.589 6.387 ( 3.107 0.826 4.632) 5.638 6.631 ( -17.213 -0.070 -0.617) 17.224 7.072 ( 3.316 2.257 -3.746) 5.488 7.144 ( -3.874 -0.194 -1.103) 4.033 7.402 ( 6.052 4.670 3.355) 8.348 7.497 ( -3.727 3.000 2.876) 5.582 7.873 ( 10.944 -11.726 -2.452) 16.226 7.938 ( 7.073 -11.148 -7.398) 15.134 8.009 ( 3.493 -10.940 -0.451) 11.493 8.221 ( -11.593 -6.727 -3.940) 13.970 8.416 ( 2.933 -1.560 -3.965) 5.173 8.492 ( -3.517 1.274 -7.768) 8.622 8.668 ( 1.024 -1.172 -5.047) 5.281 8.706 ( -1.690 6.166 -1.107) 6.489 8.762 ( 5.340 -0.401 -8.333) 9.906 8.875 ( -6.607 3.666 -7.701) 10.789 9.058 ( 3.215 6.881 -1.014) 7.662 9.177 ( -8.293 7.576 0.624) 11.250 9.446 ( 2.805 0.344 3.867) 4.790 9.487 ( -1.084 -2.712 0.201) 2.927 9.906 ( 4.734 10.309 -0.965) 11.385 9.934 ( 0.713 4.324 1.177) 4.538 10.124 ( 1.537 10.362 -0.938) 10.517 10.204 ( -5.857 10.384 -1.135) 11.976 10.396 ( 6.506 4.499 -0.619) 7.934 10.507 ( -3.801 1.240 1.837) 4.400 10.780 ( 4.786 6.463 -1.444) 8.170 10.858 ( -2.631 -1.068 1.380) 3.157 11.051 ( 5.579 5.818 -3.195) 8.670 11.169 ( -6.245 3.566 -4.638) 8.557 11.425 ( 3.903 -1.042 -2.143) 4.573 11.519 ( -5.852 1.308 -5.558) 8.176 11.841 ( 4.352 2.951 3.232) 6.172 11.951 ( -7.739 2.416 3.747) 8.932 12.271 ( 1.811 -6.161 8.611) 10.742 12.310 ( -3.142 -5.578 13.319) 14.778 12.485 ( 3.214 -3.957 0.934) 5.182 12.536 ( -2.323 -4.172 0.635) 4.817 13.377 ( 6.414 -11.239 3.729) 13.468 13.484 ( -4.969 -14.164 8.085) 17.049 13.730 ( 3.179 5.432 1.673) 6.512 13.783 ( -2.269 4.186 2.099) 5.203 14.314 ( 1.129 -3.458 -1.199) 3.830 14.333 ( -0.799 -3.725 0.296) 3.821 14.643 ( 21.102 6.659 -1.678) 22.191 15.100 ( -27.164 6.183 -2.899) 28.009 15.576 ( 7.724 10.181 1.675) 12.888 15.693 ( -5.480 14.662 -0.016) 15.652 15.918 ( 14.149 -1.544 4.301) 14.869 16.099 ( -6.705 8.912 3.416) 11.664 17.222 ( 0.374 6.826 2.277) 7.206 17.228 ( -0.145 6.758 2.846) 7.334 18.363 ( 19.187 21.511 -50.113) 57.812 18.626 ( -8.338 -3.046 -19.669) 21.579 18.713 ( 1.929 -5.915 -8.861) 10.828 18.760 ( -3.041 -7.246 -10.286) 12.945 18.832 ( 2.171 7.609 -14.083) 16.154 18.908 ( -6.451 14.709 -32.035) 35.836 19.189 ( 4.282 2.105 -1.729) 5.075 19.249 ( -2.273 1.421 -0.726) 2.777 21.527 ( 9.530 28.298 49.329) 57.663 21.842 ( -27.810 36.699 50.286) 68.182 25.335 ( 5.650 -10.959 4.948) 13.286 25.450 ( -6.666 -9.867 4.699) 12.801 25.654 ( 10.268 -2.624 -21.465) 23.939 25.771 ( -3.776 -0.233 -17.048) 17.462 26.644 ( 5.701 -5.790 -2.875) 8.619 26.738 ( -4.425 -4.761 -2.883) 7.110 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 15.027 7.719) 16.894 1.040 ( 0.000 15.313 9.897) 18.233 1.406 ( 0.000 0.724 0.396) 0.825 1.422 ( 0.000 -0.600 -2.100) 2.184 1.455 ( 0.000 -3.202 1.542) 3.555 1.595 ( 0.000 1.500 -2.928) 3.290 1.702 ( 0.000 -4.246 0.638) 4.294 1.705 ( 0.000 -1.705 -2.624) 3.129 1.774 ( 0.000 6.256 -0.050) 6.256 1.868 ( 0.000 9.102 2.342) 9.398 1.949 ( 0.000 16.042 3.548) 16.429 2.047 ( 0.000 -1.092 -2.632) 2.849 2.221 ( 0.000 -3.847 1.087) 3.997 2.432 ( 0.000 4.419 3.154) 5.429 2.500 ( 0.000 8.381 8.428) 11.886 2.514 ( 0.000 -0.608 1.137) 1.289 2.659 ( 0.000 -4.159 -8.376) 9.351 2.918 ( 0.000 39.398 4.168) 39.618 3.045 ( 0.000 -4.962 12.370) 13.328 3.253 ( 0.000 44.381 0.173) 44.381 3.305 ( 0.000 48.860 -0.634) 48.865 3.390 ( 0.000 57.700 -0.808) 57.705 3.955 ( 0.000 7.557 -8.707) 11.529 4.039 ( 0.000 4.765 -3.884) 6.148 4.398 ( 0.000 -5.998 -10.979) 12.511 4.482 ( 0.000 -2.691 -6.953) 7.456 4.699 ( 0.000 1.516 -3.012) 3.372 4.806 ( 0.000 0.712 -2.893) 2.979 4.875 ( 0.000 -8.017 -1.335) 8.127 4.928 ( 0.000 -1.666 2.749) 3.214 5.021 ( 0.000 -12.194 -1.047) 12.239 5.119 ( 0.000 0.165 5.910) 5.912 5.155 ( 0.000 -1.321 -0.552) 1.432 5.294 ( 0.000 5.616 -5.466) 7.837 5.380 ( 0.000 -16.363 2.015) 16.486 5.607 ( 0.000 -1.473 2.258) 2.696 5.865 ( 0.000 12.705 8.850) 15.484 6.229 ( 0.000 5.278 -1.798) 5.576 6.428 ( 0.000 6.453 5.338) 8.375 6.466 ( 0.000 28.619 -0.588) 28.625 6.671 ( 0.000 -6.479 4.483) 7.879 6.771 ( 0.000 -5.907 0.220) 5.911 6.954 ( 0.000 -4.284 -3.362) 5.446 7.126 ( 0.000 3.940 -3.050) 4.982 7.286 ( 0.000 -8.308 -7.698) 11.326 7.492 ( 0.000 -7.950 4.627) 9.199 7.514 ( 0.000 -4.338 -3.375) 5.496 7.571 ( 0.000 0.463 3.058) 3.093 7.849 ( 0.000 -8.738 2.920) 9.213 8.128 ( 0.000 -11.362 -3.867) 12.002 8.339 ( 0.000 -19.346 2.322) 19.485 8.394 ( 0.000 -14.234 -4.014) 14.790 8.549 ( 0.000 -10.016 0.634) 10.036 8.810 ( 0.000 -1.310 -2.718) 3.018 8.811 ( 0.000 13.412 -30.924) 33.707 9.019 ( 0.000 2.622 4.846) 5.510 9.141 ( 0.000 -15.189 1.932) 15.311 9.369 ( 0.000 4.875 4.255) 6.471 9.431 ( 0.000 -0.218 -1.114) 1.135 9.518 ( 0.000 14.233 -4.838) 15.033 9.762 ( 0.000 0.511 5.945) 5.967 10.002 ( 0.000 3.847 -1.711) 4.211 10.281 ( 0.000 -2.435 19.590) 19.740 10.422 ( 0.000 7.990 7.750) 11.131 10.656 ( 0.000 7.106 -16.880) 18.315 10.662 ( 0.000 20.185 -13.384) 24.219 10.895 ( 0.000 18.992 -5.923) 19.895 11.054 ( 0.000 7.952 -4.347) 9.062 11.069 ( 0.000 8.239 -0.522) 8.255 11.218 ( 0.000 4.384 2.092) 4.858 11.399 ( 0.000 -1.558 -3.409) 3.748 11.719 ( 0.000 1.359 -9.537) 9.634 11.804 ( 0.000 -2.574 0.327) 2.594 12.009 ( 0.000 -9.248 -6.792) 11.474 12.047 ( 0.000 -11.095 -3.151) 11.533 12.339 ( 0.000 -5.077 -1.112) 5.197 12.485 ( 0.000 -1.817 4.867) 5.195 12.689 ( 0.000 -9.635 27.670) 29.300 12.823 ( 0.000 -6.178 7.584) 9.782 13.134 ( 0.000 -15.925 11.062) 19.390 13.808 ( 0.000 8.719 0.288) 8.723 13.894 ( 0.000 4.853 -0.362) 4.866 14.196 ( 0.000 -4.781 -3.250) 5.781 14.239 ( 0.000 -4.984 2.123) 5.417 14.465 ( 0.000 4.888 3.017) 5.744 14.748 ( 0.000 -3.618 11.926) 12.463 15.837 ( 0.000 5.851 -3.921) 7.043 15.944 ( 0.000 3.816 -0.366) 3.833 16.395 ( 0.000 49.409 1.635) 49.436 16.861 ( 0.000 39.760 5.234) 40.103 17.409 ( 0.000 12.891 -0.784) 12.915 17.412 ( 0.000 13.141 -1.216) 13.197 18.268 ( 0.000 -8.373 -18.395) 20.211 18.512 ( 0.000 -15.167 3.222) 15.506 18.531 ( 0.000 -6.750 -3.682) 7.689 18.604 ( 0.000 -12.690 -7.361) 14.670 19.017 ( 0.000 13.074 -22.143) 25.715 19.085 ( 0.000 2.274 -5.135) 5.616 19.239 ( 0.000 4.557 -30.706) 31.043 19.303 ( 0.000 1.312 -3.041) 3.312 22.084 ( 0.000 49.062 33.239) 59.261 23.987 ( 0.000 30.287 -8.019) 31.331 24.868 ( 0.000 -27.906 6.968) 28.763 25.052 ( 0.000 16.996 -5.413) 17.837 25.404 ( 0.000 -14.650 2.835) 14.921 25.903 ( 0.000 7.289 -10.912) 13.122 26.277 ( 0.000 -16.425 -3.044) 16.705 26.686 ( 0.000 -10.615 -4.044) 11.359 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 7.255 13.963 3.972) 16.228 1.163 ( 11.898 12.029 8.797) 19.069 1.374 ( -2.736 2.255 -0.674) 3.609 1.443 ( 0.651 0.444 -1.567) 1.754 1.493 ( 2.199 -1.335 1.989) 3.251 1.565 ( -3.244 2.714 0.482) 4.257 1.685 ( 0.352 -4.047 -1.527) 4.339 1.721 ( 0.411 -4.945 -1.184) 5.101 1.789 ( 1.580 6.951 0.607) 7.154 1.906 ( 1.033 14.564 4.899) 15.400 2.041 ( 9.947 2.253 -0.383) 10.206 2.135 ( 12.640 3.446 -1.119) 13.149 2.235 ( 2.533 -3.100 0.676) 4.060 2.476 ( 3.926 5.804 4.103) 8.120 2.514 ( 1.835 6.119 5.139) 8.198 2.630 ( 10.374 -0.234 3.295) 10.888 2.669 ( 3.000 -1.065 -7.211) 7.883 2.933 ( 1.273 35.762 4.284) 36.041 3.033 ( -0.108 -0.317 10.684) 10.689 3.153 ( -6.770 38.920 0.259) 39.505 3.369 ( 3.088 54.234 -0.874) 54.329 3.401 ( 1.264 56.305 -0.586) 56.322 3.773 ( -18.773 9.286 -5.927) 21.766 4.049 ( 1.481 6.172 -2.139) 6.698 4.216 ( -19.970 -4.871 -8.477) 22.235 4.496 ( 0.013 -3.673 -8.283) 9.061 4.628 ( -10.903 -1.060 -3.560) 11.518 4.742 ( -3.565 1.880 -1.461) 4.287 4.798 ( -1.361 1.207 -0.587) 1.911 4.918 ( -0.860 -3.725 0.835) 3.913 5.073 ( 4.690 -9.769 -0.602) 10.853 5.136 ( 0.510 -2.957 5.297) 6.087 5.243 ( 6.434 -5.685 -1.108) 8.657 5.283 ( 2.767 2.948 -2.631) 4.824 5.406 ( 1.606 -13.952 -0.470) 14.052 5.664 ( 2.990 -3.657 1.666) 5.009 5.996 ( 12.923 11.487 5.554) 18.160 6.238 ( -0.604 7.400 -3.159) 8.069 6.341 ( -9.135 27.140 -0.346) 28.638 6.397 ( -2.550 6.556 5.565) 8.970 6.552 ( -5.915 3.641 2.982) 7.559 6.858 ( -9.436 -2.063 -1.966) 9.856 6.948 ( 9.922 -9.097 1.362) 13.530 7.112 ( -1.174 1.250 -2.230) 2.813 7.355 ( 5.253 -7.060 -1.991) 9.022 7.444 ( 0.011 -9.241 0.076) 9.241 7.548 ( 2.298 -5.998 0.286) 6.430 7.614 ( 2.795 -3.040 1.181) 4.296 7.800 ( -5.800 -10.286 4.836) 12.761 8.131 ( -0.693 -13.863 -3.476) 14.308 8.256 ( -6.565 -19.454 2.750) 20.715 8.428 ( -0.997 -15.542 -2.611) 15.792 8.564 ( 4.723 -4.810 -0.998) 6.815 8.792 ( -1.152 -0.299 0.800) 1.434 8.821 ( 1.284 10.787 -24.733) 27.013 9.040 ( 1.110 -2.962 1.203) 3.384 9.121 ( -1.196 -3.204 -1.247) 3.640 9.348 ( -5.456 9.509 -1.804) 11.111 9.404 ( 3.077 3.000 2.053) 4.762 9.584 ( 2.736 7.647 -5.712) 9.929 9.823 ( 6.175 -2.463 7.529) 10.044 10.008 ( 1.849 5.335 -0.526) 5.671 10.288 ( -0.452 -2.030 14.392) 14.541 10.397 ( -2.351 7.321 5.401) 9.396 10.589 ( -4.069 11.422 -12.308) 17.277 10.682 ( -0.591 15.907 -13.367) 20.786 10.919 ( 2.395 14.038 -0.758) 14.261 11.032 ( -2.195 9.894 -3.132) 10.607 11.084 ( 1.253 7.865 -1.128) 8.044 11.276 ( 5.481 7.755 -2.032) 9.711 11.358 ( -3.326 -2.655 -2.635) 5.005 11.684 ( -3.246 3.417 -8.947) 10.113 11.805 ( 0.707 -3.076 -1.635) 3.555 11.982 ( -2.897 -9.707 -6.176) 11.865 12.086 ( 3.269 -9.900 -0.818) 10.458 12.336 ( -1.481 -6.274 -2.171) 6.803 12.458 ( -10.748 3.567 26.339) 28.671 12.483 ( -0.364 -1.617 5.036) 5.302 12.998 ( 8.225 -14.702 3.896) 17.291 13.176 ( 2.867 -17.017 11.679) 20.838 13.822 ( 1.448 8.331 0.635) 8.479 13.893 ( -0.197 5.218 0.313) 5.231 14.211 ( 1.138 -5.161 -2.492) 5.843 14.245 ( 0.391 -5.532 1.525) 5.752 14.525 ( 8.124 7.055 2.781) 11.113 14.961 ( 20.533 -11.144 10.568) 25.641 15.662 ( -18.386 6.495 -2.815) 19.702 15.884 ( -6.714 0.569 0.656) 6.770 16.434 ( 4.158 48.661 1.692) 48.868 16.805 ( -5.713 40.510 4.749) 41.186 17.408 ( -0.026 13.055 -1.263) 13.116 17.415 ( 0.172 12.636 -0.617) 12.652 18.305 ( 3.754 -9.833 -16.783) 19.810 18.502 ( -2.301 -8.923 -5.785) 10.880 18.519 ( 0.668 -14.739 2.220) 14.920 18.604 ( -0.715 -12.383 -4.867) 13.324 19.029 ( 2.202 13.153 -23.550) 27.064 19.134 ( 3.820 3.260 -7.509) 9.034 19.233 ( -0.683 5.347 -29.348) 29.839 19.299 ( -0.503 1.397 -3.311) 3.629 22.133 ( 5.875 50.658 32.648) 60.553 23.453 ( -42.730 45.898 7.856) 63.200 24.903 ( 3.837 -27.291 6.891) 28.408 25.318 ( -3.192 -13.000 2.980) 13.714 25.374 ( 17.129 4.222 -11.786) 21.217 25.881 ( -2.357 6.900 -11.783) 13.857 26.343 ( 6.379 -14.761 -3.092) 16.375 26.662 ( -2.671 -10.779 -3.981) 11.797 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 8.101 10.068 1.262) 12.984 1.300 ( -4.261 5.937 -0.913) 7.365 1.325 ( 4.160 8.867 4.644) 10.840 1.407 ( -4.374 6.209 1.887) 7.826 1.510 ( 0.546 0.072 1.732) 1.818 1.524 ( -0.952 -0.277 2.031) 2.260 1.707 ( 1.247 -5.468 -1.348) 5.768 1.721 ( -0.381 -5.334 -0.964) 5.434 1.828 ( 2.626 8.076 1.861) 8.694 1.879 ( -2.785 9.926 3.050) 10.750 2.226 ( 6.297 -1.546 0.761) 6.529 2.258 ( 1.638 -4.087 -0.625) 4.447 2.451 ( 10.863 6.109 2.646) 12.741 2.512 ( 0.361 6.736 5.536) 8.726 2.627 ( 11.344 3.851 -3.012) 12.353 2.748 ( 3.969 2.047 4.104) 6.065 2.828 ( 10.135 7.209 3.890) 13.031 2.963 ( 4.802 31.067 2.812) 31.561 3.035 ( -5.924 32.016 0.867) 32.571 3.186 ( 16.866 5.685 0.397) 17.803 3.315 ( -21.926 18.659 1.238) 28.817 3.419 ( 2.135 55.128 -1.345) 55.186 3.428 ( -2.755 48.683 -0.613) 48.764 3.732 ( -30.298 -2.012 -4.677) 30.723 4.136 ( 8.280 5.043 -1.433) 9.800 4.340 ( -13.357 1.646 -3.589) 13.929 4.564 ( 2.521 -1.323 -5.057) 5.803 4.642 ( -5.637 0.246 -3.813) 6.810 4.854 ( 3.990 -0.466 -0.292) 4.028 4.903 ( -1.416 -3.510 0.300) 3.796 5.118 ( 1.328 -0.049 -0.006) 1.329 5.138 ( -0.349 -0.452 0.602) 0.830 5.348 ( 4.775 -12.841 -0.461) 13.707 5.401 ( 0.623 -16.611 0.161) 16.624 5.444 ( 9.658 -3.242 -1.538) 10.303 5.629 ( -7.358 -5.956 -0.068) 9.466 6.173 ( -2.299 20.230 -1.285) 20.401 6.186 ( -0.956 20.464 -0.499) 20.493 6.318 ( 12.111 11.546 1.347) 16.787 6.413 ( 4.456 3.987 3.532) 6.944 6.467 ( -4.105 10.457 1.677) 11.359 6.627 ( -14.949 1.127 -0.532) 15.001 7.070 ( 3.020 -4.954 0.572) 5.830 7.095 ( -0.701 -3.458 0.140) 3.531 7.416 ( 6.286 -12.136 2.292) 13.858 7.540 ( 2.173 -2.286 0.124) 3.156 7.573 ( -1.439 -17.110 2.945) 17.421 7.613 ( -4.163 -0.958 2.768) 5.090 7.744 ( 7.779 -15.826 2.089) 17.758 7.974 ( -13.817 -20.681 1.541) 24.920 8.262 ( 4.975 -12.701 -1.470) 13.720 8.359 ( -5.204 -13.109 -1.244) 14.159 8.683 ( 6.249 -4.064 -1.843) 7.679 8.762 ( -2.592 -3.461 0.474) 4.350 8.877 ( 4.874 5.562 -11.127) 13.360 8.982 ( -5.981 -3.903 -0.994) 7.211 9.168 ( 4.870 11.890 -6.158) 14.249 9.256 ( -4.799 13.313 -4.404) 14.821 9.473 ( 4.548 3.522 -0.255) 5.758 9.562 ( -4.373 6.167 -3.453) 8.311 9.969 ( 8.492 -2.070 6.031) 10.620 10.050 ( 0.523 2.754 3.295) 4.326 10.272 ( 0.099 -1.078 4.334) 4.467 10.323 ( -5.228 0.485 0.762) 5.305 10.563 ( 1.739 13.777 -8.459) 16.260 10.631 ( -4.556 15.341 -9.550) 18.636 10.964 ( 2.476 13.475 1.813) 13.820 11.001 ( -1.417 15.420 1.299) 15.539 11.124 ( 3.910 0.948 -1.799) 4.407 11.226 ( -6.633 0.386 -3.086) 7.326 11.455 ( 9.332 7.435 -5.699) 13.223 11.602 ( -6.273 7.324 -8.281) 12.711 11.842 ( 3.218 -5.223 -2.942) 6.804 11.912 ( -4.347 -8.868 -4.597) 10.894 12.145 ( 3.588 -7.157 3.813) 8.868 12.232 ( -6.373 -3.130 7.815) 10.559 12.424 ( 2.444 0.489 9.841) 10.152 12.466 ( -1.714 -0.683 6.156) 6.427 13.115 ( 5.273 -15.755 4.401) 17.187 13.185 ( -2.028 -16.761 8.039) 18.699 13.853 ( 1.821 7.281 1.213) 7.603 13.882 ( -1.138 6.044 1.332) 6.293 14.230 ( 0.935 -5.386 -0.916) 5.543 14.244 ( -0.531 -5.690 0.555) 5.742 14.789 ( 20.866 8.447 1.305) 22.549 15.235 ( -26.445 7.840 -0.620) 27.590 15.365 ( 21.572 -14.940 7.111) 27.187 15.695 ( -14.416 -7.826 3.444) 16.761 16.538 ( 7.069 46.257 2.216) 46.846 16.677 ( -7.916 42.908 3.463) 43.770 17.410 ( 0.245 12.665 -1.054) 12.711 17.414 ( -0.196 12.503 -0.646) 12.521 18.385 ( 4.543 -12.226 -12.971) 18.394 18.455 ( -3.071 -11.878 -8.934) 15.177 18.539 ( 1.527 -13.262 0.260) 13.352 18.574 ( -2.191 -12.495 -2.425) 12.915 19.094 ( 4.405 12.468 -27.149) 30.198 19.161 ( -2.030 8.340 -24.401) 25.867 19.240 ( 2.248 3.123 -11.302) 11.939 19.280 ( -1.703 1.739 -4.725) 5.315 22.323 ( 16.174 54.436 30.101) 64.272 22.752 ( -31.901 55.799 23.002) 68.267 25.006 ( 7.458 -25.282 6.510) 27.151 25.163 ( -9.509 -21.696 5.594) 24.340 25.667 ( 11.685 5.436 -14.472) 19.379 25.814 ( -5.394 6.108 -13.239) 15.546 26.472 ( 7.271 -12.594 -3.413) 14.938 26.589 ( -5.360 -11.351 -3.771) 13.107 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 10.922 5.111) 12.059 1.289 ( 0.000 10.540 4.312) 11.388 1.336 ( 0.000 -7.194 3.751) 8.113 1.399 ( 0.000 -1.826 0.061) 1.827 1.454 ( 0.000 2.114 -1.250) 2.456 1.547 ( 0.000 -6.817 0.355) 6.826 1.646 ( 0.000 0.511 -1.414) 1.503 1.669 ( 0.000 -1.642 -2.326) 2.848 1.927 ( 0.000 8.112 -1.164) 8.195 1.949 ( 0.000 3.151 -1.717) 3.588 2.012 ( 0.000 -2.122 -1.886) 2.839 2.078 ( 0.000 -5.785 -1.550) 5.989 2.292 ( 0.000 12.406 -0.394) 12.413 2.473 ( 0.000 -5.287 -3.137) 6.148 2.499 ( 0.000 2.741 2.148) 3.482 2.559 ( 0.000 -4.996 -1.301) 5.163 2.698 ( 0.000 11.531 9.250) 14.783 2.896 ( 0.000 -9.415 10.990) 14.472 3.666 ( 0.000 36.038 1.962) 36.091 3.909 ( 0.000 19.879 -1.359) 19.926 3.926 ( 0.000 14.090 -3.306) 14.473 4.045 ( 0.000 -1.115 -2.634) 2.860 4.220 ( 0.000 20.608 -7.034) 21.775 4.304 ( 0.000 6.921 -7.405) 10.136 4.373 ( 0.000 20.924 -6.966) 22.053 4.425 ( 0.000 -1.335 -8.671) 8.773 4.617 ( 0.000 -12.401 -1.185) 12.458 4.680 ( 0.000 -3.917 3.431) 5.207 4.721 ( 0.000 -16.047 -3.068) 16.337 4.828 ( 0.000 -1.030 4.626) 4.739 4.915 ( 0.000 -6.092 -1.414) 6.254 4.934 ( 0.000 -3.125 1.024) 3.289 5.126 ( 0.000 0.123 7.744) 7.745 5.262 ( 0.000 -10.648 -1.113) 10.706 5.393 ( 0.000 9.826 1.309) 9.913 5.544 ( 0.000 -5.514 0.746) 5.564 6.126 ( 0.000 13.587 6.559) 15.088 6.277 ( 0.000 -1.357 1.575) 2.079 6.564 ( 0.000 4.759 3.535) 5.928 6.587 ( 0.000 -2.259 0.382) 2.291 6.721 ( 0.000 3.568 -3.604) 5.072 6.865 ( 0.000 -2.200 -5.829) 6.230 6.966 ( 0.000 7.625 -2.707) 8.092 7.074 ( 0.000 -10.274 -1.898) 10.447 7.272 ( 0.000 20.532 3.375) 20.808 7.338 ( 0.000 -2.657 8.997) 9.381 7.397 ( 0.000 -6.452 3.293) 7.244 7.655 ( 0.000 8.321 -0.596) 8.342 7.778 ( 0.000 -12.008 -2.679) 12.303 7.872 ( 0.000 -19.856 0.651) 19.867 7.924 ( 0.000 -5.323 4.295) 6.840 8.103 ( 0.000 -15.481 -1.765) 15.581 8.503 ( 0.000 5.619 -0.437) 5.636 8.697 ( 0.000 -11.257 -3.937) 11.926 8.899 ( 0.000 -1.066 -1.529) 1.864 8.909 ( 0.000 -5.292 4.554) 6.982 9.166 ( 0.000 10.730 -14.942) 18.396 9.343 ( 0.000 -7.499 -11.505) 13.733 9.470 ( 0.000 4.398 5.326) 6.907 9.551 ( 0.000 -4.099 4.493) 6.082 9.965 ( 0.000 12.990 -1.842) 13.120 10.064 ( 0.000 1.031 8.216) 8.280 10.260 ( 0.000 1.865 18.957) 19.049 10.397 ( 0.000 -9.409 4.155) 10.286 10.800 ( 0.000 8.863 -6.680) 11.098 10.876 ( 0.000 2.597 -4.065) 4.824 11.179 ( 0.000 9.642 -6.145) 11.434 11.252 ( 0.000 6.683 -7.574) 10.101 11.306 ( 0.000 15.993 -8.310) 18.023 11.382 ( 0.000 3.557 -7.491) 8.292 11.400 ( 0.000 10.852 -0.798) 10.881 11.604 ( 0.000 -13.265 -10.101) 16.674 11.682 ( 0.000 -7.691 -3.356) 8.391 11.788 ( 0.000 -14.321 -4.640) 15.054 11.995 ( 0.000 6.974 -0.165) 6.976 12.178 ( 0.000 -10.766 -2.266) 11.001 12.569 ( 0.000 8.719 6.967) 11.161 12.618 ( 0.000 0.494 15.036) 15.044 12.718 ( 0.000 -3.722 11.462) 12.051 12.847 ( 0.000 -14.350 10.070) 17.531 13.970 ( 0.000 8.363 0.770) 8.398 13.991 ( 0.000 5.378 -1.451) 5.570 14.099 ( 0.000 -5.424 -2.688) 6.053 14.122 ( 0.000 -7.173 1.207) 7.274 14.568 ( 0.000 5.633 6.977) 8.967 14.667 ( 0.000 -4.909 10.010) 11.149 15.925 ( 0.000 3.612 -2.487) 4.386 15.968 ( 0.000 -0.815 -1.201) 1.452 17.261 ( 0.000 39.803 -1.433) 39.829 17.556 ( 0.000 29.679 6.856) 30.461 17.624 ( 0.000 5.358 -4.849) 7.226 17.697 ( 0.000 18.128 -5.214) 18.863 17.947 ( 0.000 -22.043 -6.861) 23.086 18.141 ( 0.000 -23.827 3.436) 24.074 18.369 ( 0.000 -8.727 2.521) 9.084 18.373 ( 0.000 -9.676 -2.911) 10.104 19.127 ( 0.000 2.219 -6.867) 7.216 19.150 ( 0.000 1.058 -11.325) 11.374 19.301 ( 0.000 2.581 -19.804) 19.971 19.321 ( 0.000 0.326 -8.799) 8.805 23.139 ( 0.000 59.450 18.608) 62.294 24.162 ( 0.000 -47.488 10.705) 48.679 24.555 ( 0.000 29.423 -2.147) 29.501 25.051 ( 0.000 -22.986 2.132) 23.084 25.444 ( 0.000 23.855 -4.764) 24.326 25.898 ( 0.000 -23.398 -3.562) 23.667 26.117 ( 0.000 15.176 -9.114) 17.702 26.427 ( 0.000 -16.420 -6.471) 17.649 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.20 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.214 9.558 1.256) 10.960 1.355 ( 6.767 7.425 5.832) 11.617 1.384 ( 2.167 -2.405 0.323) 3.253 1.432 ( 2.980 -0.749 1.468) 3.405 1.473 ( 2.312 0.587 0.652) 2.473 1.561 ( 1.556 -6.659 0.485) 6.856 1.614 ( -3.323 1.455 0.384) 3.647 1.654 ( -1.426 -2.638 -1.303) 3.269 1.944 ( 2.023 8.592 -1.101) 8.896 2.034 ( 6.690 1.899 -0.148) 6.956 2.060 ( 5.706 -0.077 -1.052) 5.802 2.101 ( 2.279 -6.390 -1.354) 6.918 2.330 ( 7.320 10.790 -1.948) 13.183 2.502 ( 3.299 -5.650 -4.513) 7.948 2.582 ( 5.655 1.648 -0.327) 5.900 2.614 ( 9.065 -1.320 2.151) 9.410 2.725 ( 3.298 8.778 8.699) 12.791 2.891 ( -0.103 -8.348 10.481) 13.400 3.680 ( 1.423 35.240 1.457) 35.299 3.761 ( -11.217 21.017 -2.539) 23.958 3.926 ( -10.636 4.025 -4.979) 12.415 4.060 ( 2.507 -0.113 -3.668) 4.444 4.172 ( -14.861 6.436 -5.111) 16.982 4.187 ( 0.564 23.728 -1.726) 23.798 4.348 ( -1.315 26.050 -4.729) 26.508 4.423 ( 0.357 -1.473 -6.470) 6.645 4.547 ( -7.330 -7.521 -1.802) 10.655 4.659 ( -2.976 -6.843 1.140) 7.549 4.759 ( 1.695 -10.834 -3.231) 11.432 4.830 ( 1.520 0.872 -0.200) 1.764 4.902 ( 0.240 -4.294 -0.374) 4.317 4.974 ( 4.244 -10.399 3.271) 11.698 5.115 ( 1.138 1.397 4.879) 5.201 5.264 ( 1.044 -9.774 -1.652) 9.967 5.397 ( -0.697 7.649 1.758) 7.879 5.559 ( -0.438 -7.796 0.566) 7.828 6.215 ( 8.947 10.457 4.691) 14.539 6.331 ( 5.726 0.143 0.273) 5.734 6.538 ( 1.217 10.543 1.394) 10.704 6.664 ( 1.847 8.615 -0.840) 8.851 6.730 ( 0.323 -3.742 -3.746) 5.305 6.852 ( -1.151 2.743 -2.468) 3.865 6.916 ( -3.099 7.653 0.633) 8.280 7.094 ( 2.327 -15.735 -2.634) 16.122 7.182 ( -7.686 15.002 3.767) 17.272 7.268 ( -6.049 -3.401 7.870) 10.493 7.366 ( -4.268 -10.535 6.184) 12.940 7.673 ( 0.783 3.298 -0.958) 3.522 7.719 ( -7.641 -21.613 1.492) 22.973 7.832 ( -1.990 5.256 -0.100) 5.621 7.926 ( 1.742 -11.657 0.578) 11.800 8.115 ( -0.215 -16.814 -1.028) 16.846 8.566 ( 6.106 5.951 -0.384) 8.535 8.728 ( 2.031 -6.797 -1.804) 7.319 8.851 ( -3.739 -4.864 4.389) 7.543 8.867 ( -3.019 -4.631 0.055) 5.529 9.261 ( 8.601 10.537 -15.057) 20.291 9.402 ( 5.645 -3.623 -10.640) 12.578 9.494 ( 2.468 5.305 4.252) 7.233 9.593 ( 4.089 -5.103 1.148) 6.639 9.947 ( -1.625 12.398 0.440) 12.512 10.069 ( 0.364 0.123 7.455) 7.465 10.242 ( -2.648 -0.440 16.380) 16.598 10.345 ( -5.847 -9.319 3.498) 11.544 10.803 ( 1.072 11.257 -6.241) 12.916 10.906 ( 2.875 2.657 -6.060) 7.215 11.133 ( -5.580 6.759 -7.516) 11.546 11.202 ( -0.910 9.479 -6.042) 11.278 11.305 ( -2.847 3.897 -3.725) 6.097 11.346 ( -1.762 12.083 -4.944) 13.174 11.496 ( 7.977 8.031 -3.684) 11.904 11.611 ( 1.103 -8.148 -6.390) 10.413 11.673 ( -0.745 -8.669 -5.488) 10.287 11.841 ( 4.634 -12.665 -4.567) 14.238 11.961 ( -3.580 6.666 -1.067) 7.641 12.159 ( -2.592 -11.563 -3.091) 12.246 12.543 ( -0.938 8.231 10.459) 13.342 12.618 ( -0.994 11.467 13.245) 17.547 12.743 ( 3.430 -12.272 6.671) 14.383 12.875 ( 1.582 -15.242 10.728) 18.706 13.978 ( 0.746 8.126 0.704) 8.191 13.996 ( 0.420 5.759 -0.630) 5.808 14.107 ( 0.733 -5.796 -1.897) 6.142 14.125 ( 0.209 -7.168 1.148) 7.262 14.659 ( 10.507 7.154 6.498) 14.276 14.795 ( 13.701 -7.609 9.440) 18.296 15.772 ( -16.291 5.175 -0.966) 17.120 15.852 ( -12.556 -3.343 0.434) 13.000 17.285 ( 2.531 38.720 -1.499) 38.832 17.511 ( -4.163 29.533 3.556) 30.036 17.632 ( 0.438 6.602 -3.626) 7.545 17.672 ( -1.977 12.819 -5.407) 14.052 18.004 ( 5.453 -16.811 -6.182) 18.723 18.164 ( 2.380 -22.248 3.471) 22.643 18.319 ( -4.193 -8.171 -2.270) 9.460 18.359 ( -2.388 -12.003 1.401) 12.318 19.157 ( 3.116 2.971 -9.078) 10.047 19.187 ( 3.470 0.460 -10.566) 11.131 19.298 ( -0.464 2.464 -18.716) 18.883 19.318 ( -0.436 0.295 -9.294) 9.309 23.201 ( 7.112 59.247 17.905) 62.301 24.210 ( 4.175 -42.862 9.966) 44.203 24.261 ( -24.729 35.713 3.588) 43.587 24.900 ( -14.349 -28.703 3.912) 32.328 25.629 ( 14.769 18.491 -7.302) 24.766 25.999 ( 8.697 -17.953 -5.020) 20.571 26.099 ( -1.724 12.718 -8.608) 15.454 26.401 ( -2.849 -16.387 -6.379) 17.814 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.40 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.329 7.112 -0.079) 8.326 1.394 ( -0.695 3.433 -0.169) 3.507 1.435 ( 0.614 0.419 1.408) 1.592 1.453 ( 0.214 0.700 0.911) 1.168 1.511 ( 1.602 1.337 2.163) 3.006 1.550 ( -2.965 3.565 2.886) 5.462 1.597 ( 2.012 -5.888 1.164) 6.330 1.628 ( -1.485 -4.589 0.683) 4.871 1.992 ( 3.085 8.981 -0.288) 9.500 2.047 ( -2.517 7.970 0.382) 8.367 2.146 ( 2.789 -7.067 -1.067) 7.672 2.171 ( 1.514 -5.102 0.317) 5.331 2.556 ( 10.845 4.886 1.443) 11.982 2.612 ( 6.417 0.737 -0.133) 6.461 2.665 ( 2.378 3.293 3.131) 5.128 2.735 ( -0.545 -2.504 2.963) 3.918 2.922 ( 20.710 5.754 2.712) 21.665 3.037 ( 23.129 -5.909 0.972) 23.892 3.407 ( -26.732 10.974 -3.765) 29.141 3.551 ( -28.066 -2.806 -3.789) 28.459 3.754 ( 5.234 34.660 2.049) 35.113 3.891 ( -11.030 27.232 0.531) 29.386 4.159 ( 6.901 -3.198 -3.540) 8.390 4.239 ( 2.416 12.038 -1.928) 12.428 4.311 ( -2.879 25.084 -3.947) 25.556 4.352 ( -7.576 10.568 -2.550) 13.251 4.497 ( 3.457 -4.242 -3.976) 6.764 4.582 ( -5.081 -6.998 -2.319) 8.954 4.790 ( 1.721 -2.596 -1.937) 3.668 4.819 ( -1.519 1.549 -0.040) 2.170 4.963 ( 4.308 -11.625 -0.420) 12.404 5.017 ( -0.821 -12.636 0.969) 12.699 5.205 ( 7.817 2.619 2.287) 8.555 5.323 ( 0.434 -0.364 -0.365) 0.674 5.355 ( 1.135 -3.735 1.066) 4.047 5.487 ( -7.225 -9.241 0.208) 11.732 6.408 ( 11.311 5.837 -0.658) 12.745 6.461 ( 7.716 4.517 -3.008) 9.433 6.576 ( -1.575 6.680 -1.325) 6.990 6.613 ( -7.273 9.392 -5.667) 13.161 6.683 ( 0.790 17.689 0.140) 17.707 6.787 ( -6.196 18.441 1.249) 19.494 6.969 ( 6.683 -1.693 5.912) 9.082 7.072 ( -3.884 6.320 4.133) 8.492 7.133 ( -0.607 -20.551 1.528) 20.616 7.161 ( -4.999 -10.370 8.078) 14.064 7.319 ( 4.267 -20.160 6.202) 21.520 7.501 ( -12.546 -28.240 3.399) 31.088 7.731 ( 3.151 11.548 -0.503) 11.980 7.788 ( -2.981 12.857 -0.122) 13.199 7.993 ( 4.807 -15.159 -1.509) 15.974 8.076 ( -3.836 -16.390 -1.256) 16.879 8.673 ( 4.683 3.942 0.754) 6.167 8.729 ( -1.729 1.175 1.494) 2.569 8.815 ( -0.365 -7.275 2.757) 7.789 8.826 ( -1.409 -8.197 2.191) 8.601 9.427 ( 8.550 11.905 -11.724) 18.769 9.502 ( 2.365 6.672 -6.215) 9.421 9.548 ( 4.211 3.931 -2.259) 6.188 9.627 ( -2.259 -1.328 -5.865) 6.423 9.969 ( 5.655 5.282 6.203) 9.917 10.060 ( -1.820 -0.361 8.107) 8.316 10.167 ( -3.972 -6.151 8.272) 11.047 10.202 ( -8.230 -9.474 2.641) 12.825 10.856 ( 4.645 14.080 -8.068) 16.879 10.937 ( -2.094 12.630 -9.579) 15.989 11.067 ( 1.368 -4.353 -5.739) 7.332 11.154 ( -5.615 -6.132 -7.075) 10.917 11.279 ( 1.960 17.005 1.051) 17.150 11.324 ( -1.898 16.911 0.408) 17.022 11.598 ( 2.976 -13.000 -2.067) 13.496 11.644 ( -2.002 -14.940 -3.057) 15.381 11.696 ( 7.773 13.339 -6.221) 16.645 11.839 ( -6.859 10.495 -4.232) 13.233 11.965 ( 5.958 -12.313 -4.233) 14.318 12.079 ( -5.913 -12.098 -4.076) 14.069 12.557 ( 2.021 11.644 10.747) 15.974 12.594 ( -1.663 12.998 10.784) 16.971 12.818 ( 4.141 -15.480 6.630) 17.342 12.875 ( -1.751 -16.218 8.876) 18.571 13.992 ( 0.672 7.367 0.813) 7.443 14.000 ( -0.144 6.482 0.615) 6.513 14.119 ( 0.556 -6.294 -0.359) 6.328 14.126 ( -0.146 -6.813 0.811) 6.863 14.951 ( 21.373 8.940 4.755) 23.650 15.130 ( 22.114 -10.582 7.282) 25.574 15.385 ( -24.706 8.021 2.057) 26.057 15.537 ( -21.328 -8.396 3.915) 23.254 17.346 ( 4.079 35.802 -1.248) 36.055 17.427 ( -4.761 32.199 0.268) 32.550 17.636 ( 0.180 7.049 -4.081) 8.147 17.645 ( -0.935 8.664 -4.913) 10.004 18.116 ( 6.426 -12.113 -5.394) 14.735 18.218 ( 0.583 -15.819 1.265) 15.880 18.232 ( -2.381 -12.425 -2.198) 12.840 18.298 ( -4.069 -15.173 2.657) 15.933 19.222 ( 3.532 3.266 -12.021) 12.948 19.250 ( 2.599 1.236 -11.027) 11.396 19.280 ( -1.288 1.569 -15.426) 15.559 19.301 ( -1.591 0.042 -10.632) 10.750 23.407 ( 15.915 57.491 15.433) 61.618 23.778 ( -24.744 51.394 10.442) 57.989 24.365 ( 11.350 -43.434 9.265) 45.839 24.614 ( -15.736 -37.317 6.962) 41.094 25.866 ( 10.769 15.133 -9.044) 20.658 26.014 ( -5.656 14.548 -9.540) 18.293 26.186 ( 8.792 -17.173 -5.266) 19.999 26.322 ( -6.005 -16.507 -6.045) 18.577 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.000 0.000 23.623) 23.623 0.941 ( 0.000 0.000 17.281) 17.281 1.213 ( 0.000 0.000 6.040) 6.040 1.404 ( 0.000 0.000 -7.946) 7.946 1.453 ( 0.000 0.000 1.066) 1.066 1.496 ( 0.000 0.000 0.023) 0.023 1.527 ( 0.000 0.000 -0.167) 0.167 1.572 ( 0.000 0.000 1.776) 1.776 1.668 ( 0.000 0.000 26.939) 26.939 1.708 ( 0.000 0.000 2.724) 2.724 1.829 ( 0.000 0.000 1.845) 1.845 1.905 ( 0.000 0.000 -3.800) 3.800 1.920 ( 0.000 0.000 -0.098) 0.098 1.984 ( 0.000 0.000 12.498) 12.498 2.005 ( 0.000 0.000 -2.520) 2.520 2.067 ( 0.000 0.000 -4.965) 4.965 2.360 ( 0.000 0.000 -0.409) 0.409 2.422 ( 0.000 0.000 0.313) 0.313 2.460 ( 0.000 0.000 -12.101) 12.101 2.622 ( 0.000 0.000 0.891) 0.891 3.477 ( 0.000 0.000 13.988) 13.988 3.548 ( 0.000 0.000 -9.218) 9.218 3.669 ( 0.000 0.000 -10.697) 10.697 3.737 ( 0.000 0.000 13.881) 13.881 3.816 ( 0.000 0.000 -6.516) 6.516 4.371 ( 0.000 0.000 -8.814) 8.814 4.543 ( 0.000 0.000 -14.562) 14.562 4.575 ( 0.000 0.000 3.400) 3.400 4.661 ( 0.000 0.000 -2.353) 2.353 4.725 ( 0.000 0.000 -7.223) 7.223 5.063 ( 0.000 0.000 7.321) 7.321 5.068 ( 0.000 0.000 2.844) 2.844 5.462 ( 0.000 0.000 1.895) 1.895 5.562 ( 0.000 0.000 -2.823) 2.823 5.598 ( 0.000 0.000 7.100) 7.100 5.632 ( 0.000 0.000 7.359) 7.359 5.737 ( 0.000 0.000 -0.327) 0.327 5.778 ( 0.000 0.000 6.487) 6.487 5.952 ( 0.000 0.000 -4.170) 4.170 6.108 ( 0.000 0.000 0.664) 0.664 6.455 ( 0.000 0.000 5.428) 5.428 6.481 ( 0.000 0.000 -14.033) 14.033 7.043 ( 0.000 0.000 -1.246) 1.246 7.097 ( 0.000 0.000 -2.073) 2.073 7.254 ( 0.000 0.000 2.012) 2.012 7.405 ( 0.000 0.000 3.026) 3.026 7.568 ( 0.000 0.000 -0.706) 0.706 7.812 ( 0.000 0.000 -5.387) 5.387 8.159 ( 0.000 0.000 -15.472) 15.472 8.174 ( 0.000 0.000 -0.889) 0.889 8.232 ( 0.000 0.000 12.191) 12.191 8.367 ( 0.000 0.000 -2.082) 2.082 8.652 ( 0.000 0.000 -8.132) 8.132 8.669 ( 0.000 0.000 -2.704) 2.704 9.016 ( 0.000 0.000 13.130) 13.130 9.109 ( 0.000 0.000 3.216) 3.216 9.152 ( 0.000 0.000 2.847) 2.847 9.247 ( 0.000 0.000 -2.316) 2.316 9.271 ( 0.000 0.000 -2.261) 2.261 9.314 ( 0.000 0.000 -1.163) 1.163 9.769 ( 0.000 0.000 1.716) 1.716 9.831 ( 0.000 0.000 -0.932) 0.932 9.973 ( 0.000 0.000 -15.943) 15.943 10.223 ( 0.000 0.000 4.279) 4.279 10.261 ( 0.000 0.000 -8.699) 8.699 10.461 ( 0.000 0.000 11.155) 11.155 10.606 ( 0.000 0.000 13.563) 13.563 10.999 ( 0.000 0.000 6.380) 6.380 11.030 ( 0.000 0.000 -2.894) 2.894 11.213 ( 0.000 0.000 -1.285) 1.285 11.348 ( 0.000 0.000 -4.597) 4.597 11.406 ( 0.000 0.000 -14.950) 14.950 11.855 ( 0.000 0.000 1.723) 1.723 11.968 ( 0.000 0.000 -12.633) 12.633 12.193 ( 0.000 0.000 -6.363) 6.363 12.480 ( 0.000 0.000 -2.952) 2.952 12.614 ( 0.000 0.000 5.346) 5.346 13.153 ( 0.000 0.000 10.861) 10.861 13.283 ( 0.000 0.000 1.108) 1.108 13.600 ( 0.000 0.000 1.061) 1.061 13.726 ( 0.000 0.000 -3.442) 3.442 14.246 ( 0.000 0.000 5.373) 5.373 14.265 ( 0.000 0.000 0.508) 0.508 14.275 ( 0.000 0.000 -3.916) 3.916 14.793 ( 0.000 0.000 4.772) 4.772 15.182 ( 0.000 0.000 23.467) 23.467 15.262 ( 0.000 0.000 3.239) 3.239 15.473 ( 0.000 0.000 -9.566) 9.566 15.683 ( 0.000 0.000 -2.980) 2.980 16.021 ( 0.000 0.000 0.463) 0.463 16.207 ( 0.000 0.000 -1.016) 1.016 17.249 ( 0.000 0.000 6.431) 6.431 17.281 ( 0.000 0.000 6.958) 6.958 17.982 ( 0.000 0.000 -39.270) 39.270 18.444 ( 0.000 0.000 -21.151) 21.151 18.633 ( 0.000 0.000 -17.923) 17.923 18.837 ( 0.000 0.000 2.315) 2.315 18.915 ( 0.000 0.000 4.146) 4.146 18.918 ( 0.000 0.000 -3.614) 3.614 19.259 ( 0.000 0.000 -1.738) 1.738 22.132 ( 0.000 0.000 43.446) 43.446 23.320 ( 0.000 0.000 7.454) 7.454 24.565 ( 0.000 0.000 -11.668) 11.668 25.385 ( 0.000 0.000 -25.461) 25.461 25.473 ( 0.000 0.000 8.879) 8.879 25.841 ( 0.000 0.000 9.432) 9.432 26.486 ( 0.000 0.000 -5.905) 5.905 26.774 ( 0.000 0.000 -5.168) 5.168 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 7.273 0.000 18.520) 19.897 0.974 ( 3.425 0.000 14.921) 15.309 1.190 ( -2.427 0.000 6.425) 6.868 1.333 ( -6.241 0.000 -2.720) 6.808 1.460 ( 0.738 0.000 0.972) 1.221 1.522 ( -0.721 0.000 -0.121) 0.731 1.533 ( 2.429 0.000 -1.248) 2.731 1.565 ( -0.302 0.000 1.663) 1.691 1.704 ( 3.396 0.000 3.490) 4.870 1.775 ( 5.658 0.000 12.010) 13.276 1.896 ( 2.245 0.000 -2.389) 3.279 1.909 ( -0.604 0.000 2.315) 2.392 1.917 ( 1.118 0.000 -2.869) 3.079 1.975 ( -0.844 0.000 6.475) 6.530 2.136 ( 16.011 0.000 2.632) 16.226 2.156 ( 10.756 0.000 6.383) 12.508 2.325 ( -1.186 0.000 -1.947) 2.280 2.479 ( 6.170 0.000 0.347) 6.180 2.480 ( 2.749 0.000 -14.144) 14.409 2.766 ( 13.508 0.000 4.263) 14.164 3.083 ( -27.526 0.000 5.795) 28.130 3.432 ( -4.805 0.000 12.854) 13.723 3.511 ( -15.975 0.000 -6.240) 17.150 3.772 ( 1.703 0.000 8.663) 8.829 4.010 ( 10.597 0.000 -6.283) 12.320 4.253 ( -10.856 0.000 -3.353) 11.362 4.507 ( -3.762 0.000 -12.926) 13.463 4.593 ( -7.748 0.000 -1.397) 7.873 4.674 ( 9.345 0.000 1.400) 9.449 4.965 ( 4.412 0.000 2.614) 5.128 5.063 ( 5.602 0.000 -2.446) 6.112 5.207 ( 10.702 0.000 -0.446) 10.711 5.377 ( -2.223 0.000 2.913) 3.664 5.385 ( -7.186 0.000 0.887) 7.241 5.642 ( 5.200 0.000 5.588) 7.633 5.714 ( 1.784 0.000 3.358) 3.802 5.808 ( -2.178 0.000 -4.677) 5.159 5.824 ( 9.518 0.000 -0.907) 9.561 6.027 ( 3.196 0.000 -4.278) 5.340 6.364 ( 5.309 0.000 4.191) 6.764 6.443 ( -5.411 0.000 -10.411) 11.733 6.461 ( 24.185 0.000 -7.094) 25.204 6.955 ( -5.017 0.000 -0.980) 5.112 7.063 ( -10.620 0.000 -3.698) 11.246 7.200 ( -6.230 0.000 -1.773) 6.478 7.329 ( 2.995 0.000 5.109) 5.923 7.613 ( 0.307 0.000 2.501) 2.520 7.815 ( -1.073 0.000 -8.897) 8.961 8.139 ( -2.103 0.000 -3.090) 3.737 8.231 ( 6.601 0.000 -12.647) 14.266 8.340 ( 9.104 0.000 10.384) 13.810 8.404 ( 3.798 0.000 -3.514) 5.174 8.652 ( -3.645 0.000 -1.191) 3.835 8.660 ( 2.075 0.000 -8.076) 8.339 8.909 ( -14.002 0.000 -2.002) 14.145 8.966 ( -13.588 0.000 2.625) 13.840 9.006 ( -6.307 0.000 7.355) 9.689 9.120 ( -3.824 0.000 2.815) 4.748 9.357 ( 8.697 0.000 -2.665) 9.096 9.575 ( 13.415 0.000 1.922) 13.552 9.744 ( -2.920 0.000 3.278) 4.390 9.848 ( 1.833 0.000 -0.399) 1.876 10.006 ( 1.666 0.000 -10.780) 10.908 10.107 ( -7.039 0.000 -0.147) 7.040 10.383 ( 8.649 0.000 -5.976) 10.513 10.471 ( 2.044 0.000 11.325) 11.508 10.638 ( 3.431 0.000 11.537) 12.037 10.988 ( -4.128 0.000 -0.556) 4.165 11.002 ( -3.510 0.000 2.704) 4.431 11.181 ( -3.581 0.000 -1.560) 3.906 11.280 ( -0.749 0.000 -8.508) 8.541 11.458 ( 1.793 0.000 -7.152) 7.373 11.808 ( -3.028 0.000 -2.694) 4.053 11.952 ( -3.000 0.000 -9.920) 10.364 12.232 ( 3.990 0.000 -6.782) 7.868 12.476 ( -1.336 0.000 -3.112) 3.386 12.653 ( 3.868 0.000 7.906) 8.802 13.006 ( -10.134 0.000 18.876) 21.425 13.390 ( 9.074 0.000 1.652) 9.223 13.628 ( 3.486 0.000 1.403) 3.757 13.774 ( 3.650 0.000 -1.009) 3.787 14.105 ( -14.506 0.000 8.327) 16.726 14.287 ( 5.805 0.000 2.748) 6.423 14.290 ( 0.512 0.000 -1.515) 1.600 14.476 ( -9.071 0.000 8.434) 12.386 15.271 ( -3.283 0.000 -1.190) 3.492 15.342 ( -9.642 0.000 -4.713) 10.732 15.625 ( -6.212 0.000 -1.917) 6.501 16.023 ( 57.586 0.000 -11.697) 58.762 16.041 ( 2.442 0.000 0.922) 2.611 16.196 ( -1.314 0.000 -0.857) 1.569 17.254 ( 0.642 0.000 6.478) 6.509 17.287 ( 0.406 0.000 6.885) 6.897 17.893 ( -10.438 0.000 -39.566) 40.920 18.449 ( 0.847 0.000 -20.395) 20.413 18.611 ( -2.425 0.000 -18.336) 18.495 18.786 ( -3.946 0.000 -0.585) 3.990 18.832 ( -2.772 0.000 0.374) 2.797 19.061 ( 7.739 0.000 1.037) 7.809 19.259 ( -0.156 0.000 -0.979) 0.991 22.149 ( 2.258 0.000 43.145) 43.204 22.955 ( -29.524 0.000 24.494) 38.362 24.834 ( 20.466 0.000 -22.708) 30.569 25.367 ( -2.130 0.000 -25.889) 25.977 25.502 ( 3.067 0.000 9.004) 9.512 25.795 ( -4.692 0.000 9.365) 10.474 26.526 ( 4.012 0.000 -5.787) 7.042 26.755 ( -2.130 0.000 -5.277) 5.691 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 4.565 0.000 10.722) 11.653 1.090 ( 6.456 0.000 11.661) 13.329 1.130 ( -4.072 0.000 7.814) 8.811 1.210 ( -6.949 0.000 4.096) 8.066 1.479 ( 1.247 0.000 0.699) 1.429 1.502 ( -1.311 0.000 0.276) 1.339 1.561 ( 0.732 0.000 0.625) 0.963 1.566 ( 0.135 0.000 0.842) 0.853 1.765 ( 3.222 0.000 -1.617) 3.606 1.814 ( -1.580 0.000 -0.791) 1.767 1.916 ( 0.705 0.000 -3.668) 3.736 1.924 ( -0.136 0.000 -3.378) 3.381 1.927 ( 2.062 0.000 5.056) 5.461 1.956 ( -1.258 0.000 4.059) 4.250 2.305 ( 2.341 0.000 -2.605) 3.503 2.335 ( -0.398 0.000 -2.375) 2.409 2.429 ( 15.201 0.000 9.668) 18.015 2.631 ( 0.872 0.000 0.720) 1.131 2.735 ( 23.214 0.000 -3.194) 23.432 2.762 ( 2.741 0.000 12.050) 12.358 2.982 ( 3.276 0.000 6.674) 7.435 3.136 ( -24.256 0.000 1.990) 24.337 3.354 ( 1.974 0.000 5.746) 6.075 3.619 ( -19.190 0.000 -2.586) 19.364 4.194 ( 7.326 0.000 7.289) 10.335 4.212 ( 11.559 0.000 -4.239) 12.312 4.398 ( -12.650 0.000 2.424) 12.880 4.400 ( -8.452 0.000 -8.592) 12.052 4.840 ( 8.590 0.000 1.044) 8.653 4.972 ( -4.154 0.000 3.350) 5.337 5.092 ( 2.010 0.000 0.892) 2.199 5.173 ( -5.466 0.000 3.007) 6.238 5.447 ( 8.975 0.000 1.864) 9.167 5.531 ( 12.025 0.000 -6.032) 13.453 5.635 ( -9.524 0.000 1.770) 9.687 5.700 ( -5.737 0.000 -5.261) 7.784 5.818 ( 9.388 0.000 1.637) 9.529 5.996 ( -7.524 0.000 -1.454) 7.663 6.040 ( 13.423 0.000 -2.997) 13.754 6.277 ( -11.990 0.000 -4.937) 12.967 6.406 ( 9.343 0.000 4.083) 10.196 6.678 ( -17.240 0.000 3.496) 17.591 6.952 ( 4.085 0.000 -3.867) 5.625 7.065 ( -7.633 0.000 -3.968) 8.603 7.154 ( 29.033 0.000 -21.278) 35.996 7.479 ( 5.102 0.000 4.772) 6.986 7.549 ( -4.127 0.000 -3.969) 5.726 7.709 ( -10.458 0.000 -10.405) 14.752 8.180 ( 7.836 0.000 -3.770) 8.695 8.351 ( 5.936 0.000 -7.189) 9.323 8.409 ( -13.674 0.000 -0.771) 13.695 8.423 ( -0.995 0.000 0.536) 1.130 8.525 ( 3.080 0.000 -9.441) 9.931 8.669 ( -11.266 0.000 -8.667) 14.214 8.791 ( 11.794 0.000 -1.878) 11.942 8.851 ( 1.951 0.000 8.179) 8.408 8.927 ( -4.699 0.000 8.191) 9.443 8.999 ( -9.697 0.000 1.798) 9.862 9.511 ( 7.746 0.000 -0.610) 7.770 9.631 ( -5.474 0.000 2.719) 6.112 9.822 ( 10.304 0.000 2.542) 10.613 9.900 ( 4.009 0.000 0.273) 4.019 9.973 ( -5.585 0.000 -1.526) 5.790 9.991 ( -5.821 0.000 0.079) 5.822 10.556 ( 6.949 0.000 10.224) 12.362 10.577 ( 12.764 0.000 -8.076) 15.104 10.670 ( -3.016 0.000 9.261) 9.740 10.824 ( -13.603 0.000 -6.739) 15.181 10.955 ( 3.472 0.000 0.838) 3.572 11.079 ( -7.542 0.000 -0.478) 7.557 11.358 ( 6.371 0.000 -2.873) 6.989 11.447 ( -2.947 0.000 -3.594) 4.648 11.795 ( 1.954 0.000 -6.841) 7.114 11.868 ( -5.346 0.000 -8.981) 10.452 12.319 ( 5.250 0.000 -5.440) 7.560 12.414 ( -4.977 0.000 -3.592) 6.138 12.743 ( 5.953 0.000 13.389) 14.653 12.858 ( -6.746 0.000 19.483) 20.618 13.598 ( 13.341 0.000 6.979) 15.056 13.717 ( 5.529 0.000 2.625) 6.120 13.794 ( -2.087 0.000 2.583) 3.321 13.846 ( -13.818 0.000 11.314) 17.859 14.317 ( 2.662 0.000 -1.927) 3.286 14.380 ( -4.013 0.000 0.797) 4.091 14.511 ( 19.271 0.000 -2.719) 19.462 14.930 ( -24.650 0.000 -6.636) 25.528 15.376 ( 5.472 0.000 2.398) 5.975 15.494 ( -7.364 0.000 0.709) 7.398 16.100 ( 3.590 0.000 0.343) 3.606 16.159 ( -2.762 0.000 -0.373) 2.787 16.956 ( 43.493 0.000 -31.129) 53.485 17.270 ( 1.074 0.000 6.626) 6.712 17.286 ( -0.532 0.000 6.795) 6.816 17.576 ( -25.445 0.000 -37.802) 45.568 18.485 ( 3.079 0.000 -19.813) 20.051 18.551 ( -3.891 0.000 -19.235) 19.625 18.751 ( 0.190 0.000 -2.039) 2.048 18.781 ( -2.673 0.000 -1.353) 2.996 19.179 ( 5.094 0.000 1.006) 5.192 19.242 ( -2.014 0.000 0.273) 2.032 22.237 ( 8.452 0.000 42.115) 42.955 22.488 ( -20.065 0.000 38.140) 43.096 25.138 ( 12.527 0.000 -27.720) 30.419 25.298 ( -5.814 0.000 -27.047) 27.665 25.580 ( 5.496 0.000 9.228) 10.740 25.691 ( -6.377 0.000 9.330) 11.301 26.613 ( 5.132 0.000 -5.654) 7.636 26.698 ( -4.091 0.000 -5.494) 6.850 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 8.382 20.152) 21.826 1.078 ( 0.000 10.978 15.366) 18.884 1.340 ( 0.000 -0.353 -3.950) 3.966 1.381 ( 0.000 8.224 3.123) 8.797 1.473 ( 0.000 2.272 -1.174) 2.557 1.533 ( 0.000 -0.175 1.538) 1.548 1.707 ( 0.000 0.436 4.664) 4.684 1.715 ( 0.000 1.176 1.790) 2.142 1.774 ( 0.000 -3.192 -2.231) 3.894 1.848 ( 0.000 2.190 3.407) 4.050 1.911 ( 0.000 8.382 14.227) 16.513 1.945 ( 0.000 12.647 -1.439) 12.729 2.215 ( 0.000 25.508 0.152) 25.508 2.243 ( 0.000 42.766 -1.917) 42.809 2.319 ( 0.000 31.537 7.178) 32.344 2.345 ( 0.000 10.763 -0.922) 10.802 2.426 ( 0.000 29.260 -0.426) 29.264 2.456 ( 0.000 10.905 -10.653) 15.245 2.459 ( 0.000 4.984 0.023) 4.984 2.623 ( 0.000 0.596 0.845) 1.034 2.888 ( 0.000 -16.967 17.174) 24.142 3.428 ( 0.000 -4.974 13.369) 14.264 3.684 ( 0.000 3.458 -6.941) 7.754 3.850 ( 0.000 3.396 -6.588) 7.411 4.288 ( 0.000 -6.406 -10.791) 12.549 4.290 ( 0.000 6.385 -13.243) 14.702 4.609 ( 0.000 4.835 -11.267) 12.261 4.654 ( 0.000 3.743 1.762) 4.137 4.777 ( 0.000 13.210 -4.027) 13.810 4.806 ( 0.000 6.828 -5.070) 8.505 5.069 ( 0.000 -0.429 0.225) 0.484 5.087 ( 0.000 2.484 6.096) 6.583 5.270 ( 0.000 -9.949 -1.945) 10.137 5.449 ( 0.000 -8.479 8.139) 11.753 5.643 ( 0.000 -9.611 -0.635) 9.632 5.652 ( 0.000 -1.912 -0.893) 2.110 5.871 ( 0.000 10.990 9.895) 14.788 6.027 ( 0.000 9.850 -5.431) 11.248 6.129 ( 0.000 6.441 1.171) 6.547 6.447 ( 0.000 27.923 1.676) 27.973 6.498 ( 0.000 29.229 -8.450) 30.426 6.651 ( 0.000 15.059 -6.397) 16.362 6.948 ( 0.000 -5.936 -3.274) 6.779 7.011 ( 0.000 -10.274 -2.764) 10.639 7.097 ( 0.000 -7.135 1.785) 7.355 7.511 ( 0.000 -4.918 -3.776) 6.200 7.553 ( 0.000 7.489 3.266) 8.170 7.829 ( 0.000 -15.979 5.180) 16.797 7.845 ( 0.000 0.655 -9.377) 9.400 8.030 ( 0.000 -5.697 -1.064) 5.795 8.419 ( 0.000 -2.174 -5.474) 5.889 8.479 ( 0.000 -3.031 -2.368) 3.846 8.648 ( 0.000 -4.355 -2.315) 4.932 8.666 ( 0.000 8.204 -5.591) 9.928 8.810 ( 0.000 -14.386 3.721) 14.860 9.174 ( 0.000 14.805 8.238) 16.943 9.183 ( 0.000 -2.295 6.464) 6.859 9.286 ( 0.000 -1.316 -1.358) 1.891 9.343 ( 0.000 7.239 2.606) 7.693 9.590 ( 0.000 -10.073 3.456) 10.650 9.596 ( 0.000 24.000 -5.372) 24.594 9.846 ( 0.000 -0.657 -7.320) 7.350 10.143 ( 0.000 14.622 -7.930) 16.634 10.292 ( 0.000 0.657 -1.674) 1.799 10.333 ( 0.000 9.682 1.531) 9.802 10.483 ( 0.000 6.820 0.896) 6.879 10.596 ( 0.000 -0.154 11.916) 11.917 10.998 ( 0.000 -2.623 -1.716) 3.135 11.061 ( 0.000 5.073 6.981) 8.630 11.195 ( 0.000 -1.123 -1.458) 1.840 11.353 ( 0.000 -0.236 -3.955) 3.962 11.448 ( 0.000 3.959 -12.899) 13.493 11.842 ( 0.000 -1.394 0.145) 1.402 11.915 ( 0.000 -5.334 -12.710) 13.783 12.132 ( 0.000 -6.296 -5.974) 8.679 12.430 ( 0.000 -5.134 -3.097) 5.996 12.586 ( 0.000 -2.266 4.677) 5.196 13.103 ( 0.000 -4.618 10.496) 11.467 13.173 ( 0.000 -10.209 1.484) 10.316 13.667 ( 0.000 6.383 0.668) 6.417 13.758 ( 0.000 0.800 0.248) 0.837 14.018 ( 0.000 -22.311 10.870) 24.818 14.238 ( 0.000 -2.692 0.557) 2.749 14.321 ( 0.000 2.885 2.966) 4.138 14.501 ( 0.000 -8.127 5.915) 10.052 15.145 ( 0.000 -3.460 21.947) 22.218 15.551 ( 0.000 10.905 -9.241) 14.294 15.636 ( 0.000 32.932 3.396) 33.107 15.860 ( 0.000 9.197 3.946) 10.008 16.286 ( 0.000 28.045 3.346) 28.244 16.946 ( 0.000 58.503 -28.164) 64.929 17.286 ( 0.000 3.991 4.836) 6.271 17.296 ( 0.000 2.429 3.936) 4.625 18.171 ( 0.000 17.335 -38.722) 42.425 18.379 ( 0.000 -6.056 -19.506) 20.425 18.563 ( 0.000 -6.908 -16.117) 17.535 18.800 ( 0.000 -4.746 2.592) 5.408 18.888 ( 0.000 -2.305 3.376) 4.088 18.935 ( 0.000 1.350 -5.113) 5.288 19.253 ( 0.000 -0.757 -2.461) 2.575 22.287 ( 0.000 16.915 41.664) 44.967 23.452 ( 0.000 15.034 4.163) 15.600 24.640 ( 0.000 8.315 -11.563) 14.242 25.370 ( 0.000 -7.691 0.347) 7.699 25.409 ( 0.000 -0.820 -13.637) 13.661 25.792 ( 0.000 -5.459 8.164) 9.821 26.416 ( 0.000 -7.724 -5.870) 9.701 26.735 ( 0.000 -4.772 -5.653) 7.398 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 4.008 6.930 14.761) 16.792 1.153 ( 5.629 11.502 11.968) 17.527 1.317 ( -3.095 2.435 0.036) 3.938 1.361 ( -2.570 9.890 3.145) 10.692 1.495 ( 2.487 1.112 -0.401) 2.754 1.542 ( 0.560 0.598 0.745) 1.107 1.698 ( 0.994 -0.271 0.991) 1.430 1.756 ( 1.694 -1.154 -1.156) 2.354 1.775 ( 0.576 -1.886 0.081) 1.974 1.874 ( -0.527 5.314 7.456) 9.171 1.989 ( 9.361 12.181 0.804) 15.383 2.089 ( 15.037 13.855 7.855) 21.904 2.215 ( 0.660 20.850 -1.253) 20.898 2.260 ( 1.188 40.049 -1.999) 40.117 2.329 ( -0.440 14.783 -1.671) 14.884 2.364 ( 5.745 30.019 10.959) 32.469 2.400 ( -2.150 31.496 1.322) 31.597 2.455 ( 2.380 0.248 -9.796) 10.084 2.534 ( 6.616 8.187 -2.993) 10.943 2.755 ( 11.630 -1.465 4.380) 12.514 2.830 ( -4.388 -7.783 13.757) 16.404 3.383 ( -5.146 -4.435 11.705) 13.533 3.529 ( -13.969 4.727 -3.302) 15.112 3.911 ( 3.177 4.054 -1.915) 5.495 4.084 ( -14.206 -0.154 -10.202) 17.490 4.305 ( -2.027 4.299 -6.999) 8.461 4.540 ( -6.130 0.907 -8.826) 10.784 4.614 ( -7.368 3.332 -5.017) 9.516 4.718 ( 5.254 5.682 2.786) 8.226 4.956 ( 1.518 0.173 1.754) 2.326 5.085 ( 4.349 2.519 -3.223) 5.971 5.164 ( 1.951 -1.205 1.867) 2.958 5.295 ( 6.904 -5.419 -3.723) 9.534 5.425 ( -0.561 -7.100 6.045) 9.342 5.591 ( -0.031 -5.451 -0.052) 5.452 5.737 ( 2.446 -2.847 -1.869) 4.193 5.894 ( -2.630 12.498 0.092) 12.772 5.978 ( 0.766 9.981 4.037) 10.794 6.067 ( -0.605 7.060 -1.126) 7.174 6.419 ( -3.553 3.528 5.006) 7.081 6.586 ( -7.647 9.010 0.388) 11.825 6.737 ( 5.779 11.215 -6.995) 14.426 6.914 ( 3.674 6.535 -7.797) 10.817 7.069 ( 11.667 9.037 -9.537) 17.571 7.182 ( 7.391 -1.216 -2.113) 7.783 7.441 ( -5.633 8.378 1.070) 10.152 7.553 ( 1.866 -6.114 0.005) 6.393 7.851 ( 2.752 -16.742 0.084) 16.967 7.917 ( 3.343 8.096 -3.275) 9.352 8.065 ( 3.689 -12.930 -4.214) 14.091 8.394 ( -2.862 -1.322 -3.985) 5.081 8.517 ( 3.292 -1.355 -4.780) 5.960 8.558 ( -6.037 -7.039 -2.355) 9.568 8.701 ( -1.468 -4.131 -0.594) 4.424 8.747 ( -4.791 -1.152 -0.599) 4.964 8.964 ( -13.507 2.857 0.032) 13.806 9.132 ( -3.087 8.623 8.107) 12.231 9.337 ( -4.379 12.878 1.320) 13.666 9.410 ( 6.101 4.319 1.152) 7.563 9.501 ( 0.093 -9.150 1.922) 9.350 9.742 ( 8.625 10.027 -1.074) 13.270 9.889 ( 2.781 0.044 -3.218) 4.253 10.112 ( -2.996 14.654 -4.786) 15.704 10.250 ( -3.884 9.468 -3.723) 10.890 10.340 ( 4.080 -2.510 3.817) 6.125 10.562 ( 4.895 5.205 0.154) 7.147 10.643 ( 4.765 5.448 8.267) 10.988 10.954 ( -4.225 -2.194 0.581) 4.796 11.065 ( -1.639 4.527 3.847) 6.163 11.176 ( -2.031 0.335 -1.992) 2.865 11.325 ( -0.816 3.212 -5.747) 6.634 11.445 ( -0.751 -0.904 -7.797) 7.885 11.787 ( -3.018 -2.519 -5.450) 6.720 11.922 ( -1.702 -2.749 -8.734) 9.313 12.171 ( 4.079 -6.373 -6.487) 9.967 12.423 ( -1.555 -5.481 -3.194) 6.532 12.621 ( 3.579 -2.635 7.242) 8.497 12.960 ( -9.615 -4.265 17.619) 20.521 13.284 ( 8.668 -10.015 1.694) 13.353 13.683 ( 2.328 4.064 1.541) 4.931 13.803 ( 3.162 0.068 2.366) 3.950 13.894 ( -9.870 -14.761 10.804) 20.785 14.254 ( 1.118 -3.115 -0.842) 3.415 14.347 ( 2.678 0.734 2.404) 3.672 14.446 ( -0.724 2.688 3.613) 4.561 15.399 ( -14.498 7.047 -9.112) 18.517 15.459 ( 17.879 -10.255 11.163) 23.440 15.673 ( 4.718 30.260 2.499) 30.727 15.869 ( 2.920 8.796 7.111) 11.682 16.259 ( -2.711 24.662 4.082) 25.144 17.061 ( 12.245 51.804 -29.732) 60.972 17.293 ( 0.641 3.976 3.528) 5.354 17.308 ( 1.964 5.504 3.290) 6.706 18.099 ( -8.419 18.593 -38.968) 43.989 18.386 ( 1.019 -5.692 -18.736) 19.608 18.541 ( -2.298 -6.671 -16.673) 18.105 18.778 ( -2.646 -2.263 0.550) 3.525 18.798 ( -3.639 -2.857 -0.927) 4.718 19.056 ( 7.364 -0.560 -0.798) 7.428 19.252 ( -0.277 -0.885 -1.848) 2.067 22.307 ( 2.610 17.328 41.151) 44.726 23.117 ( -27.786 17.988 19.255) 38.294 24.878 ( 18.499 5.389 -20.404) 28.063 25.373 ( -1.234 -0.348 -18.652) 18.696 25.418 ( 2.441 -7.927 5.115) 9.745 25.739 ( -5.296 -6.172 8.106) 11.483 26.461 ( 4.548 -7.112 -5.802) 10.243 26.714 ( -2.322 -4.914 -5.717) 7.888 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 6.472 5.863 8.696) 12.324 1.217 ( -3.645 4.641 3.672) 6.951 1.243 ( 0.854 11.168 7.621) 13.548 1.301 ( -3.565 10.878 5.393) 12.655 1.531 ( 1.309 1.229 1.497) 2.338 1.546 ( -0.258 1.042 0.955) 1.437 1.731 ( 1.828 -1.952 -2.956) 3.987 1.755 ( -0.854 -2.590 -3.622) 4.534 1.805 ( 2.162 1.611 3.146) 4.143 1.846 ( -2.137 3.645 4.342) 6.058 2.161 ( 6.864 30.271 -0.901) 31.053 2.214 ( 0.413 40.487 0.170) 40.489 2.265 ( 1.705 10.948 -2.116) 11.280 2.275 ( 0.467 38.139 -1.451) 38.170 2.316 ( -0.675 9.132 -4.057) 10.015 2.353 ( -3.004 17.790 -0.489) 18.048 2.522 ( 9.273 11.774 8.978) 17.470 2.640 ( -2.495 1.104 6.064) 6.650 2.690 ( 21.550 5.147 6.407) 23.064 2.832 ( 15.407 4.957 3.378) 16.534 2.975 ( 3.402 -0.270 6.673) 7.495 3.157 ( -20.467 4.254 2.731) 21.082 3.345 ( 1.283 -1.238 6.633) 6.868 3.646 ( -24.478 0.798 -4.443) 24.891 4.104 ( 10.235 -2.721 1.065) 10.644 4.270 ( -4.393 -0.006 -1.957) 4.809 4.425 ( -3.296 3.192 -5.468) 7.138 4.481 ( -6.575 4.049 -6.652) 10.192 4.838 ( 7.358 0.771 0.629) 7.425 4.948 ( -3.209 -1.410 1.551) 3.833 5.105 ( 0.215 1.822 0.445) 1.888 5.143 ( -2.546 -0.995 1.217) 2.992 5.444 ( 8.758 -3.282 -2.971) 9.814 5.526 ( 5.730 -5.772 -2.151) 8.413 5.605 ( 0.943 -8.107 -3.234) 8.778 5.702 ( -5.338 -2.531 -1.482) 6.091 5.846 ( 1.747 11.769 1.283) 11.967 5.958 ( -7.056 5.012 -0.490) 8.669 6.157 ( 10.888 8.900 2.315) 14.251 6.352 ( -8.216 6.899 2.681) 11.058 6.470 ( 1.886 2.399 3.032) 4.302 6.621 ( -11.448 -3.376 -0.318) 11.940 6.993 ( 6.461 5.626 -3.871) 9.401 7.128 ( -7.057 4.154 -0.442) 8.201 7.449 ( 8.922 10.504 -4.528) 14.507 7.549 ( 3.894 0.416 -4.660) 6.087 7.590 ( 17.955 16.202 -6.755) 25.110 7.867 ( -4.943 1.741 -5.511) 7.605 7.951 ( 4.171 -8.629 -5.891) 11.250 8.086 ( -5.047 -16.452 -4.828) 17.873 8.350 ( -0.881 -0.205 -2.966) 3.101 8.404 ( -8.589 -6.119 0.595) 10.562 8.542 ( 0.049 -2.600 -10.074) 10.405 8.589 ( -5.228 -9.143 -5.248) 11.767 8.762 ( 3.286 2.679 2.600) 4.974 8.816 ( -3.601 1.188 1.471) 4.067 9.117 ( 2.437 10.824 5.125) 12.222 9.218 ( -7.355 12.817 2.803) 15.041 9.490 ( 2.643 -1.753 1.728) 3.612 9.512 ( -0.028 -7.461 2.624) 7.909 9.888 ( 5.750 7.806 -0.557) 9.711 9.919 ( 0.875 2.552 -1.970) 3.340 10.088 ( 1.533 13.706 -1.295) 13.852 10.167 ( -5.567 10.959 -1.005) 12.333 10.462 ( 8.512 -4.615 3.814) 10.406 10.592 ( -3.623 -3.605 2.359) 5.630 10.746 ( 6.743 11.066 1.004) 12.998 10.871 ( -5.634 2.395 0.736) 6.166 11.014 ( 0.246 6.670 -1.584) 6.859 11.099 ( -6.247 2.677 -2.075) 7.106 11.368 ( 3.918 0.619 -2.678) 4.786 11.421 ( -1.886 -2.841 -3.840) 5.136 11.778 ( 2.290 -1.738 -8.190) 8.679 11.853 ( -4.993 -1.197 -8.624) 10.037 12.261 ( 5.457 -6.073 -5.191) 9.676 12.359 ( -5.085 -5.752 -3.554) 8.460 12.706 ( 5.571 -3.280 12.733) 14.280 12.815 ( -6.591 -3.778 18.496) 19.996 13.474 ( 11.714 -11.654 6.023) 17.587 13.675 ( -9.099 -13.894 9.843) 19.306 13.776 ( 2.779 3.984 3.081) 5.752 13.832 ( -1.461 3.496 2.654) 4.626 14.285 ( 2.592 -3.089 -1.605) 4.340 14.339 ( -2.851 -3.718 0.269) 4.693 14.609 ( 18.023 9.397 -1.438) 20.377 15.015 ( -24.386 8.279 -5.658) 26.367 15.635 ( 4.856 14.659 4.645) 16.126 15.704 ( -2.408 17.320 1.459) 17.547 16.041 ( 11.405 2.496 8.147) 14.237 16.189 ( -5.454 14.209 5.425) 16.158 17.251 ( 4.374 9.498 -5.348) 11.745 17.290 ( -0.972 2.947 2.309) 3.868 17.486 ( 19.799 32.883 -26.196) 46.470 17.857 ( -18.210 24.326 -36.627) 47.591 18.423 ( 3.019 -5.453 -18.600) 19.616 18.486 ( -3.580 -6.031 -17.968) 19.288 18.741 ( -0.534 -1.464 -2.302) 2.780 18.755 ( -1.778 -2.988 -1.566) 3.813 19.169 ( 4.962 -1.116 -0.425) 5.103 19.233 ( -2.110 -1.123 -0.869) 2.543 22.405 ( 9.047 18.449 39.275) 44.326 22.664 ( -20.175 19.396 33.660) 43.774 25.159 ( 11.803 2.931 -24.632) 27.471 25.311 ( -5.602 1.877 -23.810) 24.532 25.500 ( 6.076 -9.007 9.007) 14.112 25.622 ( -7.096 -7.555 8.313) 13.287 26.558 ( 5.655 -6.106 -5.818) 10.154 26.652 ( -4.457 -5.352 -5.817) 9.074 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 10.168 14.501) 17.710 1.276 ( 0.000 9.400 12.672) 15.778 1.359 ( 0.000 1.986 -2.817) 3.446 1.423 ( 0.000 -0.328 1.404) 1.442 1.525 ( 0.000 -1.123 4.880) 5.007 1.542 ( 0.000 2.548 -1.948) 3.208 1.661 ( 0.000 -3.219 -1.430) 3.523 1.693 ( 0.000 -3.650 -1.653) 4.006 1.790 ( 0.000 5.169 1.487) 5.378 1.895 ( 0.000 2.133 2.175) 3.046 1.987 ( 0.000 -0.660 -2.611) 2.693 2.030 ( 0.000 4.577 1.768) 4.907 2.237 ( 0.000 -2.340 -0.322) 2.362 2.407 ( 0.000 -2.949 -11.345) 11.722 2.486 ( 0.000 2.816 1.634) 3.256 2.601 ( 0.000 -0.607 1.041) 1.205 2.715 ( 0.000 9.270 12.670) 15.699 3.037 ( 0.000 35.420 7.323) 36.169 3.240 ( 0.000 25.505 1.301) 25.538 3.295 ( 0.000 48.390 -0.098) 48.390 3.305 ( 0.000 26.648 7.606) 27.712 3.378 ( 0.000 41.089 2.529) 41.167 3.785 ( 0.000 7.887 -6.742) 10.376 3.930 ( 0.000 4.957 -7.098) 8.658 4.174 ( 0.000 -5.115 -10.338) 11.534 4.275 ( 0.000 -3.580 -11.397) 11.946 4.692 ( 0.000 3.716 -8.551) 9.323 4.705 ( 0.000 1.322 0.724) 1.507 4.875 ( 0.000 -1.822 1.161) 2.161 4.963 ( 0.000 -10.768 -4.073) 11.512 4.972 ( 0.000 5.746 2.128) 6.128 5.107 ( 0.000 -7.317 -1.030) 7.389 5.203 ( 0.000 3.431 -2.771) 4.411 5.272 ( 0.000 -7.168 5.428) 8.991 5.432 ( 0.000 -6.644 3.520) 7.519 5.612 ( 0.000 -2.563 -2.201) 3.378 6.066 ( 0.000 10.775 10.769) 15.234 6.182 ( 0.000 7.228 -2.611) 7.685 6.434 ( 0.000 23.331 -2.871) 23.507 6.524 ( 0.000 3.787 3.244) 4.986 6.769 ( 0.000 -11.281 3.397) 11.781 6.804 ( 0.000 -2.995 2.910) 4.175 6.898 ( 0.000 3.049 -0.805) 3.153 7.084 ( 0.000 9.327 0.063) 9.327 7.132 ( 0.000 5.110 -5.812) 7.739 7.429 ( 0.000 -3.370 -4.918) 5.962 7.591 ( 0.000 -4.219 5.008) 6.548 7.628 ( 0.000 -4.686 2.221) 5.186 7.757 ( 0.000 -5.533 -13.034) 14.160 8.093 ( 0.000 1.498 1.830) 2.365 8.288 ( 0.000 -13.313 -6.618) 14.867 8.367 ( 0.000 1.247 -2.207) 2.535 8.439 ( 0.000 -12.114 -3.874) 12.719 8.580 ( 0.000 -9.948 2.825) 10.342 8.728 ( 0.000 -2.679 -5.874) 6.456 9.156 ( 0.000 -11.929 -0.258) 11.932 9.170 ( 0.000 0.437 6.849) 6.863 9.401 ( 0.000 -8.171 0.739) 8.205 9.489 ( 0.000 16.719 2.569) 16.915 9.508 ( 0.000 5.873 6.725) 8.928 9.863 ( 0.000 1.295 4.642) 4.819 10.020 ( 0.000 17.574 2.643) 17.772 10.326 ( 0.000 3.407 -12.058) 12.530 10.428 ( 0.000 15.878 -7.359) 17.501 10.558 ( 0.000 12.628 3.032) 12.987 10.582 ( 0.000 3.299 8.018) 8.670 10.777 ( 0.000 19.088 -5.164) 19.774 10.980 ( 0.000 2.420 -3.066) 3.906 11.126 ( 0.000 0.532 5.968) 5.991 11.221 ( 0.000 5.154 -1.357) 5.330 11.314 ( 0.000 -4.091 -3.933) 5.675 11.509 ( 0.000 0.466 -10.221) 10.231 11.782 ( 0.000 -6.205 -2.326) 6.626 11.798 ( 0.000 -5.958 -11.552) 12.998 11.983 ( 0.000 -8.174 -4.933) 9.547 12.297 ( 0.000 -8.830 -4.105) 9.738 12.573 ( 0.000 2.018 3.784) 4.288 12.961 ( 0.000 -11.168 2.770) 11.507 13.010 ( 0.000 -4.503 10.688) 11.598 13.490 ( 0.000 -21.363 18.726) 28.409 13.812 ( 0.000 8.623 0.090) 8.624 13.898 ( 0.000 3.846 0.772) 3.922 14.171 ( 0.000 -4.310 0.962) 4.416 14.271 ( 0.000 -6.164 1.243) 6.288 14.565 ( 0.000 9.404 6.683) 11.537 15.058 ( 0.000 -5.843 19.597) 20.450 15.716 ( 0.000 8.489 -8.532) 12.036 15.976 ( 0.000 2.703 4.852) 5.554 16.456 ( 0.000 47.859 4.712) 48.090 16.981 ( 0.000 42.190 6.212) 42.645 17.387 ( 0.000 7.144 -1.461) 7.292 17.398 ( 0.000 7.881 0.328) 7.888 17.809 ( 0.000 20.491 -23.985) 31.546 18.302 ( 0.000 6.871 -20.914) 22.014 18.407 ( 0.000 -8.727 -12.275) 15.061 18.492 ( 0.000 9.461 -19.572) 21.739 18.654 ( 0.000 -7.604 -3.685) 8.450 18.850 ( 0.000 -0.901 -2.737) 2.881 18.953 ( 0.000 0.318 -7.574) 7.580 19.222 ( 0.000 -2.935 -5.003) 5.800 22.779 ( 0.000 35.924 35.431) 50.456 23.893 ( 0.000 31.121 -0.809) 31.132 24.887 ( 0.000 18.154 -10.705) 21.075 25.057 ( 0.000 -24.740 11.440) 27.257 25.437 ( 0.000 -2.965 -5.718) 6.441 25.671 ( 0.000 -2.246 -6.026) 6.431 26.188 ( 0.000 -16.749 -5.999) 17.791 26.572 ( 0.000 -13.135 -7.403) 15.078 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 2.724 9.267 9.575) 13.601 1.332 ( 1.730 7.407 4.015) 8.601 1.389 ( 2.230 4.578 5.300) 7.350 1.438 ( 1.614 0.311 1.312) 2.103 1.545 ( 1.595 2.324 2.232) 3.595 1.553 ( 1.274 0.846 -0.090) 1.532 1.669 ( -0.398 -2.532 0.022) 2.563 1.689 ( 0.441 -4.046 -2.094) 4.577 1.801 ( 1.987 4.311 0.707) 4.799 1.972 ( -2.008 4.762 0.006) 5.168 2.055 ( 15.772 1.776 3.781) 16.315 2.114 ( 7.572 -2.602 -1.410) 8.130 2.251 ( 5.022 -0.585 0.230) 5.061 2.418 ( 2.313 -2.429 -11.410) 11.893 2.539 ( 4.937 3.485 0.967) 6.120 2.695 ( 8.121 0.508 5.010) 9.556 2.764 ( 6.469 6.760 10.721) 14.229 3.044 ( 0.605 35.562 6.656) 36.185 3.160 ( -6.220 37.940 0.620) 38.451 3.259 ( -2.935 3.524 10.159) 11.147 3.358 ( 2.330 53.390 0.385) 53.442 3.384 ( 1.223 47.408 -0.430) 47.426 3.669 ( -11.859 10.057 -3.011) 15.838 3.976 ( 4.268 3.713 -5.181) 7.671 4.029 ( -15.372 -3.459 -9.179) 18.235 4.307 ( 1.974 -2.655 -9.831) 10.373 4.537 ( -10.815 -0.760 -5.815) 12.303 4.669 ( -8.199 1.754 -5.560) 10.060 4.830 ( -1.137 3.007 3.369) 4.657 4.939 ( -1.203 -3.927 0.989) 4.225 5.037 ( 5.557 -9.854 -3.057) 11.719 5.177 ( 1.428 -0.189 -1.824) 2.324 5.227 ( 4.972 -0.773 -1.411) 5.226 5.284 ( 2.444 -8.775 4.708) 10.254 5.407 ( -0.771 -5.210 0.381) 5.281 5.655 ( 1.361 -4.576 -2.720) 5.495 6.139 ( 6.621 11.518 7.371) 15.193 6.179 ( -0.634 9.644 -1.786) 9.828 6.333 ( -6.947 21.962 -0.499) 23.040 6.493 ( -2.439 3.904 3.114) 5.558 6.621 ( -7.293 -1.096 3.625) 8.217 6.807 ( -8.118 1.256 -2.492) 8.584 6.996 ( 8.421 0.330 2.717) 8.854 7.098 ( 2.233 2.935 1.461) 3.967 7.293 ( 13.905 -4.773 -2.843) 14.974 7.420 ( 0.815 -6.273 -1.727) 6.557 7.565 ( -0.011 1.674 -0.707) 1.817 7.642 ( 0.944 -5.058 0.634) 5.184 7.816 ( 1.106 -10.241 -4.916) 11.413 8.056 ( -1.662 -4.708 -1.866) 5.330 8.297 ( -7.283 -17.805 -2.175) 19.360 8.343 ( 1.006 -7.204 -1.592) 7.446 8.445 ( 4.354 6.698 -10.348) 13.073 8.539 ( -1.552 -5.419 -1.265) 5.777 8.795 ( 4.970 -0.983 -0.442) 5.085 9.127 ( -4.503 1.523 0.921) 4.842 9.147 ( -1.026 -2.610 6.255) 6.855 9.335 ( -4.996 -2.800 1.401) 5.896 9.490 ( 0.471 5.085 4.909) 7.084 9.536 ( 0.907 8.301 1.845) 8.551 9.933 ( 6.784 2.040 2.614) 7.551 10.014 ( 0.148 13.588 2.330) 13.787 10.298 ( -2.599 2.082 -9.287) 9.866 10.386 ( -5.823 10.055 -4.388) 12.421 10.509 ( -0.931 15.694 -0.779) 15.741 10.600 ( 1.431 4.679 4.846) 6.886 10.903 ( 7.776 14.559 -0.555) 16.514 10.951 ( -1.452 6.198 -3.584) 7.306 11.120 ( -0.346 0.115 4.343) 4.359 11.229 ( -0.838 5.965 -3.036) 6.746 11.299 ( -0.027 -5.191 -2.348) 5.697 11.486 ( -2.317 3.849 -9.613) 10.612 11.703 ( -2.454 -5.999 -8.470) 10.665 11.861 ( 0.634 -4.074 -5.063) 6.529 12.008 ( 3.527 -10.376 -6.044) 12.515 12.281 ( -2.253 -9.449 -4.124) 10.553 12.598 ( 2.736 1.412 5.927) 6.679 12.883 ( -6.923 -2.910 14.510) 16.338 13.069 ( 6.390 -11.843 3.614) 13.934 13.461 ( -3.219 -19.400 14.755) 24.585 13.836 ( 2.134 7.446 0.819) 7.789 13.906 ( 1.088 4.791 0.909) 4.996 14.182 ( 1.043 -4.465 -0.097) 4.586 14.272 ( -0.199 -6.028 1.164) 6.143 14.610 ( 6.236 11.442 5.641) 14.200 15.237 ( 16.848 -10.588 16.945) 26.136 15.571 ( -15.380 9.488 -6.590) 19.235 15.936 ( -4.588 0.770 5.526) 7.224 16.494 ( 4.198 46.730 4.625) 47.145 16.917 ( -6.589 40.744 5.979) 41.704 17.386 ( 0.084 8.100 -0.846) 8.144 17.404 ( 0.402 7.969 -0.199) 7.982 17.871 ( 6.416 17.285 -23.357) 29.757 18.258 ( -4.200 1.517 -19.719) 20.219 18.416 ( 0.517 -2.978 -14.789) 15.095 18.475 ( -1.770 9.888 -18.469) 21.024 18.660 ( 0.656 -5.940 -4.988) 7.784 18.778 ( -4.697 1.179 -6.417) 8.040 19.036 ( 5.949 -1.654 -5.203) 8.074 19.218 ( -0.591 -3.134 -4.766) 5.735 22.813 ( 4.014 36.807 34.394) 50.535 23.628 ( -23.166 35.341 9.668) 43.349 25.051 ( 10.198 4.153 -7.655) 13.411 25.107 ( 8.269 -13.549 2.741) 16.108 25.401 ( -3.967 -6.806 -2.003) 8.128 25.613 ( -5.475 -0.106 -9.276) 10.772 26.251 ( 5.982 -15.550 -6.237) 17.790 26.549 ( -2.553 -13.186 -7.383) 15.327 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 4.736 7.700 5.528) 10.596 1.318 ( -3.183 5.813 2.939) 7.250 1.414 ( 1.329 6.330 3.399) 7.307 1.438 ( -1.039 3.462 1.612) 3.958 1.559 ( 0.146 1.044 2.758) 2.953 1.565 ( -0.374 1.559 1.665) 2.312 1.679 ( 1.276 -3.118 -1.027) 3.522 1.694 ( -0.250 -3.474 -1.641) 3.851 1.852 ( 3.368 4.411 0.412) 5.565 1.917 ( -3.616 5.097 0.251) 6.255 2.196 ( 3.166 -4.714 -4.672) 7.353 2.241 ( -0.340 -3.417 -2.339) 4.154 2.476 ( 17.110 7.667 -0.050) 18.749 2.600 ( 3.153 3.274 2.816) 5.347 2.611 ( 12.637 3.962 1.600) 13.340 2.871 ( -3.290 4.703 6.280) 8.508 2.897 ( 14.176 6.195 5.213) 16.325 2.998 ( -1.854 21.420 0.181) 21.501 3.111 ( 1.322 25.885 7.758) 27.055 3.241 ( 2.612 16.637 4.850) 17.525 3.380 ( -7.147 21.145 5.008) 22.875 3.392 ( 0.832 53.302 -0.829) 53.315 3.423 ( -4.755 40.388 0.675) 40.673 3.640 ( -24.509 0.979 -3.499) 24.777 4.089 ( 8.141 0.523 -3.340) 8.815 4.260 ( -9.270 -0.746 -4.275) 10.235 4.426 ( 1.883 -2.238 -8.749) 9.225 4.519 ( -7.213 0.222 -8.312) 11.008 4.857 ( 3.303 -1.076 0.552) 3.517 4.913 ( -2.227 -3.766 0.499) 4.404 5.106 ( 2.275 -4.983 -1.831) 5.775 5.145 ( -2.604 -0.013 -0.429) 2.639 5.332 ( 4.602 -7.522 -0.990) 8.873 5.384 ( 0.120 -10.528 -1.473) 10.631 5.423 ( 8.868 -3.279 -0.456) 9.466 5.598 ( -7.616 -5.991 -3.080) 10.168 6.155 ( -0.064 16.366 -0.672) 16.380 6.190 ( -2.912 17.157 0.520) 17.410 6.360 ( 10.340 13.308 3.855) 17.288 6.479 ( 1.717 1.922 2.012) 3.270 6.511 ( -5.311 6.319 2.905) 8.751 6.610 ( -12.153 3.597 -0.904) 12.706 7.095 ( 3.599 2.986 2.372) 5.243 7.138 ( -0.229 -2.222 3.376) 4.048 7.444 ( 8.324 -10.327 0.798) 13.288 7.545 ( 2.896 -0.425 -0.034) 2.927 7.626 ( 1.993 -11.455 0.763) 11.652 7.646 ( -0.066 -6.226 0.121) 6.227 7.763 ( 2.915 -11.418 -1.035) 11.830 7.978 ( -11.496 -15.038 -1.797) 19.014 8.216 ( 3.314 -13.079 -2.534) 13.728 8.313 ( -5.219 -12.486 -3.507) 13.980 8.535 ( 5.302 10.812 -12.145) 17.103 8.572 ( 1.947 3.324 -9.089) 9.872 8.874 ( 4.554 7.086 4.877) 9.733 8.996 ( -8.548 14.170 3.296) 16.874 9.173 ( 3.884 -1.476 4.143) 5.867 9.253 ( -4.346 -2.447 3.031) 5.836 9.499 ( 1.092 2.685 2.279) 3.687 9.532 ( -1.633 6.549 1.222) 6.859 10.030 ( 2.988 5.153 0.568) 5.983 10.053 ( 2.664 8.085 -1.948) 8.733 10.254 ( -0.828 -0.290 -4.533) 4.617 10.293 ( -3.810 2.018 -1.856) 4.694 10.511 ( 1.992 11.492 0.395) 11.670 10.583 ( -4.106 5.253 2.063) 6.979 10.947 ( 3.556 6.947 -1.396) 7.928 11.000 ( 0.138 15.089 -0.696) 15.106 11.122 ( 0.771 1.303 1.042) 1.837 11.164 ( -4.190 1.930 -2.709) 5.350 11.352 ( 4.496 1.689 -4.939) 6.889 11.430 ( -3.834 5.664 -8.348) 10.792 11.725 ( 4.322 -4.431 -7.727) 9.901 11.816 ( -4.667 -3.438 -5.274) 7.837 12.101 ( 5.958 -10.871 -5.100) 13.404 12.208 ( -5.516 -10.181 -4.069) 12.273 12.667 ( 4.684 0.459 10.782) 11.764 12.763 ( -5.959 -0.406 15.739) 16.834 13.218 ( 9.219 -14.666 5.789) 18.265 13.370 ( -6.968 -17.001 9.939) 20.889 13.882 ( 2.703 6.424 1.538) 7.138 13.916 ( -0.665 5.287 1.980) 5.684 14.211 ( 2.230 -4.686 -0.888) 5.265 14.253 ( -1.977 -5.395 0.231) 5.751 14.825 ( 17.606 12.938 2.179) 21.957 15.207 ( -22.774 11.656 -2.455) 25.701 15.559 ( 16.587 -11.752 12.215) 23.716 15.803 ( -10.320 -5.214 7.901) 14.004 16.605 ( 7.950 43.452 4.781) 44.431 16.767 ( -9.311 40.378 5.416) 41.790 17.393 ( 0.649 8.456 -0.541) 8.498 17.404 ( -0.408 8.454 -0.306) 8.469 18.015 ( 8.721 8.938 -22.027) 25.321 18.160 ( -6.812 0.881 -20.487) 21.608 18.421 ( 0.347 3.464 -16.240) 16.609 18.439 ( -1.718 8.756 -16.931) 19.138 18.677 ( 1.294 -1.998 -7.642) 8.004 18.711 ( -2.660 1.273 -8.677) 9.164 19.132 ( 4.439 -2.979 -4.491) 6.982 19.193 ( -2.282 -3.366 -4.447) 6.026 22.942 ( 10.874 38.665 30.798) 50.614 23.220 ( -19.831 39.048 22.967) 49.452 25.169 ( 6.449 -18.279 7.377) 20.739 25.287 ( -3.541 -10.977 -0.518) 11.545 25.338 ( 7.893 3.814 -11.411) 14.390 25.496 ( -7.447 4.865 -14.940) 17.388 26.371 ( 6.730 -14.134 -6.808) 17.071 26.480 ( -5.030 -13.434 -7.231) 16.065 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 8.263 10.404) 13.287 1.377 ( 0.000 2.084 2.083) 2.946 1.408 ( 0.000 -1.173 1.077) 1.592 1.427 ( 0.000 0.992 4.445) 4.555 1.490 ( 0.000 0.488 8.043) 8.057 1.552 ( 0.000 -1.850 -0.363) 1.885 1.622 ( 0.000 -0.973 -1.861) 2.100 1.629 ( 0.000 -2.292 0.507) 2.347 1.907 ( 0.000 5.997 -0.552) 6.023 1.925 ( 0.000 1.332 -0.046) 1.333 1.968 ( 0.000 -0.595 -2.008) 2.095 2.036 ( 0.000 -4.166 -2.723) 4.977 2.248 ( 0.000 3.843 -4.612) 6.004 2.335 ( 0.000 -4.637 -9.654) 10.710 2.542 ( 0.000 2.694 1.569) 3.117 2.581 ( 0.000 -1.487 1.450) 2.077 2.899 ( 0.000 11.253 9.467) 14.706 3.111 ( 0.000 -10.761 9.262) 14.198 3.682 ( 0.000 26.657 -1.655) 26.708 3.844 ( 0.000 10.714 -3.232) 11.190 3.845 ( 0.000 9.561 -5.486) 11.023 3.949 ( 0.000 1.293 -6.668) 6.792 4.114 ( 0.000 22.905 -2.747) 23.069 4.172 ( 0.000 10.089 -3.622) 10.720 4.249 ( 0.000 4.461 -7.735) 8.929 4.272 ( 0.000 24.343 -3.252) 24.560 4.613 ( 0.000 -11.089 0.537) 11.102 4.662 ( 0.000 -17.696 -2.746) 17.908 4.752 ( 0.000 0.992 -0.182) 1.009 4.830 ( 0.000 -2.266 -5.493) 5.942 4.838 ( 0.000 -4.491 -2.287) 5.040 4.979 ( 0.000 -7.468 3.972) 8.458 5.254 ( 0.000 1.399 0.922) 1.675 5.279 ( 0.000 0.271 7.113) 7.118 5.437 ( 0.000 5.698 2.680) 6.297 5.548 ( 0.000 -4.576 -0.676) 4.626 6.282 ( 0.000 9.916 8.521) 13.074 6.301 ( 0.000 4.912 0.966) 5.006 6.593 ( 0.000 -4.297 0.355) 4.312 6.622 ( 0.000 7.373 -1.000) 7.440 6.704 ( 0.000 -9.361 5.273) 10.744 6.748 ( 0.000 0.475 -5.029) 5.051 6.933 ( 0.000 6.188 -1.959) 6.490 7.039 ( 0.000 -6.807 -1.888) 7.064 7.369 ( 0.000 20.584 7.764) 21.999 7.423 ( 0.000 3.032 -0.558) 3.083 7.500 ( 0.000 -3.705 6.287) 7.297 7.624 ( 0.000 4.611 -2.698) 5.342 7.675 ( 0.000 -5.019 -7.492) 9.017 7.895 ( 0.000 -23.253 1.408) 23.296 8.054 ( 0.000 -9.019 -3.463) 9.661 8.056 ( 0.000 -10.197 7.786) 12.829 8.490 ( 0.000 1.809 -0.853) 2.000 8.614 ( 0.000 -8.630 -4.851) 9.900 8.693 ( 0.000 16.156 -10.599) 19.323 8.934 ( 0.000 -10.957 -1.862) 11.115 9.176 ( 0.000 0.661 7.402) 7.431 9.240 ( 0.000 -6.913 1.572) 7.089 9.615 ( 0.000 4.897 8.908) 10.165 9.680 ( 0.000 -0.071 7.998) 7.998 9.913 ( 0.000 10.807 -1.894) 10.972 10.134 ( 0.000 -8.524 -1.188) 8.606 10.470 ( 0.000 11.575 2.927) 11.940 10.553 ( 0.000 0.484 8.408) 8.422 10.724 ( 0.000 7.129 -0.552) 7.150 10.787 ( 0.000 8.469 -3.811) 9.287 11.079 ( 0.000 -2.303 -3.392) 4.100 11.113 ( 0.000 7.145 -5.597) 9.076 11.150 ( 0.000 17.269 -6.204) 18.349 11.205 ( 0.000 -4.088 -8.394) 9.336 11.389 ( 0.000 9.571 -1.006) 9.624 11.424 ( 0.000 -6.786 -7.093) 9.817 11.596 ( 0.000 -11.614 -4.862) 12.591 11.657 ( 0.000 -10.625 -7.347) 12.918 11.949 ( 0.000 5.713 -4.493) 7.268 12.113 ( 0.000 -10.285 -4.547) 11.245 12.665 ( 0.000 6.584 1.939) 6.863 12.787 ( 0.000 -7.253 1.954) 7.512 12.979 ( 0.000 2.790 13.613) 13.896 13.148 ( 0.000 -14.633 17.109) 22.513 13.974 ( 0.000 8.300 -0.778) 8.336 13.983 ( 0.000 4.786 0.425) 4.804 14.085 ( 0.000 -4.531 1.931) 4.925 14.139 ( 0.000 -7.708 0.837) 7.753 14.754 ( 0.000 10.074 11.409) 15.220 14.927 ( 0.000 -8.249 16.021) 18.020 15.863 ( 0.000 6.999 -3.768) 7.949 15.965 ( 0.000 -3.481 1.471) 3.779 17.250 ( 0.000 33.291 0.181) 33.291 17.519 ( 0.000 4.488 -5.313) 6.955 17.555 ( 0.000 7.218 -6.208) 9.521 17.714 ( 0.000 33.881 6.422) 34.485 17.736 ( 0.000 -14.833 -12.956) 19.695 18.240 ( 0.000 -22.381 5.012) 22.936 18.304 ( 0.000 0.544 -3.540) 3.582 18.426 ( 0.000 -7.114 2.952) 7.702 18.838 ( 0.000 13.801 -24.483) 28.105 18.910 ( 0.000 8.744 -11.992) 14.841 18.939 ( 0.000 -2.041 -11.733) 11.910 19.122 ( 0.000 -8.493 -10.354) 13.392 23.585 ( 0.000 47.589 25.096) 53.801 24.438 ( 0.000 -40.973 16.496) 44.169 24.533 ( 0.000 34.866 0.595) 34.871 25.112 ( 0.000 -24.015 3.713) 24.300 25.322 ( 0.000 23.416 -6.977) 24.433 25.797 ( 0.000 -24.482 -6.705) 25.384 25.865 ( 0.000 18.494 -16.076) 24.505 26.249 ( 0.000 -20.500 -11.245) 23.381 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.20 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 1.342 6.323 4.610) 7.940 1.399 ( 0.575 -2.197 1.782) 2.886 1.445 ( 1.361 3.802 1.273) 4.234 1.476 ( 2.934 2.271 3.947) 5.417 1.546 ( 3.199 -0.111 6.129) 6.914 1.570 ( 2.601 -0.814 0.265) 2.738 1.626 ( -0.327 -1.740 1.208) 2.144 1.629 ( 0.797 -1.551 -0.621) 1.851 1.911 ( 1.923 6.628 -1.932) 7.166 2.023 ( 4.922 -3.815 -1.439) 6.392 2.043 ( 4.728 1.426 -1.599) 5.191 2.081 ( 9.048 -1.169 1.809) 9.301 2.274 ( 7.064 3.500 -3.927) 8.808 2.354 ( 4.781 -4.231 -9.247) 11.237 2.611 ( 6.679 3.694 1.809) 7.844 2.668 ( 8.831 -2.363 2.638) 9.515 2.919 ( 2.015 9.592 9.516) 13.661 3.101 ( -1.161 -9.343 9.652) 13.483 3.637 ( -9.817 18.841 -5.155) 21.861 3.747 ( -1.406 22.306 0.249) 22.352 3.814 ( -10.677 0.170 -4.884) 11.743 3.957 ( 3.272 1.702 -7.006) 7.918 4.075 ( -7.446 15.046 -3.026) 17.058 4.157 ( 1.445 22.508 -1.315) 22.593 4.251 ( 0.039 16.221 -4.826) 16.923 4.307 ( 3.024 9.692 -4.527) 11.116 4.488 ( -10.775 -3.626 -4.114) 12.090 4.646 ( -7.869 -10.365 -3.808) 13.559 4.703 ( 0.523 -6.226 -1.640) 6.459 4.839 ( 3.076 -2.928 0.287) 4.256 4.879 ( 3.100 -2.503 -0.538) 4.021 5.025 ( 2.574 -10.182 1.927) 10.678 5.231 ( -1.923 0.373 5.700) 6.028 5.246 ( 0.093 -0.721 0.503) 0.884 5.431 ( -1.392 4.901 1.416) 5.288 5.556 ( -1.057 -6.562 -0.981) 6.719 6.298 ( 2.625 5.916 2.033) 6.784 6.354 ( 4.047 4.091 3.249) 6.609 6.569 ( -0.035 4.448 1.571) 4.718 6.602 ( -3.228 6.525 -3.736) 8.183 6.683 ( -1.712 5.386 -1.628) 5.882 6.840 ( 4.667 -0.813 1.437) 4.951 6.965 ( 4.882 0.845 2.275) 5.452 7.054 ( 2.716 -13.173 -1.317) 13.514 7.281 ( -6.686 15.822 6.951) 18.530 7.371 ( -4.338 3.622 2.671) 6.251 7.492 ( -1.921 -8.416 5.698) 10.343 7.633 ( 0.552 -0.493 -3.342) 3.423 7.714 ( 1.257 -4.988 -3.620) 6.290 7.822 ( -5.654 -14.488 0.642) 15.565 7.953 ( -4.714 -7.156 0.628) 8.592 8.095 ( -1.083 -14.426 -0.771) 14.487 8.547 ( 6.366 6.243 -1.661) 9.070 8.684 ( 4.122 0.325 -3.706) 5.553 8.761 ( 7.817 4.727 -5.209) 10.516 8.929 ( -1.021 -9.753 2.494) 10.118 9.196 ( 2.427 2.370 5.052) 6.086 9.274 ( 5.069 -4.441 -1.159) 6.838 9.614 ( -0.514 5.302 7.509) 9.206 9.665 ( -2.055 1.813 5.864) 6.473 9.956 ( 4.335 7.163 0.529) 8.389 10.137 ( 0.252 -7.117 -0.115) 7.122 10.375 ( -8.637 9.449 -0.245) 12.804 10.467 ( -9.272 -0.347 4.641) 10.374 10.726 ( -0.261 7.743 -1.027) 7.815 10.789 ( 0.419 8.675 -4.903) 9.974 10.989 ( -5.252 -1.148 -5.581) 7.749 11.092 ( -2.909 -4.460 -4.310) 6.850 11.215 ( 2.323 7.012 -4.908) 8.868 11.263 ( 6.277 14.925 -2.076) 16.324 11.429 ( 3.954 8.815 -3.956) 10.440 11.459 ( 4.305 -3.497 -6.778) 8.758 11.573 ( -1.371 -8.589 -4.833) 9.951 11.720 ( 5.528 -13.251 -6.676) 15.835 11.911 ( -4.076 4.825 -4.157) 7.561 12.083 ( -3.476 -11.119 -4.623) 12.533 12.683 ( 2.280 6.860 4.061) 8.292 12.830 ( 4.314 -7.530 2.827) 9.127 12.937 ( -3.698 3.914 14.415) 15.387 13.135 ( -1.973 -15.002 14.096) 20.680 13.976 ( 0.827 6.721 -0.454) 6.787 14.006 ( 1.638 5.830 0.530) 6.079 14.093 ( 0.821 -4.696 1.060) 4.884 14.147 ( 0.501 -7.131 1.237) 7.255 14.831 ( 8.821 11.742 10.472) 18.038 15.041 ( 12.021 -10.732 15.033) 22.038 15.744 ( -12.825 8.705 -1.966) 15.625 15.882 ( -9.088 -5.703 2.963) 11.130 17.265 ( 1.711 31.666 -0.535) 31.717 17.490 ( -3.521 10.335 -4.503) 11.810 17.546 ( -0.916 6.288 -6.169) 8.857 17.611 ( -4.516 8.769 -1.916) 10.048 17.862 ( 7.687 5.729 -5.009) 10.817 18.241 ( -2.825 -6.510 -1.107) 7.182 18.264 ( -0.849 -12.542 2.035) 12.735 18.406 ( -2.306 -9.679 2.403) 10.236 18.851 ( 1.263 14.309 -23.774) 27.777 18.895 ( -0.374 9.979 -14.174) 17.338 18.989 ( 3.646 -3.374 -10.967) 12.039 19.116 ( -0.692 -8.354 -10.586) 13.503 23.630 ( 5.135 47.799 24.104) 53.779 24.348 ( -16.576 38.590 6.259) 42.463 24.481 ( 4.514 -39.918 15.951) 43.223 25.009 ( -10.252 -29.619 7.026) 32.120 25.442 ( 10.671 22.841 -11.079) 27.538 25.824 ( -1.154 11.341 -14.305) 18.292 25.899 ( 6.304 -15.142 -9.647) 19.029 26.226 ( -2.581 -20.477 -11.120) 23.444 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.40 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 3.308 5.379 2.662) 6.853 1.413 ( -0.745 3.247 1.965) 3.868 1.447 ( 0.347 -0.979 0.997) 1.439 1.475 ( -1.541 -0.239 0.805) 1.755 1.575 ( 1.275 1.647 2.966) 3.624 1.601 ( -0.953 1.759 2.317) 3.061 1.623 ( 1.114 -2.787 1.263) 3.256 1.639 ( -0.218 -2.256 0.500) 2.321 1.964 ( 3.660 6.969 -2.655) 8.308 2.032 ( -3.374 6.773 -2.383) 7.933 2.092 ( 3.632 -6.405 -4.477) 8.617 2.153 ( -2.208 -5.827 -3.145) 6.980 2.585 ( 19.138 4.031 1.535) 19.618 2.621 ( 18.912 0.027 2.161) 19.035 2.720 ( 2.986 6.043 2.368) 7.144 2.825 ( 2.643 -4.853 4.659) 7.228 3.001 ( 10.748 5.758 5.823) 13.512 3.109 ( 6.916 -5.169 6.102) 10.573 3.329 ( -21.387 10.493 -3.225) 24.039 3.475 ( -24.565 -4.755 -2.882) 25.187 3.795 ( 4.682 26.822 1.559) 27.272 3.910 ( -8.167 23.362 1.304) 24.783 4.056 ( 7.083 -0.954 -6.791) 9.858 4.183 ( -2.081 4.455 -3.435) 5.998 4.227 ( -1.261 23.466 -4.002) 23.839 4.282 ( -6.979 15.524 -4.538) 17.615 4.395 ( 4.966 -0.839 -5.909) 7.764 4.505 ( -6.907 -3.576 -5.423) 9.481 4.759 ( 4.432 -1.366 -0.733) 4.695 4.832 ( -3.054 1.929 1.375) 3.865 4.961 ( 4.757 -10.134 -0.193) 11.197 5.029 ( -2.289 -10.648 0.187) 10.893 5.259 ( 4.377 0.278 2.909) 5.263 5.305 ( 4.831 -1.444 -1.021) 5.144 5.380 ( -2.476 -0.942 0.978) 2.824 5.477 ( -7.299 -7.772 -1.318) 10.743 6.373 ( 5.251 7.153 -2.465) 9.210 6.425 ( 2.980 3.087 -0.846) 4.373 6.512 ( -4.561 3.718 -3.710) 6.956 6.544 ( -4.223 -0.616 -1.620) 4.564 6.711 ( 5.843 21.602 2.206) 22.487 6.830 ( -5.291 17.203 2.733) 18.205 7.070 ( 5.693 -7.063 3.178) 9.612 7.125 ( 0.806 -9.539 1.640) 9.713 7.228 ( 2.524 -0.614 7.383) 7.827 7.306 ( -3.577 -4.188 6.268) 8.344 7.449 ( 0.994 -15.212 6.258) 16.479 7.571 ( -8.576 -23.006 2.645) 24.695 7.704 ( 2.106 8.879 -2.072) 9.357 7.762 ( -3.230 9.741 -3.042) 10.704 7.945 ( 3.632 -14.118 -3.261) 14.938 8.032 ( -4.994 -15.699 -3.305) 16.803 8.668 ( 5.417 8.852 -1.310) 10.460 8.719 ( -0.274 8.183 -2.405) 8.534 8.880 ( 3.302 -8.841 3.992) 10.247 8.906 ( -0.954 -10.282 5.756) 11.822 9.310 ( 10.195 11.343 0.127) 15.252 9.410 ( 6.538 5.646 -1.783) 8.821 9.553 ( -5.103 3.901 3.109) 7.136 9.608 ( -4.584 0.675 3.130) 5.591 10.060 ( 6.979 2.075 2.580) 7.725 10.149 ( 1.706 -3.942 1.269) 4.479 10.208 ( -8.458 2.344 -1.139) 8.850 10.272 ( -10.215 -2.931 0.392) 10.635 10.733 ( 1.692 11.185 -3.578) 11.864 10.778 ( -2.272 12.590 -5.708) 14.008 10.948 ( 1.417 -8.576 -4.838) 9.948 11.015 ( -4.830 -9.901 -5.706) 12.406 11.274 ( 3.443 13.963 -1.848) 14.500 11.314 ( -0.392 15.621 -0.928) 15.653 11.490 ( 2.846 -1.229 -7.060) 7.711 11.530 ( -1.163 0.842 -7.276) 7.417 11.620 ( 9.329 0.406 -2.684) 9.716 11.778 ( -5.740 3.742 -2.496) 7.293 11.864 ( 5.234 -13.106 -5.502) 15.147 11.989 ( -6.696 -12.749 -4.606) 15.119 12.749 ( 4.767 8.144 8.069) 12.416 12.839 ( -4.614 8.602 11.523) 15.102 12.954 ( 6.515 -12.923 6.850) 16.012 13.068 ( -5.327 -14.772 10.009) 18.621 14.003 ( 1.761 6.271 0.429) 6.528 14.023 ( -0.114 6.065 1.297) 6.204 14.115 ( 1.639 -5.477 -0.014) 5.717 14.143 ( -1.070 -6.244 0.790) 6.384 15.075 ( 17.739 13.514 7.279) 23.458 15.323 ( 17.968 -13.001 11.669) 25.061 15.432 ( -20.203 11.997 2.487) 23.628 15.646 ( -16.473 -10.490 6.930) 20.723 17.314 ( 3.746 27.416 -1.860) 27.733 17.400 ( -5.489 21.173 -2.938) 22.070 17.539 ( 0.396 3.611 -5.138) 6.293 17.560 ( -1.801 3.445 -3.795) 5.433 18.002 ( 7.690 4.950 -4.814) 10.335 18.135 ( -6.969 3.723 -4.318) 9.005 18.296 ( 2.745 -17.563 3.476) 18.112 18.352 ( -3.288 -13.492 2.423) 14.097 18.876 ( 1.277 14.126 -21.440) 25.708 18.892 ( -0.377 12.449 -17.796) 21.721 19.050 ( 2.990 -6.111 -10.912) 12.859 19.094 ( -1.812 -7.705 -10.923) 13.489 23.777 ( 11.218 47.530 20.827) 53.091 24.032 ( -16.730 44.885 14.664) 50.096 24.605 ( 9.049 -38.839 14.447) 42.416 24.799 ( -11.926 -35.227 11.324) 38.877 25.629 ( 9.144 20.653 -14.441) 26.809 25.761 ( -5.404 19.502 -15.655) 25.586 26.036 ( 7.598 -20.966 -9.696) 24.317 26.155 ( -5.320 -20.564 -10.663) 23.767 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 0.000 11.924) 11.924 1.310 ( 0.000 0.000 -1.018) 1.018 1.332 ( 0.000 0.000 21.191) 21.191 1.348 ( 0.000 0.000 7.359) 7.359 1.479 ( 0.000 0.000 1.703) 1.703 1.510 ( 0.000 0.000 0.874) 0.874 1.526 ( 0.000 0.000 -0.083) 0.083 1.593 ( 0.000 0.000 0.657) 0.657 1.677 ( 0.000 0.000 -3.742) 3.742 1.799 ( 0.000 0.000 -1.434) 1.434 1.808 ( 0.000 0.000 -6.104) 6.104 1.839 ( 0.000 0.000 -2.890) 2.890 1.965 ( 0.000 0.000 -4.801) 4.801 2.013 ( 0.000 0.000 5.387) 5.387 2.048 ( 0.000 0.000 12.535) 12.535 2.236 ( 0.000 0.000 -9.299) 9.299 2.303 ( 0.000 0.000 -4.972) 4.972 2.350 ( 0.000 0.000 -7.047) 7.047 2.514 ( 0.000 0.000 26.532) 26.532 2.599 ( 0.000 0.000 -4.390) 4.390 3.277 ( 0.000 0.000 -14.875) 14.875 3.614 ( 0.000 0.000 3.035) 3.035 3.676 ( 0.000 0.000 -8.209) 8.209 3.744 ( 0.000 0.000 12.700) 12.700 3.953 ( 0.000 0.000 7.190) 7.190 4.210 ( 0.000 0.000 -17.903) 17.903 4.257 ( 0.000 0.000 -2.114) 2.114 4.595 ( 0.000 0.000 -4.922) 4.922 4.628 ( 0.000 0.000 2.485) 2.485 4.662 ( 0.000 0.000 0.218) 0.218 5.166 ( 0.000 0.000 6.917) 6.917 5.212 ( 0.000 0.000 7.177) 7.177 5.503 ( 0.000 0.000 -2.768) 2.768 5.569 ( 0.000 0.000 6.773) 6.773 5.705 ( 0.000 0.000 3.091) 3.091 5.719 ( 0.000 0.000 1.263) 1.263 5.746 ( 0.000 0.000 3.807) 3.807 5.795 ( 0.000 0.000 -3.605) 3.605 5.868 ( 0.000 0.000 -3.935) 3.935 6.183 ( 0.000 0.000 6.266) 6.266 6.256 ( 0.000 0.000 -8.885) 8.885 6.520 ( 0.000 0.000 0.342) 0.342 7.046 ( 0.000 0.000 1.753) 1.753 7.062 ( 0.000 0.000 -0.437) 0.437 7.267 ( 0.000 0.000 -1.034) 1.034 7.470 ( 0.000 0.000 2.928) 2.928 7.509 ( 0.000 0.000 -7.075) 7.075 7.621 ( 0.000 0.000 -9.448) 9.448 7.909 ( 0.000 0.000 -8.940) 8.940 8.164 ( 0.000 0.000 0.207) 0.207 8.318 ( 0.000 0.000 -10.257) 10.257 8.354 ( 0.000 0.000 -2.396) 2.396 8.556 ( 0.000 0.000 6.396) 6.396 8.715 ( 0.000 0.000 7.969) 7.969 9.111 ( 0.000 0.000 0.275) 0.275 9.138 ( 0.000 0.000 -4.331) 4.331 9.156 ( 0.000 0.000 -5.092) 5.092 9.282 ( 0.000 0.000 13.687) 13.687 9.322 ( 0.000 0.000 -0.057) 0.057 9.344 ( 0.000 0.000 5.624) 5.624 9.645 ( 0.000 0.000 -11.577) 11.577 9.823 ( 0.000 0.000 -2.173) 2.173 9.850 ( 0.000 0.000 2.286) 2.286 10.101 ( 0.000 0.000 -7.357) 7.357 10.341 ( 0.000 0.000 8.120) 8.120 10.634 ( 0.000 0.000 6.988) 6.988 10.896 ( 0.000 0.000 14.456) 14.456 10.935 ( 0.000 0.000 -5.432) 5.432 11.092 ( 0.000 0.000 -5.218) 5.218 11.114 ( 0.000 0.000 -5.938) 5.938 11.234 ( 0.000 0.000 1.822) 1.822 11.271 ( 0.000 0.000 -3.179) 3.179 11.774 ( 0.000 0.000 -6.056) 6.056 11.842 ( 0.000 0.000 -2.165) 2.165 12.067 ( 0.000 0.000 -5.941) 5.941 12.313 ( 0.000 0.000 -11.470) 11.470 12.799 ( 0.000 0.000 10.836) 10.836 13.263 ( 0.000 0.000 -3.147) 3.147 13.393 ( 0.000 0.000 13.685) 13.685 13.623 ( 0.000 0.000 1.150) 1.150 13.665 ( 0.000 0.000 -2.153) 2.153 14.171 ( 0.000 0.000 -7.217) 7.217 14.313 ( 0.000 0.000 4.277) 4.277 14.387 ( 0.000 0.000 8.779) 8.779 14.805 ( 0.000 0.000 -4.429) 4.429 15.193 ( 0.000 0.000 -15.043) 15.043 15.359 ( 0.000 0.000 3.523) 3.523 15.616 ( 0.000 0.000 -3.819) 3.819 15.734 ( 0.000 0.000 32.047) 32.047 16.050 ( 0.000 0.000 2.164) 2.164 16.181 ( 0.000 0.000 -1.674) 1.674 17.375 ( 0.000 0.000 -22.203) 22.203 17.387 ( 0.000 0.000 6.980) 6.980 17.411 ( 0.000 0.000 5.882) 5.882 17.993 ( 0.000 0.000 -23.547) 23.547 18.235 ( 0.000 0.000 -21.690) 21.690 18.868 ( 0.000 0.000 -1.435) 1.435 18.875 ( 0.000 0.000 1.181) 1.181 18.995 ( 0.000 0.000 3.922) 3.922 19.208 ( 0.000 0.000 -3.253) 3.253 22.913 ( 0.000 0.000 36.468) 36.468 23.502 ( 0.000 0.000 11.277) 11.277 24.294 ( 0.000 0.000 -15.575) 15.575 24.850 ( 0.000 0.000 -28.401) 28.401 25.676 ( 0.000 0.000 11.480) 11.480 26.048 ( 0.000 0.000 11.265) 11.265 26.341 ( 0.000 0.000 -8.827) 8.827 26.649 ( 0.000 0.000 -7.630) 7.630 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.787 0.000 11.217) 11.244 1.299 ( -0.435 0.000 3.223) 3.253 1.332 ( -1.718 0.000 7.654) 7.845 1.350 ( 0.173 0.000 14.818) 14.819 1.482 ( 0.429 0.000 1.389) 1.454 1.517 ( 1.274 0.000 -0.215) 1.292 1.522 ( -0.497 0.000 0.033) 0.498 1.580 ( -0.847 0.000 0.003) 0.847 1.701 ( 2.327 0.000 -1.093) 2.570 1.801 ( -0.035 0.000 -1.844) 1.844 1.812 ( 0.607 0.000 -5.716) 5.748 1.846 ( 0.005 0.000 -4.762) 4.762 1.959 ( -0.204 0.000 -3.875) 3.881 2.037 ( -1.081 0.000 10.627) 10.682 2.204 ( 8.056 0.000 -2.456) 8.422 2.216 ( 0.179 0.000 -10.741) 10.742 2.288 ( 10.703 0.000 3.977) 11.418 2.387 ( 3.899 0.000 -6.736) 7.784 2.604 ( 7.979 0.000 20.521) 22.018 2.796 ( 17.515 0.000 -1.935) 17.622 3.086 ( -13.781 0.000 -3.122) 14.130 3.449 ( -10.539 0.000 0.086) 10.539 3.682 ( -7.342 0.000 12.048) 14.109 3.889 ( -9.043 0.000 3.588) 9.729 3.891 ( 13.503 0.000 -5.201) 14.470 4.209 ( -0.177 0.000 -15.887) 15.888 4.232 ( -0.723 0.000 0.883) 1.141 4.537 ( -6.240 0.000 -4.663) 7.790 4.715 ( 8.806 0.000 2.817) 9.246 4.909 ( 18.670 0.000 -4.412) 19.184 5.131 ( -2.047 0.000 6.897) 7.195 5.249 ( 3.562 0.000 4.015) 5.367 5.404 ( -9.321 0.000 0.623) 9.341 5.494 ( -3.230 0.000 7.264) 7.950 5.685 ( -3.635 0.000 -4.180) 5.540 5.719 ( -0.320 0.000 -2.461) 2.481 5.764 ( 1.984 0.000 2.339) 3.068 5.851 ( 7.514 0.000 4.648) 8.835 5.940 ( 4.376 0.000 -4.422) 6.222 6.267 ( -0.156 0.000 -6.992) 6.993 6.374 ( 19.293 0.000 0.413) 19.298 6.459 ( -4.442 0.000 1.290) 4.626 6.963 ( -6.742 0.000 1.629) 6.936 7.006 ( -10.404 0.000 -1.723) 10.546 7.156 ( -9.589 0.000 -2.828) 9.998 7.388 ( 1.457 0.000 -2.264) 2.692 7.581 ( -4.481 0.000 -8.198) 9.343 7.642 ( 5.743 0.000 -1.071) 5.842 8.031 ( 10.862 0.000 -7.070) 12.960 8.093 ( -5.367 0.000 -0.907) 5.443 8.350 ( -0.172 0.000 -4.964) 4.967 8.424 ( 7.778 0.000 -14.331) 16.306 8.542 ( 0.942 0.000 9.774) 9.819 8.690 ( -8.489 0.000 6.034) 10.415 8.857 ( -16.571 0.000 -0.569) 16.581 9.009 ( -8.603 0.000 1.285) 8.698 9.106 ( -4.081 0.000 -4.386) 5.991 9.204 ( -4.938 0.000 8.232) 9.600 9.338 ( 7.019 0.000 1.468) 7.171 9.623 ( 15.460 0.000 2.946) 15.738 9.779 ( -3.534 0.000 -0.557) 3.577 9.835 ( 12.076 0.000 -5.909) 13.444 9.872 ( 2.432 0.000 2.440) 3.446 10.075 ( -2.683 0.000 -3.413) 4.341 10.344 ( 1.621 0.000 2.797) 3.233 10.661 ( 3.116 0.000 7.996) 8.582 10.890 ( -0.699 0.000 12.290) 12.310 10.927 ( -13.924 0.000 -10.287) 17.312 10.944 ( 0.973 0.000 -2.568) 2.746 11.194 ( 7.618 0.000 0.661) 7.647 11.194 ( -4.148 0.000 1.738) 4.498 11.352 ( 4.605 0.000 -3.925) 6.051 11.682 ( -6.105 0.000 -6.813) 9.148 11.807 ( -5.957 0.000 -6.168) 8.575 12.116 ( 5.588 0.000 -4.340) 7.075 12.346 ( 1.676 0.000 -8.720) 8.880 12.842 ( 4.439 0.000 9.939) 10.886 13.220 ( -4.705 0.000 1.912) 5.079 13.491 ( 11.186 0.000 10.611) 15.418 13.659 ( 4.638 0.000 1.689) 4.936 13.744 ( 6.762 0.000 -1.592) 6.947 14.129 ( -4.105 0.000 -3.909) 5.669 14.297 ( -1.853 0.000 2.429) 3.055 14.386 ( 0.843 0.000 7.077) 7.127 14.629 ( -13.918 0.000 2.901) 14.217 15.080 ( -12.226 0.000 -13.554) 18.254 15.373 ( 1.801 0.000 3.767) 4.175 15.582 ( -3.537 0.000 -2.560) 4.366 16.067 ( 1.828 0.000 1.697) 2.494 16.087 ( 31.186 0.000 15.546) 34.846 16.173 ( -0.868 0.000 -1.437) 1.679 17.310 ( -7.494 0.000 -19.623) 21.006 17.389 ( 0.341 0.000 6.647) 6.655 17.415 ( 0.254 0.000 5.732) 5.738 18.003 ( 1.203 0.000 -23.851) 23.882 18.202 ( -3.457 0.000 -22.257) 22.524 18.773 ( -5.446 0.000 -0.258) 5.452 18.835 ( -4.431 0.000 -0.340) 4.444 19.095 ( 7.050 0.000 2.180) 7.380 19.229 ( 1.680 0.000 -1.941) 2.567 22.912 ( 0.241 0.000 34.937) 34.938 23.337 ( -14.457 0.000 16.624) 22.031 24.431 ( 11.818 0.000 -19.017) 22.390 24.833 ( -1.986 0.000 -27.737) 27.808 25.705 ( 3.192 0.000 11.477) 11.912 25.998 ( -4.841 0.000 10.820) 11.854 26.386 ( 4.353 0.000 -8.241) 9.319 26.627 ( -2.367 0.000 -7.751) 8.105 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 1.847 0.000 9.787) 9.959 1.292 ( -2.404 0.000 8.485) 8.819 1.301 ( 0.796 0.000 5.233) 5.293 1.327 ( -1.896 0.000 9.301) 9.493 1.494 ( 0.807 0.000 0.887) 1.199 1.509 ( -0.820 0.000 0.427) 0.924 1.551 ( 1.761 0.000 -0.551) 1.845 1.570 ( -0.493 0.000 -0.282) 0.568 1.750 ( 2.740 0.000 0.001) 2.740 1.789 ( -1.436 0.000 -1.429) 2.025 1.826 ( 0.828 0.000 -5.514) 5.576 1.839 ( -0.595 0.000 -5.232) 5.266 1.971 ( 1.533 0.000 0.059) 1.534 2.007 ( -2.145 0.000 6.296) 6.651 2.191 ( 0.020 0.000 -8.182) 8.182 2.207 ( -1.443 0.000 -9.692) 9.799 2.490 ( 7.507 0.000 -6.493) 9.926 2.640 ( -6.833 0.000 -2.324) 7.217 2.772 ( 30.205 0.000 6.988) 31.003 3.018 ( 8.625 0.000 15.021) 17.321 3.089 ( 6.938 0.000 3.374) 7.714 3.237 ( -12.803 0.000 7.483) 14.829 3.483 ( -9.438 0.000 6.797) 11.631 3.630 ( -16.572 0.000 2.776) 16.803 4.107 ( 9.064 0.000 -5.573) 10.640 4.198 ( -1.756 0.000 -10.531) 10.676 4.275 ( 5.082 0.000 1.280) 5.241 4.398 ( -8.037 0.000 -2.446) 8.401 4.882 ( 8.943 0.000 3.071) 9.456 5.031 ( -5.383 0.000 1.706) 5.647 5.138 ( 3.494 0.000 4.040) 5.342 5.238 ( -7.227 0.000 3.122) 7.872 5.410 ( 12.020 0.000 -5.283) 13.130 5.521 ( 5.837 0.000 4.150) 7.162 5.587 ( -7.314 0.000 -6.325) 9.670 5.654 ( -6.908 0.000 -0.850) 6.960 5.859 ( 7.485 0.000 2.420) 7.867 5.973 ( -2.750 0.000 -0.742) 2.849 6.014 ( 10.585 0.000 1.903) 10.755 6.197 ( -8.022 0.000 -2.237) 8.328 6.454 ( 7.499 0.000 0.747) 7.536 6.707 ( -15.645 0.000 -4.617) 16.312 6.837 ( 25.250 0.000 -6.261) 26.015 6.902 ( 1.195 0.000 -1.315) 1.777 6.991 ( -7.773 0.000 -3.425) 8.494 7.283 ( -19.217 0.000 -15.490) 24.683 7.589 ( 7.451 0.000 4.877) 8.905 7.683 ( -1.583 0.000 1.213) 1.994 8.083 ( 6.247 0.000 -4.372) 7.625 8.233 ( 10.565 0.000 -4.694) 11.561 8.295 ( -11.884 0.000 -9.994) 15.528 8.395 ( -6.982 0.000 -4.344) 8.223 8.477 ( -1.969 0.000 3.658) 4.154 8.596 ( -11.715 0.000 -0.841) 11.746 8.732 ( 14.541 0.000 -2.236) 14.712 8.971 ( -10.909 0.000 -4.357) 11.747 9.017 ( 5.069 0.000 8.643) 10.020 9.115 ( -5.253 0.000 10.301) 11.563 9.487 ( 8.856 0.000 -2.013) 9.082 9.641 ( -7.667 0.000 -1.944) 7.909 9.888 ( 9.562 0.000 3.818) 10.296 9.934 ( 4.220 0.000 2.882) 5.110 9.968 ( 1.476 0.000 0.674) 1.623 10.013 ( -4.112 0.000 1.810) 4.492 10.439 ( 9.193 0.000 -5.235) 10.580 10.661 ( -14.501 0.000 -9.046) 17.092 10.745 ( 5.886 0.000 8.689) 10.495 10.848 ( -4.512 0.000 8.010) 9.193 10.991 ( 4.750 0.000 2.799) 5.513 11.097 ( -6.190 0.000 1.794) 6.444 11.328 ( 6.053 0.000 -0.404) 6.066 11.390 ( -0.663 0.000 -2.242) 2.338 11.618 ( -0.140 0.000 -9.130) 9.131 11.680 ( -6.381 0.000 -9.282) 11.263 12.232 ( 6.412 0.000 -3.154) 7.146 12.328 ( -3.684 0.000 -4.760) 6.019 12.955 ( 7.857 0.000 8.043) 11.244 13.103 ( -7.835 0.000 5.878) 9.794 13.763 ( 16.724 0.000 9.313) 19.142 13.769 ( 6.206 0.000 2.491) 6.687 13.831 ( 0.758 0.000 1.016) 1.267 14.013 ( -9.787 0.000 4.776) 10.890 14.282 ( 1.916 0.000 -1.388) 2.366 14.398 ( -10.619 0.000 0.279) 10.623 14.485 ( 11.813 0.000 0.392) 11.820 14.785 ( -18.820 0.000 -7.810) 20.376 15.424 ( 3.751 0.000 2.464) 4.488 15.503 ( -4.704 0.000 0.102) 4.705 16.108 ( 2.439 0.000 0.517) 2.493 16.148 ( -1.871 0.000 -0.663) 1.985 16.659 ( 29.217 0.000 -1.209) 29.242 17.087 ( -17.739 0.000 -12.383) 21.634 17.401 ( 0.804 0.000 6.017) 6.071 17.413 ( -0.463 0.000 5.641) 5.660 18.042 ( 3.360 0.000 -24.155) 24.387 18.121 ( -4.984 0.000 -23.496) 24.019 18.718 ( -0.421 0.000 -1.114) 1.191 18.753 ( -3.876 0.000 -1.437) 4.134 19.200 ( 4.225 0.000 1.077) 4.360 19.243 ( -0.568 0.000 -0.191) 0.599 22.947 ( 4.387 0.000 30.972) 31.281 23.089 ( -11.429 0.000 24.906) 27.403 24.635 ( 9.696 0.000 -23.439) 25.366 24.770 ( -5.318 0.000 -26.091) 26.628 25.786 ( 5.499 0.000 11.346) 12.608 25.895 ( -6.230 0.000 10.980) 12.624 26.477 ( 5.259 0.000 -8.035) 9.603 26.565 ( -4.320 0.000 -7.960) 9.057 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 2.705 2.884) 3.954 1.365 ( 0.000 3.469 18.303) 18.629 1.372 ( 0.000 7.643 8.916) 11.743 1.463 ( 0.000 4.081 5.018) 6.467 1.481 ( 0.000 1.640 2.105) 2.668 1.567 ( 0.000 2.037 2.116) 2.937 1.655 ( 0.000 0.428 -4.052) 4.075 1.719 ( 0.000 -1.858 -0.661) 1.972 1.777 ( 0.000 -0.068 -0.843) 0.846 1.909 ( 0.000 5.569 -0.029) 5.569 1.940 ( 0.000 7.762 1.649) 7.935 2.019 ( 0.000 2.172 3.428) 4.058 2.203 ( 0.000 13.879 -8.891) 16.483 2.210 ( 0.000 24.720 -1.802) 24.785 2.240 ( 0.000 34.280 -1.234) 34.303 2.303 ( 0.000 22.274 -2.525) 22.416 2.394 ( 0.000 3.812 -6.548) 7.577 2.470 ( 0.000 39.175 3.501) 39.331 2.599 ( 0.000 0.726 -4.262) 4.323 2.682 ( 0.000 19.260 21.251) 28.680 3.064 ( 0.000 -11.311 1.478) 11.408 3.637 ( 0.000 2.851 1.946) 3.452 3.655 ( 0.000 -5.867 3.956) 7.077 3.721 ( 0.000 1.632 -1.962) 2.552 4.101 ( 0.000 -5.374 -8.224) 9.824 4.103 ( 0.000 4.418 -5.474) 7.034 4.391 ( 0.000 7.467 -8.734) 11.491 4.622 ( 0.000 2.236 -5.262) 5.718 4.749 ( 0.000 12.259 0.762) 12.283 4.764 ( 0.000 9.542 0.420) 9.552 5.123 ( 0.000 -6.033 5.456) 8.134 5.212 ( 0.000 -0.399 5.874) 5.888 5.264 ( 0.000 -8.389 1.383) 8.502 5.547 ( 0.000 -13.287 0.024) 13.287 5.593 ( 0.000 -8.438 -2.657) 8.847 5.598 ( 0.000 -4.901 -3.630) 6.098 5.932 ( 0.000 13.601 -3.120) 13.954 5.987 ( 0.000 14.952 1.479) 15.025 6.197 ( 0.000 2.917 5.976) 6.650 6.398 ( 0.000 36.921 -0.153) 36.921 6.546 ( 0.000 11.420 2.870) 11.775 6.552 ( 0.000 24.998 -3.766) 25.280 6.915 ( 0.000 -8.283 -0.402) 8.292 6.961 ( 0.000 -7.802 -1.559) 7.957 7.153 ( 0.000 -8.715 3.242) 9.298 7.420 ( 0.000 -7.479 -4.946) 8.967 7.615 ( 0.000 9.057 2.918) 9.515 7.660 ( 0.000 -2.128 -7.164) 7.473 7.892 ( 0.000 -16.162 1.428) 16.225 7.984 ( 0.000 6.859 -5.500) 8.792 8.312 ( 0.000 -4.366 -5.489) 7.014 8.381 ( 0.000 -8.592 -10.052) 13.224 8.563 ( 0.000 4.522 -1.434) 4.744 8.667 ( 0.000 -7.925 2.499) 8.310 8.876 ( 0.000 -7.539 5.105) 9.105 9.279 ( 0.000 -4.260 4.081) 5.899 9.292 ( 0.000 -0.285 1.594) 1.620 9.356 ( 0.000 13.512 -0.896) 13.541 9.384 ( 0.000 10.072 10.579) 14.607 9.543 ( 0.000 25.230 -0.084) 25.230 9.574 ( 0.000 -7.326 -7.097) 10.199 9.753 ( 0.000 4.247 0.793) 4.320 10.074 ( 0.000 13.977 -1.270) 14.035 10.188 ( 0.000 7.886 -6.327) 10.110 10.388 ( 0.000 4.964 4.601) 6.768 10.561 ( 0.000 -4.310 4.389) 6.152 10.789 ( 0.000 -7.292 6.579) 9.821 10.929 ( 0.000 -0.467 -4.707) 4.730 11.186 ( 0.000 -3.100 -0.524) 3.144 11.187 ( 0.000 7.651 0.400) 7.662 11.239 ( 0.000 9.265 -2.120) 9.504 11.310 ( 0.000 1.985 0.104) 1.987 11.713 ( 0.000 -6.186 -6.728) 9.140 11.810 ( 0.000 -3.047 -2.676) 4.055 12.009 ( 0.000 -5.981 -5.980) 8.458 12.268 ( 0.000 -4.610 -11.531) 12.418 12.739 ( 0.000 -5.438 9.164) 10.656 13.149 ( 0.000 -10.154 -3.287) 10.672 13.329 ( 0.000 -5.692 12.585) 13.813 13.684 ( 0.000 5.877 1.107) 5.980 13.741 ( 0.000 5.742 -1.189) 5.864 14.058 ( 0.000 -12.075 -4.981) 13.062 14.282 ( 0.000 -2.848 3.532) 4.537 14.430 ( 0.000 0.049 7.175) 7.175 14.577 ( 0.000 -7.457 1.317) 7.573 15.277 ( 0.000 7.921 -15.325) 17.251 15.671 ( 0.000 -2.491 27.248) 27.362 15.746 ( 0.000 34.894 8.635) 35.947 15.982 ( 0.000 19.560 7.223) 20.851 16.356 ( 0.000 30.752 3.644) 30.967 16.547 ( 0.000 40.747 -15.157) 43.474 17.311 ( 0.000 -0.980 -7.253) 7.319 17.398 ( 0.000 1.211 6.031) 6.152 17.582 ( 0.000 12.288 -16.137) 20.283 17.975 ( 0.000 -0.316 -20.207) 20.210 18.200 ( 0.000 -3.333 -19.839) 20.117 18.846 ( 0.000 -3.546 1.565) 3.876 18.858 ( 0.000 -1.107 -2.515) 2.748 18.960 ( 0.000 -3.639 3.752) 5.227 19.189 ( 0.000 -2.116 -3.773) 4.326 23.041 ( 0.000 13.960 35.435) 38.086 23.593 ( 0.000 10.766 9.923) 14.641 24.374 ( 0.000 8.968 -15.136) 17.593 24.898 ( 0.000 5.559 -27.187) 27.750 25.595 ( 0.000 -9.075 11.919) 14.980 25.988 ( 0.000 -6.865 11.114) 13.063 26.271 ( 0.000 -7.729 -8.831) 11.736 26.600 ( 0.000 -5.801 -8.067) 9.936 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.200 1.634 4.025) 4.349 1.307 ( -0.644 5.688 13.203) 14.390 1.422 ( -1.243 4.942 7.842) 9.352 1.449 ( -1.623 6.125 5.800) 8.590 1.493 ( 2.824 0.976 0.563) 3.041 1.561 ( -0.576 2.041 0.658) 2.221 1.671 ( 1.394 0.545 -1.315) 1.992 1.717 ( -0.371 -1.279 -1.233) 1.815 1.798 ( 1.959 0.269 0.298) 2.000 1.896 ( -2.012 3.525 -2.432) 4.732 1.991 ( 6.087 12.004 -0.674) 13.476 2.176 ( -0.232 1.715 -4.166) 4.511 2.199 ( 10.047 18.761 -0.711) 21.293 2.202 ( -0.869 19.430 -6.042) 20.366 2.242 ( 0.313 39.867 -0.271) 39.869 2.315 ( 8.781 20.398 2.492) 22.347 2.409 ( 0.286 14.234 -1.529) 14.319 2.486 ( 3.160 27.835 -0.996) 28.032 2.746 ( 6.061 16.609 15.998) 23.844 2.785 ( 16.089 -0.365 -1.208) 16.138 2.990 ( -5.020 -5.399 5.134) 8.984 3.490 ( -9.460 4.396 1.415) 10.527 3.638 ( -4.811 -4.220 10.505) 12.300 3.857 ( 8.198 -0.528 -3.618) 8.976 3.930 ( -10.715 -1.071 -4.666) 11.736 4.192 ( 3.626 -0.772 -5.702) 6.802 4.323 ( -6.323 6.077 -9.346) 12.816 4.535 ( -7.376 0.027 -4.789) 8.794 4.768 ( 4.393 5.716 2.551) 7.647 4.936 ( 9.201 3.693 -2.954) 10.345 5.106 ( -0.819 -3.704 5.084) 6.343 5.214 ( -1.638 -5.559 2.253) 6.218 5.264 ( 2.891 -1.546 1.413) 3.570 5.493 ( -4.117 -6.976 -0.544) 8.118 5.552 ( -0.247 -12.522 -2.904) 12.857 5.661 ( 1.317 -5.050 -4.549) 6.923 5.888 ( -1.920 15.538 0.723) 15.673 6.011 ( 0.333 10.217 -0.823) 10.255 6.164 ( 1.118 12.072 8.892) 15.035 6.457 ( -2.246 1.085 -1.090) 2.722 6.574 ( -0.383 23.283 -1.089) 23.311 6.668 ( 15.702 30.109 -0.690) 33.964 6.810 ( -6.572 -6.494 -2.204) 9.499 6.928 ( -2.682 -0.192 -5.250) 5.899 7.194 ( 3.446 -2.445 2.020) 4.683 7.436 ( -2.000 2.953 -2.495) 4.352 7.553 ( 3.931 -6.693 0.579) 7.783 7.756 ( 3.403 4.025 -5.202) 7.406 7.906 ( -2.218 -5.434 0.277) 5.876 7.993 ( 3.398 -5.043 -4.290) 7.442 8.295 ( -2.430 -4.485 -6.760) 8.469 8.362 ( -1.742 -8.451 -9.655) 12.949 8.562 ( -0.353 -2.698 0.076) 2.722 8.673 ( -2.910 -10.570 -1.623) 11.083 8.778 ( -7.056 4.196 5.999) 10.168 8.999 ( -13.778 3.603 2.401) 14.442 9.295 ( -4.493 6.926 7.197) 10.953 9.333 ( -3.111 14.901 -0.604) 15.234 9.465 ( 2.991 9.664 2.891) 10.521 9.536 ( 6.567 -8.666 2.428) 11.141 9.757 ( 7.964 4.733 1.619) 9.405 9.818 ( 6.405 3.720 -3.542) 8.210 10.069 ( -0.100 13.834 -0.155) 13.835 10.166 ( -1.489 7.394 -4.485) 8.775 10.393 ( 2.186 3.523 2.666) 4.929 10.594 ( 1.872 -3.033 2.314) 4.250 10.807 ( 1.057 -3.241 5.749) 6.684 10.928 ( -0.186 -1.115 -2.935) 3.145 11.071 ( -7.446 8.972 -2.312) 11.886 11.174 ( -3.264 -0.747 0.959) 3.482 11.274 ( 3.881 6.255 2.158) 7.671 11.360 ( 2.788 -0.293 -0.979) 2.970 11.628 ( -5.407 -5.397 -7.810) 10.926 11.786 ( -4.885 -1.476 -6.441) 8.218 12.056 ( 5.645 -6.262 -4.405) 9.513 12.295 ( 1.196 -5.337 -8.761) 10.328 12.788 ( 4.931 -4.959 8.681) 11.148 13.136 ( -2.539 -7.702 0.359) 8.118 13.393 ( 8.300 -8.618 10.827) 16.136 13.711 ( 3.691 4.569 1.560) 6.077 13.804 ( 5.335 5.093 -0.878) 7.428 14.000 ( -5.791 -13.023 -1.323) 14.314 14.267 ( -1.608 -2.801 2.098) 3.851 14.420 ( -1.556 -3.821 4.118) 5.830 14.524 ( -2.840 2.900 3.745) 5.523 15.169 ( -11.774 8.710 -13.543) 19.948 15.740 ( 3.843 4.474 14.149) 15.329 15.749 ( 0.327 33.751 7.526) 34.581 16.072 ( 9.408 9.149 13.151) 18.579 16.342 ( -1.457 27.983 4.292) 28.348 16.631 ( 10.018 40.410 -15.613) 44.465 17.287 ( -3.005 0.811 -9.419) 9.920 17.406 ( 0.849 1.658 5.548) 5.852 17.555 ( -2.942 12.302 -11.574) 17.145 17.980 ( 0.762 -1.033 -21.020) 21.060 18.166 ( -3.567 -3.416 -20.456) 21.044 18.762 ( -5.611 -1.365 -0.897) 5.844 18.804 ( -4.095 -3.487 0.200) 5.383 19.066 ( 7.016 -3.245 1.494) 7.873 19.207 ( 1.379 -2.484 -2.533) 3.807 23.041 ( 0.396 14.185 33.940) 36.787 23.444 ( -13.201 12.325 15.271) 23.651 24.499 ( 10.893 7.726 -18.419) 22.751 24.881 ( -1.969 5.577 -26.602) 27.251 25.625 ( 3.309 -8.975 11.883) 15.255 25.934 ( -5.255 -7.400 10.676) 14.012 26.322 ( 4.765 -7.223 -8.228) 11.940 26.577 ( -2.478 -5.881 -8.157) 10.357 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 1.708 2.366 7.934) 8.453 1.322 ( 0.068 4.039 7.887) 8.861 1.379 ( -1.017 5.943 5.768) 8.345 1.410 ( -2.671 6.446 5.778) 9.059 1.537 ( 1.522 1.109 -0.968) 2.117 1.553 ( -0.447 1.341 -0.420) 1.474 1.693 ( 0.956 0.262 -0.670) 1.197 1.707 ( -0.664 -0.435 -1.163) 1.409 1.832 ( 1.751 0.495 -0.534) 1.897 1.863 ( -1.692 1.421 -1.947) 2.945 2.098 ( 4.643 9.527 -5.047) 11.738 2.162 ( -2.861 0.854 -8.668) 9.168 2.209 ( 3.286 29.436 -1.317) 29.648 2.238 ( 0.137 41.914 -0.378) 41.916 2.245 ( 1.648 40.083 -1.355) 40.139 2.340 ( -5.585 23.326 0.744) 23.997 2.577 ( 7.428 13.109 -2.942) 15.352 2.705 ( -1.664 7.016 0.925) 7.269 2.800 ( 22.793 5.212 3.839) 23.695 3.029 ( 10.062 1.219 10.746) 14.772 3.101 ( 10.131 2.934 8.532) 13.567 3.291 ( -12.882 6.030 9.397) 17.047 3.493 ( -8.209 0.505 7.488) 11.122 3.616 ( -16.971 -1.471 1.172) 17.075 4.068 ( 10.147 -3.225 -4.262) 11.469 4.209 ( -5.952 0.154 -6.956) 9.156 4.263 ( 4.754 -1.281 -5.700) 7.532 4.386 ( -8.456 -1.845 -4.251) 9.642 4.854 ( 5.389 -1.069 0.931) 5.573 4.963 ( -5.029 -3.966 -0.576) 6.431 5.126 ( 2.383 -1.175 2.315) 3.524 5.173 ( -2.492 -3.320 1.490) 4.410 5.365 ( 6.876 -2.319 -3.555) 8.081 5.460 ( -2.398 -8.006 -5.203) 9.844 5.559 ( 3.043 -6.233 -1.404) 7.077 5.639 ( -3.611 -5.790 -4.243) 8.036 5.902 ( 3.357 12.102 3.957) 13.167 5.980 ( -3.860 8.146 1.951) 9.223 6.251 ( 8.127 12.930 7.250) 16.905 6.416 ( -6.121 8.772 3.359) 11.212 6.497 ( -0.625 4.507 0.969) 4.652 6.615 ( -9.754 -6.930 -0.292) 11.969 6.906 ( 7.926 10.478 -6.022) 14.453 7.035 ( -0.639 18.614 -12.969) 22.696 7.241 ( 13.613 17.846 -0.957) 22.466 7.473 ( -1.398 6.090 -4.840) 7.904 7.631 ( 4.035 0.347 1.853) 4.454 7.739 ( -6.825 16.033 -4.208) 17.926 7.871 ( 5.744 -16.416 -1.972) 17.503 8.028 ( -5.532 -16.399 -2.482) 17.483 8.255 ( 1.452 -3.698 -7.553) 8.535 8.329 ( -2.917 -7.784 -9.328) 12.494 8.468 ( -5.532 -4.226 2.519) 7.404 8.518 ( -8.270 -7.088 -0.933) 10.932 8.800 ( 5.831 5.670 1.680) 8.305 8.878 ( -2.720 0.656 3.215) 4.262 9.239 ( -1.068 11.092 7.056) 13.190 9.269 ( -3.628 14.362 2.948) 15.104 9.529 ( 3.332 2.153 1.270) 4.165 9.572 ( -1.210 -6.618 2.829) 7.299 9.887 ( 3.911 2.121 -0.179) 4.452 9.900 ( 3.275 2.027 0.669) 3.909 10.083 ( 2.391 10.001 0.244) 10.285 10.144 ( -2.306 8.573 -1.643) 9.029 10.474 ( 6.081 1.928 -1.452) 6.543 10.579 ( -4.261 -3.752 -2.515) 6.210 10.826 ( 2.513 5.972 4.732) 8.024 10.902 ( -4.310 3.567 2.418) 6.095 11.004 ( 2.230 4.373 1.394) 5.103 11.091 ( -5.497 0.009 0.748) 5.547 11.342 ( 2.898 -0.608 -0.062) 2.962 11.379 ( -0.867 -2.361 -0.282) 2.531 11.592 ( 2.109 -1.541 -9.238) 9.600 11.676 ( -6.100 0.604 -8.924) 10.826 12.174 ( 6.512 -6.068 -3.268) 9.482 12.272 ( -3.784 -5.919 -4.901) 8.566 12.906 ( 7.804 -4.483 7.598) 11.778 13.046 ( -6.976 -5.194 5.494) 10.287 13.612 ( 13.746 -12.891 7.660) 20.342 13.795 ( 1.029 -3.716 2.863) 4.803 13.844 ( -2.312 -0.706 2.085) 3.192 13.893 ( -2.810 -3.433 3.540) 5.676 14.257 ( 1.744 -2.463 -1.111) 3.216 14.338 ( -6.209 -4.577 -0.831) 7.758 14.599 ( 11.458 11.202 0.623) 16.036 14.885 ( -17.973 10.101 -7.246) 21.853 15.758 ( 0.578 27.778 6.320) 28.494 15.766 ( -0.083 19.262 5.852) 20.132 16.227 ( 6.188 8.809 10.122) 14.777 16.304 ( -2.882 19.991 6.111) 21.102 16.903 ( 17.709 26.809 -15.029) 35.471 17.173 ( -10.637 9.909 -14.150) 20.287 17.432 ( 2.205 3.760 4.087) 5.975 17.488 ( -3.855 8.951 -1.286) 9.831 18.011 ( 2.909 -2.442 -22.187) 22.510 18.085 ( -4.877 -3.347 -21.806) 22.594 18.702 ( -0.773 -1.836 -1.368) 2.417 18.730 ( -3.418 -2.633 -1.261) 4.495 19.171 ( 4.274 -3.343 0.430) 5.443 19.216 ( -0.820 -3.049 -0.821) 3.262 23.078 ( 4.353 14.515 29.958) 33.572 23.214 ( -10.751 14.076 23.707) 29.593 24.689 ( 9.199 6.370 -22.617) 25.233 24.819 ( -5.156 5.749 -25.109) 26.270 25.709 ( 5.731 -8.661 11.637) 15.597 25.823 ( -6.569 -8.125 11.064) 15.217 26.419 ( 5.589 -6.575 -8.195) 11.901 26.512 ( -4.541 -6.132 -8.275) 11.256 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 3.551 1.046) 3.702 1.436 ( 0.000 2.290 8.285) 8.595 1.467 ( 0.000 2.628 4.716) 5.399 1.472 ( 0.000 1.632 7.128) 7.312 1.532 ( 0.000 1.217 1.040) 1.601 1.633 ( 0.000 3.350 5.145) 6.140 1.664 ( 0.000 0.744 0.674) 1.004 1.668 ( 0.000 -1.548 3.154) 3.513 1.804 ( 0.000 3.263 -0.225) 3.271 1.985 ( 0.000 2.507 2.370) 3.450 1.988 ( 0.000 0.908 3.146) 3.275 2.002 ( 0.000 -2.942 0.901) 3.076 2.176 ( 0.000 -2.638 -10.737) 11.056 2.192 ( 0.000 -3.946 -3.687) 5.400 2.464 ( 0.000 3.978 -4.387) 5.922 2.582 ( 0.000 -0.552 -3.984) 4.022 2.942 ( 0.000 1.025 9.206) 9.263 3.168 ( 0.000 31.483 5.763) 32.006 3.230 ( 0.000 29.147 -2.067) 29.221 3.309 ( 0.000 47.908 1.358) 47.927 3.310 ( 0.000 49.931 -1.174) 49.945 3.540 ( 0.000 5.210 5.062) 7.265 3.737 ( 0.000 8.618 1.496) 8.747 3.799 ( 0.000 6.814 -4.076) 7.940 4.025 ( 0.000 -2.528 -4.228) 4.927 4.093 ( 0.000 -2.295 -6.373) 6.773 4.508 ( 0.000 5.210 -8.940) 10.347 4.656 ( 0.000 0.859 -6.169) 6.229 4.899 ( 0.000 -10.500 -1.755) 10.645 4.911 ( 0.000 2.734 2.090) 3.441 5.007 ( 0.000 7.132 1.013) 7.204 5.073 ( 0.000 -18.667 -2.629) 18.851 5.225 ( 0.000 2.259 5.248) 5.714 5.351 ( 0.000 -0.531 3.329) 3.371 5.493 ( 0.000 -3.141 1.541) 3.499 5.535 ( 0.000 -1.930 -4.663) 5.047 6.144 ( 0.000 9.960 -0.916) 10.002 6.265 ( 0.000 11.686 8.437) 14.414 6.360 ( 0.000 16.733 -3.465) 17.088 6.544 ( 0.000 3.870 -0.663) 3.927 6.750 ( 0.000 -7.678 -3.126) 8.290 6.828 ( 0.000 -1.128 -1.088) 1.568 6.955 ( 0.000 -3.611 4.776) 5.988 7.131 ( 0.000 11.717 4.940) 12.716 7.154 ( 0.000 22.714 5.958) 23.482 7.317 ( 0.000 -0.463 -7.292) 7.307 7.551 ( 0.000 -3.248 -4.615) 5.644 7.645 ( 0.000 -9.587 0.547) 9.603 7.690 ( 0.000 -1.858 4.739) 5.090 8.073 ( 0.000 -1.434 -4.784) 4.994 8.143 ( 0.000 -14.424 -7.803) 16.400 8.240 ( 0.000 1.636 -7.960) 8.127 8.460 ( 0.000 -11.576 -0.094) 11.576 8.587 ( 0.000 -1.947 -7.703) 7.945 8.722 ( 0.000 -11.174 11.859) 16.294 9.147 ( 0.000 -11.929 -0.881) 11.962 9.260 ( 0.000 3.328 3.075) 4.531 9.411 ( 0.000 -7.652 -0.441) 7.665 9.595 ( 0.000 11.113 6.475) 12.861 9.632 ( 0.000 11.135 5.730) 12.523 9.958 ( 0.000 10.583 5.185) 11.785 10.052 ( 0.000 23.711 -0.154) 23.711 10.215 ( 0.000 -0.340 0.581) 0.673 10.321 ( 0.000 11.342 -3.327) 11.820 10.579 ( 0.000 14.578 -0.276) 14.581 10.631 ( 0.000 6.620 -2.292) 7.006 10.723 ( 0.000 7.162 -0.357) 7.171 10.910 ( 0.000 -1.134 -4.395) 4.539 11.189 ( 0.000 5.136 -1.073) 5.247 11.279 ( 0.000 -1.029 6.096) 6.182 11.287 ( 0.000 -5.351 1.139) 5.471 11.378 ( 0.000 3.682 -0.110) 3.684 11.589 ( 0.000 -4.155 -9.174) 10.071 11.728 ( 0.000 -6.737 -2.689) 7.254 11.867 ( 0.000 -7.757 -6.206) 9.934 12.153 ( 0.000 -7.411 -10.643) 12.969 12.648 ( 0.000 -2.799 4.455) 5.262 12.941 ( 0.000 -11.064 -3.333) 11.555 13.224 ( 0.000 -4.435 10.957) 11.821 13.693 ( 0.000 -15.646 1.976) 15.770 13.816 ( 0.000 7.742 0.626) 7.767 13.910 ( 0.000 3.091 -0.116) 3.093 14.219 ( 0.000 -3.774 3.224) 4.963 14.300 ( 0.000 -7.792 1.620) 7.959 14.713 ( 0.000 13.703 8.558) 16.156 15.433 ( 0.000 3.114 0.960) 3.258 15.572 ( 0.000 -0.345 11.149) 11.154 16.147 ( 0.000 -0.700 11.371) 11.392 16.583 ( 0.000 46.458 8.218) 47.180 17.081 ( 0.000 42.494 3.398) 42.630 17.326 ( 0.000 11.249 -7.710) 13.638 17.408 ( 0.000 25.061 -15.971) 29.717 17.433 ( 0.000 2.465 3.089) 3.952 17.788 ( 0.000 16.013 -23.824) 28.706 18.128 ( 0.000 17.693 -14.558) 22.912 18.144 ( 0.000 -1.000 -13.652) 13.689 18.713 ( 0.000 -11.374 3.500) 11.901 18.818 ( 0.000 -3.499 -5.492) 6.512 18.861 ( 0.000 -7.069 2.015) 7.350 19.116 ( 0.000 -6.226 -5.532) 8.329 23.441 ( 0.000 28.666 31.965) 42.936 23.951 ( 0.000 28.025 6.304) 28.725 24.645 ( 0.000 20.152 -13.478) 24.244 25.080 ( 0.000 13.867 -22.716) 26.614 25.318 ( 0.000 -20.374 12.822) 24.073 25.764 ( 0.000 -17.766 9.751) 20.266 26.041 ( 0.000 -17.175 -9.077) 19.426 26.402 ( 0.000 -15.978 -9.684) 18.683 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.171 3.475 3.895) 5.223 1.421 ( -0.061 5.834 8.719) 10.491 1.457 ( -0.681 -0.228 1.929) 2.058 1.499 ( 0.143 1.243 2.374) 2.684 1.534 ( 0.974 1.750 0.777) 2.148 1.619 ( -1.423 3.063 0.714) 3.452 1.672 ( 0.423 -1.711 1.523) 2.330 1.680 ( 0.835 0.063 2.086) 2.248 1.823 ( 1.214 2.481 1.526) 3.155 1.936 ( -2.267 1.890 -3.321) 4.443 2.057 ( 1.942 -2.464 -2.982) 4.328 2.167 ( -1.496 -2.927 -8.924) 9.510 2.183 ( 13.351 2.375 2.979) 13.884 2.276 ( 18.880 -0.575 4.292) 19.370 2.520 ( 5.349 5.542 -3.431) 8.432 2.737 ( 13.815 -2.190 -1.126) 14.032 2.954 ( 1.179 3.131 6.976) 7.737 3.146 ( -5.113 29.161 1.884) 29.666 3.210 ( 2.693 34.114 5.838) 34.714 3.319 ( 0.743 47.520 -0.802) 47.532 3.347 ( 2.497 46.645 -0.636) 46.716 3.497 ( -4.266 5.655 6.363) 9.522 3.694 ( -4.677 11.280 4.794) 13.118 3.863 ( 6.049 1.721 -5.280) 8.211 3.900 ( -11.943 -0.198 -3.154) 12.354 4.141 ( 3.061 -2.929 -6.550) 7.801 4.401 ( -9.748 1.447 -7.269) 12.246 4.548 ( -10.520 1.180 -6.740) 12.550 4.890 ( -1.927 4.037 1.297) 4.658 4.946 ( -1.950 -9.285 -0.175) 9.489 4.980 ( 4.617 -6.689 -1.479) 8.261 5.123 ( 1.636 -4.764 -3.148) 5.940 5.250 ( 3.018 -0.636 3.293) 4.512 5.360 ( 0.834 -3.770 3.335) 5.102 5.411 ( -3.397 -0.741 -0.619) 3.532 5.581 ( 0.169 -3.308 -4.031) 5.217 6.135 ( -0.507 10.424 -0.995) 10.484 6.264 ( -3.127 15.440 0.398) 15.758 6.357 ( 3.581 12.267 6.005) 14.120 6.512 ( -2.440 4.314 -0.379) 4.970 6.661 ( -7.193 -5.798 -0.004) 9.239 6.780 ( -6.075 3.032 -0.858) 6.843 7.025 ( 6.062 3.057 0.855) 6.843 7.170 ( 2.704 8.243 4.767) 9.899 7.282 ( 12.436 7.926 0.561) 14.757 7.397 ( 8.203 -1.471 -2.394) 8.671 7.479 ( -2.683 1.683 -2.060) 3.778 7.643 ( -1.771 -7.354 -0.117) 7.565 7.771 ( 4.898 -8.339 1.249) 9.751 8.019 ( -4.039 -6.145 -3.223) 8.028 8.162 ( -0.441 -7.583 -8.412) 11.334 8.246 ( -0.530 -2.888 -10.036) 10.457 8.390 ( -4.360 -6.394 0.683) 7.769 8.510 ( -4.882 -6.825 -2.509) 8.758 8.840 ( 8.680 0.749 6.378) 10.798 9.140 ( -2.287 5.440 0.003) 5.902 9.258 ( 0.859 -5.884 5.008) 7.774 9.375 ( -2.367 -7.457 2.086) 8.096 9.594 ( -1.951 11.465 5.836) 13.012 9.627 ( -0.339 10.077 5.710) 11.588 9.957 ( 2.044 11.995 1.203) 12.227 10.059 ( -0.930 13.855 0.389) 13.892 10.195 ( -2.508 0.893 -1.164) 2.906 10.302 ( -1.869 5.634 -3.073) 6.684 10.504 ( -1.217 12.201 0.135) 12.262 10.625 ( -0.921 3.820 -1.919) 4.373 10.884 ( 7.690 11.526 -1.337) 13.920 10.912 ( 2.919 1.797 -1.422) 3.711 11.178 ( -1.600 5.814 -1.275) 6.164 11.210 ( -4.561 -1.398 3.333) 5.820 11.281 ( -2.155 -6.821 -0.918) 7.212 11.386 ( -1.396 4.276 2.107) 4.967 11.526 ( -1.335 -3.421 -8.480) 9.241 11.769 ( -0.733 -1.004 -4.821) 4.978 11.891 ( 4.997 -11.036 -5.007) 13.108 12.157 ( -0.484 -9.075 -8.481) 12.431 12.705 ( 5.772 -2.408 5.207) 8.138 12.976 ( 2.536 -8.577 -1.882) 9.140 13.231 ( 1.968 -7.332 11.249) 13.571 13.650 ( -4.485 -16.083 3.488) 17.057 13.854 ( 2.780 5.137 0.774) 5.892 13.916 ( 1.547 5.168 -0.173) 5.397 14.204 ( -1.278 -3.729 2.094) 4.463 14.293 ( -1.143 -6.659 0.832) 6.807 14.738 ( 3.521 15.395 7.408) 17.444 15.378 ( -9.132 12.626 -10.419) 18.745 15.634 ( 8.843 -9.902 20.815) 24.688 16.110 ( -4.071 -1.238 11.064) 11.854 16.620 ( 4.177 43.992 8.343) 44.970 17.019 ( -6.220 38.497 3.880) 39.188 17.338 ( 1.168 12.470 -6.477) 14.100 17.402 ( -0.280 11.159 -3.699) 11.760 17.505 ( 6.786 17.386 -9.543) 20.962 17.787 ( -0.354 17.175 -21.886) 27.823 18.089 ( -3.004 6.894 -15.245) 16.999 18.133 ( -2.037 10.017 -15.233) 18.344 18.680 ( -3.080 -9.666 1.312) 10.229 18.717 ( -5.511 -4.583 -1.758) 7.380 18.970 ( 6.406 -7.164 -1.248) 9.691 19.124 ( 0.466 -6.976 -4.574) 8.355 23.451 ( 1.321 29.462 30.538) 42.454 23.834 ( -10.611 29.724 11.561) 33.613 24.742 ( 8.693 18.610 -16.551) 26.379 25.066 ( -1.744 14.317 -22.690) 26.886 25.350 ( 3.462 -20.648 12.987) 24.638 25.696 ( -6.339 -18.575 9.793) 21.934 26.101 ( 5.568 -16.659 -8.762) 19.629 26.379 ( -2.567 -15.949 -9.736) 18.861 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 2.283 3.808 4.733) 6.490 1.403 ( -2.400 3.847 4.892) 6.670 1.461 ( 1.259 2.894 2.669) 4.133 1.484 ( -1.139 1.676 3.091) 3.696 1.560 ( 1.432 1.557 -0.731) 2.238 1.588 ( -1.787 2.477 -0.348) 3.074 1.681 ( 0.478 -1.468 0.748) 1.716 1.687 ( -0.052 -0.789 1.044) 1.309 1.848 ( 1.854 1.582 -0.898) 2.598 1.890 ( -2.673 2.079 -2.883) 4.448 2.073 ( 1.544 -3.924 -7.064) 8.227 2.117 ( -3.021 -3.621 -8.821) 10.003 2.469 ( 13.911 9.675 -0.368) 16.949 2.591 ( 0.387 8.517 -2.556) 8.900 2.728 ( 24.764 1.353 9.069) 26.408 2.959 ( 5.670 2.942 4.086) 7.583 2.995 ( 3.952 9.029 -0.040) 9.856 3.021 ( -6.254 20.338 4.951) 21.847 3.309 ( 4.097 32.634 7.179) 33.665 3.313 ( -1.884 32.222 3.013) 32.417 3.380 ( 2.232 39.816 0.820) 39.887 3.440 ( 1.009 23.682 4.630) 24.152 3.538 ( -12.368 3.523 6.750) 14.524 3.630 ( -14.172 10.824 2.699) 18.035 4.008 ( 9.681 -2.804 -4.754) 11.144 4.182 ( -4.476 -1.618 -3.200) 5.735 4.233 ( -1.508 -2.356 -10.594) 10.957 4.350 ( -9.872 -0.366 -7.908) 12.655 4.866 ( 0.829 -0.638 0.039) 1.046 4.910 ( -2.855 -3.185 -1.009) 4.395 5.048 ( 3.184 -6.768 -3.281) 8.167 5.105 ( -3.073 -4.472 -3.477) 6.445 5.324 ( 4.396 -2.418 0.562) 5.048 5.371 ( -0.997 -2.592 0.505) 2.823 5.418 ( 4.659 -4.412 -0.240) 6.421 5.525 ( -5.638 -4.860 -3.799) 8.357 6.143 ( 1.712 11.577 -0.449) 11.711 6.194 ( -3.663 13.364 -0.165) 13.858 6.470 ( 7.910 11.593 6.486) 15.461 6.490 ( 0.667 2.856 -0.287) 2.947 6.543 ( -5.115 -1.082 0.125) 5.229 6.632 ( -9.302 9.590 2.958) 13.684 7.127 ( 5.036 6.188 -0.374) 7.987 7.195 ( -1.639 0.837 1.251) 2.225 7.459 ( 7.013 -1.385 -1.368) 7.278 7.495 ( 3.462 3.650 -0.761) 5.087 7.613 ( 0.081 -8.083 -2.391) 8.429 7.623 ( 10.305 -9.437 0.669) 13.989 7.764 ( -1.648 -8.834 1.607) 9.129 7.928 ( -9.335 -6.553 -2.674) 11.715 8.136 ( 1.158 -10.782 -7.294) 13.069 8.197 ( -3.878 -9.111 -9.337) 13.610 8.382 ( 2.341 6.469 -3.214) 7.593 8.439 ( -3.338 2.950 -3.179) 5.472 8.983 ( 6.627 12.722 5.528) 15.373 9.075 ( -4.031 18.853 3.399) 19.577 9.288 ( 2.127 -8.401 6.885) 11.068 9.334 ( -2.577 -8.510 5.164) 10.282 9.560 ( -0.009 8.051 4.020) 8.999 9.598 ( -2.970 7.750 4.572) 9.476 10.017 ( 2.388 8.814 -1.244) 9.216 10.030 ( -0.350 9.060 -0.434) 9.078 10.178 ( 1.525 -1.097 -3.345) 3.836 10.245 ( -4.606 0.094 -3.055) 5.528 10.527 ( 3.126 6.753 0.803) 7.484 10.592 ( -3.115 4.335 -0.962) 5.424 10.943 ( 4.559 3.537 0.865) 5.835 11.011 ( 0.662 12.625 1.708) 12.758 11.118 ( -1.879 0.921 -1.739) 2.721 11.149 ( -3.052 5.239 0.801) 6.115 11.261 ( 0.854 -4.045 -3.775) 5.599 11.312 ( -4.431 -0.147 -3.284) 5.518 11.595 ( 6.413 0.538 -4.642) 7.935 11.705 ( -5.230 1.199 -5.705) 7.832 12.011 ( 6.822 -11.186 -3.637) 13.597 12.114 ( -4.254 -10.619 -5.287) 12.602 12.834 ( 7.819 -1.855 6.382) 10.262 12.958 ( -4.926 -2.758 4.576) 7.267 13.345 ( 9.935 -14.556 7.058) 18.984 13.527 ( -9.003 -16.818 5.079) 19.740 13.911 ( 3.515 5.095 1.369) 6.339 13.948 ( 0.307 4.586 0.963) 4.696 14.197 ( 1.218 -3.837 -0.483) 4.055 14.248 ( -3.571 -4.978 -0.781) 6.175 14.872 ( 11.713 17.247 2.686) 21.020 15.135 ( -15.875 15.981 -4.801) 23.032 15.830 ( 10.975 -9.250 15.009) 20.767 16.002 ( -7.828 -4.314 11.466) 14.538 16.729 ( 7.597 38.965 7.848) 40.467 16.880 ( -8.561 36.136 5.882) 37.600 17.364 ( 1.654 11.216 -3.870) 11.980 17.391 ( -1.089 9.828 -2.386) 10.172 17.649 ( 8.085 18.979 -12.894) 24.328 17.759 ( -3.474 18.450 -16.598) 25.060 18.049 ( -0.648 6.499 -18.125) 19.266 18.077 ( -3.311 12.817 -17.795) 22.179 18.633 ( -1.314 -6.575 -1.308) 6.832 18.644 ( -2.460 -6.349 -1.074) 6.893 19.067 ( 4.183 -8.047 -1.980) 9.283 19.118 ( -1.445 -7.963 -3.082) 8.661 23.504 ( 5.055 31.010 26.551) 41.136 23.639 ( -9.745 31.433 20.073) 38.548 24.899 ( 7.787 16.527 -20.273) 27.291 25.011 ( -4.533 15.191 -22.085) 27.186 25.439 ( 6.282 -20.619 12.605) 24.970 25.567 ( -7.497 -19.796 11.236) 23.966 26.211 ( 6.114 -16.139 -9.302) 19.605 26.312 ( -4.799 -15.946 -9.712) 19.277 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 2.637 1.316) 2.947 1.432 ( 0.000 -1.336 1.792) 2.235 1.498 ( 0.000 1.148 1.058) 1.562 1.511 ( 0.000 0.146 1.915) 1.920 1.560 ( 0.000 2.576 5.223) 5.824 1.606 ( 0.000 -2.377 2.672) 3.576 1.689 ( 0.000 2.086 6.558) 6.882 1.713 ( 0.000 1.103 10.650) 10.706 1.890 ( 0.000 5.201 -0.992) 5.295 1.949 ( 0.000 -1.743 -2.394) 2.961 1.985 ( 0.000 -1.009 4.174) 4.294 1.996 ( 0.000 -1.668 3.655) 4.018 2.127 ( 0.000 -1.936 -6.347) 6.635 2.130 ( 0.000 -1.801 -9.969) 10.131 2.528 ( 0.000 2.664 -3.856) 4.687 2.565 ( 0.000 -1.377 -3.929) 4.163 3.029 ( 0.000 8.066 4.523) 9.248 3.214 ( 0.000 -10.691 1.646) 10.817 3.587 ( 0.000 12.604 -7.809) 14.827 3.668 ( 0.000 3.642 -12.392) 12.916 3.848 ( 0.000 6.558 3.883) 7.622 3.900 ( 0.000 -0.850 3.143) 3.256 4.107 ( 0.000 24.493 1.352) 24.531 4.147 ( 0.000 15.763 -0.299) 15.766 4.159 ( 0.000 13.500 -1.464) 13.580 4.231 ( 0.000 27.529 -1.230) 27.557 4.586 ( 0.000 0.464 -7.346) 7.360 4.616 ( 0.000 -8.098 -1.849) 8.307 4.649 ( 0.000 -15.977 -3.040) 16.263 4.688 ( 0.000 -6.379 -6.693) 9.246 4.901 ( 0.000 -2.022 4.494) 4.928 5.024 ( 0.000 -7.987 0.392) 7.997 5.316 ( 0.000 6.350 4.939) 8.045 5.393 ( 0.000 0.122 4.292) 4.294 5.474 ( 0.000 1.897 0.683) 2.016 5.517 ( 0.000 -0.956 -2.236) 2.432 6.326 ( 0.000 9.046 1.874) 9.238 6.436 ( 0.000 2.612 6.775) 7.261 6.604 ( 0.000 -2.183 -0.075) 2.184 6.605 ( 0.000 2.251 0.085) 2.252 6.664 ( 0.000 10.909 -2.997) 11.313 6.821 ( 0.000 -3.305 4.602) 5.666 6.912 ( 0.000 0.634 0.842) 1.054 6.991 ( 0.000 -10.932 -2.861) 11.301 7.394 ( 0.000 7.796 -2.072) 8.067 7.540 ( 0.000 1.187 1.754) 2.118 7.555 ( 0.000 -0.880 -2.758) 2.895 7.572 ( 0.000 13.843 3.096) 14.185 7.586 ( 0.000 -7.472 3.780) 8.373 7.889 ( 0.000 -15.832 -3.001) 16.114 7.964 ( 0.000 1.181 -4.935) 5.075 8.145 ( 0.000 -12.153 0.147) 12.154 8.493 ( 0.000 -1.974 0.624) 2.070 8.511 ( 0.000 -4.963 -5.049) 7.080 8.585 ( 0.000 12.592 -0.210) 12.594 8.888 ( 0.000 -15.511 -2.820) 15.765 9.324 ( 0.000 1.306 7.014) 7.135 9.327 ( 0.000 -1.033 5.591) 5.685 9.796 ( 0.000 6.531 8.759) 10.925 9.798 ( 0.000 9.800 2.437) 10.099 9.950 ( 0.000 -2.849 6.591) 7.180 10.068 ( 0.000 -10.360 -3.707) 11.003 10.530 ( 0.000 19.253 2.724) 19.444 10.571 ( 0.000 6.336 -3.159) 7.080 10.709 ( 0.000 1.241 -2.023) 2.373 10.749 ( 0.000 11.642 -1.492) 11.737 10.990 ( 0.000 3.224 -4.742) 5.735 11.035 ( 0.000 12.963 -2.867) 13.276 11.114 ( 0.000 -11.264 -0.426) 11.272 11.157 ( 0.000 0.228 4.044) 4.050 11.349 ( 0.000 -4.380 0.360) 4.395 11.356 ( 0.000 10.605 -1.863) 10.768 11.520 ( 0.000 -15.185 -2.359) 15.367 11.528 ( 0.000 -6.624 -5.459) 8.584 11.832 ( 0.000 5.758 -6.813) 8.920 11.994 ( 0.000 -9.494 -7.794) 12.284 12.663 ( 0.000 3.784 -0.983) 3.909 12.765 ( 0.000 -7.351 -2.954) 7.922 13.210 ( 0.000 4.085 9.393) 10.243 13.390 ( 0.000 -14.354 6.519) 15.765 13.954 ( 0.000 6.213 -0.734) 6.256 13.987 ( 0.000 2.993 -0.335) 3.011 14.150 ( 0.000 -2.873 3.792) 4.757 14.172 ( 0.000 -5.495 2.501) 6.038 14.996 ( 0.000 15.764 13.091) 20.491 15.275 ( 0.000 -13.468 18.584) 22.951 15.766 ( 0.000 14.070 -6.451) 15.478 16.016 ( 0.000 -11.582 2.256) 11.800 17.257 ( 0.000 21.887 0.444) 21.891 17.431 ( 0.000 4.551 -3.545) 5.769 17.474 ( 0.000 0.687 -1.536) 1.683 17.489 ( 0.000 -6.632 -10.699) 12.588 17.808 ( 0.000 34.172 3.015) 34.305 18.255 ( 0.000 13.810 -1.088) 13.853 18.282 ( 0.000 0.601 -4.640) 4.678 18.403 ( 0.000 10.193 -11.848) 15.630 18.489 ( 0.000 -0.229 -0.368) 0.434 18.708 ( 0.000 -9.202 -10.724) 14.131 18.730 ( 0.000 -1.010 -5.722) 5.811 18.935 ( 0.000 -13.457 -8.595) 15.968 24.080 ( 0.000 38.018 24.764) 45.372 24.593 ( 0.000 37.846 5.611) 38.259 24.776 ( 0.000 -34.030 17.208) 38.134 25.085 ( 0.000 19.066 -8.562) 20.901 25.289 ( 0.000 -18.138 5.400) 18.924 25.513 ( 0.000 20.465 -18.620) 27.668 25.636 ( 0.000 -25.430 -9.734) 27.229 26.002 ( 0.000 -25.996 -13.578) 29.328 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.559 2.972 2.776) 4.105 1.439 ( 0.718 -1.585 1.930) 2.599 1.495 ( -0.367 1.683 1.680) 2.407 1.508 ( -0.718 -0.166 -0.030) 0.737 1.575 ( 1.418 2.803 2.994) 4.339 1.621 ( 1.209 -2.073 1.553) 2.858 1.670 ( -1.486 1.682 3.439) 4.107 1.695 ( -1.399 -0.065 5.449) 5.626 1.881 ( -0.118 3.719 -0.975) 3.846 1.954 ( 0.023 -2.575 -5.218) 5.819 2.018 ( -1.094 1.852 -2.663) 3.423 2.093 ( -2.001 -4.590 -7.115) 8.700 2.229 ( 19.103 1.985 4.113) 19.641 2.257 ( 20.492 -1.204 3.748) 20.867 2.615 ( 8.283 4.473 -2.168) 9.660 2.686 ( 11.394 -3.224 -1.553) 11.943 3.054 ( 2.587 7.682 4.826) 9.434 3.225 ( 0.884 -9.761 2.893) 10.219 3.550 ( -6.029 13.559 -4.801) 15.597 3.678 ( -0.121 3.325 -7.976) 8.643 3.803 ( -6.781 3.395 3.228) 8.242 3.835 ( -1.925 0.368 -1.230) 2.314 4.064 ( -5.160 19.629 0.967) 20.319 4.139 ( 0.248 21.214 -0.205) 21.216 4.184 ( 1.345 14.918 -1.859) 15.094 4.246 ( 1.261 20.096 -2.342) 20.271 4.386 ( -13.567 -0.740 -5.792) 14.770 4.535 ( -9.047 -8.344 -7.096) 14.206 4.683 ( 2.909 -5.460 0.006) 6.187 4.808 ( 8.307 -7.855 -2.474) 11.698 4.917 ( 0.432 -0.164 3.009) 3.045 5.036 ( 0.408 -8.375 -0.858) 8.429 5.284 ( -2.328 4.195 3.654) 6.031 5.335 ( -3.319 -0.796 4.184) 5.399 5.444 ( -2.718 2.767 -0.151) 3.881 5.520 ( -1.912 -4.265 -2.550) 5.325 6.315 ( -0.286 8.660 0.927) 8.714 6.432 ( -0.768 -1.424 3.463) 3.822 6.550 ( -5.104 3.656 -1.975) 6.582 6.585 ( -2.761 -0.950 -0.711) 3.005 6.669 ( 2.849 16.403 1.698) 16.735 6.882 ( 3.368 6.041 1.450) 7.067 6.979 ( 5.850 -4.994 0.480) 7.707 7.045 ( 6.630 -14.193 -0.080) 15.666 7.370 ( -2.222 7.743 0.212) 8.058 7.454 ( -4.279 5.594 5.662) 9.036 7.559 ( 0.348 -2.627 -2.270) 3.490 7.573 ( -1.439 -9.157 2.388) 9.572 7.644 ( 3.038 5.815 -1.194) 6.668 7.826 ( -5.801 -11.524 -1.908) 13.041 7.910 ( -4.997 -7.290 -3.739) 9.597 8.070 ( -6.542 -13.693 -2.619) 15.400 8.509 ( 6.353 7.987 -1.712) 10.348 8.602 ( 4.949 15.862 -3.600) 17.002 8.746 ( 13.825 -8.775 2.045) 16.502 8.948 ( 4.966 -15.688 -0.634) 16.467 9.321 ( 0.272 1.860 6.296) 6.571 9.340 ( 2.657 2.785 6.583) 7.626 9.761 ( -2.795 6.917 6.445) 9.859 9.796 ( -2.370 5.776 6.607) 9.091 9.983 ( 3.825 -0.991 2.809) 4.848 10.094 ( 2.100 -8.487 -2.675) 9.144 10.373 ( -12.618 13.721 -0.463) 18.647 10.446 ( -12.745 4.100 -3.978) 13.967 10.709 ( -0.372 4.845 -1.363) 5.047 10.731 ( -1.229 12.335 -1.552) 12.493 10.927 ( -3.051 -4.633 -1.338) 5.707 11.039 ( -4.556 -11.808 -2.107) 12.831 11.164 ( 4.924 8.208 0.301) 9.576 11.252 ( 7.760 15.521 -0.629) 17.365 11.351 ( -0.163 8.997 -2.872) 9.446 11.377 ( 2.976 -5.572 -0.753) 6.362 11.493 ( -0.870 -3.610 -3.171) 4.883 11.616 ( 7.573 -15.845 -3.465) 17.901 11.806 ( -2.990 5.034 -6.114) 8.465 11.970 ( -2.746 -10.453 -7.084) 12.922 12.725 ( 6.466 4.137 1.058) 7.749 12.832 ( 7.146 -6.827 -1.615) 10.014 13.178 ( -3.504 3.106 9.838) 10.896 13.350 ( -4.405 -14.057 6.705) 16.185 13.965 ( 1.395 5.416 -0.509) 5.616 14.001 ( 1.605 2.767 -0.896) 3.322 14.139 ( -0.942 -2.156 2.993) 3.807 14.179 ( -0.065 -5.312 1.856) 5.627 15.050 ( 6.093 17.271 11.569) 21.662 15.357 ( 8.491 -14.699 16.086) 23.386 15.684 ( -8.730 14.846 -4.166) 17.719 15.956 ( -6.538 -12.928 3.280) 14.854 17.262 ( 0.661 20.620 0.251) 20.632 17.409 ( -2.599 6.769 -3.479) 8.043 17.457 ( -0.836 -1.390 -3.716) 4.055 17.491 ( -0.452 -2.841 -6.208) 6.842 17.851 ( 4.457 30.067 1.689) 30.443 18.199 ( -5.364 14.299 -0.992) 15.304 18.295 ( 1.258 -0.921 -4.074) 4.362 18.406 ( -0.971 6.100 -7.209) 9.493 18.477 ( 0.261 3.337 -6.027) 6.894 18.656 ( -3.444 4.935 -9.759) 11.465 18.793 ( 4.021 -11.766 -7.562) 14.553 18.927 ( -0.925 -14.304 -8.487) 16.658 24.106 ( 2.949 38.779 23.829) 45.611 24.502 ( -8.494 38.920 9.526) 40.959 24.811 ( 3.699 -34.221 16.886) 38.339 25.121 ( 0.549 -1.956 -2.591) 3.293 25.256 ( -0.615 -1.022 -1.013) 1.565 25.485 ( -2.564 22.678 -18.772) 29.551 25.703 ( 5.940 -25.080 -10.824) 27.955 25.980 ( -2.375 -25.838 -13.558) 29.275 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 2.074 3.012 2.456) 4.406 1.451 ( -0.088 0.936 1.488) 1.760 1.478 ( -0.812 -0.392 1.468) 1.723 1.490 ( -1.116 -0.607 0.654) 1.429 1.604 ( 1.756 2.758 1.625) 3.651 1.633 ( -0.855 1.604 1.062) 2.105 1.651 ( 0.364 -1.234 2.041) 2.412 1.670 ( -1.272 -1.227 2.413) 2.991 1.899 ( 2.105 3.897 -3.637) 5.731 1.946 ( -2.287 3.455 -5.988) 7.281 1.990 ( 0.951 -4.261 -5.446) 6.980 2.037 ( -3.373 -4.709 -7.685) 9.623 2.619 ( 18.607 6.860 2.030) 19.935 2.713 ( 24.445 -2.721 5.951) 25.306 2.746 ( 3.664 7.906 -0.002) 8.714 2.884 ( 6.885 -6.398 1.270) 9.484 3.119 ( 5.100 6.265 5.477) 9.760 3.248 ( 3.646 -7.391 6.786) 10.676 3.326 ( -16.890 11.221 3.851) 20.640 3.483 ( -18.677 -5.850 3.834) 19.943 3.787 ( 5.049 13.687 -2.463) 14.795 3.889 ( 1.709 7.770 -7.315) 10.808 3.945 ( -1.820 6.952 -0.666) 7.217 4.121 ( -12.857 -3.015 -4.889) 14.082 4.157 ( 1.327 23.194 -2.116) 23.328 4.188 ( -1.818 17.525 -3.231) 17.913 4.296 ( 3.645 10.139 -3.789) 11.421 4.386 ( -6.525 0.204 -6.141) 8.963 4.766 ( 5.755 0.883 1.354) 5.977 4.865 ( -4.214 1.051 1.739) 4.678 4.942 ( 4.809 -6.011 -1.838) 7.915 5.014 ( -2.900 -7.259 -1.849) 8.032 5.296 ( 3.428 0.436 0.429) 3.482 5.313 ( 0.626 -1.408 2.352) 2.812 5.389 ( -2.281 -1.917 0.055) 2.980 5.439 ( -6.062 -5.998 -2.260) 8.823 6.336 ( 2.804 8.925 -1.028) 9.411 6.405 ( -3.507 6.944 -1.489) 7.921 6.474 ( -0.619 -2.863 -0.354) 2.951 6.517 ( -3.932 -2.242 -1.164) 4.673 6.767 ( 6.939 18.668 3.496) 20.220 6.877 ( -3.938 16.211 1.695) 16.768 7.100 ( 5.887 -10.558 0.723) 12.110 7.144 ( 1.835 -9.972 -0.120) 10.140 7.354 ( 1.894 1.819 3.992) 4.778 7.412 ( -2.241 -2.940 4.359) 5.716 7.542 ( -0.189 -14.219 2.660) 14.466 7.563 ( -0.255 -7.366 -2.219) 7.698 7.661 ( -0.171 8.838 -2.687) 9.239 7.710 ( -5.898 -0.897 -0.689) 6.006 7.874 ( 1.915 -13.408 -3.580) 14.009 7.952 ( -5.955 -14.862 -4.433) 16.613 8.637 ( 5.538 15.826 -1.508) 16.835 8.671 ( 1.676 18.044 -2.093) 18.242 8.958 ( 7.352 -15.338 3.176) 17.304 9.007 ( 0.841 -16.280 3.401) 16.653 9.386 ( 7.670 12.163 6.382) 15.732 9.440 ( 6.515 11.068 4.401) 13.576 9.667 ( -6.597 2.809 7.516) 10.387 9.709 ( -7.125 1.452 6.499) 9.753 10.069 ( 5.047 -0.185 -1.356) 5.230 10.125 ( 1.389 -2.829 -2.287) 3.894 10.179 ( -7.202 3.453 -2.173) 8.277 10.220 ( -9.637 -0.463 -4.054) 10.465 10.697 ( -0.084 9.247 -0.958) 9.297 10.711 ( -1.265 10.382 -1.753) 10.605 10.902 ( 0.647 -10.365 -0.241) 10.388 10.951 ( -4.406 -12.381 -1.304) 13.206 11.238 ( 3.642 11.607 -0.996) 12.206 11.292 ( -1.990 12.755 -0.905) 12.941 11.372 ( 1.931 6.208 -4.858) 8.116 11.403 ( -1.239 1.895 -4.730) 5.244 11.575 ( 8.921 0.346 -1.737) 9.095 11.720 ( -6.291 3.411 -3.752) 8.080 11.766 ( 7.916 -14.389 -4.029) 16.910 11.893 ( -5.768 -12.296 -5.329) 14.589 12.873 ( 9.014 6.089 4.806) 11.892 12.972 ( 3.531 1.899 2.618) 4.789 13.109 ( -0.325 -7.409 8.201) 11.056 13.232 ( -8.440 -13.939 5.926) 17.339 14.008 ( 3.056 5.030 0.141) 5.887 14.036 ( 1.207 4.181 -0.141) 4.354 14.121 ( -0.371 -3.695 0.594) 3.761 14.153 ( -2.643 -5.041 0.173) 5.694 15.217 ( 12.161 19.123 6.949) 23.704 15.457 ( -11.830 16.780 0.257) 20.532 15.570 ( 10.583 -15.882 12.157) 22.628 15.789 ( -11.513 -15.838 6.750) 20.711 17.289 ( 2.432 17.327 -0.371) 17.501 17.347 ( -3.753 12.372 -1.788) 13.051 17.454 ( 0.577 -1.800 -3.762) 4.211 17.473 ( -1.256 -1.976 -4.436) 5.016 17.956 ( 6.810 23.377 0.040) 24.349 18.084 ( -7.010 17.876 -0.709) 19.215 18.325 ( 1.986 -3.616 -2.430) 4.788 18.366 ( -2.594 -2.699 -2.502) 4.502 18.516 ( 3.439 12.131 -12.246) 17.577 18.587 ( -4.096 11.456 -11.930) 17.039 18.857 ( 3.014 -14.841 -7.808) 17.039 18.901 ( -1.903 -15.421 -8.180) 17.560 24.190 ( 6.463 40.102 20.965) 45.710 24.335 ( -9.191 40.313 15.992) 44.332 24.905 ( 6.591 -33.956 15.486) 37.898 25.037 ( -7.398 -31.019 11.881) 34.030 25.326 ( 5.887 23.835 -15.373) 28.967 25.423 ( -4.458 24.525 -18.187) 30.856 25.817 ( 6.199 -25.294 -12.402) 28.845 25.916 ( -4.637 -25.522 -13.304) 29.153 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 0.000 5.266) 5.266 1.417 ( 0.000 0.000 7.293) 7.293 1.455 ( 0.000 0.000 2.198) 2.198 1.474 ( 0.000 0.000 -5.175) 5.175 1.528 ( 0.000 0.000 1.003) 1.003 1.544 ( 0.000 0.000 4.375) 4.375 1.561 ( 0.000 0.000 2.682) 2.682 1.592 ( 0.000 0.000 -0.829) 0.829 1.679 ( 0.000 0.000 -5.223) 5.223 1.730 ( 0.000 0.000 5.777) 5.777 1.735 ( 0.000 0.000 -6.638) 6.638 1.767 ( 0.000 0.000 -1.111) 1.111 1.945 ( 0.000 0.000 6.409) 6.409 2.126 ( 0.000 0.000 -1.689) 1.689 2.139 ( 0.000 0.000 0.898) 0.898 2.160 ( 0.000 0.000 -11.546) 11.546 2.249 ( 0.000 0.000 5.730) 5.730 2.358 ( 0.000 0.000 17.963) 17.963 2.448 ( 0.000 0.000 -10.358) 10.358 2.686 ( 0.000 0.000 -11.645) 11.645 3.216 ( 0.000 0.000 11.715) 11.715 3.478 ( 0.000 0.000 -12.224) 12.224 3.716 ( 0.000 0.000 6.756) 6.756 3.899 ( 0.000 0.000 -12.701) 12.701 3.944 ( 0.000 0.000 6.976) 6.976 4.016 ( 0.000 0.000 -0.461) 0.461 4.301 ( 0.000 0.000 6.369) 6.369 4.461 ( 0.000 0.000 -8.439) 8.439 4.680 ( 0.000 0.000 2.278) 2.278 4.690 ( 0.000 0.000 1.298) 1.298 5.311 ( 0.000 0.000 5.780) 5.780 5.320 ( 0.000 0.000 3.386) 3.386 5.480 ( 0.000 0.000 2.172) 2.172 5.621 ( 0.000 0.000 -9.233) 9.233 5.640 ( 0.000 0.000 2.280) 2.280 5.695 ( 0.000 0.000 -2.866) 2.866 5.783 ( 0.000 0.000 1.344) 1.344 5.810 ( 0.000 0.000 -1.903) 1.903 5.931 ( 0.000 0.000 11.389) 11.389 6.111 ( 0.000 0.000 -7.168) 7.168 6.319 ( 0.000 0.000 7.355) 7.355 6.459 ( 0.000 0.000 -6.095) 6.095 7.111 ( 0.000 0.000 4.682) 4.682 7.114 ( 0.000 0.000 6.088) 6.088 7.210 ( 0.000 0.000 -4.568) 4.568 7.293 ( 0.000 0.000 -11.520) 11.520 7.509 ( 0.000 0.000 1.136) 1.136 7.532 ( 0.000 0.000 -1.853) 1.853 7.848 ( 0.000 0.000 3.387) 3.387 8.033 ( 0.000 0.000 -14.232) 14.232 8.192 ( 0.000 0.000 2.786) 2.786 8.270 ( 0.000 0.000 -4.838) 4.838 8.765 ( 0.000 0.000 12.036) 12.036 8.916 ( 0.000 0.000 10.138) 10.138 8.990 ( 0.000 0.000 -10.203) 10.203 9.061 ( 0.000 0.000 -5.079) 5.079 9.155 ( 0.000 0.000 4.286) 4.286 9.271 ( 0.000 0.000 -5.746) 5.746 9.423 ( 0.000 0.000 2.548) 2.548 9.477 ( 0.000 0.000 -4.621) 4.621 9.542 ( 0.000 0.000 12.107) 12.107 9.736 ( 0.000 0.000 -7.247) 7.247 9.904 ( 0.000 0.000 3.151) 3.151 9.980 ( 0.000 0.000 -4.894) 4.894 10.544 ( 0.000 0.000 12.312) 12.312 10.747 ( 0.000 0.000 4.845) 4.845 10.809 ( 0.000 0.000 -14.438) 14.438 10.837 ( 0.000 0.000 -4.582) 4.582 11.132 ( 0.000 0.000 8.982) 8.982 11.171 ( 0.000 0.000 2.801) 2.801 11.219 ( 0.000 0.000 -2.296) 2.296 11.239 ( 0.000 0.000 -2.093) 2.093 11.744 ( 0.000 0.000 2.163) 2.163 11.795 ( 0.000 0.000 -2.376) 2.376 11.992 ( 0.000 0.000 -0.483) 0.483 12.089 ( 0.000 0.000 -9.830) 9.830 13.002 ( 0.000 0.000 9.539) 9.539 13.164 ( 0.000 0.000 -6.799) 6.799 13.640 ( 0.000 0.000 0.467) 0.467 13.644 ( 0.000 0.000 -0.272) 0.272 13.687 ( 0.000 0.000 15.797) 15.797 13.976 ( 0.000 0.000 -12.764) 12.764 14.435 ( 0.000 0.000 8.347) 8.347 14.592 ( 0.000 0.000 12.348) 12.348 14.635 ( 0.000 0.000 -11.162) 11.162 14.874 ( 0.000 0.000 -16.051) 16.051 15.445 ( 0.000 0.000 4.667) 4.667 15.535 ( 0.000 0.000 -4.396) 4.396 16.096 ( 0.000 0.000 2.447) 2.447 16.142 ( 0.000 0.000 -2.188) 2.188 16.395 ( 0.000 0.000 33.909) 33.909 16.985 ( 0.000 0.000 -23.730) 23.730 17.491 ( 0.000 0.000 3.003) 3.003 17.496 ( 0.000 0.000 2.401) 2.401 17.670 ( 0.000 0.000 -3.959) 3.959 17.836 ( 0.000 0.000 -17.145) 17.145 18.861 ( 0.000 0.000 0.608) 0.608 18.878 ( 0.000 0.000 -0.700) 0.700 19.068 ( 0.000 0.000 3.632) 3.632 19.139 ( 0.000 0.000 -3.596) 3.596 23.555 ( 0.000 0.000 27.588) 27.588 23.785 ( 0.000 0.000 19.210) 19.210 23.969 ( 0.000 0.000 -17.470) 17.470 24.285 ( 0.000 0.000 -28.821) 28.821 25.912 ( 0.000 0.000 12.229) 12.229 26.144 ( 0.000 0.000 -11.168) 11.168 26.270 ( 0.000 0.000 11.162) 11.162 26.477 ( 0.000 0.000 -9.757) 9.757 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.254 0.000 4.647) 4.654 1.416 ( 0.011 0.000 7.109) 7.109 1.451 ( -0.489 0.000 2.792) 2.835 1.455 ( -1.944 0.000 -3.840) 4.304 1.522 ( -0.421 0.000 1.845) 1.892 1.538 ( -0.540 0.000 3.122) 3.169 1.564 ( 0.219 0.000 2.428) 2.437 1.584 ( -0.817 0.000 0.211) 0.844 1.687 ( 0.816 0.000 -5.395) 5.456 1.731 ( -0.371 0.000 -6.570) 6.580 1.732 ( 0.070 0.000 2.174) 2.176 1.764 ( -0.582 0.000 -1.694) 1.791 1.974 ( 3.616 0.000 8.129) 8.897 2.069 ( -2.095 0.000 -2.987) 3.649 2.095 ( -3.962 0.000 -4.964) 6.352 2.178 ( 2.356 0.000 -8.641) 8.957 2.338 ( -2.571 0.000 13.979) 14.214 2.476 ( 22.229 0.000 11.425) 24.993 2.639 ( -6.087 0.000 -13.055) 14.404 2.685 ( 21.101 0.000 -8.942) 22.918 3.214 ( 1.128 0.000 13.102) 13.151 3.412 ( -5.003 0.000 -5.944) 7.769 3.841 ( 11.123 0.000 0.965) 11.165 3.874 ( -8.640 0.000 6.594) 10.868 3.930 ( -10.201 0.000 0.336) 10.206 3.945 ( 4.878 0.000 -9.795) 10.943 4.283 ( -1.082 0.000 4.718) 4.840 4.412 ( -4.714 0.000 -7.450) 8.816 4.784 ( 9.989 0.000 3.838) 10.700 4.847 ( 14.094 0.000 -2.584) 14.329 5.263 ( -3.858 0.000 5.421) 6.654 5.311 ( -1.955 0.000 0.826) 2.123 5.437 ( -4.671 0.000 4.189) 6.274 5.564 ( -4.977 0.000 -7.258) 8.800 5.590 ( -3.463 0.000 3.080) 4.634 5.655 ( -2.923 0.000 -3.652) 4.678 5.811 ( 3.570 0.000 2.165) 4.175 5.862 ( 5.210 0.000 -3.304) 6.170 6.006 ( 6.103 0.000 9.428) 11.231 6.154 ( 3.418 0.000 -5.642) 6.597 6.402 ( 8.257 0.000 2.223) 8.551 6.450 ( -0.664 0.000 -2.030) 2.136 7.015 ( -8.383 0.000 3.556) 9.105 7.029 ( -9.375 0.000 4.899) 10.578 7.090 ( -10.048 0.000 -3.772) 10.732 7.199 ( -7.400 0.000 -11.622) 13.778 7.563 ( 4.931 0.000 2.397) 5.483 7.612 ( 6.084 0.000 -2.243) 6.484 7.980 ( 11.664 0.000 2.552) 11.940 8.118 ( -6.300 0.000 3.520) 7.217 8.138 ( 9.311 0.000 -12.818) 15.843 8.222 ( -4.544 0.000 -6.638) 8.045 8.750 ( -1.362 0.000 11.048) 11.131 8.818 ( -17.318 0.000 4.459) 17.883 8.856 ( -17.662 0.000 -0.320) 17.665 8.960 ( -3.610 0.000 -9.797) 10.441 9.067 ( 3.439 0.000 5.858) 6.793 9.202 ( 4.472 0.000 -5.888) 7.394 9.476 ( -2.519 0.000 9.607) 9.932 9.638 ( 1.330 0.000 -5.249) 5.415 9.733 ( 14.486 0.000 1.650) 14.580 9.786 ( 12.660 0.000 -2.115) 12.835 9.928 ( 2.718 0.000 3.106) 4.127 9.997 ( 1.893 0.000 -3.950) 4.380 10.476 ( -5.915 0.000 9.706) 11.366 10.695 ( -10.589 0.000 -12.114) 16.089 10.788 ( 4.245 0.000 5.111) 6.644 10.871 ( 3.505 0.000 -3.683) 5.084 11.110 ( -2.264 0.000 8.204) 8.510 11.204 ( -3.708 0.000 -1.609) 4.042 11.235 ( 5.996 0.000 2.681) 6.568 11.289 ( 5.246 0.000 -2.832) 5.962 11.620 ( -9.139 0.000 0.772) 9.171 11.689 ( -9.666 0.000 -5.432) 11.088 12.083 ( 7.500 0.000 1.447) 7.639 12.176 ( 5.961 0.000 -7.555) 9.623 13.024 ( 2.155 0.000 8.414) 8.686 13.164 ( -0.356 0.000 -5.685) 5.696 13.692 ( 5.824 0.000 1.533) 6.023 13.718 ( 6.802 0.000 -1.200) 6.907 13.747 ( 7.143 0.000 13.784) 15.525 13.989 ( 1.718 0.000 -10.136) 10.280 14.389 ( -5.009 0.000 6.996) 8.604 14.554 ( -8.576 0.000 -8.451) 12.040 14.560 ( -2.984 0.000 10.722) 11.129 14.804 ( -7.364 0.000 -13.824) 15.663 15.451 ( 0.617 0.000 3.930) 3.978 15.523 ( -1.222 0.000 -3.382) 3.596 16.104 ( 0.745 0.000 1.931) 2.070 16.141 ( -0.196 0.000 -1.812) 1.823 16.533 ( 13.872 0.000 27.031) 30.382 17.009 ( 1.901 0.000 -17.738) 17.839 17.488 ( -0.216 0.000 2.933) 2.940 17.496 ( -0.106 0.000 2.125) 2.128 17.647 ( -2.131 0.000 -6.428) 6.772 17.795 ( -4.378 0.000 -17.321) 17.866 18.784 ( -5.658 0.000 1.297) 5.805 18.815 ( -5.531 0.000 -1.573) 5.750 19.140 ( 5.478 0.000 2.370) 5.969 19.187 ( 3.710 0.000 -2.317) 4.374 23.509 ( -4.119 0.000 24.050) 24.400 23.637 ( -10.252 0.000 12.324) 16.031 24.107 ( 9.460 0.000 -10.764) 14.330 24.304 ( 1.439 0.000 -24.938) 24.979 25.938 ( 2.855 0.000 11.884) 12.222 26.136 ( -1.280 0.000 -4.446) 4.627 26.277 ( 1.192 0.000 4.673) 4.822 26.455 ( -2.427 0.000 -9.648) 9.949 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 1.463 0.000 2.916) 3.263 1.412 ( -2.478 0.000 -0.246) 2.490 1.422 ( 0.662 0.000 6.341) 6.375 1.437 ( -0.940 0.000 4.654) 4.748 1.519 ( 0.165 0.000 1.994) 2.000 1.527 ( -0.607 0.000 2.008) 2.098 1.565 ( 0.117 0.000 1.189) 1.195 1.572 ( -0.509 0.000 0.308) 0.595 1.705 ( 1.006 0.000 -5.860) 5.945 1.721 ( -0.755 0.000 -6.313) 6.358 1.735 ( 0.372 0.000 -1.000) 1.067 1.747 ( -0.965 0.000 -2.159) 2.365 2.046 ( -0.566 0.000 -4.537) 4.572 2.050 ( -1.109 0.000 -4.784) 4.911 2.074 ( 6.960 0.000 10.020) 12.200 2.193 ( -4.363 0.000 8.773) 9.799 2.325 ( 5.199 0.000 -6.580) 8.386 2.480 ( -10.093 0.000 -11.671) 15.430 2.946 ( 26.407 0.000 9.208) 27.966 3.085 ( 18.060 0.000 -4.057) 18.510 3.263 ( 3.572 0.000 7.991) 8.753 3.330 ( -4.009 0.000 0.752) 4.079 3.610 ( -16.771 0.000 5.561) 17.669 3.669 ( -16.910 0.000 -0.062) 16.910 4.028 ( 7.026 0.000 -1.926) 7.285 4.045 ( 4.355 0.000 -4.163) 6.025 4.284 ( 1.228 0.000 0.744) 1.436 4.328 ( -3.761 0.000 -3.640) 5.234 4.958 ( 7.365 0.000 4.330) 8.544 5.028 ( 1.731 0.000 -2.132) 2.746 5.221 ( 0.690 0.000 3.590) 3.656 5.267 ( -2.263 0.000 -0.894) 2.433 5.372 ( 0.656 0.000 2.257) 2.351 5.462 ( -6.317 0.000 -6.009) 8.719 5.567 ( 1.029 0.000 1.200) 1.581 5.606 ( -2.610 0.000 -2.910) 3.909 5.910 ( 6.142 0.000 2.704) 6.711 5.955 ( 2.665 0.000 -1.534) 3.075 6.112 ( 5.396 0.000 5.957) 8.037 6.181 ( -1.352 0.000 -0.904) 1.626 6.462 ( 3.848 0.000 1.229) 4.039 6.541 ( 1.664 0.000 -7.238) 7.427 6.875 ( -1.192 0.000 5.560) 5.686 6.898 ( -2.806 0.000 0.904) 2.948 6.933 ( -6.145 0.000 -2.453) 6.617 7.029 ( -11.783 0.000 -10.278) 15.636 7.657 ( 4.132 0.000 2.013) 4.596 7.683 ( 1.249 0.000 -0.942) 1.565 8.055 ( 1.040 0.000 1.594) 1.903 8.132 ( -5.329 0.000 -6.151) 8.138 8.186 ( 9.524 0.000 0.572) 9.541 8.266 ( 2.089 0.000 -6.935) 7.243 8.545 ( -7.990 0.000 2.771) 8.457 8.583 ( -10.543 0.000 -1.092) 10.599 8.750 ( 2.854 0.000 3.803) 4.755 8.857 ( -7.295 0.000 -6.428) 9.723 9.190 ( 7.584 0.000 8.592) 11.460 9.283 ( -0.024 0.000 3.345) 3.345 9.443 ( 2.252 0.000 0.392) 2.286 9.552 ( -7.086 0.000 -6.705) 9.755 9.957 ( 8.019 0.000 2.755) 8.479 9.982 ( 5.532 0.000 0.179) 5.535 9.995 ( 4.069 0.000 2.946) 5.024 10.033 ( 0.789 0.000 -0.439) 0.903 10.401 ( -0.352 0.000 1.794) 1.829 10.496 ( -9.811 0.000 -7.211) 12.176 10.884 ( 5.552 0.000 5.112) 7.547 10.934 ( 1.609 0.000 0.407) 1.660 11.070 ( -0.773 0.000 4.467) 4.533 11.120 ( -4.952 0.000 -0.287) 4.961 11.333 ( 3.842 0.000 0.821) 3.929 11.356 ( 1.477 0.000 -1.401) 2.036 11.495 ( -3.198 0.000 -2.462) 4.036 11.529 ( -6.539 0.000 -5.430) 8.500 12.202 ( 4.861 0.000 0.240) 4.867 12.242 ( 0.739 0.000 -3.617) 3.691 13.075 ( 3.421 0.000 4.546) 5.690 13.136 ( -2.832 0.000 -1.395) 3.157 13.811 ( 5.694 0.000 1.737) 5.953 13.834 ( 3.875 0.000 -0.581) 3.918 13.935 ( 11.779 0.000 7.556) 13.995 14.036 ( 1.920 0.000 -2.258) 2.964 14.282 ( -4.496 0.000 2.132) 4.976 14.357 ( -11.326 0.000 -4.217) 12.085 14.529 ( 1.347 0.000 4.062) 4.279 14.638 ( -9.492 0.000 -6.805) 11.680 15.468 ( 1.287 0.000 1.878) 2.277 15.495 ( -1.671 0.000 -0.899) 1.897 16.120 ( 0.931 0.000 0.674) 1.149 16.134 ( -0.588 0.000 -0.753) 0.955 16.816 ( 14.939 0.000 13.864) 20.381 17.001 ( -4.613 0.000 -1.806) 4.955 17.487 ( 0.115 0.000 2.465) 2.468 17.491 ( -0.333 0.000 2.011) 2.039 17.626 ( 0.986 0.000 -13.504) 13.540 17.695 ( -5.811 0.000 -17.322) 18.271 18.711 ( -1.746 0.000 0.395) 1.790 18.727 ( -3.361 0.000 -1.124) 3.544 19.219 ( 2.794 0.000 0.865) 2.925 19.235 ( 1.100 0.000 -0.661) 1.284 23.451 ( -1.199 0.000 18.504) 18.543 23.489 ( -5.457 0.000 14.273) 15.281 24.248 ( 5.741 0.000 -13.329) 14.513 24.311 ( -1.234 0.000 -18.523) 18.564 26.007 ( 4.474 0.000 10.454) 11.371 26.087 ( -3.971 0.000 6.185) 7.350 26.323 ( 3.655 0.000 -5.343) 6.473 26.395 ( -3.948 0.000 -8.842) 9.683 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 1.357 5.760) 5.918 1.472 ( 0.000 0.111 -4.769) 4.771 1.494 ( 0.000 1.488 2.433) 2.852 1.503 ( 0.000 -0.605 0.301) 0.675 1.597 ( 0.000 3.514 7.279) 8.083 1.633 ( 0.000 5.179 3.800) 6.424 1.707 ( 0.000 2.466 3.494) 4.276 1.712 ( 0.000 1.798 0.784) 1.962 1.751 ( 0.000 5.082 -0.806) 5.145 1.807 ( 0.000 6.568 -7.450) 9.931 2.011 ( 0.000 7.334 7.528) 10.510 2.095 ( 0.000 5.411 -0.271) 5.418 2.132 ( 0.000 2.782 -1.555) 3.187 2.193 ( 0.000 21.151 4.808) 21.690 2.221 ( 0.000 5.518 -8.708) 10.308 2.243 ( 0.000 45.661 -0.016) 45.661 2.283 ( 0.000 27.915 1.818) 27.974 2.446 ( 0.000 0.844 -10.032) 10.067 2.603 ( 0.000 27.844 9.412) 29.391 2.804 ( 0.000 14.641 -8.416) 16.888 3.210 ( 0.000 0.234 15.098) 15.100 3.489 ( 0.000 0.764 -12.346) 12.369 3.704 ( 0.000 -0.230 4.025) 4.032 3.780 ( 0.000 -6.865 -2.036) 7.161 4.007 ( 0.000 2.070 0.117) 2.074 4.040 ( 0.000 0.839 -2.062) 2.226 4.340 ( 0.000 3.485 3.737) 5.110 4.479 ( 0.000 1.538 -8.511) 8.649 4.780 ( 0.000 9.525 1.741) 9.683 4.789 ( 0.000 9.307 1.012) 9.362 5.253 ( 0.000 -15.104 5.845) 16.196 5.290 ( 0.000 -5.810 1.535) 6.009 5.318 ( 0.000 0.560 4.387) 4.422 5.443 ( 0.000 -9.860 -7.123) 12.164 5.552 ( 0.000 -7.777 -0.407) 7.788 5.573 ( 0.000 -8.155 -1.555) 8.302 5.915 ( 0.000 13.858 1.335) 13.922 5.965 ( 0.000 14.170 -2.771) 14.438 6.313 ( 0.000 4.296 4.492) 6.216 6.376 ( 0.000 12.575 -2.434) 12.809 6.522 ( 0.000 28.852 1.535) 28.893 6.572 ( 0.000 28.874 -1.187) 28.899 6.925 ( 0.000 -9.590 1.382) 9.689 6.949 ( 0.000 -7.522 -0.486) 7.538 7.220 ( 0.000 -4.480 3.974) 5.989 7.317 ( 0.000 -4.477 -5.603) 7.172 7.623 ( 0.000 4.119 3.327) 5.295 7.663 ( 0.000 11.837 1.354) 11.914 7.870 ( 0.000 3.469 -4.261) 5.495 7.878 ( 0.000 -12.149 -3.257) 12.578 8.185 ( 0.000 -4.240 -5.468) 6.919 8.201 ( 0.000 -6.523 -4.904) 8.161 8.594 ( 0.000 -10.015 3.255) 10.531 8.661 ( 0.000 -14.283 -2.830) 14.561 9.053 ( 0.000 1.015 11.269) 11.315 9.246 ( 0.000 -0.369 -7.068) 7.077 9.341 ( 0.000 -2.982 2.988) 4.221 9.397 ( 0.000 20.395 4.268) 20.836 9.428 ( 0.000 -3.939 -5.570) 6.822 9.481 ( 0.000 16.333 -2.015) 16.457 9.635 ( 0.000 14.282 8.825) 16.789 9.758 ( 0.000 6.455 -2.551) 6.941 10.053 ( 0.000 13.414 -0.386) 13.420 10.085 ( 0.000 10.555 -3.750) 11.202 10.515 ( 0.000 -2.646 7.303) 7.767 10.607 ( 0.000 -8.341 -0.727) 8.372 10.828 ( 0.000 -4.110 -1.183) 4.277 10.844 ( 0.000 0.215 -3.236) 3.243 11.129 ( 0.000 6.185 0.302) 6.192 11.160 ( 0.000 -1.603 -1.838) 2.439 11.320 ( 0.000 8.668 2.674) 9.071 11.332 ( 0.000 4.635 0.921) 4.725 11.687 ( 0.000 -5.535 3.563) 6.583 11.757 ( 0.000 -3.306 -2.649) 4.236 11.930 ( 0.000 -6.529 -0.764) 6.573 12.034 ( 0.000 -5.702 -10.705) 12.129 12.915 ( 0.000 -8.174 8.330) 11.670 13.057 ( 0.000 -9.752 -6.019) 11.460 13.593 ( 0.000 -8.023 13.493) 15.699 13.712 ( 0.000 6.175 2.135) 6.534 13.717 ( 0.000 5.098 -1.436) 5.297 13.881 ( 0.000 -8.217 -11.990) 14.535 14.368 ( 0.000 -5.068 5.128) 7.210 14.469 ( 0.000 -10.269 -4.114) 11.062 14.682 ( 0.000 8.524 11.408) 14.241 14.959 ( 0.000 8.784 -15.957) 18.215 15.889 ( 0.000 42.028 8.656) 42.910 16.040 ( 0.000 42.274 -4.012) 42.464 16.225 ( 0.000 -1.183 18.528) 18.566 16.349 ( 0.000 18.667 -4.081) 19.108 16.475 ( 0.000 21.778 14.654) 26.249 16.952 ( 0.000 0.077 -24.825) 24.825 17.492 ( 0.000 0.109 2.815) 2.817 17.505 ( 0.000 0.872 0.443) 0.978 17.712 ( 0.000 5.158 -3.521) 6.245 17.841 ( 0.000 1.053 -14.801) 14.839 18.838 ( 0.000 -2.626 0.267) 2.639 18.853 ( 0.000 -2.983 -0.703) 3.064 19.035 ( 0.000 -3.729 3.873) 5.376 19.112 ( 0.000 -3.076 -3.985) 5.034 23.671 ( 0.000 12.885 27.176) 30.076 23.852 ( 0.000 7.782 18.155) 19.753 24.062 ( 0.000 10.438 -16.500) 19.525 24.348 ( 0.000 7.232 -28.473) 29.377 25.837 ( 0.000 -8.297 12.484) 14.989 26.073 ( 0.000 -7.883 -11.270) 13.753 26.211 ( 0.000 -6.979 11.265) 13.251 26.421 ( 0.000 -6.589 -10.037) 12.006 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.682 1.469 5.009) 5.264 1.457 ( -1.444 0.474 -3.731) 4.029 1.487 ( -0.226 1.410 3.500) 3.780 1.514 ( 0.487 0.001 -0.229) 0.538 1.582 ( -1.483 3.465 7.599) 8.482 1.608 ( -1.904 4.806 6.631) 8.407 1.691 ( -0.725 1.648 0.452) 1.857 1.698 ( -0.878 1.786 0.364) 2.023 1.761 ( -0.772 4.599 -5.783) 7.429 1.790 ( -1.034 3.755 -6.546) 7.617 2.034 ( -1.632 3.832 1.878) 4.569 2.048 ( -1.267 0.129 -2.361) 2.683 2.123 ( 4.478 10.996 2.614) 12.157 2.230 ( 0.255 45.659 -0.802) 45.666 2.237 ( 0.561 47.742 -0.083) 47.745 2.296 ( 5.544 13.707 -7.542) 16.599 2.476 ( 21.353 1.280 10.987) 24.048 2.570 ( -3.109 27.859 8.263) 29.224 2.677 ( 20.462 -0.686 -8.492) 22.165 2.757 ( -5.553 14.630 -8.907) 18.006 3.240 ( 3.873 3.179 14.793) 15.618 3.457 ( -2.426 4.483 -6.487) 8.250 3.763 ( 1.272 -6.197 1.830) 6.586 3.803 ( 2.968 -4.613 -2.143) 5.889 3.926 ( -6.574 1.303 4.669) 8.168 4.044 ( -1.150 3.669 -7.232) 8.191 4.282 ( -4.501 0.367 3.753) 5.871 4.408 ( -6.265 -0.383 -7.647) 9.893 4.828 ( 4.449 4.500 3.348) 7.159 4.885 ( 6.797 4.242 -2.414) 8.368 5.216 ( -3.770 -11.138 4.706) 12.666 5.249 ( -3.876 -6.958 1.198) 8.055 5.318 ( 0.439 -0.603 3.106) 3.194 5.405 ( -3.018 -7.810 -5.817) 10.195 5.537 ( -0.538 -7.758 0.949) 7.835 5.583 ( -0.226 -5.215 -3.391) 6.225 5.920 ( 1.485 12.220 2.606) 12.582 5.980 ( 1.645 11.152 -2.682) 11.587 6.315 ( 1.684 10.345 5.851) 12.004 6.414 ( 2.124 3.349 -3.893) 5.557 6.566 ( 3.581 26.392 2.768) 26.777 6.652 ( 8.173 31.811 -2.869) 32.970 6.814 ( -9.767 -7.353 1.497) 12.316 6.849 ( -8.802 -5.794 -2.411) 10.810 7.257 ( 3.047 1.944 4.249) 5.578 7.352 ( 1.877 3.609 -5.193) 6.597 7.594 ( 1.554 -0.051 3.675) 3.990 7.676 ( -0.470 8.985 -3.921) 9.815 7.924 ( 0.409 -4.559 1.095) 4.706 7.937 ( 6.382 -8.943 -0.263) 10.990 8.157 ( -4.169 -5.670 -5.681) 9.045 8.166 ( -0.377 -4.668 -7.743) 9.049 8.580 ( -2.142 -9.872 1.990) 10.296 8.630 ( -4.771 -13.800 -2.657) 14.842 8.938 ( -9.522 5.223 7.741) 13.337 9.025 ( -12.366 4.498 -0.816) 13.184 9.318 ( 0.074 14.565 1.474) 14.639 9.377 ( 1.705 14.247 -2.123) 14.505 9.519 ( 0.497 1.401 5.471) 5.669 9.600 ( 3.332 -1.831 0.508) 3.836 9.750 ( 10.456 5.143 -0.603) 11.668 9.779 ( 5.089 5.206 -1.193) 7.377 10.072 ( 2.079 12.514 0.363) 12.690 10.096 ( 0.827 8.947 -2.348) 9.286 10.481 ( -2.348 0.285 5.988) 6.438 10.588 ( -2.910 -6.627 -3.605) 8.086 10.839 ( 1.691 0.842 0.019) 1.889 10.868 ( 2.818 -0.387 -2.663) 3.897 11.099 ( -1.852 3.103 4.167) 5.515 11.167 ( -1.739 -1.221 -2.030) 2.939 11.331 ( 1.864 4.544 2.698) 5.604 11.370 ( 3.439 6.417 -0.449) 7.294 11.560 ( -9.394 -5.816 2.005) 11.229 11.658 ( -8.896 -2.032 -6.349) 11.117 12.022 ( 7.616 -6.437 1.486) 10.082 12.120 ( 5.773 -5.855 -7.941) 11.430 12.948 ( 3.320 -7.110 7.477) 10.838 13.075 ( 1.393 -8.306 -5.263) 9.932 13.638 ( 4.890 -9.839 12.803) 16.871 13.743 ( 4.327 3.967 1.523) 6.065 13.781 ( 5.501 5.526 -1.269) 7.900 13.879 ( 0.202 -9.776 -9.783) 13.832 14.331 ( -3.936 -4.402 4.338) 7.327 14.420 ( -5.243 -8.522 -3.791) 10.700 14.656 ( -2.280 9.565 10.137) 14.123 14.895 ( -6.677 9.433 -13.690) 17.916 15.873 ( -1.387 38.035 6.860) 38.674 15.954 ( -5.470 32.750 1.878) 33.257 16.319 ( 4.330 13.939 6.716) 16.067 16.391 ( 2.588 27.045 -3.513) 27.394 16.551 ( 11.042 9.982 17.073) 22.650 16.974 ( 1.924 0.007 -20.057) 20.149 17.491 ( 0.029 0.348 2.569) 2.592 17.505 ( 0.064 0.885 0.142) 0.899 17.684 ( -2.720 4.683 -5.249) 7.542 17.799 ( -4.468 0.940 -14.901) 15.585 18.763 ( -5.523 -2.353 0.984) 6.083 18.791 ( -5.339 -2.774 -1.411) 6.180 19.105 ( 5.335 -3.905 2.402) 7.034 19.156 ( 3.423 -3.483 -2.660) 5.561 23.629 ( -3.740 13.294 23.985) 27.677 23.734 ( -8.598 10.874 13.134) 19.096 24.177 ( 8.370 7.967 -11.654) 16.412 24.363 ( 1.127 6.863 -24.914) 25.866 25.865 ( 2.915 -8.242 12.115) 14.940 26.065 ( -1.281 -7.909 -4.677) 9.278 26.218 ( 1.211 -6.943 4.904) 8.586 26.398 ( -2.479 -6.632 -9.899) 12.170 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.790 1.456 3.155) 3.908 1.421 ( -2.362 1.016 -0.136) 2.575 1.494 ( 1.026 1.749 3.159) 3.754 1.513 ( -0.673 0.782 0.635) 1.211 1.564 ( -0.217 3.320 6.731) 7.508 1.576 ( -1.476 4.294 7.490) 8.758 1.685 ( -0.018 1.654 -0.713) 1.801 1.688 ( -0.315 1.444 -0.936) 1.749 1.749 ( 0.102 2.715 -7.783) 8.243 1.766 ( -1.508 3.001 -7.537) 8.252 2.014 ( -0.150 -1.326 -2.341) 2.694 2.023 ( -1.041 -1.627 -3.727) 4.198 2.222 ( 1.450 48.402 0.920) 48.433 2.232 ( -0.237 51.892 -0.361) 51.894 2.277 ( 7.230 20.012 5.790) 22.052 2.383 ( -0.112 8.307 -0.420) 8.319 2.506 ( 0.740 29.650 0.153) 29.660 2.619 ( -8.423 18.150 -7.404) 21.336 2.940 ( 25.242 -0.736 8.230) 26.560 3.061 ( 16.732 -2.340 -3.275) 17.209 3.332 ( 5.336 7.280 9.232) 12.911 3.414 ( -2.621 8.495 1.288) 8.983 3.613 ( -15.446 0.390 4.460) 16.082 3.651 ( -13.471 -2.028 0.888) 13.652 3.996 ( 7.288 -3.201 -1.541) 8.108 4.043 ( 1.312 -0.213 -6.373) 6.510 4.237 ( 0.056 -4.813 1.016) 4.920 4.295 ( -5.588 -3.503 -4.542) 8.008 4.884 ( 2.037 -4.565 2.275) 5.492 4.933 ( -2.188 -6.279 -2.262) 7.024 5.170 ( -0.138 -6.980 1.591) 7.161 5.190 ( -2.037 -5.932 -0.025) 6.272 5.336 ( 1.575 0.363 0.274) 1.639 5.366 ( -1.608 -3.525 -3.271) 5.070 5.539 ( 0.939 -5.055 -0.212) 5.146 5.565 ( -1.501 -4.971 -2.844) 5.920 5.977 ( 3.870 8.112 3.338) 9.588 6.012 ( 0.681 7.098 0.361) 7.139 6.373 ( 4.514 10.909 3.939) 12.445 6.438 ( -0.255 6.490 -1.635) 6.698 6.573 ( -2.327 5.302 6.673) 8.835 6.637 ( -8.357 -4.411 3.044) 9.928 6.768 ( 2.411 15.868 -6.222) 17.214 6.787 ( 2.780 22.780 -10.385) 25.190 7.304 ( 4.739 19.527 4.904) 20.684 7.393 ( -0.683 20.604 -3.667) 20.939 7.637 ( 1.854 -3.960 -0.223) 4.378 7.669 ( -0.851 3.173 -3.187) 4.577 7.890 ( 0.512 -12.404 3.349) 12.858 7.968 ( -5.272 -12.960 -3.845) 14.510 8.136 ( 2.939 -6.535 -2.588) 7.618 8.171 ( -0.433 -9.104 -5.685) 10.742 8.501 ( -4.280 -6.601 0.947) 7.923 8.515 ( -5.305 -5.960 -0.312) 7.985 8.846 ( 0.571 8.532 3.043) 9.076 8.899 ( -4.026 5.325 -1.435) 6.828 9.344 ( 2.167 12.982 5.470) 14.253 9.386 ( -1.775 10.454 4.844) 11.657 9.519 ( 1.985 4.882 -0.863) 5.340 9.576 ( -3.572 0.844 -3.159) 4.843 9.899 ( 6.291 -1.913 1.669) 6.784 9.919 ( 5.529 -1.524 0.388) 5.749 10.085 ( -0.248 5.496 0.215) 5.506 10.108 ( -0.792 6.285 -1.831) 6.594 10.467 ( 1.067 5.377 1.190) 5.609 10.514 ( -4.020 1.472 -3.343) 5.432 10.900 ( 4.353 2.581 2.757) 5.763 10.930 ( 2.604 0.492 -0.118) 2.653 11.061 ( -1.553 0.562 3.269) 3.663 11.100 ( -4.636 -1.308 -0.510) 4.844 11.365 ( 1.447 -1.840 2.566) 3.473 11.413 ( -3.835 -0.064 3.635) 5.284 11.445 ( 2.424 0.579 -5.584) 6.115 11.519 ( -5.555 2.129 -6.848) 9.071 12.141 ( 4.861 -6.353 0.157) 8.001 12.182 ( 0.616 -6.272 -3.758) 7.337 13.020 ( 4.155 -5.120 4.307) 7.876 13.077 ( -1.635 -5.429 -1.285) 5.814 13.751 ( 6.420 -12.440 5.887) 15.186 13.819 ( 0.086 -6.999 -0.877) 7.055 13.871 ( 5.682 1.779 1.861) 6.238 13.915 ( 2.382 -4.963 -1.485) 5.701 14.254 ( -2.742 -2.506 1.174) 3.896 14.299 ( -6.808 -4.121 -2.793) 8.434 14.642 ( 2.058 11.531 3.843) 12.328 14.746 ( -8.511 11.092 -6.550) 15.439 15.857 ( -0.020 33.017 4.164) 33.278 15.880 ( -2.638 31.479 2.759) 31.710 16.373 ( 2.182 22.396 3.945) 22.846 16.400 ( -0.809 27.199 1.687) 27.263 16.810 ( 13.891 3.907 6.136) 15.680 16.974 ( -3.657 1.013 -7.177) 8.119 17.497 ( 0.652 1.147 1.935) 2.342 17.507 ( -0.110 1.444 0.709) 1.613 17.644 ( -0.330 2.643 -11.045) 11.362 17.699 ( -5.596 0.911 -14.800) 15.849 18.692 ( -1.758 -2.218 0.261) 2.842 18.706 ( -3.207 -2.387 -1.068) 4.138 19.183 ( 2.774 -4.106 0.767) 5.014 19.199 ( 0.924 -3.957 -0.895) 4.160 23.577 ( -1.128 13.827 18.851) 23.406 23.608 ( -4.666 13.255 14.863) 20.454 24.305 ( 5.394 6.600 -13.961) 16.358 24.366 ( -1.353 6.395 -18.905) 20.003 25.935 ( 4.556 -8.104 10.587) 14.089 26.016 ( -4.007 -7.968 6.070) 10.788 26.264 ( 3.705 -6.872 -5.229) 9.396 26.337 ( -4.028 -6.745 -8.983) 11.934 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 2.451 4.324) 4.971 1.474 ( 0.000 -0.089 -1.510) 1.513 1.492 ( 0.000 -0.421 -1.414) 1.475 1.497 ( 0.000 -0.351 -0.093) 0.363 1.644 ( 0.000 2.056 5.930) 6.277 1.678 ( 0.000 -0.141 1.124) 1.132 1.733 ( 0.000 0.873 1.618) 1.838 1.763 ( 0.000 4.952 2.592) 5.589 1.832 ( 0.000 4.284 1.979) 4.719 1.869 ( 0.000 -0.322 -6.140) 6.148 2.054 ( 0.000 -2.123 0.818) 2.275 2.107 ( 0.000 1.903 8.600) 8.808 2.112 ( 0.000 -2.868 -3.134) 4.248 2.207 ( 0.000 -1.183 11.557) 11.617 2.316 ( 0.000 4.241 -10.191) 11.038 2.436 ( 0.000 -0.538 -10.415) 10.429 3.075 ( 0.000 10.115 4.910) 11.244 3.161 ( 0.000 23.485 -4.267) 23.869 3.287 ( 0.000 9.443 6.333) 11.370 3.308 ( 0.000 43.378 0.558) 43.382 3.329 ( 0.000 52.393 1.349) 52.411 3.473 ( 0.000 6.018 -8.724) 10.598 3.783 ( 0.000 11.329 1.766) 11.466 3.792 ( 0.000 12.878 0.592) 12.892 4.019 ( 0.000 -0.312 1.774) 1.802 4.032 ( 0.000 -0.491 -0.526) 0.720 4.401 ( 0.000 2.678 -0.325) 2.697 4.499 ( 0.000 0.228 -8.383) 8.386 4.895 ( 0.000 -8.077 1.175) 8.162 4.927 ( 0.000 -2.436 -1.059) 2.657 5.020 ( 0.000 -0.803 0.464) 0.927 5.029 ( 0.000 -12.183 -1.054) 12.228 5.355 ( 0.000 2.895 6.282) 6.916 5.403 ( 0.000 2.457 1.490) 2.874 5.465 ( 0.000 -1.535 -2.050) 2.561 5.478 ( 0.000 -2.654 -2.611) 3.723 6.158 ( 0.000 12.303 2.483) 12.551 6.236 ( 0.000 14.890 -5.057) 15.726 6.460 ( 0.000 11.839 6.673) 13.590 6.524 ( 0.000 9.823 -1.164) 9.892 6.712 ( 0.000 -5.989 0.499) 6.010 6.776 ( 0.000 -4.029 -4.129) 5.769 7.051 ( 0.000 -3.644 4.775) 6.007 7.159 ( 0.000 1.836 -7.055) 7.290 7.222 ( 0.000 9.835 2.826) 10.233 7.238 ( 0.000 22.248 1.523) 22.300 7.592 ( 0.000 -1.636 6.256) 6.466 7.663 ( 0.000 -7.940 0.433) 7.952 7.797 ( 0.000 -0.142 6.318) 6.320 7.937 ( 0.000 -1.435 -7.861) 7.991 8.013 ( 0.000 -12.484 -3.521) 12.971 8.074 ( 0.000 -3.683 -8.000) 8.807 8.439 ( 0.000 -8.317 -0.817) 8.357 8.465 ( 0.000 -3.783 -3.942) 5.464 8.957 ( 0.000 -12.160 10.246) 15.901 9.099 ( 0.000 -13.156 -4.454) 13.890 9.320 ( 0.000 4.174 3.361) 5.359 9.382 ( 0.000 -0.268 -2.443) 2.458 9.695 ( 0.000 9.122 3.316) 9.706 9.714 ( 0.000 12.511 1.779) 12.637 10.045 ( 0.000 16.354 2.607) 16.560 10.051 ( 0.000 16.590 0.709) 16.605 10.255 ( 0.000 7.347 1.877) 7.583 10.282 ( 0.000 10.720 -1.254) 10.793 10.565 ( 0.000 11.013 -0.822) 11.044 10.572 ( 0.000 6.417 -2.175) 6.776 10.744 ( 0.000 0.116 2.518) 2.521 10.817 ( 0.000 -1.319 -4.656) 4.840 11.209 ( 0.000 6.872 3.358) 7.648 11.280 ( 0.000 5.964 -2.144) 6.337 11.324 ( 0.000 -6.768 1.893) 7.027 11.385 ( 0.000 -2.888 -5.372) 6.099 11.607 ( 0.000 -1.323 11.806) 11.880 11.698 ( 0.000 -4.585 -0.002) 4.585 11.764 ( 0.000 -9.749 -3.418) 10.331 11.902 ( 0.000 -6.683 -13.970) 15.487 12.750 ( 0.000 -8.002 5.668) 9.806 12.857 ( 0.000 -10.447 -5.012) 11.587 13.436 ( 0.000 -7.526 10.541) 12.952 13.623 ( 0.000 -11.796 -7.709) 14.091 13.842 ( 0.000 7.015 1.935) 7.277 13.885 ( 0.000 5.811 -2.143) 6.193 14.279 ( 0.000 -4.423 2.626) 5.144 14.313 ( 0.000 -6.701 -0.645) 6.732 14.916 ( 0.000 16.139 12.410) 20.358 15.190 ( 0.000 15.553 -14.860) 21.511 16.031 ( 0.000 -15.311 23.209) 27.804 16.301 ( 0.000 -11.680 -0.713) 11.701 16.780 ( 0.000 45.195 11.889) 46.732 17.045 ( 0.000 43.960 -15.196) 46.512 17.097 ( 0.000 36.756 -1.291) 36.779 17.152 ( 0.000 16.929 -10.494) 19.917 17.501 ( 0.000 1.298 3.204) 3.457 17.551 ( 0.000 7.372 -3.266) 8.063 17.919 ( 0.000 18.573 -5.996) 19.517 17.926 ( 0.000 10.491 -6.859) 12.535 18.747 ( 0.000 -9.074 0.158) 9.075 18.752 ( 0.000 -7.000 -1.279) 7.116 18.920 ( 0.000 -8.859 4.028) 9.732 19.011 ( 0.000 -8.230 -5.090) 9.677 24.038 ( 0.000 24.255 28.978) 37.789 24.127 ( 0.000 24.524 11.316) 27.009 24.375 ( 0.000 22.813 -13.675) 26.598 24.586 ( 0.000 19.195 -26.779) 32.948 25.584 ( 0.000 -19.138 13.503) 23.422 25.835 ( 0.000 -17.867 -11.816) 21.421 25.976 ( 0.000 -19.002 11.362) 22.140 26.198 ( 0.000 -18.166 -11.020) 21.247 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.658 2.399 3.717) 4.472 1.467 ( -0.827 0.494 -1.944) 2.170 1.491 ( 0.321 -0.250 0.374) 0.553 1.506 ( 0.553 -0.728 -0.849) 1.248 1.634 ( -1.048 2.392 6.821) 7.304 1.676 ( -0.646 1.168 2.340) 2.694 1.709 ( -2.763 2.968 3.888) 5.618 1.715 ( -1.470 0.641 2.049) 2.603 1.817 ( -3.426 0.542 -6.795) 7.629 1.829 ( -1.225 2.117 -3.829) 4.543 2.005 ( -2.980 -3.350 -1.356) 4.684 2.029 ( -4.337 -2.229 -3.065) 5.760 2.267 ( 13.339 5.568 6.410) 15.812 2.409 ( 8.833 5.970 -6.756) 12.622 2.462 ( 21.842 -0.619 10.420) 24.209 2.647 ( 18.888 -1.896 -7.591) 20.444 3.059 ( -1.442 13.705 4.423) 14.473 3.132 ( -2.815 23.306 -2.750) 23.636 3.297 ( 0.284 44.052 1.196) 44.069 3.328 ( 0.068 48.724 -1.349) 48.743 3.361 ( 6.254 15.067 6.943) 17.729 3.503 ( 2.813 4.403 -5.490) 7.579 3.775 ( -1.893 11.758 2.141) 12.101 3.796 ( -0.023 7.603 -1.291) 7.712 3.937 ( -6.682 0.286 5.673) 8.770 4.047 ( -0.331 -1.544 -4.478) 4.748 4.313 ( -8.584 1.875 0.221) 8.789 4.406 ( -9.034 0.264 -7.299) 11.618 4.889 ( -0.595 -2.969 0.321) 3.045 4.917 ( -1.960 -7.930 -2.153) 8.448 5.008 ( 0.287 -4.994 2.729) 5.699 5.062 ( 0.229 -6.096 -2.884) 6.747 5.325 ( -1.016 1.085 3.524) 3.825 5.378 ( -2.130 1.244 -2.022) 3.189 5.433 ( -0.150 -2.191 3.789) 4.379 5.507 ( -0.625 -2.507 -3.671) 4.489 6.143 ( -0.884 11.386 2.058) 11.604 6.209 ( -2.152 13.269 -4.087) 14.050 6.499 ( 3.749 12.035 5.237) 13.650 6.518 ( -0.811 8.138 1.300) 8.281 6.648 ( -5.926 -5.183 0.536) 7.891 6.727 ( -4.311 -0.927 -4.821) 6.534 7.069 ( 1.761 4.108 3.641) 5.765 7.161 ( 0.341 5.784 -5.240) 7.812 7.312 ( 8.636 10.782 3.093) 14.156 7.354 ( 10.502 6.094 -1.246) 12.205 7.566 ( -0.322 -1.502 7.010) 7.177 7.648 ( -1.994 -6.411 -0.246) 6.718 7.834 ( 2.296 -5.060 4.779) 7.328 7.935 ( -0.965 -5.627 -5.028) 7.608 8.005 ( -1.680 -7.260 -5.029) 8.990 8.054 ( -2.499 -2.840 -8.472) 9.279 8.395 ( -3.003 -6.259 0.864) 6.996 8.441 ( -2.006 -5.374 -3.598) 6.771 8.996 ( 3.555 -1.169 7.558) 8.434 9.106 ( 0.155 0.135 -3.653) 3.659 9.351 ( 3.155 -2.434 4.324) 5.880 9.401 ( 2.257 -4.176 -0.244) 4.753 9.692 ( -1.751 11.832 3.454) 12.449 9.711 ( -0.467 10.903 1.825) 11.064 9.991 ( -2.502 16.327 2.503) 16.706 10.042 ( -2.383 15.446 -1.759) 15.728 10.201 ( -5.455 2.677 1.307) 6.216 10.250 ( -2.522 1.907 -2.847) 4.254 10.527 ( -0.372 7.419 2.121) 7.726 10.573 ( -0.169 4.921 -2.518) 5.531 10.860 ( 6.039 3.929 -0.506) 7.222 10.878 ( 8.220 4.978 -1.865) 9.789 11.191 ( -2.485 6.448 2.588) 7.379 11.237 ( -4.332 5.014 -1.038) 6.707 11.284 ( -3.472 -8.497 2.327) 9.470 11.365 ( -3.997 -6.637 -6.062) 9.838 11.531 ( -1.657 2.824 7.945) 8.594 11.666 ( -4.197 1.700 -5.758) 7.326 11.851 ( 7.935 -11.437 1.943) 14.055 11.972 ( 4.462 -9.210 -9.231) 13.782 12.809 ( 5.942 -6.340 5.296) 10.175 12.907 ( 4.924 -8.426 -4.528) 10.758 13.446 ( 0.944 -9.502 10.271) 14.024 13.615 ( -1.408 -13.156 -6.171) 14.600 13.869 ( 2.871 5.665 1.123) 6.450 13.898 ( 1.931 5.623 -1.510) 6.134 14.252 ( -2.807 -4.024 2.480) 5.497 14.291 ( -2.600 -5.659 -1.219) 6.345 14.912 ( -0.073 17.347 10.510) 20.283 15.143 ( -4.943 16.632 -12.562) 21.421 16.052 ( 2.227 -13.310 19.234) 23.496 16.261 ( -3.872 -9.025 0.360) 9.827 16.820 ( 4.023 40.199 11.814) 42.092 17.044 ( -2.395 31.792 -4.506) 32.198 17.115 ( 4.805 38.993 -7.820) 40.058 17.203 ( 4.076 22.801 -10.912) 25.604 17.507 ( 0.926 2.150 2.604) 3.501 17.558 ( 0.905 9.042 -3.646) 9.791 17.868 ( -4.859 12.929 -5.921) 15.028 17.892 ( -4.028 15.573 -7.938) 17.937 18.683 ( -4.990 -6.825 0.165) 8.456 18.698 ( -4.520 -7.572 -0.907) 8.865 18.983 ( 4.724 -9.684 2.195) 10.996 19.042 ( 2.462 -9.245 -3.690) 10.255 24.007 ( -2.558 25.696 25.126) 36.030 24.079 ( -4.202 27.576 12.731) 30.663 24.434 ( 5.164 19.949 -13.433) 24.598 24.591 ( 0.217 18.441 -24.382) 30.571 25.612 ( 3.036 -19.100 13.138) 23.380 25.826 ( -1.474 -18.056 -4.506) 18.668 25.985 ( 1.365 -18.873 4.345) 19.415 26.174 ( -2.556 -18.184 -10.914) 21.361 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.321 2.045 2.194) 3.277 1.444 ( -1.569 1.283 -0.140) 2.032 1.502 ( 0.713 -0.423 0.169) 0.846 1.511 ( -0.140 -0.793 -0.544) 0.972 1.622 ( 0.226 3.143 6.895) 7.581 1.644 ( -1.977 3.294 6.378) 7.445 1.694 ( 0.117 0.158 0.718) 0.745 1.699 ( -0.410 0.350 0.257) 0.597 1.780 ( -0.447 0.903 -6.943) 7.015 1.796 ( -1.847 0.973 -6.437) 6.767 1.971 ( -0.627 -3.211 -2.385) 4.049 1.980 ( -1.484 -3.020 -3.603) 4.930 2.482 ( 8.487 9.683 1.850) 13.008 2.532 ( 3.051 9.402 -2.981) 10.324 2.903 ( 22.766 -2.280 7.046) 23.940 2.980 ( 12.414 -1.575 -1.510) 12.604 3.039 ( -0.277 19.535 3.781) 19.900 3.082 ( -1.336 22.294 0.615) 22.342 3.298 ( -0.305 49.080 -0.706) 49.086 3.317 ( -1.763 49.708 -2.243) 49.789 3.514 ( 9.436 6.208 5.191) 12.431 3.535 ( 0.487 6.459 2.974) 7.127 3.642 ( -12.852 4.876 5.100) 14.662 3.695 ( -9.198 12.273 1.374) 15.398 3.930 ( 6.230 -2.664 -1.119) 6.867 4.029 ( -2.020 -1.300 -9.427) 9.728 4.164 ( -4.675 -0.630 1.625) 4.989 4.229 ( -9.105 -1.717 -4.590) 10.340 4.860 ( -1.190 0.696 -0.046) 1.379 4.879 ( -2.466 -0.073 -1.763) 3.033 5.009 ( 0.674 -9.343 -0.303) 9.372 5.036 ( -2.110 -8.373 -2.866) 9.098 5.351 ( 3.264 -0.463 1.935) 3.822 5.384 ( 1.250 2.329 -0.572) 2.704 5.419 ( -0.785 -5.865 1.147) 6.028 5.460 ( -3.753 -4.010 -2.750) 6.142 6.148 ( 1.462 9.641 1.135) 9.817 6.178 ( -1.477 10.074 -1.466) 10.287 6.495 ( -0.476 3.449 1.435) 3.766 6.532 ( -4.126 0.612 -1.463) 4.420 6.589 ( 3.849 8.966 5.085) 11.003 6.659 ( -3.402 7.039 -1.256) 7.919 7.105 ( 2.251 8.426 -0.185) 8.724 7.147 ( -1.980 7.128 -4.106) 8.461 7.472 ( 7.573 1.516 4.096) 8.743 7.550 ( 3.677 -6.066 -3.176) 7.772 7.590 ( 5.868 -1.949 6.563) 9.018 7.656 ( 4.929 -7.411 1.208) 8.982 7.804 ( -5.164 -4.165 2.047) 6.943 7.864 ( -8.052 -0.359 -4.311) 9.141 7.972 ( 0.041 -7.465 -5.983) 9.567 7.999 ( -2.618 -5.119 -8.310) 10.106 8.378 ( 1.007 0.058 1.475) 1.787 8.408 ( -1.809 -0.993 -1.262) 2.419 9.065 ( 3.472 12.935 2.779) 13.678 9.101 ( -0.708 14.235 -0.715) 14.270 9.415 ( 3.120 -7.591 5.304) 9.772 9.439 ( 0.825 -8.735 3.509) 9.450 9.636 ( -2.216 13.257 3.177) 13.811 9.665 ( -4.122 11.054 1.026) 11.843 10.002 ( 2.550 8.221 -0.118) 8.608 10.013 ( 0.420 10.698 -1.047) 10.758 10.134 ( -1.463 -1.680 -0.371) 2.259 10.176 ( -5.048 -0.942 -3.703) 6.331 10.546 ( 1.690 4.200 1.165) 4.675 10.569 ( -0.642 4.167 -1.164) 4.374 10.973 ( 6.842 4.392 2.177) 8.417 11.022 ( 6.793 9.905 -2.023) 12.180 11.103 ( -6.524 2.092 1.566) 7.028 11.141 ( -5.968 5.408 -1.614) 8.214 11.241 ( -0.484 -6.745 1.346) 6.895 11.275 ( -4.120 -6.266 -1.526) 7.653 11.557 ( 2.880 4.397 0.717) 5.305 11.607 ( -2.657 4.131 -4.006) 6.338 11.971 ( 4.787 -11.621 -0.056) 12.569 12.015 ( 0.004 -11.243 -4.251) 12.020 12.931 ( 6.265 -2.918 3.793) 7.884 12.982 ( 1.476 -3.246 -1.213) 3.766 13.478 ( 3.153 -14.852 5.916) 16.295 13.558 ( -4.708 -15.747 -1.712) 16.524 13.934 ( 3.692 4.158 1.037) 5.656 13.951 ( 2.446 4.005 -0.535) 4.723 14.198 ( -1.953 -3.406 0.737) 3.995 14.223 ( -4.076 -4.072 -1.585) 5.976 14.937 ( 3.323 19.362 4.070) 20.062 15.031 ( -6.558 18.851 -5.399) 20.677 16.106 ( 3.662 -9.187 11.153) 14.906 16.181 ( -4.560 -7.036 4.270) 9.409 16.904 ( 4.815 33.049 9.291) 34.666 16.984 ( -3.936 30.114 3.662) 30.590 17.216 ( 4.874 29.303 -7.919) 30.743 17.257 ( 0.748 23.947 -9.264) 25.688 17.549 ( 3.873 7.598 0.412) 8.538 17.586 ( 1.299 13.791 -2.802) 14.133 17.771 ( -4.123 9.924 -8.063) 13.435 17.795 ( -5.559 15.795 -9.417) 19.210 18.617 ( -1.751 -6.221 -0.084) 6.463 18.627 ( -2.666 -6.597 -0.852) 7.166 19.052 ( 2.612 -10.442 0.282) 10.767 19.072 ( 0.421 -10.316 -1.661) 10.457 23.977 ( -0.185 28.545 20.101) 34.913 24.006 ( -3.243 29.603 16.108) 33.857 24.524 ( 4.316 17.565 -15.881) 24.070 24.579 ( -1.734 17.365 -19.968) 26.519 25.686 ( 4.783 -18.935 11.564) 22.697 25.772 ( -4.280 -18.567 6.852) 20.249 26.034 ( 3.910 -18.503 -6.252) 19.918 26.111 ( -4.183 -18.272 -10.046) 21.267 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.000 2.014 2.641) 3.321 1.464 ( 0.000 -0.965 1.310) 1.627 1.489 ( 0.000 0.005 -2.067) 2.067 1.491 ( 0.000 -0.222 -0.994) 1.018 1.668 ( 0.000 0.401 5.815) 5.829 1.671 ( 0.000 -0.211 3.800) 3.806 1.761 ( 0.000 2.542 -2.320) 3.441 1.820 ( 0.000 -2.946 -7.007) 7.601 1.877 ( 0.000 5.520 3.858) 6.735 1.925 ( 0.000 5.534 0.706) 5.579 1.982 ( 0.000 -4.965 0.450) 4.985 2.031 ( 0.000 -5.370 -2.337) 5.857 2.150 ( 0.000 2.264 10.626) 10.865 2.185 ( 0.000 -1.408 11.751) 11.835 2.380 ( 0.000 2.729 -10.645) 10.989 2.418 ( 0.000 -1.415 -10.486) 10.581 3.154 ( 0.000 3.495 9.499) 10.122 3.253 ( 0.000 -6.577 4.131) 7.766 3.398 ( 0.000 2.212 -14.132) 14.304 3.400 ( 0.000 2.077 -9.838) 10.054 3.967 ( 0.000 4.284 6.451) 7.744 4.003 ( 0.000 -1.112 4.307) 4.448 4.136 ( 0.000 20.400 -0.714) 20.413 4.138 ( 0.000 24.028 0.626) 24.037 4.162 ( 0.000 16.969 1.463) 17.032 4.204 ( 0.000 23.692 -1.970) 23.774 4.451 ( 0.000 3.506 -3.701) 5.098 4.490 ( 0.000 -0.743 -6.803) 6.844 4.635 ( 0.000 -14.631 0.402) 14.636 4.646 ( 0.000 -12.152 -0.529) 12.164 4.974 ( 0.000 -3.052 2.831) 4.163 5.013 ( 0.000 -4.842 -1.219) 4.993 5.406 ( 0.000 2.368 3.471) 4.202 5.440 ( 0.000 -1.071 0.280) 1.107 5.470 ( 0.000 2.543 -0.330) 2.565 5.478 ( 0.000 1.621 -1.227) 2.033 6.384 ( 0.000 10.791 4.252) 11.599 6.482 ( 0.000 7.376 -4.371) 8.574 6.578 ( 0.000 -5.575 1.848) 5.874 6.608 ( 0.000 -2.414 -0.445) 2.454 6.710 ( 0.000 13.658 5.834) 14.852 6.826 ( 0.000 8.865 -4.429) 9.909 6.953 ( 0.000 -4.594 2.052) 5.032 6.964 ( 0.000 -12.954 0.388) 12.960 7.384 ( 0.000 7.390 2.370) 7.760 7.469 ( 0.000 2.672 -4.761) 5.459 7.570 ( 0.000 -4.148 3.096) 5.176 7.632 ( 0.000 -14.870 0.393) 14.875 7.654 ( 0.000 2.853 1.472) 3.211 7.773 ( 0.000 -10.671 -7.685) 13.150 7.962 ( 0.000 10.077 5.976) 11.715 8.089 ( 0.000 -1.225 -5.193) 5.335 8.441 ( 0.000 2.268 -1.526) 2.733 8.457 ( 0.000 9.773 -2.601) 10.113 8.678 ( 0.000 -13.356 7.024) 15.090 8.807 ( 0.000 -16.928 -5.567) 17.820 9.421 ( 0.000 3.359 3.281) 4.696 9.429 ( 0.000 4.122 2.884) 5.031 9.830 ( 0.000 5.301 2.141) 5.717 9.882 ( 0.000 3.304 -1.469) 3.616 10.062 ( 0.000 -3.450 3.605) 4.990 10.078 ( 0.000 -2.744 3.825) 4.707 10.526 ( 0.000 2.559 -0.531) 2.613 10.547 ( 0.000 5.543 -1.238) 5.680 10.675 ( 0.000 12.081 -0.110) 12.082 10.709 ( 0.000 17.309 -2.576) 17.499 10.935 ( 0.000 3.842 -0.167) 3.846 10.975 ( 0.000 6.182 -3.261) 6.989 11.146 ( 0.000 -3.415 2.068) 3.992 11.179 ( 0.000 -1.329 -1.200) 1.791 11.361 ( 0.000 6.356 2.957) 7.010 11.429 ( 0.000 -7.468 -1.463) 7.610 11.466 ( 0.000 -4.100 4.696) 6.234 11.505 ( 0.000 -13.233 0.467) 13.242 11.718 ( 0.000 3.416 -2.792) 4.412 11.812 ( 0.000 -4.936 -9.830) 11.000 12.661 ( 0.000 -1.054 1.138) 1.551 12.703 ( 0.000 -5.389 -2.919) 6.128 13.349 ( 0.000 -0.840 5.216) 5.283 13.423 ( 0.000 -8.325 -1.966) 8.554 13.954 ( 0.000 4.385 0.687) 4.438 13.973 ( 0.000 2.644 -0.981) 2.820 14.209 ( 0.000 -2.577 1.790) 3.137 14.214 ( 0.000 -3.440 1.220) 3.650 15.262 ( 0.000 19.832 13.690) 24.098 15.492 ( 0.000 10.381 -5.858) 11.920 15.731 ( 0.000 -10.099 11.511) 15.313 15.971 ( 0.000 -20.408 -8.213) 21.999 17.273 ( 0.000 9.670 1.331) 9.761 17.323 ( 0.000 3.014 -4.488) 5.407 17.426 ( 0.000 3.855 1.378) 4.094 17.462 ( 0.000 0.025 -1.068) 1.068 17.869 ( 0.000 36.520 4.912) 36.849 18.039 ( 0.000 32.356 -12.253) 34.598 18.265 ( 0.000 21.102 1.887) 21.186 18.316 ( 0.000 13.341 -2.870) 13.646 18.502 ( 0.000 -12.008 0.800) 12.035 18.550 ( 0.000 -14.976 -4.977) 15.782 18.700 ( 0.000 -13.804 2.241) 13.984 18.788 ( 0.000 -15.542 -6.245) 16.750 24.536 ( 0.000 29.809 20.906) 36.410 24.759 ( 0.000 38.328 11.713) 40.078 24.860 ( 0.000 26.729 -12.653) 29.572 25.036 ( 0.000 7.538 -6.444) 9.917 25.177 ( 0.000 -3.006 2.422) 3.860 25.416 ( 0.000 -25.749 -12.706) 28.714 25.488 ( 0.000 -32.349 10.953) 34.153 25.732 ( 0.000 -30.994 -13.501) 33.807 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.20 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.504 2.001 2.222) 3.032 1.468 ( 0.308 -0.661 0.923) 1.177 1.486 ( -0.217 -0.009 -1.515) 1.530 1.493 ( 0.054 -0.584 -0.984) 1.146 1.665 ( -0.212 0.798 5.545) 5.606 1.674 ( 0.323 -0.358 3.371) 3.406 1.734 ( -2.157 1.787 -0.600) 2.864 1.769 ( -4.716 -0.472 1.879) 5.098 1.824 ( -1.639 3.895 -3.537) 5.511 1.890 ( -3.484 3.637 -2.344) 5.555 1.924 ( -2.956 -4.758 -1.980) 5.941 1.970 ( -4.316 -3.897 -3.808) 6.951 2.358 ( 18.034 4.419 8.210) 20.302 2.426 ( 21.091 -2.606 9.524) 23.288 2.519 ( 12.506 4.976 -6.961) 15.153 2.598 ( 16.219 -3.398 -7.052) 18.010 3.182 ( 3.034 4.061 9.365) 10.648 3.283 ( 3.237 -6.406 5.011) 8.754 3.394 ( 0.639 5.782 -10.394) 11.911 3.457 ( 4.752 -0.728 -12.074) 12.996 3.909 ( -6.203 3.565 6.648) 9.767 3.930 ( -8.113 0.295 5.989) 10.089 4.073 ( -6.158 16.596 -0.301) 17.704 4.128 ( -4.494 14.467 -3.889) 15.640 4.165 ( 0.967 22.515 0.668) 22.545 4.190 ( -1.217 21.326 -2.296) 21.484 4.316 ( -8.813 0.869 0.124) 8.856 4.390 ( -7.750 -4.358 -6.675) 11.119 4.707 ( 5.599 -5.080 2.179) 7.868 4.757 ( 7.699 -6.141 -2.697) 10.211 4.970 ( -1.034 -2.055 2.295) 3.250 5.008 ( -1.022 -4.284 -1.689) 4.717 5.356 ( -4.305 2.441 2.911) 5.742 5.384 ( -3.768 0.019 0.419) 3.792 5.440 ( -2.772 0.548 0.489) 2.868 5.469 ( -2.517 -2.461 -2.261) 4.183 6.355 ( -2.204 10.211 3.276) 10.948 6.434 ( -4.056 7.494 -3.832) 9.343 6.535 ( -3.755 -4.963 1.530) 6.409 6.566 ( -3.970 -2.741 -1.075) 4.942 6.752 ( 4.236 14.506 5.678) 16.144 6.854 ( 2.496 11.370 -3.937) 12.289 7.015 ( 5.891 -7.337 2.112) 9.643 7.039 ( 6.290 -10.116 -0.555) 11.925 7.379 ( -0.385 5.262 2.360) 5.780 7.461 ( -1.258 0.898 -4.529) 4.785 7.565 ( -0.095 -2.961 3.810) 4.827 7.611 ( -2.142 -15.443 0.574) 15.601 7.663 ( 0.217 2.984 0.801) 3.097 7.743 ( -2.977 -7.710 -5.860) 10.131 7.892 ( -5.767 -0.918 3.799) 6.967 7.994 ( -7.932 -7.169 -4.914) 11.767 8.497 ( 6.799 12.277 0.684) 14.050 8.536 ( 6.433 17.237 -3.060) 18.651 8.814 ( 11.757 -15.725 4.445) 20.131 8.901 ( 8.395 -17.400 -3.893) 19.708 9.432 ( 1.806 5.550 4.178) 7.178 9.448 ( 2.413 5.356 2.986) 6.590 9.838 ( 0.441 4.819 2.457) 5.427 9.876 ( -0.839 3.645 -0.062) 3.741 10.055 ( -0.428 -2.327 4.047) 4.688 10.091 ( 0.810 -3.804 1.492) 4.166 10.347 ( -15.174 6.800 -0.955) 16.655 10.376 ( -14.898 4.221 -3.085) 15.789 10.689 ( 0.106 10.715 -0.292) 10.720 10.704 ( -0.674 13.471 -1.377) 13.558 10.929 ( -0.784 -6.414 1.747) 6.693 10.985 ( -1.835 -9.818 -3.281) 10.513 11.189 ( 3.160 7.416 0.962) 8.118 11.210 ( 4.498 11.755 -2.046) 12.751 11.345 ( -1.634 6.572 2.409) 7.188 11.401 ( -2.685 -1.493 -1.611) 3.469 11.486 ( 3.125 -4.812 4.738) 7.441 11.577 ( 5.620 -13.178 -2.243) 14.501 11.712 ( -0.539 1.109 -0.927) 1.543 11.811 ( -0.427 -7.708 -8.397) 11.407 12.750 ( 9.088 0.091 1.686) 9.244 12.790 ( 9.132 -3.966 -2.311) 10.221 13.326 ( -2.896 -1.972 5.535) 6.550 13.397 ( -3.334 -8.925 -1.269) 9.611 13.964 ( 1.348 3.804 0.420) 4.057 13.980 ( 1.152 2.426 -1.082) 2.896 14.189 ( -2.071 -2.024 1.798) 3.408 14.204 ( -1.648 -3.358 0.376) 3.759 15.279 ( 2.093 20.999 11.608) 24.085 15.482 ( -1.495 15.743 -7.353) 17.440 15.735 ( 0.936 -15.368 12.679) 19.945 15.941 ( -3.136 -20.855 -6.017) 21.931 17.279 ( 0.658 9.724 1.424) 9.849 17.326 ( 0.242 4.037 -3.882) 5.606 17.414 ( -1.213 2.792 0.964) 3.193 17.447 ( -1.525 -0.279 -1.429) 2.108 17.904 ( 3.729 34.444 4.707) 34.963 18.063 ( 2.469 29.478 -11.375) 31.693 18.227 ( -3.570 23.380 2.515) 23.785 18.302 ( -1.826 16.743 -4.527) 17.440 18.472 ( -2.388 -13.086 1.132) 13.350 18.520 ( -3.155 -8.899 -4.293) 10.372 18.727 ( 2.323 -17.911 0.602) 18.071 18.790 ( 0.054 -17.818 -5.345) 18.603 24.548 ( 1.427 31.536 20.648) 37.721 24.728 ( -3.082 38.026 13.816) 40.576 24.891 ( 3.090 26.849 -14.452) 30.647 25.038 ( -0.198 14.535 -10.649) 18.020 25.190 ( 1.639 -11.271 6.612) 13.170 25.396 ( -2.569 -27.038 0.509) 27.164 25.505 ( 2.276 -31.169 -1.943) 31.313 25.709 ( -2.467 -30.815 -13.637) 33.788 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.40 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.94e-05 1.94e-05 1.94e-05 1.94e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.764 1.788 1.120) 2.244 1.467 ( -0.590 1.063 0.049) 1.216 1.485 ( 0.195 -1.252 -0.210) 1.284 1.490 ( -0.285 -1.166 -0.492) 1.297 1.669 ( 0.759 1.560 4.584) 4.902 1.682 ( 0.380 0.285 2.659) 2.701 1.699 ( -1.514 0.543 2.436) 2.919 1.708 ( -1.828 0.242 1.564) 2.418 1.811 ( 0.274 3.342 -5.068) 6.077 1.835 ( -2.331 3.407 -5.011) 6.492 1.895 ( -0.314 -4.691 -2.851) 5.499 1.912 ( -2.111 -4.145 -3.963) 6.111 2.661 ( 11.999 9.343 2.294) 15.380 2.711 ( 6.212 9.419 -2.629) 11.585 2.817 ( 17.068 -6.678 3.849) 18.727 2.873 ( 10.231 -7.500 -2.015) 12.845 3.260 ( 6.135 6.722 8.826) 12.677 3.369 ( 3.735 0.976 6.378) 7.455 3.395 ( 0.412 2.485 -0.627) 2.595 3.517 ( -2.671 -3.853 -4.213) 6.303 3.773 ( -3.790 4.869 3.194) 6.948 3.792 ( -3.708 2.396 0.927) 4.511 3.904 ( -9.580 4.082 -3.843) 11.100 3.962 ( -11.485 1.127 -8.859) 14.548 4.172 ( -0.010 21.586 1.158) 21.617 4.177 ( -0.543 17.821 1.624) 17.903 4.243 ( 0.094 10.103 -1.269) 10.183 4.281 ( -3.902 3.931 -4.284) 7.002 4.809 ( 5.575 0.582 2.922) 6.321 4.869 ( 3.503 -2.757 -2.487) 5.105 4.921 ( -2.994 1.077 1.237) 3.413 4.965 ( -3.607 -2.125 -2.732) 4.999 5.316 ( 0.426 -0.276 1.354) 1.446 5.337 ( -1.323 -1.503 -0.255) 2.019 5.391 ( -1.949 -3.296 0.383) 3.849 5.404 ( -3.487 -4.742 -1.081) 5.985 6.336 ( 0.460 9.743 0.997) 9.805 6.369 ( -2.896 9.209 -2.044) 9.867 6.481 ( -1.340 -4.602 0.751) 4.852 6.497 ( -2.868 -3.277 -0.868) 4.440 6.841 ( 4.761 15.740 3.622) 16.839 6.888 ( 0.181 15.158 -0.814) 15.181 7.110 ( 3.537 -7.139 0.440) 7.980 7.127 ( 2.109 -7.754 -1.248) 8.132 7.389 ( 2.001 -1.425 1.118) 2.700 7.430 ( -1.868 -3.421 -2.359) 4.556 7.561 ( -0.886 -8.837 1.761) 9.054 7.565 ( -2.193 -15.669 0.963) 15.851 7.654 ( -0.157 6.307 0.651) 6.342 7.683 ( -3.044 0.393 -2.200) 3.776 7.832 ( -0.083 -9.848 0.179) 9.850 7.875 ( -4.594 -10.633 -3.304) 12.045 8.620 ( 4.918 19.836 -0.021) 20.436 8.636 ( 3.171 21.261 -1.480) 21.547 9.000 ( 6.816 -17.885 1.559) 19.203 9.027 ( 3.698 -18.411 -0.815) 18.796 9.510 ( 6.688 13.110 4.850) 15.496 9.531 ( 5.897 13.107 2.972) 14.676 9.803 ( -4.922 1.921 5.048) 7.308 9.822 ( -5.949 2.205 3.421) 7.207 10.048 ( 0.079 -1.387 0.683) 1.548 10.098 ( -0.680 -0.953 0.169) 1.183 10.109 ( -7.169 -1.032 -4.112) 8.329 10.148 ( -7.116 0.271 -3.513) 7.941 10.683 ( -0.177 10.798 -0.255) 10.803 10.690 ( -0.792 10.386 -0.742) 10.443 10.912 ( -0.392 -12.054 0.911) 12.095 10.933 ( -2.636 -13.227 -1.007) 13.525 11.245 ( 3.299 11.086 1.601) 11.677 11.291 ( 3.301 11.619 -2.483) 12.331 11.304 ( -2.613 8.102 1.420) 8.630 11.348 ( -2.910 4.626 -2.009) 5.822 11.567 ( 4.967 -1.224 1.482) 5.326 11.632 ( -1.157 -0.127 -4.562) 4.708 11.728 ( 3.252 -12.553 0.500) 12.977 11.787 ( -2.445 -11.973 -4.944) 13.182 12.947 ( 10.902 4.290 2.855) 12.058 12.984 ( 9.413 2.243 -0.854) 9.714 13.240 ( -5.276 -8.452 4.802) 11.061 13.289 ( -8.048 -11.689 -0.006) 14.192 14.012 ( 3.644 3.677 0.330) 5.187 14.024 ( 3.115 3.037 -0.833) 4.430 14.135 ( -3.311 -2.712 0.768) 4.349 14.149 ( -3.986 -3.587 -0.570) 5.393 15.340 ( 4.530 23.084 5.477) 24.153 15.427 ( -4.425 22.618 -3.156) 23.262 15.781 ( 4.026 -21.707 8.383) 23.615 15.866 ( -4.897 -21.964 0.107) 22.504 17.299 ( 1.531 9.556 1.099) 9.740 17.324 ( -0.794 7.855 -1.205) 7.986 17.396 ( -0.143 -0.503 -0.898) 1.039 17.414 ( -1.814 -1.089 -2.011) 2.919 17.994 ( 5.798 28.635 3.931) 29.480 18.087 ( -2.619 20.650 -1.736) 20.887 18.183 ( 1.416 32.622 -4.490) 32.960 18.249 ( -3.937 23.836 -7.053) 25.167 18.442 ( -0.531 -10.820 -0.020) 10.833 18.461 ( -2.599 -7.716 -2.309) 8.463 18.765 ( 1.696 -21.101 -1.594) 21.229 18.786 ( -0.613 -20.896 -3.523) 21.199 24.590 ( 3.248 34.834 19.538) 40.071 24.660 ( -4.163 37.197 17.120) 41.159 24.957 ( 3.800 26.593 -16.683) 31.622 25.016 ( -2.358 24.159 -16.252) 29.212 25.243 ( 4.108 -23.405 11.862) 26.559 25.326 ( -4.706 -27.431 10.586) 29.777 25.568 ( 4.330 -30.295 -11.412) 32.662 25.648 ( -4.187 -30.444 -13.516) 33.571 =================== 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 3/34020 10.0 172.467 151.568 114.564 0.000 0.000 0.000 3/34020 20.0 27.137 43.226 25.643 0.000 0.000 0.000 3/34020 30.0 14.669 30.629 13.360 0.000 0.000 0.000 3/34020 40.0 10.767 24.137 8.917 0.000 0.000 0.000 3/34020 50.0 8.713 19.856 6.681 0.000 0.000 0.000 3/34020 60.0 7.365 16.842 5.346 0.000 0.000 0.000 3/34020 70.0 6.381 14.611 4.461 0.000 0.000 0.000 3/34020 80.0 5.623 12.895 3.832 0.000 0.000 0.000 3/34020 90.0 5.018 11.536 3.363 0.000 0.000 0.000 3/34020 100.0 4.524 10.434 3.001 0.000 0.000 0.000 3/34020 110.0 4.114 9.524 2.713 0.000 0.000 0.000 3/34020 120.0 3.769 8.762 2.479 0.000 0.000 0.000 3/34020 130.0 3.476 8.114 2.286 0.000 0.000 0.000 3/34020 140.0 3.224 7.557 2.123 0.000 0.000 0.000 3/34020 150.0 3.005 7.074 1.985 0.000 0.000 0.000 3/34020 160.0 2.814 6.651 1.866 0.000 0.000 0.000 3/34020 170.0 2.646 6.278 1.763 0.000 0.000 0.000 3/34020 180.0 2.497 5.947 1.673 0.000 0.000 0.000 3/34020 190.0 2.364 5.650 1.593 0.000 0.000 0.000 3/34020 200.0 2.244 5.384 1.522 0.000 0.000 0.000 3/34020 210.0 2.137 5.142 1.457 0.000 0.000 0.000 3/34020 220.0 2.039 4.923 1.400 0.000 0.000 0.000 3/34020 230.0 1.950 4.722 1.347 0.000 0.000 0.000 3/34020 240.0 1.869 4.538 1.299 0.000 0.000 0.000 3/34020 250.0 1.794 4.368 1.254 0.000 0.000 0.000 3/34020 260.0 1.725 4.212 1.213 0.000 0.000 0.000 3/34020 270.0 1.662 4.066 1.175 0.000 0.000 0.000 3/34020 280.0 1.603 3.931 1.140 0.000 0.000 0.000 3/34020 290.0 1.548 3.805 1.107 0.000 0.000 0.000 3/34020 300.0 1.497 3.687 1.076 0.000 0.000 0.000 3/34020 310.0 1.449 3.576 1.047 0.000 0.000 0.000 3/34020 320.0 1.404 3.472 1.019 0.000 0.000 0.000 3/34020 330.0 1.362 3.374 0.993 0.000 0.000 0.000 3/34020 340.0 1.323 3.281 0.968 0.000 0.000 0.000 3/34020 350.0 1.285 3.194 0.945 0.000 0.000 0.000 3/34020 360.0 1.250 3.111 0.923 0.000 0.000 0.000 3/34020 370.0 1.217 3.032 0.901 0.000 0.000 0.000 3/34020 380.0 1.185 2.958 0.881 0.000 0.000 0.000 3/34020 390.0 1.155 2.887 0.862 0.000 0.000 0.000 3/34020 400.0 1.127 2.819 0.843 0.000 0.000 0.000 3/34020 410.0 1.100 2.755 0.826 0.000 0.000 0.000 3/34020 420.0 1.074 2.693 0.809 0.000 0.000 0.000 3/34020 430.0 1.050 2.634 0.792 0.000 0.000 0.000 3/34020 440.0 1.026 2.578 0.777 0.000 0.000 0.000 3/34020 450.0 1.004 2.524 0.762 0.000 0.000 0.000 3/34020 460.0 0.982 2.472 0.747 0.000 0.000 0.000 3/34020 470.0 0.962 2.422 0.733 0.000 0.000 0.000 3/34020 480.0 0.942 2.374 0.720 0.000 0.000 0.000 3/34020 490.0 0.923 2.328 0.707 0.000 0.000 0.000 3/34020 500.0 0.905 2.284 0.694 0.000 0.000 0.000 3/34020 510.0 0.887 2.242 0.682 0.000 0.000 0.000 3/34020 520.0 0.870 2.201 0.670 0.000 0.000 0.000 3/34020 530.0 0.854 2.161 0.659 0.000 0.000 0.000 3/34020 540.0 0.839 2.123 0.648 0.000 0.000 0.000 3/34020 550.0 0.824 2.086 0.638 0.000 0.000 0.000 3/34020 560.0 0.809 2.050 0.627 0.000 0.000 0.000 3/34020 570.0 0.795 2.016 0.617 0.000 0.000 0.000 3/34020 580.0 0.782 1.983 0.608 0.000 0.000 0.000 3/34020 590.0 0.769 1.951 0.598 0.000 0.000 0.000 3/34020 600.0 0.756 1.919 0.589 0.000 0.000 0.000 3/34020 610.0 0.744 1.889 0.580 0.000 0.000 0.000 3/34020 620.0 0.732 1.860 0.572 0.000 0.000 0.000 3/34020 630.0 0.720 1.831 0.564 0.000 0.000 0.000 3/34020 640.0 0.709 1.804 0.555 0.000 0.000 0.000 3/34020 650.0 0.698 1.777 0.548 0.000 0.000 0.000 3/34020 660.0 0.688 1.751 0.540 0.000 0.000 0.000 3/34020 670.0 0.678 1.726 0.532 0.000 0.000 0.000 3/34020 680.0 0.668 1.701 0.525 0.000 0.000 0.000 3/34020 690.0 0.658 1.678 0.518 0.000 0.000 0.000 3/34020 700.0 0.649 1.654 0.511 0.000 0.000 0.000 3/34020 710.0 0.640 1.632 0.505 0.000 0.000 0.000 3/34020 720.0 0.631 1.610 0.498 0.000 0.000 0.000 3/34020 730.0 0.623 1.589 0.492 0.000 0.000 0.000 3/34020 740.0 0.614 1.568 0.485 0.000 0.000 0.000 3/34020 750.0 0.606 1.547 0.479 0.000 0.000 0.000 3/34020 760.0 0.598 1.528 0.473 0.000 0.000 0.000 3/34020 770.0 0.591 1.508 0.468 0.000 0.000 0.000 3/34020 780.0 0.583 1.490 0.462 0.000 0.000 0.000 3/34020 790.0 0.576 1.471 0.457 0.000 0.000 0.000 3/34020 800.0 0.569 1.453 0.451 0.000 0.000 0.000 3/34020 810.0 0.562 1.436 0.446 0.000 0.000 0.000 3/34020 820.0 0.555 1.419 0.441 0.000 0.000 0.000 3/34020 830.0 0.548 1.402 0.436 0.000 0.000 0.000 3/34020 840.0 0.542 1.386 0.431 0.000 0.000 0.000 3/34020 850.0 0.536 1.370 0.426 0.000 0.000 0.000 3/34020 860.0 0.529 1.354 0.421 0.000 0.000 0.000 3/34020 870.0 0.523 1.339 0.417 0.000 0.000 0.000 3/34020 880.0 0.517 1.324 0.412 0.000 0.000 0.000 3/34020 890.0 0.512 1.310 0.408 0.000 0.000 0.000 3/34020 900.0 0.506 1.295 0.403 0.000 0.000 0.000 3/34020 910.0 0.501 1.282 0.399 0.000 0.000 0.000 3/34020 920.0 0.495 1.268 0.395 0.000 0.000 0.000 3/34020 930.0 0.490 1.255 0.391 0.000 0.000 0.000 3/34020 940.0 0.485 1.241 0.387 0.000 0.000 0.000 3/34020 950.0 0.480 1.229 0.383 0.000 0.000 0.000 3/34020 960.0 0.475 1.216 0.379 0.000 0.000 0.000 3/34020 970.0 0.470 1.204 0.376 0.000 0.000 0.000 3/34020 980.0 0.465 1.192 0.372 0.000 0.000 0.000 3/34020 990.0 0.460 1.180 0.368 0.000 0.000 0.000 3/34020 1000.0 0.456 1.168 0.365 0.000 0.000 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m579.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:46:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|