----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.891547780900536 -2.117132525000000 0.000000000000000 b 7.891547780900536 2.117132525000000 0.000000000000000 c -3.468072848023779 0.000000000000000 8.210277424071052 Atomic positions (fractional): *1 Cs 0.86362059893583 0.86362059893583 0.95647994045650 132.905 2 Cs 0.13637940106416 0.13637940106416 0.04352005954350 132.905 *3 Ag 0.94160747160264 0.94160747160264 0.59857772533397 107.868 4 Ag 0.05839252839736 0.05839252839736 0.40142227466603 107.868 *5 Ag 0.59268172935905 0.59268172935905 0.64349007813245 107.868 6 Ag 0.40731827064095 0.40731827064095 0.35650992186755 107.868 *7 Ag 0.31106941590340 0.31106941590340 0.58042763676903 107.868 8 Ag 0.68893058409660 0.68893058409660 0.41957236323097 107.868 *9 S 0.19135041810292 0.19135041810292 0.68911730882760 32.065 10 S 0.80864958189708 0.80864958189708 0.31088269117240 32.065 *11 S 0.47813560066458 0.47813560066458 0.77232580744663 32.065 12 S 0.52186439933542 0.52186439933542 0.22767419255337 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.783095561801073 0.000000000000000 0.000000000000000 b 0.000000000000000 4.234265049999999 0.000000000000000 c -3.468072848023779 0.000000000000000 8.210277424071052 Atomic positions (fractional): *1 Cs 0.36362059893583 0.50000000000000 0.95647994045650 132.905 > 1 2 Cs 0.13637940106416 0.00000000000000 0.04352005954350 132.905 > 2 3 Cs 0.86362059893583 0.00000000000000 0.95647994045650 132.905 > 1 4 Cs 0.63637940106417 0.50000000000000 0.04352005954350 132.905 > 2 *5 Ag 0.44160747160264 0.50000000000000 0.59857772533397 107.868 > 3 6 Ag 0.05839252839736 0.00000000000000 0.40142227466603 107.868 > 4 *7 Ag 0.09268172935905 0.50000000000000 0.64349007813245 107.868 > 5 8 Ag 0.40731827064095 0.00000000000000 0.35650992186755 107.868 > 6 *9 Ag 0.31106941590340 0.00000000000000 0.58042763676903 107.868 > 7 10 Ag 0.18893058409660 0.50000000000000 0.41957236323097 107.868 > 8 11 Ag 0.94160747160264 0.00000000000000 0.59857772533397 107.868 > 3 12 Ag 0.55839252839736 0.50000000000000 0.40142227466603 107.868 > 4 13 Ag 0.59268172935905 0.00000000000000 0.64349007813245 107.868 > 5 14 Ag 0.90731827064095 0.50000000000000 0.35650992186755 107.868 > 6 15 Ag 0.81106941590340 0.50000000000000 0.58042763676903 107.868 > 7 16 Ag 0.68893058409660 0.00000000000000 0.41957236323097 107.868 > 8 *17 S 0.19135041810292 0.00000000000000 0.68911730882760 32.065 > 9 18 S 0.30864958189708 0.50000000000000 0.31088269117240 32.065 > 10 *19 S 0.47813560066458 0.00000000000000 0.77232580744663 32.065 > 11 20 S 0.02186439933542 0.50000000000000 0.22767419255337 32.065 > 12 21 S 0.69135041810292 0.50000000000000 0.68911730882760 32.065 > 9 22 S 0.80864958189708 0.00000000000000 0.31088269117240 32.065 > 10 23 S 0.97813560066458 0.50000000000000 0.77232580744663 32.065 > 11 24 S 0.52186439933542 0.00000000000000 0.22767419255337 32.065 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.783095561801073 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702795149999998 0.000000000000000 c -6.936145696047558 0.000000000000000 16.420554848142103 Atomic positions (fractional): *1 Cs 0.36362059893583 0.16666666666667 0.47823997022825 132.905 > 1 2 Cs 0.36362059893583 0.50000000000000 0.47823997022825 132.905 > 1 3 Cs 0.36362059893583 0.83333333333333 0.47823997022825 132.905 > 1 4 Cs 0.36362059893583 0.16666666666667 0.97823997022825 132.905 > 1 5 Cs 0.36362059893583 0.50000000000000 0.97823997022825 132.905 > 1 6 Cs 0.36362059893583 0.83333333333333 0.97823997022825 132.905 > 1 7 Cs 0.13637940106416 0.00000000000000 0.02176002977175 132.905 > 2 8 Cs 0.13637940106416 0.33333333333333 0.02176002977175 132.905 > 2 9 Cs 0.13637940106416 0.66666666666667 0.02176002977175 132.905 > 2 10 Cs 0.13637940106416 0.00000000000000 0.52176002977175 132.905 > 2 11 Cs 0.13637940106416 0.33333333333333 0.52176002977175 132.905 > 2 12 Cs 0.13637940106416 0.66666666666667 0.52176002977175 132.905 > 2 13 Cs 0.86362059893583 0.00000000000000 0.47823997022825 132.905 > 1 14 Cs 0.86362059893583 0.33333333333333 0.47823997022825 132.905 > 1 15 Cs 0.86362059893583 0.66666666666667 0.47823997022825 132.905 > 1 16 Cs 0.86362059893583 0.00000000000000 0.97823997022825 132.905 > 1 17 Cs 0.86362059893583 0.33333333333333 0.97823997022825 132.905 > 1 18 Cs 0.86362059893583 0.66666666666667 0.97823997022825 132.905 > 1 19 Cs 0.63637940106417 0.16666666666667 0.02176002977175 132.905 > 2 20 Cs 0.63637940106417 0.50000000000000 0.02176002977175 132.905 > 2 21 Cs 0.63637940106417 0.83333333333333 0.02176002977175 132.905 > 2 22 Cs 0.63637940106417 0.16666666666667 0.52176002977175 132.905 > 2 23 Cs 0.63637940106417 0.50000000000000 0.52176002977175 132.905 > 2 24 Cs 0.63637940106417 0.83333333333333 0.52176002977175 132.905 > 2 *25 Ag 0.44160747160264 0.16666666666667 0.29928886266698 107.868 > 3 26 Ag 0.44160747160264 0.50000000000000 0.29928886266698 107.868 > 3 27 Ag 0.44160747160264 0.83333333333333 0.29928886266698 107.868 > 3 28 Ag 0.44160747160264 0.16666666666667 0.79928886266698 107.868 > 3 29 Ag 0.44160747160264 0.50000000000000 0.79928886266698 107.868 > 3 30 Ag 0.44160747160264 0.83333333333333 0.79928886266698 107.868 > 3 31 Ag 0.05839252839736 0.00000000000000 0.20071113733302 107.868 > 4 32 Ag 0.05839252839736 0.33333333333333 0.20071113733302 107.868 > 4 33 Ag 0.05839252839736 0.66666666666667 0.20071113733302 107.868 > 4 34 Ag 0.05839252839736 0.00000000000000 0.70071113733302 107.868 > 4 35 Ag 0.05839252839736 0.33333333333333 0.70071113733302 107.868 > 4 36 Ag 0.05839252839736 0.66666666666667 0.70071113733302 107.868 > 4 *37 Ag 0.09268172935905 0.16666666666667 0.32174503906623 107.868 > 5 38 Ag 0.09268172935905 0.50000000000000 0.32174503906623 107.868 > 5 39 Ag 0.09268172935905 0.83333333333333 0.32174503906623 107.868 > 5 40 Ag 0.09268172935905 0.16666666666667 0.82174503906623 107.868 > 5 41 Ag 0.09268172935905 0.50000000000000 0.82174503906623 107.868 > 5 42 Ag 0.09268172935905 0.83333333333333 0.82174503906623 107.868 > 5 43 Ag 0.40731827064095 0.00000000000000 0.17825496093377 107.868 > 6 44 Ag 0.40731827064095 0.33333333333333 0.17825496093377 107.868 > 6 45 Ag 0.40731827064095 0.66666666666667 0.17825496093377 107.868 > 6 46 Ag 0.40731827064095 0.00000000000000 0.67825496093377 107.868 > 6 47 Ag 0.40731827064095 0.33333333333333 0.67825496093377 107.868 > 6 48 Ag 0.40731827064095 0.66666666666667 0.67825496093377 107.868 > 6 *49 Ag 0.31106941590340 0.00000000000000 0.29021381838451 107.868 > 7 50 Ag 0.31106941590340 0.33333333333333 0.29021381838451 107.868 > 7 51 Ag 0.31106941590340 0.66666666666667 0.29021381838451 107.868 > 7 52 Ag 0.31106941590340 0.00000000000000 0.79021381838451 107.868 > 7 53 Ag 0.31106941590340 0.33333333333333 0.79021381838451 107.868 > 7 54 Ag 0.31106941590340 0.66666666666667 0.79021381838451 107.868 > 7 55 Ag 0.18893058409660 0.16666666666667 0.20978618161549 107.868 > 8 56 Ag 0.18893058409660 0.50000000000000 0.20978618161549 107.868 > 8 57 Ag 0.18893058409660 0.83333333333333 0.20978618161549 107.868 > 8 58 Ag 0.18893058409660 0.16666666666667 0.70978618161549 107.868 > 8 59 Ag 0.18893058409660 0.50000000000000 0.70978618161549 107.868 > 8 60 Ag 0.18893058409660 0.83333333333333 0.70978618161549 107.868 > 8 61 Ag 0.94160747160264 0.00000000000000 0.29928886266698 107.868 > 3 62 Ag 0.94160747160264 0.33333333333333 0.29928886266698 107.868 > 3 63 Ag 0.94160747160264 0.66666666666667 0.29928886266698 107.868 > 3 64 Ag 0.94160747160264 0.00000000000000 0.79928886266698 107.868 > 3 65 Ag 0.94160747160264 0.33333333333333 0.79928886266698 107.868 > 3 66 Ag 0.94160747160264 0.66666666666667 0.79928886266698 107.868 > 3 67 Ag 0.55839252839736 0.16666666666667 0.20071113733302 107.868 > 4 68 Ag 0.55839252839736 0.50000000000000 0.20071113733302 107.868 > 4 69 Ag 0.55839252839736 0.83333333333333 0.20071113733302 107.868 > 4 70 Ag 0.55839252839736 0.16666666666667 0.70071113733302 107.868 > 4 71 Ag 0.55839252839736 0.50000000000000 0.70071113733302 107.868 > 4 72 Ag 0.55839252839736 0.83333333333333 0.70071113733302 107.868 > 4 73 Ag 0.59268172935905 0.00000000000000 0.32174503906623 107.868 > 5 74 Ag 0.59268172935905 0.33333333333333 0.32174503906623 107.868 > 5 75 Ag 0.59268172935905 0.66666666666667 0.32174503906623 107.868 > 5 76 Ag 0.59268172935905 0.00000000000000 0.82174503906623 107.868 > 5 77 Ag 0.59268172935905 0.33333333333333 0.82174503906623 107.868 > 5 78 Ag 0.59268172935905 0.66666666666667 0.82174503906623 107.868 > 5 79 Ag 0.90731827064095 0.16666666666667 0.17825496093377 107.868 > 6 80 Ag 0.90731827064095 0.50000000000000 0.17825496093377 107.868 > 6 81 Ag 0.90731827064095 0.83333333333333 0.17825496093377 107.868 > 6 82 Ag 0.90731827064095 0.16666666666667 0.67825496093377 107.868 > 6 83 Ag 0.90731827064095 0.50000000000000 0.67825496093377 107.868 > 6 84 Ag 0.90731827064095 0.83333333333333 0.67825496093377 107.868 > 6 85 Ag 0.81106941590340 0.16666666666667 0.29021381838451 107.868 > 7 86 Ag 0.81106941590340 0.50000000000000 0.29021381838451 107.868 > 7 87 Ag 0.81106941590340 0.83333333333333 0.29021381838451 107.868 > 7 88 Ag 0.81106941590340 0.16666666666667 0.79021381838451 107.868 > 7 89 Ag 0.81106941590340 0.50000000000000 0.79021381838451 107.868 > 7 90 Ag 0.81106941590340 0.83333333333333 0.79021381838451 107.868 > 7 91 Ag 0.68893058409660 0.00000000000000 0.20978618161549 107.868 > 8 92 Ag 0.68893058409660 0.33333333333333 0.20978618161549 107.868 > 8 93 Ag 0.68893058409660 0.66666666666667 0.20978618161549 107.868 > 8 94 Ag 0.68893058409660 0.00000000000000 0.70978618161549 107.868 > 8 95 Ag 0.68893058409660 0.33333333333333 0.70978618161549 107.868 > 8 96 Ag 0.68893058409660 0.66666666666667 0.70978618161549 107.868 > 8 *97 S 0.19135041810292 0.00000000000000 0.34455865441380 32.065 > 9 98 S 0.19135041810292 0.33333333333333 0.34455865441380 32.065 > 9 99 S 0.19135041810292 0.66666666666667 0.34455865441380 32.065 > 9 100 S 0.19135041810292 0.00000000000000 0.84455865441380 32.065 > 9 101 S 0.19135041810292 0.33333333333333 0.84455865441380 32.065 > 9 102 S 0.19135041810292 0.66666666666667 0.84455865441380 32.065 > 9 103 S 0.30864958189708 0.16666666666667 0.15544134558620 32.065 > 10 104 S 0.30864958189708 0.50000000000000 0.15544134558620 32.065 > 10 105 S 0.30864958189708 0.83333333333333 0.15544134558620 32.065 > 10 106 S 0.30864958189708 0.16666666666667 0.65544134558620 32.065 > 10 107 S 0.30864958189708 0.50000000000000 0.65544134558620 32.065 > 10 108 S 0.30864958189708 0.83333333333333 0.65544134558620 32.065 > 10 *109 S 0.47813560066458 0.00000000000000 0.38616290372332 32.065 > 11 110 S 0.47813560066458 0.33333333333333 0.38616290372332 32.065 > 11 111 S 0.47813560066458 0.66666666666667 0.38616290372332 32.065 > 11 112 S 0.47813560066458 0.00000000000000 0.88616290372331 32.065 > 11 113 S 0.47813560066458 0.33333333333333 0.88616290372331 32.065 > 11 114 S 0.47813560066458 0.66666666666667 0.88616290372331 32.065 > 11 115 S 0.02186439933542 0.16666666666667 0.11383709627668 32.065 > 12 116 S 0.02186439933542 0.50000000000000 0.11383709627668 32.065 > 12 117 S 0.02186439933542 0.83333333333333 0.11383709627668 32.065 > 12 118 S 0.02186439933542 0.16666666666667 0.61383709627669 32.065 > 12 119 S 0.02186439933542 0.50000000000000 0.61383709627669 32.065 > 12 120 S 0.02186439933542 0.83333333333333 0.61383709627669 32.065 > 12 121 S 0.69135041810292 0.16666666666667 0.34455865441380 32.065 > 9 122 S 0.69135041810292 0.50000000000000 0.34455865441380 32.065 > 9 123 S 0.69135041810292 0.83333333333333 0.34455865441380 32.065 > 9 124 S 0.69135041810292 0.16666666666667 0.84455865441380 32.065 > 9 125 S 0.69135041810292 0.50000000000000 0.84455865441380 32.065 > 9 126 S 0.69135041810292 0.83333333333333 0.84455865441380 32.065 > 9 127 S 0.80864958189708 0.00000000000000 0.15544134558620 32.065 > 10 128 S 0.80864958189708 0.33333333333333 0.15544134558620 32.065 > 10 129 S 0.80864958189708 0.66666666666667 0.15544134558620 32.065 > 10 130 S 0.80864958189708 0.00000000000000 0.65544134558620 32.065 > 10 131 S 0.80864958189708 0.33333333333333 0.65544134558620 32.065 > 10 132 S 0.80864958189708 0.66666666666667 0.65544134558620 32.065 > 10 133 S 0.97813560066458 0.16666666666667 0.38616290372332 32.065 > 11 134 S 0.97813560066458 0.50000000000000 0.38616290372332 32.065 > 11 135 S 0.97813560066458 0.83333333333333 0.38616290372332 32.065 > 11 136 S 0.97813560066458 0.16666666666667 0.88616290372331 32.065 > 11 137 S 0.97813560066458 0.50000000000000 0.88616290372331 32.065 > 11 138 S 0.97813560066458 0.83333333333333 0.88616290372331 32.065 > 11 139 S 0.52186439933542 0.00000000000000 0.11383709627668 32.065 > 12 140 S 0.52186439933542 0.33333333333333 0.11383709627668 32.065 > 12 141 S 0.52186439933542 0.66666666666667 0.11383709627668 32.065 > 12 142 S 0.52186439933542 0.00000000000000 0.61383709627669 32.065 > 12 143 S 0.52186439933542 0.33333333333333 0.61383709627669 32.065 > 12 144 S 0.52186439933542 0.66666666666667 0.61383709627669 32.065 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7489455 0.0000000 -0.0507814 0.0000000 15.6446270 0.0000000 -0.0508116 0.0000000 6.7864717 -------------------------- Born effective charges -------------------------- 1 Cs 1.1966238 0.0000000 -0.0329510 0.0000000 1.2270531 0.0000000 0.0707563 0.0000000 2.3448607 2 Cs 1.1966238 0.0000000 -0.0329510 0.0000000 1.2270531 0.0000000 0.0707563 0.0000000 2.3448607 3 Ag 0.5628320 0.0000000 0.5289510 0.0000000 2.0976994 0.0000000 0.2621154 0.0000000 0.7301969 4 Ag 0.5628320 0.0000000 0.5289510 0.0000000 2.0976994 0.0000000 0.2621154 0.0000000 0.7301969 5 Ag 1.2304572 0.0000000 -0.3031727 0.0000000 2.0591414 0.0000000 -0.3657332 0.0000000 0.0169019 6 Ag 1.2304572 0.0000000 -0.3031727 0.0000000 2.0591414 0.0000000 -0.3657332 0.0000000 0.0169019 7 Ag 1.4426474 0.0000000 -0.2071515 0.0000000 0.8578909 0.0000000 0.0190489 0.0000000 0.6954075 8 Ag 1.4426474 0.0000000 -0.2071515 0.0000000 0.8578909 0.0000000 0.0190489 0.0000000 0.6954075 9 S -2.1792918 0.0000000 -0.0551812 0.0000000 -3.5869324 0.0000000 -0.0957236 0.0000000 -1.7840590 10 S -2.1792918 0.0000000 -0.0551812 0.0000000 -3.5869324 0.0000000 -0.0957236 0.0000000 -1.7840590 11 S -2.2532686 0.0000000 0.0695055 0.0000000 -2.6548524 0.0000000 0.1095363 0.0000000 -2.0033080 12 S -2.2532686 0.0000000 0.0695055 0.0000000 -2.6548524 0.0000000 0.1095363 0.0000000 -2.0033080 ---------------------------------------------------------------------------- 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: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.876 Solver_block: 200 / 400 - Time: 0.802 Solver_block: 300 / 400 - Time: 0.790 Solver_block: 400 / 400 - Time: 0.801 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.391 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:29:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:29:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.891547780900536 -2.117132525000000 0.000000000000000 b 7.891547780900536 2.117132525000000 0.000000000000000 c -3.468072848023779 0.000000000000000 8.210277424071052 Atomic positions (fractional): 1 Cs 0.86362059893583 0.86362059893583 0.95647994045650 132.905 2 Cs 0.13637940106416 0.13637940106416 0.04352005954350 132.905 3 Ag 0.94160747160264 0.94160747160264 0.59857772533397 107.868 4 Ag 0.05839252839736 0.05839252839736 0.40142227466603 107.868 5 Ag 0.59268172935905 0.59268172935905 0.64349007813245 107.868 6 Ag 0.40731827064095 0.40731827064095 0.35650992186755 107.868 7 Ag 0.31106941590340 0.31106941590340 0.58042763676903 107.868 8 Ag 0.68893058409660 0.68893058409660 0.41957236323097 107.868 9 S 0.19135041810292 0.19135041810292 0.68911730882760 32.065 10 S 0.80864958189708 0.80864958189708 0.31088269117240 32.065 11 S 0.47813560066458 0.47813560066458 0.77232580744663 32.065 12 S 0.52186439933542 0.52186439933542 0.22767419255337 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.783095561801073 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702795149999998 0.000000000000000 c -6.936145696047558 0.000000000000000 16.420554848142103 Atomic positions (fractional): 1 Cs 0.36362059893583 0.16666666666667 0.47823997022825 132.905 > 1 2 Cs 0.36362059893583 0.50000000000000 0.47823997022825 132.905 > 1 3 Cs 0.36362059893583 0.83333333333333 0.47823997022825 132.905 > 1 4 Cs 0.36362059893583 0.16666666666667 0.97823997022825 132.905 > 1 5 Cs 0.36362059893583 0.50000000000000 0.97823997022825 132.905 > 1 6 Cs 0.36362059893583 0.83333333333333 0.97823997022825 132.905 > 1 7 Cs 0.13637940106416 0.00000000000000 0.02176002977175 132.905 > 7 8 Cs 0.13637940106416 0.33333333333333 0.02176002977175 132.905 > 7 9 Cs 0.13637940106416 0.66666666666667 0.02176002977175 132.905 > 7 10 Cs 0.13637940106416 0.00000000000000 0.52176002977175 132.905 > 7 11 Cs 0.13637940106416 0.33333333333333 0.52176002977175 132.905 > 7 12 Cs 0.13637940106416 0.66666666666667 0.52176002977175 132.905 > 7 13 Cs 0.86362059893583 0.00000000000000 0.47823997022825 132.905 > 1 14 Cs 0.86362059893583 0.33333333333333 0.47823997022825 132.905 > 1 15 Cs 0.86362059893583 0.66666666666667 0.47823997022825 132.905 > 1 16 Cs 0.86362059893583 0.00000000000000 0.97823997022825 132.905 > 1 17 Cs 0.86362059893583 0.33333333333333 0.97823997022825 132.905 > 1 18 Cs 0.86362059893583 0.66666666666667 0.97823997022825 132.905 > 1 19 Cs 0.63637940106417 0.16666666666667 0.02176002977175 132.905 > 7 20 Cs 0.63637940106417 0.50000000000000 0.02176002977175 132.905 > 7 21 Cs 0.63637940106417 0.83333333333333 0.02176002977175 132.905 > 7 22 Cs 0.63637940106417 0.16666666666667 0.52176002977175 132.905 > 7 23 Cs 0.63637940106417 0.50000000000000 0.52176002977175 132.905 > 7 24 Cs 0.63637940106417 0.83333333333333 0.52176002977175 132.905 > 7 25 Ag 0.44160747160264 0.16666666666667 0.29928886266698 107.868 > 25 26 Ag 0.44160747160264 0.50000000000000 0.29928886266698 107.868 > 25 27 Ag 0.44160747160264 0.83333333333333 0.29928886266698 107.868 > 25 28 Ag 0.44160747160264 0.16666666666667 0.79928886266698 107.868 > 25 29 Ag 0.44160747160264 0.50000000000000 0.79928886266698 107.868 > 25 30 Ag 0.44160747160264 0.83333333333333 0.79928886266698 107.868 > 25 31 Ag 0.05839252839736 0.00000000000000 0.20071113733302 107.868 > 31 32 Ag 0.05839252839736 0.33333333333333 0.20071113733302 107.868 > 31 33 Ag 0.05839252839736 0.66666666666667 0.20071113733302 107.868 > 31 34 Ag 0.05839252839736 0.00000000000000 0.70071113733302 107.868 > 31 35 Ag 0.05839252839736 0.33333333333333 0.70071113733302 107.868 > 31 36 Ag 0.05839252839736 0.66666666666667 0.70071113733302 107.868 > 31 37 Ag 0.09268172935905 0.16666666666667 0.32174503906623 107.868 > 37 38 Ag 0.09268172935905 0.50000000000000 0.32174503906623 107.868 > 37 39 Ag 0.09268172935905 0.83333333333333 0.32174503906623 107.868 > 37 40 Ag 0.09268172935905 0.16666666666667 0.82174503906623 107.868 > 37 41 Ag 0.09268172935905 0.50000000000000 0.82174503906623 107.868 > 37 42 Ag 0.09268172935905 0.83333333333333 0.82174503906623 107.868 > 37 43 Ag 0.40731827064095 0.00000000000000 0.17825496093377 107.868 > 43 44 Ag 0.40731827064095 0.33333333333333 0.17825496093377 107.868 > 43 45 Ag 0.40731827064095 0.66666666666667 0.17825496093377 107.868 > 43 46 Ag 0.40731827064095 0.00000000000000 0.67825496093377 107.868 > 43 47 Ag 0.40731827064095 0.33333333333333 0.67825496093377 107.868 > 43 48 Ag 0.40731827064095 0.66666666666667 0.67825496093377 107.868 > 43 49 Ag 0.31106941590340 0.00000000000000 0.29021381838451 107.868 > 49 50 Ag 0.31106941590340 0.33333333333333 0.29021381838451 107.868 > 49 51 Ag 0.31106941590340 0.66666666666667 0.29021381838451 107.868 > 49 52 Ag 0.31106941590340 0.00000000000000 0.79021381838451 107.868 > 49 53 Ag 0.31106941590340 0.33333333333333 0.79021381838451 107.868 > 49 54 Ag 0.31106941590340 0.66666666666667 0.79021381838451 107.868 > 49 55 Ag 0.18893058409660 0.16666666666667 0.20978618161549 107.868 > 55 56 Ag 0.18893058409660 0.50000000000000 0.20978618161549 107.868 > 55 57 Ag 0.18893058409660 0.83333333333333 0.20978618161549 107.868 > 55 58 Ag 0.18893058409660 0.16666666666667 0.70978618161549 107.868 > 55 59 Ag 0.18893058409660 0.50000000000000 0.70978618161549 107.868 > 55 60 Ag 0.18893058409660 0.83333333333333 0.70978618161549 107.868 > 55 61 Ag 0.94160747160264 0.00000000000000 0.29928886266698 107.868 > 25 62 Ag 0.94160747160264 0.33333333333333 0.29928886266698 107.868 > 25 63 Ag 0.94160747160264 0.66666666666667 0.29928886266698 107.868 > 25 64 Ag 0.94160747160264 0.00000000000000 0.79928886266698 107.868 > 25 65 Ag 0.94160747160264 0.33333333333333 0.79928886266698 107.868 > 25 66 Ag 0.94160747160264 0.66666666666667 0.79928886266698 107.868 > 25 67 Ag 0.55839252839736 0.16666666666667 0.20071113733302 107.868 > 31 68 Ag 0.55839252839736 0.50000000000000 0.20071113733302 107.868 > 31 69 Ag 0.55839252839736 0.83333333333333 0.20071113733302 107.868 > 31 70 Ag 0.55839252839736 0.16666666666667 0.70071113733302 107.868 > 31 71 Ag 0.55839252839736 0.50000000000000 0.70071113733302 107.868 > 31 72 Ag 0.55839252839736 0.83333333333333 0.70071113733302 107.868 > 31 73 Ag 0.59268172935905 0.00000000000000 0.32174503906623 107.868 > 37 74 Ag 0.59268172935905 0.33333333333333 0.32174503906623 107.868 > 37 75 Ag 0.59268172935905 0.66666666666667 0.32174503906623 107.868 > 37 76 Ag 0.59268172935905 0.00000000000000 0.82174503906623 107.868 > 37 77 Ag 0.59268172935905 0.33333333333333 0.82174503906623 107.868 > 37 78 Ag 0.59268172935905 0.66666666666667 0.82174503906623 107.868 > 37 79 Ag 0.90731827064095 0.16666666666667 0.17825496093377 107.868 > 43 80 Ag 0.90731827064095 0.50000000000000 0.17825496093377 107.868 > 43 81 Ag 0.90731827064095 0.83333333333333 0.17825496093377 107.868 > 43 82 Ag 0.90731827064095 0.16666666666667 0.67825496093377 107.868 > 43 83 Ag 0.90731827064095 0.50000000000000 0.67825496093377 107.868 > 43 84 Ag 0.90731827064095 0.83333333333333 0.67825496093377 107.868 > 43 85 Ag 0.81106941590340 0.16666666666667 0.29021381838451 107.868 > 49 86 Ag 0.81106941590340 0.50000000000000 0.29021381838451 107.868 > 49 87 Ag 0.81106941590340 0.83333333333333 0.29021381838451 107.868 > 49 88 Ag 0.81106941590340 0.16666666666667 0.79021381838451 107.868 > 49 89 Ag 0.81106941590340 0.50000000000000 0.79021381838451 107.868 > 49 90 Ag 0.81106941590340 0.83333333333333 0.79021381838451 107.868 > 49 91 Ag 0.68893058409660 0.00000000000000 0.20978618161549 107.868 > 55 92 Ag 0.68893058409660 0.33333333333333 0.20978618161549 107.868 > 55 93 Ag 0.68893058409660 0.66666666666667 0.20978618161549 107.868 > 55 94 Ag 0.68893058409660 0.00000000000000 0.70978618161549 107.868 > 55 95 Ag 0.68893058409660 0.33333333333333 0.70978618161549 107.868 > 55 96 Ag 0.68893058409660 0.66666666666667 0.70978618161549 107.868 > 55 97 S 0.19135041810292 0.00000000000000 0.34455865441380 32.065 > 97 98 S 0.19135041810292 0.33333333333333 0.34455865441380 32.065 > 97 99 S 0.19135041810292 0.66666666666667 0.34455865441380 32.065 > 97 100 S 0.19135041810292 0.00000000000000 0.84455865441380 32.065 > 97 101 S 0.19135041810292 0.33333333333333 0.84455865441380 32.065 > 97 102 S 0.19135041810292 0.66666666666667 0.84455865441380 32.065 > 97 103 S 0.30864958189708 0.16666666666667 0.15544134558620 32.065 > 103 104 S 0.30864958189708 0.50000000000000 0.15544134558620 32.065 > 103 105 S 0.30864958189708 0.83333333333333 0.15544134558620 32.065 > 103 106 S 0.30864958189708 0.16666666666667 0.65544134558620 32.065 > 103 107 S 0.30864958189708 0.50000000000000 0.65544134558620 32.065 > 103 108 S 0.30864958189708 0.83333333333333 0.65544134558620 32.065 > 103 109 S 0.47813560066458 0.00000000000000 0.38616290372332 32.065 > 109 110 S 0.47813560066458 0.33333333333333 0.38616290372332 32.065 > 109 111 S 0.47813560066458 0.66666666666667 0.38616290372332 32.065 > 109 112 S 0.47813560066458 0.00000000000000 0.88616290372331 32.065 > 109 113 S 0.47813560066458 0.33333333333333 0.88616290372331 32.065 > 109 114 S 0.47813560066458 0.66666666666667 0.88616290372331 32.065 > 109 115 S 0.02186439933542 0.16666666666667 0.11383709627668 32.065 > 115 116 S 0.02186439933542 0.50000000000000 0.11383709627668 32.065 > 115 117 S 0.02186439933542 0.83333333333333 0.11383709627668 32.065 > 115 118 S 0.02186439933542 0.16666666666667 0.61383709627669 32.065 > 115 119 S 0.02186439933542 0.50000000000000 0.61383709627669 32.065 > 115 120 S 0.02186439933542 0.83333333333333 0.61383709627669 32.065 > 115 121 S 0.69135041810292 0.16666666666667 0.34455865441380 32.065 > 97 122 S 0.69135041810292 0.50000000000000 0.34455865441380 32.065 > 97 123 S 0.69135041810292 0.83333333333333 0.34455865441380 32.065 > 97 124 S 0.69135041810292 0.16666666666667 0.84455865441380 32.065 > 97 125 S 0.69135041810292 0.50000000000000 0.84455865441380 32.065 > 97 126 S 0.69135041810292 0.83333333333333 0.84455865441380 32.065 > 97 127 S 0.80864958189708 0.00000000000000 0.15544134558620 32.065 > 103 128 S 0.80864958189708 0.33333333333333 0.15544134558620 32.065 > 103 129 S 0.80864958189708 0.66666666666667 0.15544134558620 32.065 > 103 130 S 0.80864958189708 0.00000000000000 0.65544134558620 32.065 > 103 131 S 0.80864958189708 0.33333333333333 0.65544134558620 32.065 > 103 132 S 0.80864958189708 0.66666666666667 0.65544134558620 32.065 > 103 133 S 0.97813560066458 0.16666666666667 0.38616290372332 32.065 > 109 134 S 0.97813560066458 0.50000000000000 0.38616290372332 32.065 > 109 135 S 0.97813560066458 0.83333333333333 0.38616290372332 32.065 > 109 136 S 0.97813560066458 0.16666666666667 0.88616290372331 32.065 > 109 137 S 0.97813560066458 0.50000000000000 0.88616290372331 32.065 > 109 138 S 0.97813560066458 0.83333333333333 0.88616290372331 32.065 > 109 139 S 0.52186439933542 0.00000000000000 0.11383709627668 32.065 > 115 140 S 0.52186439933542 0.33333333333333 0.11383709627668 32.065 > 115 141 S 0.52186439933542 0.66666666666667 0.11383709627668 32.065 > 115 142 S 0.52186439933542 0.00000000000000 0.61383709627669 32.065 > 115 143 S 0.52186439933542 0.33333333333333 0.61383709627669 32.065 > 115 144 S 0.52186439933542 0.66666666666667 0.61383709627669 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.7489455 0.0000000 -0.0507814 0.0000000 15.6446270 0.0000000 -0.0508116 0.0000000 6.7864717 -------------------------- Born effective charges -------------------------- 1 Cs 1.1966238 0.0000000 -0.0329510 0.0000000 1.2270531 0.0000000 0.0707563 0.0000000 2.3448607 2 Cs 1.1966238 0.0000000 -0.0329510 0.0000000 1.2270531 0.0000000 0.0707563 0.0000000 2.3448607 3 Ag 0.5628320 0.0000000 0.5289510 0.0000000 2.0976994 0.0000000 0.2621154 0.0000000 0.7301969 4 Ag 0.5628320 0.0000000 0.5289510 0.0000000 2.0976994 0.0000000 0.2621154 0.0000000 0.7301969 5 Ag 1.2304572 0.0000000 -0.3031727 0.0000000 2.0591414 0.0000000 -0.3657332 0.0000000 0.0169019 6 Ag 1.2304572 0.0000000 -0.3031727 0.0000000 2.0591414 0.0000000 -0.3657332 0.0000000 0.0169019 7 Ag 1.4426474 0.0000000 -0.2071515 0.0000000 0.8578909 0.0000000 0.0190489 0.0000000 0.6954075 8 Ag 1.4426474 0.0000000 -0.2071515 0.0000000 0.8578909 0.0000000 0.0190489 0.0000000 0.6954075 9 S -2.1792918 0.0000000 -0.0551812 0.0000000 -3.5869324 0.0000000 -0.0957236 0.0000000 -1.7840590 10 S -2.1792918 0.0000000 -0.0551812 0.0000000 -3.5869324 0.0000000 -0.0957236 0.0000000 -1.7840590 11 S -2.2532686 0.0000000 0.0695055 0.0000000 -2.6548524 0.0000000 0.1095363 0.0000000 -2.0033080 12 S -2.2532686 0.0000000 0.0695055 0.0000000 -2.6548524 0.0000000 0.1095363 0.0000000 -2.0033080 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 25, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 37, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 109, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:29:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:29:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.891547780900536 -2.117132525000000 0.000000000000000 b 7.891547780900536 2.117132525000000 0.000000000000000 c -3.468072848023779 0.000000000000000 8.210277424071052 Atomic positions (fractional): 1 Cs 0.86362059893583 0.86362059893583 0.95647994045650 132.905 2 Cs 0.13637940106416 0.13637940106416 0.04352005954350 132.905 3 Ag 0.94160747160264 0.94160747160264 0.59857772533397 107.868 4 Ag 0.05839252839736 0.05839252839736 0.40142227466603 107.868 5 Ag 0.59268172935905 0.59268172935905 0.64349007813245 107.868 6 Ag 0.40731827064095 0.40731827064095 0.35650992186755 107.868 7 Ag 0.31106941590340 0.31106941590340 0.58042763676903 107.868 8 Ag 0.68893058409660 0.68893058409660 0.41957236323097 107.868 9 S 0.19135041810292 0.19135041810292 0.68911730882760 32.065 10 S 0.80864958189708 0.80864958189708 0.31088269117240 32.065 11 S 0.47813560066458 0.47813560066458 0.77232580744663 32.065 12 S 0.52186439933542 0.52186439933542 0.22767419255337 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.783095561801073 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702795149999998 0.000000000000000 c -6.936145696047558 0.000000000000000 16.420554848142103 Atomic positions (fractional): 1 Cs 0.36362059893583 0.16666666666667 0.47823997022825 132.905 > 1 2 Cs 0.36362059893583 0.50000000000000 0.47823997022825 132.905 > 1 3 Cs 0.36362059893583 0.83333333333333 0.47823997022825 132.905 > 1 4 Cs 0.36362059893583 0.16666666666667 0.97823997022825 132.905 > 1 5 Cs 0.36362059893583 0.50000000000000 0.97823997022825 132.905 > 1 6 Cs 0.36362059893583 0.83333333333333 0.97823997022825 132.905 > 1 7 Cs 0.13637940106416 0.00000000000000 0.02176002977175 132.905 > 7 8 Cs 0.13637940106416 0.33333333333333 0.02176002977175 132.905 > 7 9 Cs 0.13637940106416 0.66666666666667 0.02176002977175 132.905 > 7 10 Cs 0.13637940106416 0.00000000000000 0.52176002977175 132.905 > 7 11 Cs 0.13637940106416 0.33333333333333 0.52176002977175 132.905 > 7 12 Cs 0.13637940106416 0.66666666666667 0.52176002977175 132.905 > 7 13 Cs 0.86362059893583 0.00000000000000 0.47823997022825 132.905 > 1 14 Cs 0.86362059893583 0.33333333333333 0.47823997022825 132.905 > 1 15 Cs 0.86362059893583 0.66666666666667 0.47823997022825 132.905 > 1 16 Cs 0.86362059893583 0.00000000000000 0.97823997022825 132.905 > 1 17 Cs 0.86362059893583 0.33333333333333 0.97823997022825 132.905 > 1 18 Cs 0.86362059893583 0.66666666666667 0.97823997022825 132.905 > 1 19 Cs 0.63637940106417 0.16666666666667 0.02176002977175 132.905 > 7 20 Cs 0.63637940106417 0.50000000000000 0.02176002977175 132.905 > 7 21 Cs 0.63637940106417 0.83333333333333 0.02176002977175 132.905 > 7 22 Cs 0.63637940106417 0.16666666666667 0.52176002977175 132.905 > 7 23 Cs 0.63637940106417 0.50000000000000 0.52176002977175 132.905 > 7 24 Cs 0.63637940106417 0.83333333333333 0.52176002977175 132.905 > 7 25 Ag 0.44160747160264 0.16666666666667 0.29928886266698 107.868 > 25 26 Ag 0.44160747160264 0.50000000000000 0.29928886266698 107.868 > 25 27 Ag 0.44160747160264 0.83333333333333 0.29928886266698 107.868 > 25 28 Ag 0.44160747160264 0.16666666666667 0.79928886266698 107.868 > 25 29 Ag 0.44160747160264 0.50000000000000 0.79928886266698 107.868 > 25 30 Ag 0.44160747160264 0.83333333333333 0.79928886266698 107.868 > 25 31 Ag 0.05839252839736 0.00000000000000 0.20071113733302 107.868 > 31 32 Ag 0.05839252839736 0.33333333333333 0.20071113733302 107.868 > 31 33 Ag 0.05839252839736 0.66666666666667 0.20071113733302 107.868 > 31 34 Ag 0.05839252839736 0.00000000000000 0.70071113733302 107.868 > 31 35 Ag 0.05839252839736 0.33333333333333 0.70071113733302 107.868 > 31 36 Ag 0.05839252839736 0.66666666666667 0.70071113733302 107.868 > 31 37 Ag 0.09268172935905 0.16666666666667 0.32174503906623 107.868 > 37 38 Ag 0.09268172935905 0.50000000000000 0.32174503906623 107.868 > 37 39 Ag 0.09268172935905 0.83333333333333 0.32174503906623 107.868 > 37 40 Ag 0.09268172935905 0.16666666666667 0.82174503906623 107.868 > 37 41 Ag 0.09268172935905 0.50000000000000 0.82174503906623 107.868 > 37 42 Ag 0.09268172935905 0.83333333333333 0.82174503906623 107.868 > 37 43 Ag 0.40731827064095 0.00000000000000 0.17825496093377 107.868 > 43 44 Ag 0.40731827064095 0.33333333333333 0.17825496093377 107.868 > 43 45 Ag 0.40731827064095 0.66666666666667 0.17825496093377 107.868 > 43 46 Ag 0.40731827064095 0.00000000000000 0.67825496093377 107.868 > 43 47 Ag 0.40731827064095 0.33333333333333 0.67825496093377 107.868 > 43 48 Ag 0.40731827064095 0.66666666666667 0.67825496093377 107.868 > 43 49 Ag 0.31106941590340 0.00000000000000 0.29021381838451 107.868 > 49 50 Ag 0.31106941590340 0.33333333333333 0.29021381838451 107.868 > 49 51 Ag 0.31106941590340 0.66666666666667 0.29021381838451 107.868 > 49 52 Ag 0.31106941590340 0.00000000000000 0.79021381838451 107.868 > 49 53 Ag 0.31106941590340 0.33333333333333 0.79021381838451 107.868 > 49 54 Ag 0.31106941590340 0.66666666666667 0.79021381838451 107.868 > 49 55 Ag 0.18893058409660 0.16666666666667 0.20978618161549 107.868 > 55 56 Ag 0.18893058409660 0.50000000000000 0.20978618161549 107.868 > 55 57 Ag 0.18893058409660 0.83333333333333 0.20978618161549 107.868 > 55 58 Ag 0.18893058409660 0.16666666666667 0.70978618161549 107.868 > 55 59 Ag 0.18893058409660 0.50000000000000 0.70978618161549 107.868 > 55 60 Ag 0.18893058409660 0.83333333333333 0.70978618161549 107.868 > 55 61 Ag 0.94160747160264 0.00000000000000 0.29928886266698 107.868 > 25 62 Ag 0.94160747160264 0.33333333333333 0.29928886266698 107.868 > 25 63 Ag 0.94160747160264 0.66666666666667 0.29928886266698 107.868 > 25 64 Ag 0.94160747160264 0.00000000000000 0.79928886266698 107.868 > 25 65 Ag 0.94160747160264 0.33333333333333 0.79928886266698 107.868 > 25 66 Ag 0.94160747160264 0.66666666666667 0.79928886266698 107.868 > 25 67 Ag 0.55839252839736 0.16666666666667 0.20071113733302 107.868 > 31 68 Ag 0.55839252839736 0.50000000000000 0.20071113733302 107.868 > 31 69 Ag 0.55839252839736 0.83333333333333 0.20071113733302 107.868 > 31 70 Ag 0.55839252839736 0.16666666666667 0.70071113733302 107.868 > 31 71 Ag 0.55839252839736 0.50000000000000 0.70071113733302 107.868 > 31 72 Ag 0.55839252839736 0.83333333333333 0.70071113733302 107.868 > 31 73 Ag 0.59268172935905 0.00000000000000 0.32174503906623 107.868 > 37 74 Ag 0.59268172935905 0.33333333333333 0.32174503906623 107.868 > 37 75 Ag 0.59268172935905 0.66666666666667 0.32174503906623 107.868 > 37 76 Ag 0.59268172935905 0.00000000000000 0.82174503906623 107.868 > 37 77 Ag 0.59268172935905 0.33333333333333 0.82174503906623 107.868 > 37 78 Ag 0.59268172935905 0.66666666666667 0.82174503906623 107.868 > 37 79 Ag 0.90731827064095 0.16666666666667 0.17825496093377 107.868 > 43 80 Ag 0.90731827064095 0.50000000000000 0.17825496093377 107.868 > 43 81 Ag 0.90731827064095 0.83333333333333 0.17825496093377 107.868 > 43 82 Ag 0.90731827064095 0.16666666666667 0.67825496093377 107.868 > 43 83 Ag 0.90731827064095 0.50000000000000 0.67825496093377 107.868 > 43 84 Ag 0.90731827064095 0.83333333333333 0.67825496093377 107.868 > 43 85 Ag 0.81106941590340 0.16666666666667 0.29021381838451 107.868 > 49 86 Ag 0.81106941590340 0.50000000000000 0.29021381838451 107.868 > 49 87 Ag 0.81106941590340 0.83333333333333 0.29021381838451 107.868 > 49 88 Ag 0.81106941590340 0.16666666666667 0.79021381838451 107.868 > 49 89 Ag 0.81106941590340 0.50000000000000 0.79021381838451 107.868 > 49 90 Ag 0.81106941590340 0.83333333333333 0.79021381838451 107.868 > 49 91 Ag 0.68893058409660 0.00000000000000 0.20978618161549 107.868 > 55 92 Ag 0.68893058409660 0.33333333333333 0.20978618161549 107.868 > 55 93 Ag 0.68893058409660 0.66666666666667 0.20978618161549 107.868 > 55 94 Ag 0.68893058409660 0.00000000000000 0.70978618161549 107.868 > 55 95 Ag 0.68893058409660 0.33333333333333 0.70978618161549 107.868 > 55 96 Ag 0.68893058409660 0.66666666666667 0.70978618161549 107.868 > 55 97 S 0.19135041810292 0.00000000000000 0.34455865441380 32.065 > 97 98 S 0.19135041810292 0.33333333333333 0.34455865441380 32.065 > 97 99 S 0.19135041810292 0.66666666666667 0.34455865441380 32.065 > 97 100 S 0.19135041810292 0.00000000000000 0.84455865441380 32.065 > 97 101 S 0.19135041810292 0.33333333333333 0.84455865441380 32.065 > 97 102 S 0.19135041810292 0.66666666666667 0.84455865441380 32.065 > 97 103 S 0.30864958189708 0.16666666666667 0.15544134558620 32.065 > 103 104 S 0.30864958189708 0.50000000000000 0.15544134558620 32.065 > 103 105 S 0.30864958189708 0.83333333333333 0.15544134558620 32.065 > 103 106 S 0.30864958189708 0.16666666666667 0.65544134558620 32.065 > 103 107 S 0.30864958189708 0.50000000000000 0.65544134558620 32.065 > 103 108 S 0.30864958189708 0.83333333333333 0.65544134558620 32.065 > 103 109 S 0.47813560066458 0.00000000000000 0.38616290372332 32.065 > 109 110 S 0.47813560066458 0.33333333333333 0.38616290372332 32.065 > 109 111 S 0.47813560066458 0.66666666666667 0.38616290372332 32.065 > 109 112 S 0.47813560066458 0.00000000000000 0.88616290372331 32.065 > 109 113 S 0.47813560066458 0.33333333333333 0.88616290372331 32.065 > 109 114 S 0.47813560066458 0.66666666666667 0.88616290372331 32.065 > 109 115 S 0.02186439933542 0.16666666666667 0.11383709627668 32.065 > 115 116 S 0.02186439933542 0.50000000000000 0.11383709627668 32.065 > 115 117 S 0.02186439933542 0.83333333333333 0.11383709627668 32.065 > 115 118 S 0.02186439933542 0.16666666666667 0.61383709627669 32.065 > 115 119 S 0.02186439933542 0.50000000000000 0.61383709627669 32.065 > 115 120 S 0.02186439933542 0.83333333333333 0.61383709627669 32.065 > 115 121 S 0.69135041810292 0.16666666666667 0.34455865441380 32.065 > 97 122 S 0.69135041810292 0.50000000000000 0.34455865441380 32.065 > 97 123 S 0.69135041810292 0.83333333333333 0.34455865441380 32.065 > 97 124 S 0.69135041810292 0.16666666666667 0.84455865441380 32.065 > 97 125 S 0.69135041810292 0.50000000000000 0.84455865441380 32.065 > 97 126 S 0.69135041810292 0.83333333333333 0.84455865441380 32.065 > 97 127 S 0.80864958189708 0.00000000000000 0.15544134558620 32.065 > 103 128 S 0.80864958189708 0.33333333333333 0.15544134558620 32.065 > 103 129 S 0.80864958189708 0.66666666666667 0.15544134558620 32.065 > 103 130 S 0.80864958189708 0.00000000000000 0.65544134558620 32.065 > 103 131 S 0.80864958189708 0.33333333333333 0.65544134558620 32.065 > 103 132 S 0.80864958189708 0.66666666666667 0.65544134558620 32.065 > 103 133 S 0.97813560066458 0.16666666666667 0.38616290372332 32.065 > 109 134 S 0.97813560066458 0.50000000000000 0.38616290372332 32.065 > 109 135 S 0.97813560066458 0.83333333333333 0.38616290372332 32.065 > 109 136 S 0.97813560066458 0.16666666666667 0.88616290372331 32.065 > 109 137 S 0.97813560066458 0.50000000000000 0.88616290372331 32.065 > 109 138 S 0.97813560066458 0.83333333333333 0.88616290372331 32.065 > 109 139 S 0.52186439933542 0.00000000000000 0.11383709627668 32.065 > 115 140 S 0.52186439933542 0.33333333333333 0.11383709627668 32.065 > 115 141 S 0.52186439933542 0.66666666666667 0.11383709627668 32.065 > 115 142 S 0.52186439933542 0.00000000000000 0.61383709627669 32.065 > 115 143 S 0.52186439933542 0.33333333333333 0.61383709627669 32.065 > 115 144 S 0.52186439933542 0.66666666666667 0.61383709627669 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.7489455 0.0000000 -0.0507814 0.0000000 15.6446270 0.0000000 -0.0508116 0.0000000 6.7864717 -------------------------- Born effective charges -------------------------- 1 Cs 1.1966238 0.0000000 -0.0329510 0.0000000 1.2270531 0.0000000 0.0707563 0.0000000 2.3448607 2 Cs 1.1966238 0.0000000 -0.0329510 0.0000000 1.2270531 0.0000000 0.0707563 0.0000000 2.3448607 3 Ag 0.5628320 0.0000000 0.5289510 0.0000000 2.0976994 0.0000000 0.2621154 0.0000000 0.7301969 4 Ag 0.5628320 0.0000000 0.5289510 0.0000000 2.0976994 0.0000000 0.2621154 0.0000000 0.7301969 5 Ag 1.2304572 0.0000000 -0.3031727 0.0000000 2.0591414 0.0000000 -0.3657332 0.0000000 0.0169019 6 Ag 1.2304572 0.0000000 -0.3031727 0.0000000 2.0591414 0.0000000 -0.3657332 0.0000000 0.0169019 7 Ag 1.4426474 0.0000000 -0.2071515 0.0000000 0.8578909 0.0000000 0.0190489 0.0000000 0.6954075 8 Ag 1.4426474 0.0000000 -0.2071515 0.0000000 0.8578909 0.0000000 0.0190489 0.0000000 0.6954075 9 S -2.1792918 0.0000000 -0.0551812 0.0000000 -3.5869324 0.0000000 -0.0957236 0.0000000 -1.7840590 10 S -2.1792918 0.0000000 -0.0551812 0.0000000 -3.5869324 0.0000000 -0.0957236 0.0000000 -1.7840590 11 S -2.2532686 0.0000000 0.0695055 0.0000000 -2.6548524 0.0000000 0.1095363 0.0000000 -2.0033080 12 S -2.2532686 0.0000000 0.0695055 0.0000000 -2.6548524 0.0000000 0.1095363 0.0000000 -2.0033080 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 6 ] 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: 0.64, Number of G-points: 297, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/242) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 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 1.176 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/242) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( 9.918 -10.860 -0.193) 14.708 0.338 ( 2.334 -16.835 -1.531) 17.065 0.689 ( 8.318 -29.935 5.948) 31.633 1.266 ( -1.315 -0.545 0.036) 1.424 1.310 ( -2.663 -7.405 1.124) 7.950 1.348 ( 0.507 2.599 -1.383) 2.988 1.375 ( 0.642 0.540 0.363) 0.914 1.548 ( -0.707 -0.181 0.982) 1.223 1.583 ( -0.105 -3.026 -0.898) 3.158 1.610 ( 1.128 -0.988 -0.987) 1.795 1.697 ( 0.088 -5.385 -0.905) 5.461 1.862 ( 2.185 5.983 0.315) 6.377 1.987 ( 0.307 -2.445 -0.451) 2.505 2.019 ( 0.126 1.364 -0.320) 1.407 2.124 ( 1.605 -4.974 1.002) 5.321 2.242 ( -0.672 5.229 -0.532) 5.299 2.416 ( 0.750 -1.421 1.006) 1.895 2.523 ( -1.333 -1.052 0.469) 1.762 2.618 ( 0.813 2.325 0.236) 2.474 2.654 ( -0.782 -11.026 -0.683) 11.075 2.912 ( -0.153 4.337 0.154) 4.342 2.993 ( -0.423 1.891 0.156) 1.944 3.112 ( -0.148 -3.611 0.283) 3.625 3.204 ( 0.624 1.737 -0.341) 1.877 5.252 ( -0.890 -0.140 -2.300) 2.471 5.487 ( -6.814 -16.073 -5.755) 18.382 5.789 ( -22.932 -14.538 3.424) 27.367 5.815 ( -0.967 0.026 -0.207) 0.989 5.960 ( -1.781 -12.525 7.748) 14.835 6.368 ( -0.425 -7.064 0.466) 7.092 6.646 ( 19.145 1.939 -5.818) 20.103 6.899 ( 1.107 -1.187 1.129) 1.977 7.225 ( 2.447 0.682 1.664) 3.037 7.358 ( 2.846 1.089 -0.329) 3.064 8.141 ( -0.261 1.267 0.094) 1.297 8.378 ( -0.408 1.338 -0.061) 1.400 ======================= Grid point 2 (3/242) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 9.196 -11.455 -0.391) 14.695 0.671 ( -0.084 -16.394 -2.923) 16.652 1.138 ( 0.270 2.862 0.678) 2.954 1.220 ( -2.332 -5.438 -0.131) 5.918 1.300 ( 2.631 -3.632 0.669) 4.535 1.446 ( 3.567 -10.612 2.380) 11.446 1.542 ( -1.838 -9.121 1.098) 9.369 1.589 ( -0.440 -4.507 2.877) 5.365 1.617 ( 3.476 -0.829 -2.303) 4.251 1.693 ( -1.697 -6.460 -1.429) 6.830 1.753 ( 3.017 3.242 -3.111) 5.412 1.798 ( 0.789 -1.750 1.193) 2.260 1.974 ( 0.670 2.873 0.716) 3.036 1.998 ( -0.313 0.577 -1.426) 1.570 2.146 ( 0.276 2.870 1.309) 3.166 2.208 ( 0.966 -1.062 1.096) 1.806 2.471 ( 1.375 0.294 0.169) 1.417 2.537 ( -2.442 -2.249 0.626) 3.378 2.599 ( 3.208 -0.875 -0.089) 3.326 2.799 ( -4.348 -1.997 -1.305) 4.959 2.889 ( 2.050 -2.562 1.345) 3.547 2.947 ( -1.125 0.658 -0.449) 1.378 3.155 ( -0.406 -0.142 -0.139) 0.453 3.181 ( 1.720 0.087 -0.154) 1.729 5.285 ( -0.572 -3.745 0.419) 3.812 5.792 ( -6.486 -11.416 -2.007) 13.283 5.855 ( -1.105 -11.462 -0.472) 11.525 6.030 ( -9.020 -17.133 -1.275) 19.404 6.249 ( -2.111 -15.393 3.989) 16.041 6.534 ( 0.481 -9.081 -0.003) 9.094 6.720 ( 10.363 -2.425 -2.733) 10.988 6.965 ( 2.654 -4.429 1.667) 5.425 7.239 ( -0.705 -1.759 0.465) 1.952 7.360 ( 4.783 0.553 -0.089) 4.816 8.106 ( -1.028 1.816 0.202) 2.097 8.338 ( -0.755 2.345 -0.122) 2.466 ======================= Grid point 3 (4/242) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 4.341 -8.452 -0.899) 9.544 0.918 ( -3.398 -7.137 -4.610) 9.151 1.042 ( 0.938 -2.170 -0.409) 2.400 1.259 ( -1.892 -1.418 -0.451) 2.407 1.373 ( 2.071 -2.463 -0.928) 3.350 1.585 ( 4.266 5.520 -0.613) 7.003 1.610 ( -3.257 -3.977 2.815) 5.861 1.673 ( 2.022 -3.447 -2.330) 4.626 1.744 ( -1.224 -3.990 0.144) 4.176 1.784 ( 0.145 -1.584 0.259) 1.612 1.827 ( 4.128 -5.033 1.901) 6.781 1.836 ( 0.352 -7.524 -1.312) 7.645 1.945 ( 0.703 0.078 -0.026) 0.708 2.024 ( 1.961 -4.795 0.136) 5.182 2.103 ( -0.385 0.535 2.650) 2.730 2.224 ( 0.627 0.546 1.507) 1.721 2.404 ( 2.067 5.123 0.065) 5.524 2.573 ( -0.055 -0.235 0.180) 0.301 2.649 ( 2.486 -1.138 -0.415) 2.765 2.783 ( -2.917 0.757 0.611) 3.075 2.889 ( -1.586 -1.280 -0.597) 2.124 3.015 ( -0.177 -3.710 -0.065) 3.714 3.144 ( 0.132 0.370 -0.528) 0.658 3.199 ( 1.869 -0.347 -0.166) 1.908 5.383 ( -0.810 -6.070 0.299) 6.131 5.852 ( -2.527 -2.737 -1.592) 4.051 6.187 ( -4.732 -16.416 -0.416) 17.090 6.316 ( -6.438 -15.759 -1.927) 17.132 6.545 ( -0.159 -14.788 1.170) 14.835 6.722 ( 0.956 -9.750 -0.755) 9.826 6.839 ( 5.941 -5.753 -0.830) 8.312 7.101 ( 3.040 -6.886 1.217) 7.625 7.297 ( 0.288 -4.044 0.061) 4.055 7.389 ( 4.415 -1.104 0.512) 4.579 8.065 ( -1.725 1.501 0.195) 2.295 8.280 ( -0.990 3.014 -0.150) 3.176 ======================= Grid point 4 (5/242) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -5.969 0.973 -2.117) 6.407 1.066 ( 5.744 -7.889 -0.952) 9.805 1.173 ( -4.619 -6.700 -3.209) 8.748 1.256 ( 2.115 1.736 0.399) 2.765 1.438 ( 1.744 -2.946 -1.456) 3.721 1.514 ( 5.173 2.738 -0.233) 5.858 1.672 ( -2.437 -3.103 1.670) 4.285 1.729 ( 0.559 -1.679 -2.235) 2.850 1.757 ( 0.589 1.169 -1.003) 1.649 1.803 ( -1.804 -2.563 0.781) 3.230 1.863 ( -1.332 -0.956 -0.136) 1.645 1.925 ( -0.070 -1.745 -0.848) 1.941 1.966 ( -1.352 -0.586 1.416) 2.044 2.132 ( 2.601 -1.226 1.995) 3.499 2.160 ( 1.988 -0.551 1.035) 2.307 2.239 ( 1.420 -2.437 -0.114) 2.823 2.351 ( 3.095 -0.882 0.787) 3.313 2.542 ( 2.474 3.655 0.570) 4.450 2.650 ( 0.924 1.218 -0.085) 1.531 2.751 ( -4.252 0.357 0.555) 4.303 2.948 ( -0.209 -4.145 -0.178) 4.154 3.068 ( -0.620 -2.327 -0.160) 2.414 3.139 ( -0.031 0.137 -0.559) 0.576 3.208 ( 2.007 0.516 -0.421) 2.115 5.506 ( -0.715 -6.718 -0.159) 6.758 5.872 ( -1.999 -0.510 -1.380) 2.482 6.376 ( -5.849 -6.641 -1.068) 8.914 6.576 ( -3.373 -13.056 -2.150) 13.655 6.818 ( 4.201 -10.860 -0.232) 11.646 6.923 ( 0.190 -10.328 -0.403) 10.338 6.998 ( 1.653 -8.020 0.505) 8.204 7.244 ( 1.385 -5.570 0.422) 5.755 7.377 ( 2.729 -2.637 -0.241) 3.802 7.460 ( 2.031 -4.203 0.808) 4.737 8.036 ( -1.905 0.367 0.065) 1.941 8.210 ( -1.062 3.443 -0.091) 3.604 ======================= Grid point 5 (6/242) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -4.630 -1.810 -0.740) 5.026 1.143 ( -0.254 3.689 -1.768) 4.099 1.221 ( 2.711 -4.122 -0.425) 4.952 1.298 ( 0.585 -3.492 -0.119) 3.543 1.459 ( -0.448 0.109 -0.733) 0.866 1.549 ( 5.213 -1.822 -0.645) 5.559 1.687 ( 0.604 0.602 0.540) 1.009 1.726 ( -1.694 1.384 -1.144) 2.469 1.782 ( -0.944 -3.552 0.444) 3.702 1.840 ( -0.786 -1.637 0.682) 1.940 1.871 ( -1.718 -0.713 -0.424) 1.908 1.949 ( -0.548 -1.112 -0.174) 1.252 1.970 ( -1.538 -0.669 0.627) 1.790 2.100 ( 0.437 4.452 -1.347) 4.672 2.174 ( -0.994 -2.306 0.465) 2.553 2.269 ( 6.823 0.899 0.582) 6.906 2.423 ( -1.764 -2.230 -0.175) 2.849 2.479 ( 3.651 3.788 0.959) 5.348 2.652 ( 0.261 -1.446 0.292) 1.498 2.724 ( -2.532 0.693 0.877) 2.768 3.020 ( -0.007 -2.851 -0.079) 2.852 3.108 ( -1.069 -2.230 0.030) 2.473 3.137 ( 0.431 0.022 -0.338) 0.548 3.196 ( 1.457 1.513 -0.509) 2.161 5.634 ( 0.015 -6.406 -0.283) 6.412 5.839 ( -1.632 2.658 -0.683) 3.193 6.431 ( -3.780 -2.538 -1.307) 4.737 6.756 ( -1.031 -6.515 -1.033) 6.677 6.994 ( 4.266 -4.822 -0.645) 6.470 7.105 ( -0.663 -7.309 0.150) 7.341 7.157 ( 0.599 -7.142 0.542) 7.187 7.316 ( -0.772 -1.194 -0.026) 1.422 7.428 ( 2.453 -1.299 0.002) 2.776 7.552 ( 0.711 -3.514 0.265) 3.595 8.036 ( -1.224 -1.292 -0.129) 1.784 8.136 ( -0.777 3.438 0.072) 3.525 ======================= Grid point 6 (7/242) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 -0.000 0.000) 0.000 1.271 ( 0.000 -0.000 0.000) 0.000 1.339 ( -0.000 -0.000 0.000) 0.000 1.453 ( -0.000 -0.000 -0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 -0.000 0.000) 0.000 1.700 ( -0.000 0.000 0.000) 0.000 1.809 ( 0.000 -0.000 0.000) 0.000 1.870 ( -0.000 0.000 0.000) 0.000 1.872 ( 0.000 -0.000 -0.000) 0.000 1.962 ( 0.000 -0.000 0.000) 0.000 1.985 ( 0.000 -0.000 0.000) 0.000 2.023 ( 0.000 0.000 -0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.432 ( -0.000 0.000 0.000) 0.000 2.451 ( 0.000 -0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 -0.000 0.000) 0.000 3.049 ( -0.000 -0.000 0.000) 0.000 3.128 ( -0.000 -0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 -0.000 -0.000) 0.000 5.751 ( 0.000 -0.000 0.000) 0.000 5.753 ( -0.000 0.000 0.000) 0.000 6.444 ( 0.000 -0.000 0.000) 0.000 6.816 ( 0.000 -0.000 -0.000) 0.000 7.052 ( 0.000 -0.000 0.000) 0.000 7.176 ( 0.000 -0.000 0.000) 0.000 7.271 ( 0.000 -0.000 0.000) 0.000 7.287 ( -0.000 0.000 0.000) 0.000 7.449 ( 0.000 -0.000 0.000) 0.000 7.591 ( 0.000 -0.000 0.000) 0.000 8.072 ( -0.000 -0.000 -0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/242) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 14.043 0.000 12.076) 18.521 0.206 ( 15.155 0.000 9.810) 18.053 0.393 ( 32.893 0.000 8.792) 34.048 1.182 ( 0.299 0.000 1.849) 1.873 1.281 ( -1.934 -0.000 -1.113) 2.231 1.286 ( -1.912 -0.000 -0.279) 1.932 1.387 ( 1.237 0.000 2.056) 2.399 1.537 ( -1.166 -0.000 -2.419) 2.685 1.584 ( -0.633 -0.000 4.260) 4.307 1.603 ( -0.737 -0.000 -2.691) 2.790 1.630 ( 4.265 0.000 -5.159) 6.694 1.952 ( 1.219 0.000 -0.807) 1.462 1.995 ( 2.996 0.000 2.563) 3.943 2.016 ( 0.875 0.000 -5.026) 5.101 2.063 ( 3.540 0.000 -0.598) 3.590 2.336 ( -2.338 -0.000 -2.355) 3.319 2.438 ( -4.575 -0.000 10.553) 11.502 2.478 ( -0.753 -0.000 0.292) 0.808 2.512 ( -1.246 -0.000 0.667) 1.413 2.660 ( 0.533 0.000 2.132) 2.198 2.969 ( -2.674 -0.000 -0.642) 2.750 3.028 ( 1.106 0.000 1.525) 1.883 3.043 ( -0.083 -0.000 -0.044) 0.094 3.231 ( 1.594 0.000 0.235) 1.611 4.367 ( 1.692 0.000 0.771) 1.859 5.283 ( -1.471 -0.000 0.688) 1.624 5.492 ( -17.207 -0.000 36.434) 40.293 5.802 ( -1.288 -0.000 -0.201) 1.303 5.825 ( -0.327 -0.000 1.295) 1.336 6.293 ( 2.104 0.000 -0.206) 2.114 6.870 ( 4.987 0.000 -12.465) 13.426 6.915 ( 5.759 0.000 -4.845) 7.526 7.365 ( -0.442 -0.000 1.893) 1.944 7.526 ( 4.702 0.000 -6.574) 8.082 8.163 ( -0.322 -0.000 -0.968) 1.020 8.388 ( -0.839 -0.000 -0.122) 0.848 ======================= Grid point 15 (9/242) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 7.593 -10.692 3.663) 13.616 0.436 ( 16.044 -7.973 0.077) 17.916 0.875 ( 17.957 -22.528 9.723) 30.406 1.237 ( -4.087 2.363 0.299) 4.730 1.279 ( -3.032 -3.438 0.105) 4.585 1.343 ( 0.098 -4.624 -1.543) 4.875 1.394 ( 1.502 -0.715 2.122) 2.696 1.543 ( -1.355 -0.156 1.522) 2.044 1.568 ( -1.490 -4.051 -1.691) 4.636 1.628 ( 3.440 0.111 -1.976) 3.968 1.693 ( 0.719 -5.085 -1.959) 5.496 1.901 ( 4.454 5.888 -0.208) 7.386 1.989 ( 0.714 -1.762 -1.122) 2.208 2.022 ( 0.898 1.298 -0.132) 1.584 2.160 ( 3.186 -4.449 2.238) 5.912 2.225 ( -1.572 4.793 -1.351) 5.222 2.433 ( 0.873 -1.899 1.584) 2.623 2.505 ( -2.566 -0.441 1.156) 2.849 2.618 ( -2.481 -6.142 0.262) 6.630 2.649 ( 1.933 -1.818 -1.273) 2.943 2.907 ( -1.052 2.594 0.154) 2.803 2.989 ( -0.389 2.783 0.616) 2.877 3.112 ( -0.231 -3.464 0.634) 3.529 3.215 ( 1.984 1.660 -0.622) 2.661 5.169 ( -12.268 -21.476 -12.198) 27.578 5.329 ( -11.598 -13.896 3.190) 18.379 5.629 ( -12.366 -14.947 10.383) 22.003 5.798 ( -1.914 -0.363 -0.340) 1.977 5.963 ( -2.433 -12.339 4.732) 13.438 6.379 ( 2.008 -6.713 -0.029) 7.007 6.802 ( 12.610 4.528 -7.216) 15.218 6.933 ( 3.515 -1.081 2.548) 4.474 7.272 ( 3.595 5.446 3.205) 7.271 7.414 ( 8.138 2.389 -1.959) 8.704 8.135 ( -1.049 1.579 0.253) 1.913 8.369 ( -1.234 1.317 -0.186) 1.814 ======================= Grid point 16 (10/242) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 7.392 -11.673 -0.626) 13.831 0.676 ( 6.276 -9.695 -1.974) 11.717 1.118 ( -2.787 6.118 -1.221) 6.833 1.212 ( -0.453 -2.283 -0.286) 2.345 1.334 ( 3.473 -3.227 0.138) 4.743 1.502 ( 0.423 -8.682 3.955) 9.550 1.541 ( 3.673 -12.694 3.392) 13.643 1.604 ( 0.613 -7.155 2.956) 7.766 1.649 ( 3.566 -0.747 -2.491) 4.414 1.663 ( -1.415 -5.737 -1.377) 6.067 1.763 ( 1.699 -1.155 -4.018) 4.513 1.823 ( 3.336 3.056 -0.053) 4.525 1.978 ( -0.183 2.344 -0.288) 2.369 2.000 ( 1.484 0.660 -0.040) 1.624 2.151 ( -0.303 2.771 1.443) 3.139 2.233 ( 2.227 -1.275 2.225) 3.397 2.475 ( -1.359 1.068 -0.018) 1.728 2.527 ( -0.112 -3.432 1.005) 3.578 2.632 ( 2.872 -1.015 0.001) 3.046 2.748 ( -3.793 -3.445 -1.426) 5.319 2.907 ( 0.118 1.743 1.138) 2.085 2.931 ( -1.371 -2.052 -0.555) 2.529 3.157 ( 0.803 -0.432 0.075) 0.915 3.199 ( 2.008 0.273 -0.481) 2.083 5.281 ( -0.765 -3.962 0.763) 4.107 5.689 ( -10.165 -19.331 -2.886) 22.030 5.820 ( -5.038 -8.375 -0.772) 9.804 5.943 ( -6.246 -17.404 0.384) 18.495 6.236 ( -2.944 -15.351 2.949) 15.906 6.546 ( 1.936 -8.787 -0.483) 9.011 6.815 ( 8.921 -0.657 -3.026) 9.443 7.011 ( 3.910 -4.285 2.420) 6.285 7.251 ( 2.413 -0.652 1.836) 3.102 7.419 ( 6.540 0.955 -1.048) 6.692 8.091 ( -2.109 2.016 0.383) 2.942 8.325 ( -1.526 2.274 -0.239) 2.749 ======================= Grid point 17 (11/242) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -2.531 0.073 -3.361) 4.208 0.893 ( 2.176 -11.433 -3.107) 12.046 1.059 ( 3.632 -2.072 -0.802) 4.258 1.237 ( -2.206 -2.193 -0.269) 3.122 1.393 ( 2.906 -2.529 -1.501) 4.135 1.582 ( -4.199 -3.833 2.550) 6.231 1.637 ( 5.388 4.878 -0.686) 7.301 1.685 ( 1.400 -2.161 -3.489) 4.336 1.731 ( -0.580 -4.366 1.872) 4.786 1.786 ( 0.810 0.883 -0.717) 1.396 1.825 ( 0.023 -3.934 -1.259) 4.130 1.888 ( 3.684 -4.433 1.885) 6.065 1.945 ( -0.519 -1.012 -0.441) 1.220 2.048 ( 1.874 -7.150 0.518) 7.410 2.129 ( 2.417 -0.233 4.323) 4.959 2.241 ( 1.397 1.583 1.844) 2.803 2.418 ( 0.522 3.358 -0.241) 3.407 2.578 ( 0.421 -1.101 0.610) 1.327 2.675 ( 2.994 -0.604 -0.802) 3.158 2.752 ( -3.140 1.679 0.671) 3.624 2.868 ( -1.823 -2.137 -0.593) 2.871 3.007 ( -1.355 -3.557 -0.207) 3.812 3.151 ( 1.607 0.933 -0.561) 1.941 3.218 ( 1.840 -0.544 -0.303) 1.943 5.375 ( -0.884 -5.835 0.508) 5.923 5.814 ( -2.887 -3.625 -2.111) 5.093 6.125 ( -6.293 -17.031 -0.319) 18.160 6.229 ( -7.910 -16.301 -2.462) 18.286 6.547 ( -0.280 -16.569 0.783) 16.590 6.736 ( 2.535 -9.444 -1.232) 9.856 6.897 ( 5.102 -4.143 -0.458) 6.589 7.139 ( 2.997 -5.913 1.162) 6.730 7.320 ( 3.359 -3.948 1.426) 5.376 7.441 ( 5.158 -0.214 -0.389) 5.177 8.042 ( -2.846 1.497 0.304) 3.230 8.265 ( -1.649 2.875 -0.232) 3.323 ======================= Grid point 18 (12/242) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -5.395 0.552 -2.542) 5.989 1.076 ( -2.763 -7.071 -3.770) 8.477 1.155 ( 3.980 -4.172 -0.970) 5.847 1.275 ( 1.293 -1.704 0.616) 2.226 1.452 ( 2.445 -1.251 -1.262) 3.023 1.572 ( 5.267 1.915 -0.115) 5.606 1.656 ( -1.896 -3.684 0.921) 4.245 1.717 ( -1.219 -1.901 -2.385) 3.285 1.756 ( 0.810 1.550 -1.119) 2.076 1.806 ( 1.195 -1.961 1.861) 2.956 1.852 ( -0.427 -0.068 0.089) 0.442 1.915 ( -1.176 -1.256 -0.537) 1.802 1.951 ( -1.809 -0.487 0.260) 1.891 2.115 ( -3.673 -0.203 0.645) 3.735 2.208 ( 2.230 3.130 0.714) 3.909 2.283 ( 6.324 -6.301 2.244) 9.206 2.385 ( 3.101 0.309 0.044) 3.117 2.573 ( 2.426 2.390 0.914) 3.526 2.647 ( -2.014 2.472 -0.010) 3.189 2.723 ( -0.923 -0.241 0.517) 1.085 2.938 ( -1.326 -4.512 -0.118) 4.704 3.055 ( -1.435 -2.567 -0.262) 2.952 3.143 ( 1.201 0.431 -0.751) 1.481 3.227 ( 1.857 0.655 -0.364) 2.003 5.497 ( -0.808 -6.883 -0.188) 6.933 5.844 ( -1.898 -0.890 -1.465) 2.557 6.306 ( -6.101 -7.187 -1.249) 9.509 6.524 ( -4.364 -15.361 -2.411) 16.149 6.858 ( 2.910 -13.110 -0.090) 13.429 6.929 ( 2.060 -8.828 -1.515) 9.191 7.020 ( 1.515 -6.350 1.446) 6.687 7.258 ( 1.040 -4.376 0.237) 4.504 7.415 ( 4.186 -2.496 0.485) 4.898 7.488 ( 2.648 -2.806 0.230) 3.865 8.012 ( -2.743 -0.045 0.097) 2.745 8.196 ( -1.502 3.187 -0.120) 3.525 ======================= Grid point 19 (13/242) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -3.052 -3.510 -0.427) 4.671 1.106 ( -3.668 0.597 -2.787) 4.645 1.241 ( 1.272 -2.913 -0.611) 3.237 1.323 ( 3.449 -1.490 0.498) 3.790 1.458 ( 0.774 0.319 -0.150) 0.850 1.600 ( 4.874 -0.458 -0.685) 4.943 1.693 ( -0.691 -0.794 -0.167) 1.065 1.704 ( -0.733 2.027 -0.659) 2.254 1.785 ( 0.437 -3.199 0.973) 3.372 1.830 ( -1.458 -1.465 -0.235) 2.080 1.861 ( -0.031 -0.552 0.552) 0.781 1.934 ( -1.751 -2.121 0.095) 2.752 1.963 ( -0.343 -0.847 -0.285) 0.957 2.080 ( -2.343 2.232 -1.829) 3.717 2.163 ( -1.062 0.439 0.852) 1.430 2.346 ( 4.933 3.289 0.005) 5.929 2.417 ( 1.479 -2.047 1.076) 2.745 2.518 ( 2.771 4.554 1.026) 5.429 2.632 ( -2.554 -2.070 -1.567) 3.641 2.728 ( 0.921 0.116 2.179) 2.368 3.007 ( -2.023 -3.127 -0.233) 3.731 3.098 ( -0.856 -2.342 -0.094) 2.496 3.143 ( 0.895 -0.030 -0.453) 1.004 3.210 ( 1.536 1.847 -0.273) 2.418 5.632 ( -0.149 -6.977 -0.349) 6.987 5.818 ( -1.661 2.281 -0.626) 2.891 6.391 ( -2.671 -4.439 -1.093) 5.295 6.734 ( -1.989 -7.906 -1.253) 8.248 7.032 ( 3.325 -2.935 -0.943) 4.535 7.101 ( -0.032 -7.643 0.048) 7.643 7.169 ( 0.936 -7.404 0.993) 7.528 7.308 ( -0.595 -0.355 0.007) 0.693 7.456 ( 2.567 -0.074 0.052) 2.569 7.562 ( 1.011 -2.857 0.143) 3.034 8.021 ( -1.577 -2.034 -0.126) 2.576 8.128 ( -0.931 2.990 0.068) 3.132 ======================= Grid point 20 (14/242) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.151 -2.646 0.791) 3.501 1.065 ( -3.814 -0.614 -1.333) 4.087 1.267 ( -0.443 0.803 -0.164) 0.932 1.348 ( 1.415 0.640 0.490) 1.629 1.457 ( 0.195 0.037 0.355) 0.407 1.588 ( 0.092 3.248 0.235) 3.258 1.673 ( -0.763 0.086 -0.639) 0.999 1.712 ( 1.463 -1.105 0.552) 1.915 1.816 ( 1.049 -0.711 0.359) 1.318 1.867 ( -0.551 0.086 -0.315) 0.641 1.879 ( 1.680 -1.442 -0.893) 2.387 1.961 ( -0.436 0.008 0.685) 0.812 1.985 ( 0.001 -0.972 -0.004) 0.972 2.024 ( -0.031 -0.388 0.186) 0.432 2.172 ( -6.577 -1.147 -1.094) 6.765 2.282 ( 2.078 2.772 0.114) 3.466 2.438 ( -0.101 2.311 1.731) 2.889 2.468 ( 3.342 0.520 0.060) 3.382 2.649 ( -2.386 -0.815 -2.949) 3.880 2.737 ( 2.739 0.165 2.080) 3.443 3.032 ( -2.602 -0.699 -0.400) 2.723 3.129 ( 0.252 -0.770 -0.135) 0.821 3.154 ( 0.497 -0.374 0.254) 0.672 3.175 ( 0.510 1.721 0.044) 1.795 5.741 ( -1.010 4.516 -0.083) 4.628 5.761 ( 0.673 -5.755 0.022) 5.794 6.451 ( 1.098 -2.045 0.253) 2.335 6.810 ( -0.910 -0.902 -0.252) 1.306 7.045 ( -1.198 1.827 -0.037) 2.185 7.185 ( 1.498 -0.175 -0.133) 1.514 7.262 ( -1.105 3.815 -0.074) 3.972 7.297 ( 1.102 -3.702 0.407) 3.884 7.449 ( -0.056 1.438 -0.076) 1.441 7.592 ( 0.208 0.425 -0.023) 0.474 8.070 ( -0.148 -3.128 -0.229) 3.140 8.074 ( -0.093 1.898 0.227) 1.914 ======================= Grid point 21 (15/242) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 5.813 0.944 1.026) 5.977 1.117 ( -5.033 -5.795 -0.333) 7.682 1.195 ( -2.286 5.144 0.317) 5.638 1.318 ( 3.307 3.648 1.168) 5.060 1.463 ( -1.210 -0.672 0.245) 1.406 1.503 ( -3.188 4.098 0.905) 5.271 1.680 ( -0.301 -1.236 -0.151) 1.281 1.745 ( 1.096 -0.798 0.624) 1.492 1.805 ( 3.664 4.040 0.012) 5.455 1.848 ( 1.272 1.012 -0.286) 1.650 1.891 ( 1.474 0.502 0.373) 1.601 1.947 ( -0.948 1.002 0.572) 1.493 1.991 ( 3.055 0.545 -1.674) 3.526 2.078 ( -4.175 -1.924 -0.824) 4.671 2.136 ( -6.893 -3.164 0.710) 7.618 2.256 ( 3.310 3.353 0.740) 4.769 2.433 ( -3.596 -1.300 -1.130) 3.987 2.446 ( 1.552 2.088 0.557) 2.661 2.631 ( -2.148 -0.130 -1.409) 2.572 2.766 ( 4.641 -0.523 0.325) 4.681 3.005 ( -2.482 1.880 -0.205) 3.120 3.119 ( 0.954 2.707 0.035) 2.870 3.141 ( 0.927 -0.158 0.125) 0.949 3.183 ( -1.472 -1.113 0.529) 1.920 5.634 ( -0.094 5.859 0.173) 5.862 5.857 ( 1.216 -3.146 0.538) 3.415 6.477 ( 3.573 1.038 1.129) 3.888 6.764 ( -0.069 5.228 0.539) 5.256 6.955 ( -3.371 5.990 0.342) 6.882 7.111 ( 0.480 7.871 -0.281) 7.891 7.153 ( 0.001 6.651 -0.015) 6.651 7.323 ( 0.542 2.166 -0.036) 2.233 7.406 ( -1.671 1.964 0.095) 2.580 7.545 ( -0.419 4.111 -0.275) 4.141 8.047 ( 0.713 0.755 0.093) 1.043 8.143 ( 0.487 -3.779 -0.054) 3.811 ======================= Grid point 22 (16/242) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 5.726 -0.954 1.482) 5.991 1.007 ( -5.242 8.573 0.129) 10.050 1.208 ( -1.517 3.693 -0.085) 3.993 1.258 ( 3.917 0.364 2.189) 4.502 1.411 ( -4.307 2.617 0.464) 5.061 1.481 ( -1.180 -2.160 0.331) 2.484 1.695 ( 2.693 2.233 -0.813) 3.591 1.735 ( 0.636 2.406 1.046) 2.700 1.753 ( -0.712 0.051 0.931) 1.174 1.824 ( 1.974 2.596 0.111) 3.263 1.876 ( 1.099 1.944 -0.062) 2.234 1.925 ( -0.433 1.004 0.430) 1.175 1.955 ( -2.437 1.886 -1.781) 3.559 2.073 ( -2.991 0.488 -1.706) 3.478 2.161 ( 0.064 3.320 -0.104) 3.323 2.239 ( 0.687 -1.633 0.946) 2.009 2.315 ( -2.621 3.730 -1.221) 4.719 2.520 ( -1.352 -4.700 -0.213) 4.896 2.639 ( -0.875 -1.002 -0.009) 1.330 2.794 ( 3.693 0.136 -0.293) 3.707 2.943 ( -1.017 2.972 0.118) 3.143 3.071 ( 0.034 2.439 0.102) 2.442 3.149 ( 1.335 0.102 0.246) 1.361 3.188 ( -1.963 -0.333 0.311) 2.015 5.513 ( 0.429 6.520 0.092) 6.535 5.895 ( 1.326 0.095 0.847) 1.576 6.432 ( 3.726 6.561 0.617) 7.570 6.611 ( 1.629 10.807 1.253) 11.000 6.780 ( -2.858 9.970 0.145) 10.373 6.924 ( 0.296 10.458 -0.281) 10.466 6.984 ( -0.937 9.883 0.245) 9.931 7.226 ( -1.322 6.676 -0.431) 6.819 7.361 ( -0.960 2.174 0.600) 2.451 7.439 ( -1.211 5.497 -0.840) 5.691 8.051 ( 0.945 -0.622 -0.032) 1.132 8.219 ( 0.532 -3.588 0.048) 3.627 ======================= Grid point 23 (17/242) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -2.457 12.394 0.206) 12.637 0.979 ( 3.873 6.484 3.563) 8.351 1.026 ( -2.166 1.223 -1.524) 2.917 1.281 ( 1.415 0.772 0.471) 1.679 1.356 ( -1.399 2.279 0.154) 2.679 1.556 ( -1.495 -5.228 0.297) 5.446 1.632 ( 2.749 5.116 -1.792) 6.078 1.667 ( -1.481 3.218 1.967) 4.052 1.747 ( -0.326 7.885 -1.088) 7.966 1.756 ( -2.274 9.078 -1.239) 9.440 1.800 ( -0.315 -2.143 0.598) 2.247 1.851 ( 0.843 6.188 1.183) 6.356 1.932 ( -0.892 -0.215 -0.775) 1.201 2.010 ( -0.714 2.207 0.215) 2.330 2.104 ( 0.695 -0.022 -0.775) 1.041 2.215 ( -0.170 0.821 -0.613) 1.039 2.383 ( -1.345 -6.186 -0.091) 6.331 2.577 ( 0.597 -0.795 0.054) 0.996 2.629 ( -1.304 2.016 0.060) 2.402 2.804 ( 1.198 -0.379 -0.253) 1.281 2.903 ( 0.613 0.556 0.255) 0.866 3.014 ( -0.167 3.845 0.020) 3.849 3.150 ( 0.543 0.136 0.240) 0.609 3.182 ( -1.127 0.116 0.018) 1.133 5.388 ( 0.327 6.158 -0.096) 6.167 5.877 ( 1.019 2.266 0.598) 2.556 6.223 ( 1.714 16.299 0.177) 16.389 6.374 ( 2.793 14.395 0.894) 14.691 6.540 ( -0.082 13.459 -0.732) 13.479 6.721 ( 0.295 10.010 0.048) 10.014 6.791 ( -3.129 7.842 0.643) 8.468 7.072 ( -1.356 7.427 -0.538) 7.569 7.309 ( 1.784 3.905 0.820) 4.371 7.345 ( -3.232 1.633 -0.986) 3.753 8.077 ( 0.570 -1.498 -0.067) 1.604 8.287 ( 0.325 -3.082 0.052) 3.099 ======================= Grid point 24 (18/242) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -0.000 13.001 -0.000) 13.001 0.681 ( -0.000 17.372 -0.000) 17.372 1.127 ( -0.000 3.996 -0.000) 3.996 1.255 ( -0.000 5.252 -0.000) 5.252 1.269 ( -0.000 0.487 -0.000) 0.487 1.421 ( -0.000 8.435 -0.000) 8.435 1.550 ( -0.000 10.733 -0.000) 10.733 1.588 ( -0.000 3.574 -0.000) 3.574 1.601 ( -0.000 0.212 -0.000) 0.212 1.706 ( -0.000 6.921 -0.000) 6.921 1.741 ( 0.000 -4.921 0.000) 4.921 1.792 ( -0.000 3.401 -0.000) 3.401 1.968 ( 0.000 -3.321 0.000) 3.321 2.005 ( 0.000 -0.495 0.000) 0.495 2.139 ( 0.000 -2.005 0.000) 2.005 2.202 ( -0.000 0.210 -0.000) 0.210 2.461 ( -0.000 0.148 -0.000) 0.148 2.561 ( -0.000 2.074 -0.000) 2.074 2.570 ( -0.000 0.518 -0.000) 0.518 2.838 ( 0.000 -2.797 0.000) 2.797 2.862 ( -0.000 7.826 -0.000) 7.826 2.955 ( 0.000 -1.162 0.000) 1.162 3.165 ( -0.000 1.599 -0.000) 1.599 3.165 ( 0.000 -1.590 0.000) 1.590 5.288 ( -0.000 3.693 -0.000) 3.693 5.835 ( -0.000 1.889 -0.000) 1.889 5.856 ( -0.000 19.844 -0.000) 19.844 6.096 ( -0.000 14.103 -0.000) 14.103 6.246 ( -0.000 15.865 -0.000) 15.865 6.533 ( -0.000 9.193 -0.000) 9.193 6.660 ( -0.000 4.615 -0.000) 4.615 6.946 ( -0.000 4.404 -0.000) 4.404 7.246 ( -0.000 2.451 -0.000) 2.451 7.331 ( 0.000 -0.663 0.000) 0.663 8.111 ( 0.000 -1.741 0.000) 1.741 8.342 ( 0.000 -2.369 0.000) 2.369 ======================= Grid point 27 (19/242) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 13.367 0.000 11.683) 17.753 0.405 ( 14.614 0.000 8.923) 17.122 0.767 ( 30.390 0.000 8.070) 31.443 1.196 ( -0.040 -0.000 3.059) 3.059 1.250 ( -2.932 -0.000 -1.142) 3.147 1.258 ( -2.703 -0.000 -0.432) 2.737 1.415 ( 1.358 0.000 3.953) 4.179 1.504 ( -2.133 -0.000 -4.209) 4.719 1.578 ( -0.925 -0.000 -4.125) 4.227 1.603 ( -0.179 -0.000 5.837) 5.840 1.661 ( 5.609 0.000 -4.743) 7.345 1.960 ( 1.093 0.000 -1.748) 2.062 2.007 ( 1.017 0.000 -3.586) 3.728 2.051 ( 4.702 0.000 3.675) 5.968 2.104 ( 4.089 0.000 0.849) 4.176 2.289 ( -3.772 -0.000 -4.039) 5.526 2.430 ( -3.075 -0.000 3.603) 4.737 2.468 ( -1.460 -0.000 0.456) 1.530 2.503 ( -0.998 -0.000 0.864) 1.320 2.678 ( 1.489 0.000 0.365) 1.534 2.935 ( -3.550 -0.000 0.069) 3.551 3.042 ( -0.137 -0.000 -0.079) 0.159 3.046 ( 1.177 0.000 1.289) 1.745 3.256 ( 2.675 0.000 0.453) 2.713 4.399 ( 3.227 0.000 1.457) 3.541 5.264 ( -3.027 -0.000 1.022) 3.195 5.468 ( -10.136 -0.000 17.824) 20.504 5.784 ( -1.758 -0.000 -0.361) 1.795 5.828 ( -0.656 -0.000 2.010) 2.114 6.321 ( 3.353 0.000 -0.290) 3.366 6.871 ( 2.408 0.000 -5.234) 5.761 6.957 ( 4.122 0.000 -0.261) 4.130 7.378 ( 1.025 0.000 3.395) 3.547 7.554 ( 6.169 0.000 -6.730) 9.129 8.152 ( -1.371 -0.000 -0.231) 1.390 8.374 ( -1.684 -0.000 -0.242) 1.701 ======================= Grid point 28 (20/242) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 9.912 -4.655 7.519) 13.284 0.611 ( 15.366 -5.645 2.076) 16.501 1.116 ( 17.966 -13.059 7.009) 23.290 1.191 ( -4.209 3.185 -0.417) 5.295 1.255 ( -0.371 -4.029 0.526) 4.080 1.341 ( 0.030 -7.262 0.470) 7.278 1.415 ( 0.312 -0.793 1.443) 1.676 1.528 ( -1.905 -2.404 -0.576) 3.121 1.549 ( -0.915 -2.531 0.495) 2.736 1.659 ( 3.077 -0.882 -0.705) 3.277 1.698 ( 2.490 -3.245 -2.822) 4.970 1.941 ( 3.906 4.675 -2.230) 6.487 1.992 ( 0.680 -1.144 -0.988) 1.658 2.043 ( 3.013 2.255 0.925) 3.875 2.179 ( -2.344 -0.073 -0.753) 2.463 2.223 ( 3.094 -0.541 1.591) 3.521 2.437 ( -1.419 -2.640 0.828) 3.109 2.486 ( -1.826 -0.194 1.154) 2.169 2.582 ( -3.508 -7.307 -0.376) 8.114 2.670 ( 2.319 0.510 -0.706) 2.478 2.890 ( -2.220 0.793 -0.001) 2.357 2.993 ( 0.480 3.878 0.857) 4.000 3.113 ( -0.206 -3.636 0.622) 3.694 3.240 ( 3.182 1.986 -0.367) 3.769 4.979 ( -11.730 -34.823 -6.223) 37.268 5.283 ( -3.593 -3.674 4.092) 6.569 5.560 ( -9.092 -11.643 6.972) 16.335 5.777 ( -1.487 -1.137 -0.321) 1.899 5.956 ( -2.043 -11.383 2.963) 11.938 6.405 ( 2.930 -6.170 -0.237) 6.834 6.858 ( 3.955 1.120 -4.454) 6.061 6.985 ( 3.794 -1.194 2.312) 4.600 7.331 ( 4.901 5.213 4.039) 8.216 7.494 ( 9.064 3.642 -4.157) 10.616 8.120 ( -2.016 1.853 0.386) 2.765 8.351 ( -2.038 1.276 -0.304) 2.423 ======================= Grid point 29 (21/242) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 3.219 -8.455 0.780) 9.080 0.781 ( 10.474 -3.546 -0.842) 11.090 1.092 ( -0.324 3.370 -1.320) 3.634 1.194 ( -2.090 -0.249 -1.261) 2.453 1.369 ( 3.372 -1.025 -1.145) 3.705 1.484 ( -4.064 -4.238 1.844) 6.155 1.610 ( -2.314 -6.515 -0.310) 6.921 1.634 ( 2.142 -6.214 3.411) 7.405 1.648 ( 6.481 -14.406 5.012) 16.573 1.704 ( 6.304 -2.855 -1.464) 7.073 1.754 ( 0.076 -2.506 -3.915) 4.649 1.860 ( 4.258 4.945 -1.726) 6.750 1.977 ( 0.189 2.129 -0.327) 2.163 2.021 ( 2.231 1.254 0.618) 2.633 2.156 ( 0.103 0.503 1.407) 1.498 2.268 ( 1.920 -0.337 2.749) 3.370 2.449 ( -2.996 0.326 0.105) 3.015 2.527 ( -1.132 -3.011 0.418) 3.243 2.654 ( 0.761 -2.764 0.221) 2.875 2.717 ( -0.268 -3.411 -1.491) 3.732 2.899 ( -1.842 3.944 -0.055) 4.354 2.920 ( -0.575 -2.825 0.338) 2.903 3.170 ( 1.334 -1.371 0.383) 1.950 3.220 ( 2.501 1.083 -0.700) 2.814 5.278 ( -0.387 -4.529 0.947) 4.643 5.573 ( -9.012 -24.063 -1.946) 25.769 5.747 ( -7.746 -9.693 -0.705) 12.428 5.897 ( -3.414 -12.913 0.317) 13.360 6.218 ( -2.273 -15.555 1.745) 15.816 6.568 ( 2.660 -8.616 -0.631) 9.040 6.869 ( 3.773 -1.245 -2.575) 4.735 7.062 ( 3.540 -3.962 2.364) 5.816 7.310 ( 6.494 0.584 3.051) 7.198 7.484 ( 6.997 1.504 -2.187) 7.484 8.065 ( -3.086 2.295 0.520) 3.881 8.304 ( -2.212 2.162 -0.331) 3.111 ======================= Grid point 30 (22/242) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -4.246 2.313 -3.847) 6.179 0.907 ( 2.032 -7.506 -2.002) 8.030 1.113 ( 6.298 -2.458 -1.125) 6.853 1.214 ( -1.538 -3.420 0.299) 3.762 1.421 ( 3.461 -2.755 -1.689) 4.735 1.544 ( -4.815 -4.324 1.774) 6.710 1.659 ( -2.095 -1.542 -2.380) 3.526 1.684 ( 2.916 2.690 -0.555) 4.005 1.761 ( 3.840 -2.994 1.379) 5.061 1.798 ( 1.904 1.339 -0.348) 2.353 1.824 ( 1.045 -3.409 -1.199) 3.762 1.922 ( 1.952 -0.810 0.434) 2.158 1.933 ( -1.243 0.657 0.308) 1.439 2.059 ( -0.350 -5.150 0.308) 5.172 2.186 ( 3.787 -2.961 4.708) 6.729 2.272 ( 3.041 0.678 1.653) 3.527 2.416 ( -0.455 1.345 -0.485) 1.500 2.577 ( -1.421 -2.569 0.719) 3.022 2.700 ( 1.493 0.602 -0.541) 1.698 2.732 ( -0.307 2.513 0.157) 2.536 2.848 ( -1.383 -2.815 -0.322) 3.153 2.986 ( -2.119 -3.497 -0.385) 4.107 3.171 ( 2.388 1.557 -0.411) 2.881 3.234 ( 1.439 -0.764 -0.360) 1.668 5.370 ( -0.572 -5.366 0.657) 5.437 5.777 ( -2.238 -4.716 -2.088) 5.623 6.058 ( -6.101 -18.108 0.123) 19.109 6.133 ( -7.637 -15.895 -2.765) 17.850 6.546 ( -0.252 -17.653 0.344) 17.658 6.762 ( 3.283 -9.495 -1.251) 10.124 6.936 ( 2.332 -3.958 -0.162) 4.596 7.173 ( 2.510 -4.899 1.085) 5.610 7.378 ( 5.773 -2.951 2.108) 6.817 7.493 ( 5.221 0.560 -1.163) 5.378 8.009 ( -3.638 1.476 0.371) 3.943 8.244 ( -2.108 2.665 -0.272) 3.409 ======================= Grid point 31 (23/242) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -4.508 -0.402 -2.608) 5.223 1.029 ( -2.455 -4.999 -2.712) 6.194 1.183 ( 1.254 -3.003 -1.392) 3.540 1.306 ( 4.449 -3.698 1.007) 5.872 1.476 ( 2.593 -0.225 -0.841) 2.735 1.604 ( -0.968 -2.466 1.190) 2.904 1.647 ( 1.545 -0.916 -2.181) 2.825 1.690 ( -1.864 -2.083 -0.942) 2.950 1.769 ( 1.970 0.923 -0.202) 2.185 1.830 ( 1.179 0.607 1.720) 2.172 1.862 ( 2.479 -0.324 0.292) 2.517 1.895 ( -2.262 0.049 -0.298) 2.282 1.934 ( -1.033 -1.203 -0.716) 1.739 2.073 ( -4.459 0.545 0.460) 4.515 2.220 ( 0.146 2.630 0.400) 2.665 2.367 ( 6.697 -4.919 2.376) 8.642 2.417 ( 3.066 0.367 -0.617) 3.149 2.595 ( 0.771 1.131 0.906) 1.642 2.613 ( -3.853 2.886 0.422) 4.833 2.731 ( 1.630 -0.050 0.082) 1.633 2.922 ( -1.488 -4.212 0.054) 4.467 3.038 ( -1.386 -3.032 -0.322) 3.350 3.153 ( 1.259 0.875 -0.759) 1.711 3.243 ( 1.462 0.624 -0.209) 1.604 5.488 ( -0.708 -6.908 -0.170) 6.946 5.821 ( -1.348 -1.030 -1.161) 2.055 6.242 ( -4.776 -8.184 -1.101) 9.540 6.468 ( -4.075 -17.111 -2.030) 17.706 6.875 ( 0.569 -14.712 -0.046) 14.723 6.955 ( 4.083 -7.661 -2.081) 8.927 7.038 ( 0.166 -5.590 1.922) 5.914 7.269 ( 1.014 -3.380 0.242) 3.537 7.465 ( 4.343 -1.700 0.855) 4.742 7.517 ( 2.829 -1.530 -0.366) 3.237 7.981 ( -3.056 -0.579 0.113) 3.113 8.179 ( -1.617 2.838 -0.122) 3.268 ======================= Grid point 32 (24/242) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -1.697 -5.656 -0.223) 5.910 1.057 ( -3.163 0.070 -2.136) 3.817 1.243 ( -0.181 -2.707 -0.583) 2.775 1.367 ( 4.243 0.247 0.481) 4.277 1.467 ( 0.472 0.617 0.180) 0.798 1.642 ( 3.280 -0.011 -0.575) 3.330 1.671 ( -1.352 -0.465 -1.363) 1.976 1.707 ( 0.251 0.228 0.512) 0.614 1.795 ( 0.352 -2.599 1.192) 2.882 1.814 ( -0.989 -1.400 -0.408) 1.762 1.866 ( 0.260 0.714 0.434) 0.876 1.920 ( -0.835 -3.308 0.163) 3.416 1.956 ( -0.469 -1.112 -0.678) 1.384 2.048 ( -1.974 0.189 -1.061) 2.249 2.156 ( -0.960 2.941 0.595) 3.151 2.359 ( -0.303 4.855 -0.768) 4.925 2.470 ( 5.175 -1.931 2.186) 5.940 2.545 ( 1.297 4.794 1.088) 5.085 2.601 ( -1.334 -1.991 -2.275) 3.304 2.746 ( 0.521 -0.661 1.684) 1.882 2.983 ( -2.024 -2.692 -0.189) 3.373 3.090 ( -0.524 -2.658 -0.150) 2.713 3.148 ( 0.385 -0.013 -0.454) 0.595 3.224 ( 1.280 1.926 -0.058) 2.313 5.628 ( -0.225 -7.426 -0.303) 7.436 5.800 ( -1.286 2.088 -0.427) 2.489 6.367 ( -1.215 -6.246 -0.665) 6.398 6.707 ( -1.991 -8.946 -1.027) 9.222 7.051 ( 0.910 -1.366 -0.743) 1.802 7.109 ( 1.441 -8.078 -0.190) 8.208 7.182 ( 0.532 -7.682 1.002) 7.765 7.304 ( -0.193 0.377 0.067) 0.429 7.480 ( 1.961 1.215 0.042) 2.307 7.574 ( 1.062 -2.213 0.029) 2.455 8.004 ( -1.443 -2.836 -0.087) 3.183 8.118 ( -0.800 2.536 0.046) 2.660 ======================= Grid point 33 (25/242) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.327 -5.971 1.227) 6.945 1.010 ( -4.744 0.752 -1.688) 5.091 1.262 ( -0.290 1.234 -0.085) 1.270 1.368 ( 1.639 0.829 0.472) 1.896 1.455 ( -0.794 0.633 0.093) 1.020 1.592 ( 0.383 5.003 0.336) 5.029 1.664 ( -0.387 -0.099 -0.399) 0.565 1.729 ( 1.078 -1.330 0.418) 1.762 1.833 ( 1.542 -2.328 0.403) 2.821 1.858 ( -0.504 -0.358 -0.663) 0.906 1.896 ( 2.150 -2.817 -0.689) 3.610 1.960 ( -0.390 -0.457 0.710) 0.931 1.986 ( 0.072 -1.546 -0.001) 1.547 2.025 ( 0.244 0.397 0.412) 0.621 2.098 ( -6.137 2.274 -0.998) 6.620 2.296 ( 0.699 -0.063 -0.085) 0.706 2.443 ( -0.020 5.615 0.722) 5.661 2.513 ( 3.909 0.755 1.942) 4.430 2.608 ( -2.660 -0.284 -3.150) 4.133 2.773 ( 2.296 -1.093 1.356) 2.882 3.001 ( -2.537 -0.447 -0.440) 2.613 3.131 ( 0.342 -1.499 -0.170) 1.547 3.155 ( -0.298 -0.704 0.236) 0.801 3.183 ( 0.837 2.737 0.053) 2.862 5.731 ( -0.655 4.114 -0.061) 4.166 5.766 ( 0.324 -6.294 0.001) 6.302 6.465 ( 1.156 -3.568 0.269) 3.760 6.798 ( -0.969 -1.474 -0.268) 1.785 7.032 ( -1.004 2.950 -0.035) 3.116 7.201 ( 1.518 -0.395 -0.191) 1.580 7.251 ( -0.943 4.433 0.084) 4.533 7.309 ( 0.709 -4.005 0.307) 4.079 7.448 ( -0.044 2.517 -0.079) 2.519 7.594 ( 0.209 0.779 -0.023) 0.806 8.068 ( -0.143 -3.848 -0.141) 3.853 8.074 ( -0.101 1.696 0.139) 1.704 ======================= Grid point 34 (26/242) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 4.209 1.539 0.775) 4.548 1.058 ( -4.262 -7.050 -0.672) 8.266 1.178 ( -0.876 5.923 0.109) 5.989 1.364 ( 3.794 1.328 0.917) 4.123 1.428 ( -3.891 2.083 -0.447) 4.436 1.495 ( -0.115 3.558 0.509) 3.596 1.678 ( -0.080 -1.585 0.029) 1.587 1.754 ( 0.310 -0.374 0.210) 0.529 1.849 ( 2.748 2.880 -0.757) 4.052 1.869 ( 2.892 1.834 1.769) 3.855 1.901 ( 0.171 -0.218 -0.525) 0.594 1.944 ( 0.368 2.055 1.471) 2.554 1.988 ( -4.201 3.708 -3.618) 6.670 2.035 ( 0.457 -2.203 0.008) 2.250 2.084 ( -3.625 -6.519 1.115) 7.542 2.300 ( 3.242 5.439 0.804) 6.383 2.389 ( -3.017 -3.600 -0.823) 4.769 2.464 ( 0.954 5.125 0.306) 5.222 2.607 ( -1.106 -1.531 -0.704) 2.016 2.809 ( 2.568 -0.626 0.258) 2.656 2.977 ( -1.901 1.358 -0.187) 2.343 3.127 ( 0.391 3.078 0.046) 3.103 3.154 ( 1.419 -0.483 -0.133) 1.505 3.169 ( -1.488 -0.746 0.360) 1.703 5.634 ( -0.048 5.519 0.058) 5.519 5.868 ( 0.455 -3.501 0.205) 3.536 6.509 ( 1.539 0.208 0.467) 1.621 6.763 ( -0.275 4.508 0.127) 4.518 6.930 ( -1.272 6.603 0.107) 6.725 7.113 ( 0.174 8.291 -0.141) 8.294 7.154 ( 0.100 6.315 0.079) 6.317 7.326 ( 0.148 3.037 -0.050) 3.041 7.395 ( -0.549 2.010 0.078) 2.085 7.541 ( -0.142 4.493 -0.119) 4.497 8.052 ( 0.227 0.478 0.034) 0.531 8.146 ( 0.163 -3.963 -0.020) 3.967 ======================= Grid point 35 (27/242) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 -2.723 0.000) 2.723 0.969 ( -0.000 10.735 -0.000) 10.735 1.193 ( -0.000 0.220 -0.000) 0.220 1.298 ( -0.000 4.602 -0.000) 4.602 1.378 ( -0.000 0.496 -0.000) 0.496 1.478 ( 0.000 -1.312 0.000) 1.312 1.709 ( -0.000 0.490 -0.000) 0.490 1.749 ( 0.000 -0.751 0.000) 0.751 1.750 ( -0.000 5.807 -0.000) 5.807 1.837 ( -0.000 2.939 -0.000) 2.939 1.883 ( -0.000 3.579 -0.000) 3.579 1.922 ( -0.000 1.594 -0.000) 1.594 1.927 ( 0.000 -0.539 0.000) 0.539 2.058 ( -0.000 0.664 -0.000) 0.664 2.160 ( -0.000 3.241 -0.000) 3.241 2.250 ( 0.000 -5.105 0.000) 5.105 2.294 ( -0.000 7.653 -0.000) 7.653 2.512 ( 0.000 -5.155 0.000) 5.155 2.634 ( 0.000 -1.017 0.000) 1.017 2.815 ( -0.000 0.654 -0.000) 0.654 2.936 ( -0.000 2.146 -0.000) 2.146 3.071 ( -0.000 2.598 -0.000) 2.598 3.163 ( -0.000 0.413 -0.000) 0.413 3.173 ( 0.000 -0.490 0.000) 0.490 5.516 ( -0.000 6.433 -0.000) 6.433 5.904 ( 0.000 -0.087 0.000) 0.087 6.454 ( -0.000 6.629 -0.000) 6.629 6.622 ( -0.000 9.801 -0.000) 9.801 6.765 ( -0.000 9.780 -0.000) 9.780 6.925 ( -0.000 10.360 -0.000) 10.360 6.980 ( -0.000 10.674 -0.000) 10.674 7.217 ( -0.000 7.125 -0.000) 7.125 7.358 ( -0.000 1.792 -0.000) 1.792 7.430 ( -0.000 6.154 -0.000) 6.154 8.056 ( 0.000 -0.708 0.000) 0.708 8.222 ( 0.000 -3.633 0.000) 3.633 ======================= Grid point 40 (28/242) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 12.233 0.000 11.019) 16.464 0.591 ( 13.430 0.000 7.631) 15.446 1.099 ( 25.785 0.000 6.740) 26.651 1.194 ( -2.770 -0.000 1.177) 3.010 1.212 ( -2.917 -0.000 -1.414) 3.242 1.240 ( -0.602 -0.000 1.346) 1.474 1.449 ( 1.092 0.000 5.635) 5.740 1.459 ( -2.599 -0.000 -4.345) 5.062 1.547 ( -0.989 -0.000 -4.992) 5.089 1.631 ( 0.636 0.000 5.370) 5.407 1.703 ( 5.813 0.000 -3.903) 7.001 1.957 ( 0.015 0.000 -2.149) 2.149 2.006 ( 1.793 0.000 -3.034) 3.524 2.121 ( 5.231 0.000 3.635) 6.370 2.150 ( 2.923 0.000 0.223) 2.931 2.229 ( -2.969 -0.000 -3.741) 4.776 2.405 ( -3.658 -0.000 1.708) 4.037 2.451 ( -2.076 -0.000 0.405) 2.116 2.499 ( -0.442 -0.000 0.043) 0.444 2.692 ( 0.937 0.000 -0.132) 0.946 2.895 ( -4.246 -0.000 0.423) 4.267 3.040 ( -0.147 -0.000 -0.097) 0.176 3.066 ( 1.755 0.000 0.854) 1.952 3.289 ( 3.046 0.000 0.518) 3.090 4.447 ( 4.335 0.000 1.917) 4.740 5.229 ( -4.375 -0.000 0.849) 4.457 5.441 ( -7.092 -0.000 11.498) 13.510 5.765 ( -1.428 -0.000 -0.395) 1.481 5.829 ( -0.871 -0.000 2.050) 2.227 6.357 ( 3.539 0.000 -0.249) 3.548 6.867 ( 0.123 0.000 -3.241) 3.243 6.998 ( 3.044 0.000 1.512) 3.399 7.420 ( 3.434 0.000 4.415) 5.593 7.595 ( 7.100 0.000 -6.935) 9.925 8.133 ( -2.118 -0.000 0.080) 2.120 8.351 ( -2.429 -0.000 -0.339) 2.452 ======================= Grid point 41 (29/242) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 10.214 -0.491 8.667) 13.404 0.771 ( 12.723 -4.316 2.772) 13.718 1.148 ( -2.979 3.027 -1.315) 4.446 1.190 ( -1.606 0.477 -1.272) 2.103 1.344 ( -0.779 -8.388 1.401) 8.540 1.378 ( 14.503 -8.810 3.939) 17.420 1.407 ( -1.359 -1.701 -0.265) 2.193 1.515 ( 0.461 -3.435 2.184) 4.097 1.551 ( 0.435 -3.439 0.836) 3.566 1.679 ( 0.601 -2.540 1.156) 2.854 1.725 ( 4.925 -0.324 -3.491) 6.045 1.965 ( 2.939 2.742 -2.374) 4.668 1.991 ( 0.210 -0.506 -1.542) 1.636 2.093 ( 4.821 3.366 1.030) 5.969 2.135 ( -3.659 -0.073 -1.801) 4.079 2.270 ( 3.044 -1.628 3.200) 4.707 2.417 ( -2.331 -2.646 0.592) 3.576 2.468 ( -2.440 -0.799 -0.019) 2.567 2.547 ( -2.756 -6.179 -0.515) 6.785 2.687 ( 1.342 0.105 -0.523) 1.444 2.863 ( -2.787 -0.224 -0.017) 2.796 3.006 ( 1.138 4.414 0.685) 4.609 3.113 ( -0.177 -3.834 0.390) 3.858 3.276 ( 3.502 2.257 -0.048) 4.167 4.876 ( -4.948 -31.073 -2.054) 31.532 5.269 ( -1.931 -4.307 2.547) 5.363 5.494 ( -8.419 -8.248 4.907) 12.766 5.764 ( -0.762 -1.912 -0.141) 2.063 5.947 ( -1.652 -10.587 1.945) 10.890 6.436 ( 2.900 -5.756 -0.237) 6.450 6.860 ( 0.020 -0.297 -3.094) 3.108 7.031 ( 2.888 -1.615 2.457) 4.122 7.411 ( 6.172 3.584 4.517) 8.447 7.565 ( 8.210 3.429 -5.220) 10.316 8.097 ( -2.681 2.132 0.486) 3.459 8.324 ( -2.610 1.221 -0.378) 2.906 ======================= Grid point 42 (30/242) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 3.948 -1.720 3.089) 5.299 0.862 ( 5.589 0.611 -1.819) 5.909 1.109 ( 4.479 -1.165 -0.496) 4.654 1.162 ( -2.700 0.097 -1.361) 3.025 1.393 ( 2.233 -0.946 -1.619) 2.915 1.441 ( -4.967 -3.832 0.463) 6.290 1.580 ( -2.620 -5.116 0.012) 5.748 1.657 ( 0.757 -6.121 2.956) 6.839 1.730 ( -0.857 -2.141 -1.649) 2.835 1.747 ( 6.186 -5.590 2.158) 8.612 1.774 ( 6.889 -9.060 -0.379) 11.388 1.897 ( 3.979 4.786 -1.140) 6.327 1.973 ( -0.551 1.210 -0.904) 1.608 2.054 ( 3.481 3.369 0.740) 4.900 2.168 ( 1.152 -3.083 1.440) 3.592 2.293 ( 0.261 0.569 2.750) 2.820 2.416 ( -3.392 -0.413 0.006) 3.417 2.508 ( -2.057 -2.415 -0.116) 3.174 2.653 ( -0.475 -5.489 -0.099) 5.510 2.723 ( 1.683 -2.604 -0.978) 3.251 2.876 ( -2.145 1.002 -0.296) 2.386 2.918 ( -0.213 1.517 0.394) 1.582 3.184 ( 0.929 -2.692 0.356) 2.870 3.245 ( 2.666 2.276 -0.557) 3.549 5.282 ( 0.299 -5.819 0.845) 5.888 5.491 ( -5.296 -24.586 -0.540) 25.156 5.659 ( -7.953 -11.280 -0.924) 13.832 5.867 ( -2.348 -9.042 0.033) 9.342 6.205 ( -1.374 -15.875 0.942) 15.962 6.594 ( 2.626 -8.633 -0.522) 9.039 6.878 ( 0.288 -2.346 -1.931) 3.052 7.105 ( 2.569 -3.711 2.177) 5.011 7.404 ( 7.911 1.326 3.276) 8.664 7.543 ( 5.968 1.915 -2.926) 6.917 8.033 ( -3.465 2.625 0.574) 4.385 8.277 ( -2.480 2.018 -0.353) 3.217 ======================= Grid point 43 (31/242) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -3.049 4.340 -2.675) 5.940 0.919 ( 1.776 -4.584 -1.080) 5.034 1.142 ( -0.111 -0.961 -1.791) 2.035 1.237 ( 5.426 -5.590 1.106) 7.869 1.448 ( 2.718 -3.075 -1.339) 4.317 1.497 ( -4.989 -4.734 0.796) 6.923 1.626 ( -2.307 -2.033 -1.192) 3.298 1.699 ( 0.423 1.449 -0.280) 1.535 1.802 ( 1.479 -3.520 0.377) 3.837 1.823 ( 3.689 2.380 -0.374) 4.406 1.845 ( 3.488 -2.562 0.225) 4.334 1.915 ( -1.848 0.324 0.753) 2.022 1.945 ( 1.915 2.441 -0.740) 3.189 2.043 ( -2.591 -1.579 0.125) 3.037 2.234 ( 1.686 -1.045 3.249) 3.807 2.321 ( 4.499 -3.612 1.474) 5.955 2.410 ( 0.089 -0.513 -0.610) 0.802 2.554 ( -3.436 -3.546 0.658) 4.981 2.699 ( -0.497 4.043 -0.068) 4.074 2.749 ( 2.507 0.538 -0.402) 2.596 2.835 ( -0.948 -3.125 -0.045) 3.266 2.962 ( -1.918 -3.648 -0.400) 4.141 3.194 ( 2.099 2.277 -0.227) 3.105 3.244 ( 0.796 -1.072 -0.304) 1.369 5.369 ( -0.165 -4.689 0.608) 4.731 5.750 ( -1.174 -5.687 -1.550) 6.010 6.003 ( -4.478 -20.108 0.697) 20.613 6.050 ( -5.585 -14.365 -2.609) 15.632 6.545 ( -0.176 -18.095 0.096) 18.096 6.791 ( 2.943 -9.752 -0.961) 10.231 6.947 ( 0.074 -4.443 -0.009) 4.443 7.201 ( 1.731 -4.205 0.981) 4.652 7.452 ( 6.196 -1.439 1.981) 6.662 7.535 ( 3.630 0.962 -1.548) 4.062 7.972 ( -3.439 1.452 0.347) 3.749 8.220 ( -1.959 2.413 -0.235) 3.117 ======================= Grid point 44 (32/242) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -2.770 -1.318 -1.767) 3.540 1.004 ( -0.794 -3.425 -1.214) 3.720 1.177 ( -0.724 -3.060 -0.925) 3.277 1.369 ( 5.973 -3.761 0.720) 7.095 1.489 ( -0.307 0.507 -0.289) 0.659 1.579 ( -2.359 -5.154 -0.197) 5.671 1.652 ( 0.094 -1.649 -1.223) 2.055 1.680 ( 0.365 -0.782 -0.173) 0.880 1.792 ( 1.869 1.437 0.608) 2.434 1.847 ( 1.009 0.898 0.801) 1.570 1.870 ( -1.708 1.579 -0.279) 2.343 1.892 ( 1.590 0.033 0.027) 1.590 1.928 ( 1.239 -0.979 -0.582) 1.683 2.027 ( -4.402 -0.060 0.273) 4.411 2.220 ( -0.241 2.675 0.280) 2.701 2.435 ( 4.037 -1.183 1.255) 4.390 2.445 ( 2.713 -2.083 -0.479) 3.454 2.579 ( -2.200 2.015 0.025) 2.983 2.596 ( -1.364 0.201 0.910) 1.652 2.749 ( 1.393 0.881 -0.075) 1.650 2.910 ( -0.926 -3.900 0.146) 4.011 3.025 ( -0.778 -3.482 -0.229) 3.575 3.161 ( 0.719 1.392 -0.496) 1.643 3.255 ( 0.810 0.496 -0.076) 0.953 5.482 ( -0.418 -6.826 -0.103) 6.839 5.806 ( -0.687 -0.939 -0.625) 1.321 6.199 ( -2.507 -9.235 -0.642) 9.591 6.425 ( -2.491 -18.149 -1.154) 18.356 6.876 ( -0.019 -14.724 -0.091) 14.724 6.989 ( 3.898 -8.014 -2.043) 9.143 7.039 ( -1.526 -5.282 1.967) 5.839 7.280 ( 0.711 -2.725 0.216) 2.824 7.509 ( 3.110 -0.338 0.795) 3.228 7.540 ( 1.792 -0.986 -0.606) 2.133 7.952 ( -2.208 -1.111 0.086) 2.473 8.163 ( -1.111 2.495 -0.081) 2.732 ======================= Grid point 45 (33/242) ======================= q-point: ( 0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -0.556 -7.317 -0.077) 7.339 1.026 ( -1.172 0.584 -0.776) 1.522 1.238 ( -0.240 -2.950 -0.233) 2.969 1.410 ( 2.865 2.398 0.269) 3.746 1.465 ( -0.940 0.037 0.047) 0.942 1.648 ( -0.534 -2.204 -0.343) 2.294 1.673 ( 1.525 1.537 -0.655) 2.262 1.709 ( -0.265 -1.313 0.379) 1.392 1.801 ( -0.036 -1.590 1.329) 2.073 1.807 ( -0.078 -1.268 -0.973) 1.600 1.867 ( -0.200 1.520 0.146) 1.540 1.917 ( -0.044 -4.404 0.097) 4.406 1.950 ( -0.115 -0.775 -0.375) 0.868 2.031 ( -0.680 -1.052 -0.307) 1.289 2.150 ( -0.484 4.172 0.224) 4.206 2.352 ( -0.305 5.538 -0.306) 5.554 2.520 ( 2.210 -2.242 1.602) 3.533 2.555 ( 0.246 3.997 0.322) 4.017 2.585 ( -0.187 -0.530 -1.578) 1.675 2.753 ( -0.061 -1.275 0.637) 1.426 2.967 ( -0.777 -2.147 -0.065) 2.284 3.086 ( -0.172 -2.861 -0.070) 2.867 3.149 ( 0.062 0.064 -0.191) 0.211 3.234 ( 0.495 1.887 0.001) 1.950 5.625 ( -0.107 -7.671 -0.122) 7.673 5.789 ( -0.495 2.017 -0.151) 2.082 6.357 ( -0.269 -7.355 -0.211) 7.363 6.688 ( -0.846 -9.460 -0.399) 9.506 7.052 ( 0.048 -1.290 -0.237) 1.313 7.122 ( 0.851 -7.433 -0.192) 7.484 7.189 ( 0.064 -8.034 0.449) 8.046 7.304 ( 0.009 0.821 0.043) 0.822 7.495 ( 0.740 2.033 0.013) 2.164 7.583 ( 0.486 -1.746 -0.005) 1.812 7.992 ( -0.606 -3.402 -0.030) 3.456 8.112 ( -0.322 2.236 0.016) 2.259 ======================= Grid point 46 (34/242) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.000 -9.578 0.000) 9.578 0.973 ( -0.000 3.737 -0.000) 3.737 1.261 ( -0.000 1.350 -0.000) 1.350 1.380 ( -0.000 0.745 -0.000) 0.745 1.448 ( -0.000 1.170 -0.000) 1.170 1.596 ( -0.000 5.452 -0.000) 5.452 1.661 ( 0.000 -0.172 0.000) 0.172 1.736 ( 0.000 -1.296 0.000) 1.296 1.844 ( 0.000 -3.437 0.000) 3.437 1.853 ( 0.000 -0.536 0.000) 0.536 1.909 ( 0.000 -4.243 0.000) 4.243 1.960 ( 0.000 -1.467 0.000) 1.467 1.986 ( 0.000 -1.512 0.000) 1.512 2.035 ( -0.000 0.846 -0.000) 0.846 2.051 ( -0.000 5.355 -0.000) 5.355 2.299 ( 0.000 -1.344 0.000) 1.344 2.444 ( -0.000 6.687 -0.000) 6.687 2.558 ( -0.000 2.881 -0.000) 2.881 2.569 ( 0.000 -1.719 0.000) 1.719 2.790 ( 0.000 -1.877 0.000) 1.877 2.985 ( 0.000 -0.069 0.000) 0.069 3.133 ( 0.000 -1.917 0.000) 1.917 3.154 ( 0.000 -0.457 0.000) 0.457 3.188 ( -0.000 2.822 -0.000) 2.822 5.728 ( -0.000 3.960 -0.000) 3.960 5.768 ( 0.000 -6.496 0.000) 6.496 6.472 ( 0.000 -4.142 0.000) 4.142 6.791 ( 0.000 -1.646 0.000) 1.646 7.026 ( -0.000 3.321 -0.000) 3.321 7.210 ( 0.000 -0.837 0.000) 0.837 7.245 ( -0.000 4.969 -0.000) 4.969 7.314 ( 0.000 -4.052 0.000) 4.052 7.448 ( -0.000 2.923 -0.000) 2.923 7.595 ( -0.000 0.923 -0.000) 0.923 8.067 ( 0.000 -4.080 0.000) 4.080 8.073 ( -0.000 1.582 -0.000) 1.582 ======================= Grid point 53 (35/242) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 11.407 0.000 6.086) 12.929 0.757 ( 10.539 0.000 9.958) 14.499 1.162 ( -2.868 -0.000 -0.286) 2.882 1.168 ( -3.447 -0.000 -1.694) 3.841 1.238 ( -1.446 -0.000 0.157) 1.454 1.363 ( 17.045 0.000 4.028) 17.514 1.419 ( -1.843 -0.000 -1.528) 2.394 1.497 ( 4.085 0.000 7.243) 8.315 1.513 ( -1.041 -0.000 -5.566) 5.663 1.660 ( 0.761 0.000 3.631) 3.710 1.744 ( 4.759 0.000 -2.901) 5.573 1.943 ( -0.667 -0.000 -2.027) 2.134 2.020 ( 3.067 0.000 -2.190) 3.768 2.113 ( -5.972 -0.000 -4.705) 7.603 2.190 ( 4.918 0.000 2.974) 5.748 2.248 ( 5.438 0.000 1.680) 5.691 2.371 ( -3.835 -0.000 1.202) 4.019 2.428 ( -2.511 -0.000 0.132) 2.515 2.488 ( -1.224 -0.000 -1.246) 1.747 2.696 ( -0.056 -0.000 -0.171) 0.180 2.852 ( -4.087 -0.000 0.387) 4.105 3.038 ( -0.116 -0.000 -0.088) 0.146 3.089 ( 1.886 0.000 0.476) 1.945 3.322 ( 2.677 0.000 0.398) 2.706 4.503 ( 4.537 0.000 1.940) 4.934 5.182 ( -4.775 -0.000 0.358) 4.788 5.422 ( -4.514 -0.000 7.640) 8.874 5.751 ( -0.822 -0.000 -0.297) 0.873 5.828 ( -0.841 -0.000 1.595) 1.803 6.391 ( 2.853 0.000 -0.154) 2.857 6.846 ( -1.437 -0.000 -2.479) 2.866 7.034 ( 2.137 0.000 2.029) 2.946 7.484 ( 4.518 0.000 4.496) 6.374 7.639 ( 6.623 0.000 -6.206) 9.076 8.109 ( -2.312 -0.000 0.239) 2.324 8.321 ( -2.731 -0.000 -0.368) 2.756 ======================= Grid point 54 (36/242) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 8.926 1.742 8.139) 12.205 0.897 ( 8.418 -1.966 1.846) 8.839 1.118 ( -1.410 1.467 -1.530) 2.545 1.162 ( -1.736 0.210 -1.191) 2.116 1.313 ( -4.575 -6.286 -2.495) 8.165 1.397 ( 0.250 -0.637 1.705) 1.837 1.455 ( 0.290 -2.870 -1.003) 3.054 1.560 ( 0.301 -4.556 1.610) 4.841 1.617 ( 12.084 -7.412 5.092) 15.063 1.684 ( -0.236 -1.488 0.573) 1.612 1.762 ( 4.123 -0.317 -1.831) 4.523 1.972 ( -0.609 -0.646 -2.328) 2.492 1.998 ( 2.787 3.030 -1.257) 4.304 2.073 ( -4.064 -3.491 -2.194) 5.789 2.167 ( 5.834 4.286 1.553) 7.404 2.307 ( 0.778 -0.099 3.550) 3.636 2.398 ( -2.020 -1.341 0.288) 2.441 2.439 ( -1.837 -2.874 -0.744) 3.491 2.516 ( -2.552 -5.653 -1.077) 6.295 2.694 ( 0.460 -0.599 -0.323) 0.821 2.834 ( -2.426 -0.806 0.027) 2.557 3.021 ( 1.104 4.469 0.390) 4.619 3.113 ( -0.081 -3.722 0.172) 3.727 3.309 ( 2.666 2.276 0.063) 3.506 4.841 ( -1.191 -26.583 -0.339) 26.612 5.263 ( -0.828 -7.749 0.996) 7.856 5.432 ( -6.449 -3.761 3.408) 8.206 5.759 ( -0.337 -2.287 -0.022) 2.311 5.939 ( -1.103 -10.117 1.123) 10.239 6.462 ( 2.135 -5.563 -0.146) 5.960 6.840 ( -1.212 -0.864 -2.112) 2.584 7.066 ( 1.799 -1.879 2.038) 3.305 7.494 ( 5.484 2.148 4.170) 7.216 7.618 ( 5.975 3.167 -4.878) 8.338 8.071 ( -2.467 2.461 0.483) 3.518 8.295 ( -2.467 1.157 -0.347) 2.746 ======================= Grid point 55 (37/242) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 2.894 5.064 3.434) 6.768 0.888 ( 1.926 1.136 -2.385) 3.269 1.130 ( -2.243 -0.170 -0.779) 2.380 1.171 ( 6.449 -3.447 0.142) 7.314 1.377 ( -4.666 -4.724 -1.057) 6.724 1.412 ( 0.520 -1.080 -0.363) 1.252 1.559 ( -1.445 -4.439 0.446) 4.690 1.675 ( 0.544 -6.027 2.051) 6.390 1.709 ( -0.928 -1.968 -2.065) 3.000 1.810 ( 3.985 -2.684 -0.156) 4.807 1.835 ( 4.130 -7.040 2.258) 8.469 1.928 ( 2.093 3.237 -0.928) 3.965 1.956 ( -1.578 1.035 -1.200) 2.237 2.097 ( 3.545 5.351 0.475) 6.436 2.193 ( 2.004 -6.739 1.264) 7.144 2.299 ( -0.947 1.247 2.169) 2.675 2.378 ( -3.404 -1.654 -0.555) 3.825 2.492 ( -0.677 -1.223 -0.018) 1.398 2.647 ( -0.404 -7.152 -0.351) 7.172 2.735 ( 1.109 -2.591 -0.435) 2.852 2.854 ( -1.643 -0.582 -0.179) 1.752 2.919 ( 0.110 4.049 0.208) 4.056 3.192 ( 0.424 -3.537 0.157) 3.566 3.268 ( 1.708 3.024 -0.263) 3.483 5.289 ( 0.494 -8.188 0.427) 8.214 5.457 ( -1.215 -21.980 0.522) 22.020 5.578 ( -6.056 -12.569 -1.062) 13.992 5.848 ( -1.303 -6.775 -0.054) 6.899 6.197 ( -0.625 -16.130 0.408) 16.148 6.616 ( 1.712 -8.771 -0.280) 8.940 6.868 ( -0.630 -3.018 -1.062) 3.261 7.133 ( 1.299 -3.572 1.356) 4.035 7.495 ( 6.229 1.392 3.063) 7.080 7.577 ( 2.748 2.291 -3.078) 4.720 8.002 ( -2.472 2.950 0.436) 3.874 8.252 ( -1.788 1.876 -0.245) 2.603 ======================= Grid point 56 (38/242) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.087 5.887 -0.939) 6.060 0.932 ( 0.902 -3.322 -0.305) 3.456 1.126 ( -0.856 -1.217 -0.637) 1.619 1.300 ( 4.318 -5.579 0.368) 7.065 1.445 ( -3.112 -3.641 0.176) 4.793 1.470 ( 0.694 -4.639 -0.558) 4.724 1.604 ( -0.954 -1.890 -0.298) 2.138 1.698 ( -0.049 0.803 -0.136) 0.816 1.807 ( 0.111 -4.092 0.005) 4.094 1.853 ( 1.721 2.004 -0.023) 2.642 1.884 ( 1.759 0.414 -0.283) 1.828 1.907 ( 0.376 0.036 1.688) 1.730 1.955 ( 0.685 -0.194 -1.554) 1.710 2.014 ( -2.354 2.780 0.326) 3.658 2.254 ( 0.380 0.956 1.081) 1.493 2.360 ( 1.340 -5.726 0.605) 5.911 2.420 ( 1.953 -2.995 -0.273) 3.586 2.519 ( -2.848 -2.858 0.320) 4.047 2.696 ( -0.097 5.068 -0.041) 5.069 2.769 ( 1.274 -0.203 -0.186) 1.303 2.827 ( -0.556 -3.062 0.037) 3.112 2.946 ( -0.777 -3.884 -0.174) 3.964 3.210 ( 0.873 2.951 -0.066) 3.078 3.248 ( 0.195 -1.485 -0.125) 1.503 5.370 ( 0.007 -4.120 0.257) 4.128 5.738 ( -0.312 -6.241 -0.580) 6.276 5.973 ( -1.679 -24.219 0.706) 24.287 5.999 ( -2.059 -10.599 -1.406) 10.888 6.544 ( -0.064 -18.229 0.012) 18.229 6.811 ( 1.276 -10.022 -0.381) 10.110 6.944 ( -0.352 -4.710 0.031) 4.724 7.217 ( 0.597 -3.905 0.407) 3.971 7.517 ( 4.133 -0.065 1.761) 4.492 7.548 ( -0.063 0.750 -1.672) 1.834 7.946 ( -1.503 1.453 0.156) 2.096 8.204 ( -0.838 2.220 -0.096) 2.375 ======================= Grid point 57 (39/242) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 -1.673 0.000) 1.673 0.998 ( 0.000 -2.781 0.000) 2.781 1.170 ( 0.000 -3.267 0.000) 3.267 1.414 ( 0.000 -4.176 0.000) 4.176 1.473 ( -0.000 0.887 -0.000) 0.887 1.567 ( 0.000 -4.893 0.000) 4.893 1.648 ( 0.000 -2.949 0.000) 2.949 1.683 ( 0.000 -0.183 0.000) 0.183 1.805 ( -0.000 2.272 -0.000) 2.272 1.848 ( 0.000 -1.581 0.000) 1.581 1.869 ( -0.000 4.437 -0.000) 4.437 1.892 ( 0.000 -0.761 0.000) 0.761 1.947 ( -0.000 1.239 -0.000) 1.239 1.996 ( 0.000 -1.826 0.000) 1.826 2.219 ( -0.000 2.750 -0.000) 2.750 2.459 ( -0.000 2.666 -0.000) 2.666 2.460 ( 0.000 -4.280 0.000) 4.280 2.570 ( 0.000 -2.313 0.000) 2.313 2.585 ( -0.000 2.574 -0.000) 2.574 2.756 ( -0.000 1.373 -0.000) 1.373 2.905 ( 0.000 -3.854 0.000) 3.854 3.021 ( 0.000 -3.661 0.000) 3.661 3.164 ( -0.000 1.626 -0.000) 1.626 3.259 ( -0.000 0.428 -0.000) 0.428 5.479 ( 0.000 -6.774 0.000) 6.774 5.801 ( 0.000 -0.857 0.000) 0.857 6.185 ( 0.000 -9.696 0.000) 9.696 6.409 ( 0.000 -18.488 0.000) 18.488 6.876 ( 0.000 -14.650 0.000) 14.650 7.011 ( 0.000 -9.724 0.000) 9.724 7.030 ( 0.000 -3.706 0.000) 3.706 7.285 ( 0.000 -2.512 0.000) 2.512 7.530 ( -0.000 1.052 -0.000) 1.052 7.548 ( 0.000 -1.569 0.000) 1.569 7.940 ( 0.000 -1.357 0.000) 1.357 8.157 ( -0.000 2.344 -0.000) 2.344 ======================= Grid point 67 (40/242) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 8.073 0.000 4.163) 9.084 0.894 ( 7.567 0.000 7.651) 10.761 1.121 ( -3.663 -0.000 -1.964) 4.156 1.139 ( -1.039 -0.000 -0.306) 1.083 1.201 ( -3.852 -0.000 -3.315) 5.082 1.413 ( -0.046 -0.000 2.947) 2.947 1.464 ( 2.374 0.000 2.421) 3.391 1.477 ( -1.016 -0.000 -5.623) 5.714 1.628 ( 11.677 0.000 5.576) 12.940 1.677 ( 0.323 0.000 1.709) 1.740 1.772 ( 1.933 0.000 -1.562) 2.485 1.931 ( 0.283 0.000 -1.721) 1.744 2.021 ( -6.658 -0.000 -4.373) 7.966 2.049 ( 2.722 0.000 -0.631) 2.795 2.248 ( 3.621 0.000 1.869) 4.074 2.321 ( 6.064 0.000 2.963) 6.749 2.339 ( -2.684 -0.000 0.515) 2.733 2.401 ( -2.332 -0.000 -0.196) 2.340 2.457 ( -3.279 -0.000 -2.420) 4.075 2.690 ( -0.639 -0.000 -0.094) 0.646 2.818 ( -2.383 -0.000 0.231) 2.394 3.037 ( -0.062 -0.000 -0.052) 0.081 3.107 ( 1.178 0.000 0.202) 1.196 3.346 ( 1.578 0.000 0.196) 1.590 4.553 ( 3.144 0.000 1.295) 3.400 5.138 ( -3.352 -0.000 -0.012) 3.352 5.413 ( -2.145 -0.000 3.980) 4.521 5.744 ( -0.332 -0.000 -0.147) 0.363 5.826 ( -0.522 -0.000 0.857) 1.003 6.414 ( 1.575 0.000 -0.067) 1.577 6.821 ( -1.292 -0.000 -1.471) 1.958 7.059 ( 1.093 0.000 1.372) 1.755 7.545 ( 3.296 0.000 3.188) 4.585 7.674 ( 4.043 0.000 -4.079) 5.743 8.089 ( -1.541 -0.000 0.230) 1.558 8.294 ( -1.994 -0.000 -0.260) 2.011 ======================= Grid point 68 (41/242) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 5.608 2.524 5.808) 8.459 0.947 ( 0.697 2.465 -1.877) 3.176 1.102 ( -0.861 -0.802 -0.504) 1.280 1.166 ( 2.980 -1.418 0.645) 3.363 1.244 ( -5.261 -5.453 -2.753) 8.062 1.414 ( 0.587 -0.096 2.315) 2.390 1.443 ( -0.606 -3.196 -1.783) 3.710 1.568 ( 0.095 -5.061 0.664) 5.105 1.682 ( -0.210 -0.613 -0.003) 0.648 1.739 ( 6.302 -4.306 2.105) 7.918 1.790 ( 1.494 -1.740 0.384) 2.326 1.942 ( -2.003 0.521 -2.602) 3.325 2.014 ( 0.183 1.902 -0.286) 1.932 2.041 ( -0.175 -5.795 -0.389) 5.811 2.227 ( 3.604 4.564 0.756) 5.864 2.323 ( 0.559 0.798 2.329) 2.525 2.362 ( -3.790 1.845 -1.057) 4.346 2.445 ( 2.483 -5.479 0.595) 6.045 2.481 ( -2.961 -6.172 -1.330) 6.973 2.696 ( 0.068 -1.236 -0.113) 1.243 2.816 ( -0.975 -0.995 0.031) 1.394 3.030 ( 0.438 4.294 0.121) 4.318 3.113 ( -0.010 -3.470 0.045) 3.470 3.329 ( 0.986 2.222 0.032) 2.431 4.836 ( -0.034 -23.964 0.050) 23.964 5.260 ( -0.180 -12.011 0.074) 12.013 5.394 ( -2.496 0.782 1.384) 2.959 5.756 ( -0.100 -2.363 0.004) 2.365 5.935 ( -0.389 -9.922 0.366) 9.936 6.477 ( 0.793 -5.531 -0.045) 5.588 6.822 ( -0.624 -1.097 -0.776) 1.481 7.085 ( 0.600 -1.992 0.789) 2.225 7.553 ( 2.369 1.069 2.116) 3.351 7.645 ( 2.110 3.341 -2.418) 4.633 8.053 ( -1.018 2.729 0.227) 2.921 8.274 ( -1.078 1.103 -0.149) 1.550 ======================= Grid point 69 (42/242) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.000 9.174 -0.000) 9.174 0.892 ( 0.000 -0.786 0.000) 0.786 1.115 ( 0.000 -0.145 0.000) 0.145 1.217 ( 0.000 -3.528 0.000) 3.528 1.339 ( 0.000 -5.667 0.000) 5.667 1.415 ( 0.000 -1.098 0.000) 1.098 1.552 ( 0.000 -4.155 0.000) 4.155 1.685 ( 0.000 -7.212 0.000) 7.212 1.697 ( 0.000 -0.698 0.000) 0.698 1.828 ( 0.000 -3.438 0.000) 3.438 1.874 ( 0.000 -5.036 0.000) 5.036 1.922 ( -0.000 0.797 -0.000) 0.797 1.949 ( -0.000 3.527 -0.000) 3.527 2.120 ( -0.000 6.473 -0.000) 6.473 2.209 ( 0.000 -8.459 0.000) 8.459 2.299 ( -0.000 1.934 -0.000) 1.934 2.353 ( 0.000 -2.842 0.000) 2.842 2.490 ( 0.000 -0.427 0.000) 0.427 2.644 ( 0.000 -7.889 0.000) 7.889 2.741 ( 0.000 -2.597 0.000) 2.597 2.844 ( 0.000 -1.021 0.000) 1.021 2.920 ( -0.000 4.796 -0.000) 4.796 3.195 ( 0.000 -3.801 0.000) 3.801 3.276 ( -0.000 3.251 -0.000) 3.251 5.293 ( 0.000 -9.794 0.000) 9.794 5.457 ( 0.000 -19.679 0.000) 19.679 5.538 ( 0.000 -13.440 0.000) 13.440 5.841 ( 0.000 -6.034 0.000) 6.034 6.195 ( 0.000 -16.223 0.000) 16.223 6.625 ( 0.000 -8.859 0.000) 8.859 6.861 ( 0.000 -3.215 0.000) 3.215 7.143 ( 0.000 -3.525 0.000) 3.525 7.545 ( -0.000 0.588 -0.000) 0.588 7.576 ( -0.000 3.179 -0.000) 3.179 7.989 ( -0.000 3.104 -0.000) 3.104 8.241 ( -0.000 1.810 -0.000) 1.810 ======================= Grid point 82 (43/242) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.000 -0.000 0.000) 0.000 0.960 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.145 ( -0.000 -0.000 -0.000) 0.000 1.151 ( 0.000 0.000 0.000) 0.000 1.430 ( -0.000 -0.000 -0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.679 ( -0.000 -0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.946 ( -0.001 -0.000 -0.000) 0.001 1.948 ( 0.001 0.000 0.000) 0.001 2.065 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.386 ( -0.000 -0.000 0.000) 0.000 2.395 ( -0.000 -0.000 -0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 -0.000) 0.000 8.081 ( -0.000 -0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/242) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( -6.373 -0.000 15.749) 16.990 0.343 ( 6.310 0.000 16.391) 17.564 0.594 ( 4.350 0.000 28.052) 28.388 1.199 ( 2.298 0.000 2.003) 3.048 1.296 ( -0.568 -0.000 -0.155) 0.589 1.316 ( 0.184 0.000 -3.519) 3.524 1.421 ( -0.087 -0.000 1.741) 1.743 1.486 ( -1.897 -0.000 -6.381) 6.657 1.508 ( 1.748 0.000 -2.377) 2.951 1.572 ( -2.323 -0.000 -2.627) 3.507 1.687 ( -0.766 -0.000 4.611) 4.674 1.954 ( -0.919 -0.000 0.225) 0.946 1.969 ( -3.120 -0.000 -1.344) 3.397 2.029 ( 1.608 0.000 4.376) 4.662 2.041 ( 1.615 0.000 0.381) 1.659 2.296 ( -1.145 -0.000 -5.396) 5.516 2.468 ( 4.784 0.000 -5.001) 6.921 2.484 ( 0.395 0.000 0.200) 0.442 2.594 ( -5.477 -0.000 0.539) 5.504 2.750 ( -1.387 -0.000 -2.688) 3.025 2.987 ( -1.419 -0.000 0.588) 1.536 3.043 ( -0.034 -0.000 -0.089) 0.095 3.057 ( 1.186 0.000 1.984) 2.312 3.224 ( 0.252 0.000 0.178) 0.308 4.361 ( 1.083 0.000 0.403) 1.156 5.300 ( 0.827 0.000 0.900) 1.222 5.812 ( -0.401 -0.000 0.184) 0.441 5.821 ( 0.799 0.000 -0.231) 0.831 6.075 ( 36.773 0.000 1.498) 36.804 6.276 ( -0.158 -0.000 -0.536) 0.559 6.731 ( -43.294 -0.000 0.719) 43.300 6.877 ( 2.783 0.000 -0.784) 2.892 7.301 ( 10.025 0.000 1.094) 10.084 7.370 ( 0.694 0.000 0.544) 0.882 8.138 ( 0.690 0.000 -1.513) 1.663 8.401 ( -0.445 -0.000 0.685) 0.817 ======================= Grid point 152 (45/242) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 1.173 -8.141 9.982) 12.934 0.459 ( 1.791 -4.785 14.324) 15.208 0.940 ( 8.791 -18.559 14.373) 25.066 1.250 ( 0.637 -0.042 -1.153) 1.318 1.283 ( -2.830 4.249 -3.378) 6.122 1.331 ( 1.257 -8.154 2.002) 8.490 1.411 ( 0.800 -1.367 0.498) 1.661 1.483 ( 2.656 -1.504 -5.418) 6.219 1.559 ( 0.533 -2.942 -3.569) 4.656 1.580 ( -1.396 -3.399 0.737) 3.747 1.717 ( -0.919 -1.810 3.451) 4.003 1.885 ( -0.255 4.677 0.628) 4.726 1.976 ( -1.438 -1.362 -0.722) 2.108 2.006 ( 1.267 1.505 -0.419) 2.012 2.170 ( 2.599 -4.822 2.854) 6.176 2.198 ( -0.686 3.635 -3.409) 5.030 2.421 ( 2.174 1.159 -2.615) 3.592 2.525 ( -0.353 -0.256 0.278) 0.517 2.630 ( -0.578 -7.980 -0.717) 8.033 2.646 ( -0.817 0.919 1.140) 1.676 2.927 ( -0.384 3.458 1.332) 3.725 3.004 ( -0.351 2.506 0.595) 2.599 3.128 ( 0.115 -3.153 1.049) 3.325 3.194 ( 0.231 1.902 -0.412) 1.960 5.042 ( -3.799 -29.739 -13.569) 32.909 5.405 ( -2.752 -10.865 -0.644) 11.227 5.739 ( 1.865 -0.994 -1.397) 2.533 5.808 ( -0.651 0.600 -0.645) 1.095 6.205 ( -4.100 -6.507 6.974) 10.382 6.375 ( 2.121 -7.307 -0.061) 7.609 6.612 ( -3.116 -2.053 2.084) 4.275 6.906 ( 5.565 -0.889 -0.325) 5.645 7.282 ( 3.267 2.825 3.076) 5.302 7.353 ( 1.429 0.879 -0.088) 1.680 8.126 ( 0.530 1.136 -1.404) 1.882 8.385 ( -0.800 1.393 0.647) 1.732 ======================= Grid point 153 (46/242) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 2.607 -8.745 8.716) 12.619 0.650 ( 0.394 -11.227 1.833) 11.383 1.101 ( -1.221 5.992 -4.172) 7.403 1.210 ( -1.999 -2.349 -0.971) 3.234 1.310 ( 1.665 -1.513 0.247) 2.263 1.502 ( 3.401 -3.592 -4.964) 7.008 1.557 ( 5.638 -11.931 3.427) 13.634 1.592 ( 0.061 -4.463 2.372) 5.054 1.618 ( 1.671 -10.631 -0.617) 10.779 1.674 ( 0.467 -4.763 1.325) 4.966 1.731 ( -1.579 0.595 2.169) 2.748 1.808 ( -0.126 2.660 -0.093) 2.664 1.960 ( -0.911 1.607 -2.139) 2.826 1.984 ( 1.839 0.553 0.058) 1.921 2.155 ( 0.260 0.825 -1.273) 1.539 2.248 ( 3.003 -1.636 2.949) 4.515 2.465 ( 2.193 -0.519 -1.017) 2.472 2.535 ( -1.460 -1.095 -0.876) 2.025 2.605 ( 2.389 -0.030 0.551) 2.452 2.781 ( -4.661 -4.442 -0.277) 6.445 2.913 ( 2.018 -1.464 0.899) 2.650 2.940 ( -1.717 1.942 -0.245) 2.604 3.151 ( 0.146 1.304 -0.294) 1.344 3.182 ( 0.897 -0.866 0.272) 1.277 5.310 ( -0.899 -5.768 1.872) 6.131 5.699 ( -6.196 -15.875 -7.218) 18.507 5.833 ( -1.557 -8.826 -1.696) 9.121 5.937 ( -0.228 -15.692 -3.701) 16.124 6.371 ( -5.568 -10.884 4.900) 13.171 6.540 ( -0.400 -8.495 0.706) 8.534 6.693 ( 5.570 -4.723 0.039) 7.303 6.979 ( 5.548 -3.758 -0.264) 6.706 7.272 ( 0.291 -0.463 2.328) 2.392 7.362 ( 3.303 -0.443 0.266) 3.343 8.095 ( -0.266 1.676 -1.178) 2.066 8.343 ( -1.120 2.434 0.542) 2.734 ======================= Grid point 154 (47/242) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -4.735 -2.955 -0.547) 5.608 0.857 ( 0.717 -10.149 0.737) 10.201 1.025 ( 1.391 -2.079 -1.014) 2.700 1.246 ( -1.029 -2.059 -0.608) 2.381 1.342 ( 1.750 -1.852 -1.659) 3.041 1.553 ( 5.317 2.079 -2.760) 6.341 1.589 ( 0.860 -2.232 -4.382) 4.993 1.669 ( -1.815 -0.585 1.783) 2.610 1.748 ( -0.226 0.506 -1.153) 1.279 1.781 ( -0.811 -3.565 0.786) 3.740 1.809 ( -0.333 -6.159 0.122) 6.169 1.884 ( 2.369 -1.618 0.995) 3.037 1.939 ( 1.727 -4.050 0.822) 4.479 2.046 ( 2.525 -7.095 2.031) 7.800 2.146 ( 1.827 0.370 0.351) 1.897 2.277 ( 0.566 0.871 3.703) 3.846 2.409 ( 1.365 4.522 0.543) 4.755 2.560 ( 1.314 -0.356 -1.396) 1.950 2.637 ( 1.865 -0.747 -0.822) 2.171 2.807 ( -3.270 -0.177 1.620) 3.653 2.874 ( -1.674 -0.951 -0.751) 2.066 3.011 ( -0.176 -3.775 -0.360) 3.797 3.130 ( 0.372 0.612 -0.720) 1.015 3.198 ( 1.455 -0.132 0.124) 1.466 5.410 ( -1.484 -5.282 2.245) 5.928 5.793 ( -1.964 -3.096 -3.767) 5.257 6.167 ( -4.123 -19.606 -2.737) 20.221 6.222 ( -3.914 -13.460 -4.480) 14.716 6.583 ( -1.018 -11.833 1.727) 12.002 6.713 ( -0.921 -9.814 0.109) 9.858 6.847 ( 4.798 -7.508 1.185) 8.989 7.106 ( 4.030 -6.182 -0.684) 7.411 7.314 ( 2.228 -2.471 1.332) 3.584 7.404 ( 2.290 -2.295 0.890) 3.362 8.058 ( -1.179 1.381 -0.867) 2.012 8.283 ( -1.274 3.091 0.387) 3.366 ======================= Grid point 155 (48/242) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -6.676 -0.815 -1.389) 6.868 1.043 ( -0.154 -7.574 -1.764) 7.778 1.128 ( -0.577 -5.418 -0.294) 5.457 1.263 ( 2.772 0.442 0.451) 2.843 1.405 ( 2.566 -3.248 -1.344) 4.352 1.507 ( 5.229 2.672 -0.283) 5.879 1.654 ( -0.125 -3.501 -3.631) 5.045 1.696 ( -0.494 -1.928 -1.263) 2.357 1.736 ( -0.311 -0.729 0.287) 0.843 1.834 ( -0.766 -1.379 1.226) 1.998 1.852 ( -0.519 0.199 -0.970) 1.118 1.911 ( -0.059 -3.086 -0.087) 3.088 1.988 ( -2.851 -0.520 0.467) 2.936 2.151 ( 0.214 1.006 0.070) 1.030 2.193 ( 4.498 -0.897 1.920) 4.972 2.254 ( 2.359 1.212 1.134) 2.885 2.372 ( 1.031 -1.228 1.189) 1.996 2.544 ( 3.449 2.920 -0.267) 4.527 2.644 ( 0.755 0.204 -0.499) 0.928 2.778 ( -4.257 0.096 1.844) 4.640 2.940 ( -0.131 -4.356 -0.511) 4.388 3.065 ( -0.619 -2.501 -0.083) 2.578 3.125 ( -0.133 -0.106 -0.683) 0.704 3.203 ( 1.938 0.664 -0.033) 2.049 5.518 ( -1.486 -6.064 1.223) 6.362 5.825 ( -1.043 -1.384 -2.834) 3.322 6.359 ( -6.263 -6.297 -0.734) 8.912 6.503 ( -1.898 -14.883 -4.019) 15.532 6.817 ( 3.728 -9.913 0.191) 10.593 6.918 ( -0.821 -11.031 -0.216) 11.063 7.024 ( 1.948 -7.945 1.784) 8.372 7.238 ( 1.566 -5.338 -0.888) 5.634 7.381 ( 3.740 -2.096 0.466) 4.312 7.479 ( 0.802 -4.037 0.882) 4.210 8.031 ( -1.683 0.297 -0.552) 1.796 8.212 ( -1.163 3.458 0.239) 3.656 ======================= Grid point 156 (49/242) ======================= q-point: ( 0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -4.331 -3.075 0.509) 5.336 1.092 ( -1.868 0.662 -2.737) 3.379 1.213 ( 1.378 -3.333 -0.320) 3.621 1.302 ( 2.557 -2.416 0.477) 3.550 1.447 ( 0.626 -0.467 -0.220) 0.811 1.536 ( 5.172 -2.115 -0.416) 5.604 1.693 ( -1.349 -0.524 -1.286) 1.936 1.701 ( 0.229 -0.488 -0.004) 0.539 1.790 ( 0.882 -2.623 0.567) 2.825 1.832 ( -1.506 -0.783 -1.478) 2.250 1.877 ( -1.043 -1.708 0.678) 2.113 1.952 ( 0.172 -1.100 0.107) 1.119 1.968 ( -2.835 -0.434 -0.340) 2.888 2.071 ( -0.774 5.488 -0.969) 5.626 2.206 ( -1.791 -1.404 2.163) 3.140 2.278 ( 8.163 0.678 0.297) 8.196 2.409 ( -1.289 -0.904 -1.296) 2.039 2.493 ( 3.911 3.661 0.380) 5.370 2.643 ( -2.101 -0.444 -0.729) 2.267 2.771 ( -1.246 0.017 2.901) 3.157 3.011 ( -0.275 -2.852 -0.639) 2.936 3.110 ( -1.180 -2.355 0.112) 2.636 3.130 ( 0.468 -0.570 -0.206) 0.766 3.191 ( 1.571 1.397 0.100) 2.105 5.635 ( -0.462 -6.123 0.398) 6.153 5.814 ( -0.902 1.552 -1.518) 2.350 6.425 ( -4.067 -3.716 0.782) 5.564 6.714 ( -0.215 -7.699 -2.654) 8.146 6.991 ( 3.180 -5.650 0.386) 6.495 7.106 ( -0.075 -7.473 -0.214) 7.476 7.173 ( 0.630 -5.979 0.973) 6.090 7.307 ( -0.387 -1.118 -0.840) 1.452 7.432 ( 2.537 -1.281 0.331) 2.862 7.559 ( 0.259 -3.163 0.362) 3.194 8.031 ( -1.312 -1.352 -0.315) 1.910 8.139 ( -0.655 3.422 0.142) 3.487 ======================= Grid point 157 (50/242) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.968 0.164 1.019) 1.415 1.081 ( -2.305 -2.413 -0.972) 3.476 1.255 ( 0.346 -0.521 -1.046) 1.219 1.341 ( 0.970 0.062 0.029) 0.972 1.458 ( 0.636 -0.386 0.373) 0.832 1.583 ( 0.217 -0.294 -0.306) 0.477 1.684 ( -0.690 -0.076 -0.640) 0.944 1.718 ( -0.335 -0.853 2.314) 2.489 1.813 ( 0.661 -0.048 0.342) 0.746 1.844 ( 0.340 0.446 -1.355) 1.466 1.875 ( -0.556 0.930 -0.191) 1.100 1.949 ( 0.266 0.681 -2.181) 2.300 1.978 ( 0.032 1.347 0.078) 1.349 2.033 ( 0.599 -4.109 0.997) 4.271 2.241 ( -5.724 -2.998 0.632) 6.492 2.263 ( 2.781 3.970 1.029) 4.956 2.411 ( 4.352 0.243 -1.735) 4.691 2.460 ( -0.451 0.765 0.533) 1.035 2.635 ( -2.696 -0.533 -2.035) 3.420 2.763 ( 0.984 1.674 3.141) 3.693 3.040 ( -0.370 -0.282 -0.777) 0.906 3.126 ( -0.217 -0.030 -0.156) 0.269 3.150 ( 0.382 0.285 0.188) 0.512 3.181 ( -0.198 -0.932 0.735) 1.203 5.746 ( -0.258 -0.324 -0.403) 0.578 5.753 ( 0.342 -0.594 -0.057) 0.688 6.468 ( -0.462 -1.302 2.233) 2.626 6.792 ( 0.469 -0.851 -2.096) 2.310 7.065 ( -0.673 -0.818 1.217) 1.614 7.178 ( -0.198 0.256 0.101) 0.339 7.264 ( -0.356 1.594 -0.690) 1.773 7.284 ( 1.327 -1.040 -0.390) 1.730 7.453 ( -0.249 0.020 0.279) 0.375 7.592 ( -0.097 0.126 0.188) 0.246 8.069 ( -0.150 -2.700 -0.179) 2.710 8.076 ( 0.186 2.626 0.089) 2.634 ======================= Grid point 158 (51/242) ======================= q-point: (-0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 4.758 1.130 1.112) 5.015 1.148 ( -2.973 -4.413 -1.396) 5.501 1.237 ( -1.789 1.601 1.280) 2.721 1.305 ( 0.446 3.725 0.326) 3.766 1.470 ( 0.537 -0.381 0.241) 0.701 1.546 ( -4.739 2.064 -0.942) 5.254 1.685 ( 0.808 0.354 -0.254) 0.918 1.727 ( -1.093 0.606 -0.319) 1.290 1.784 ( 2.904 1.586 0.869) 3.421 1.837 ( 0.915 0.862 0.259) 1.284 1.875 ( 1.520 0.400 -0.268) 1.595 1.939 ( 1.107 0.359 -1.036) 1.558 1.962 ( -0.062 0.920 0.265) 0.959 2.103 ( -3.073 -2.471 -1.099) 4.094 2.195 ( 1.660 2.493 2.000) 3.602 2.259 ( -4.603 -0.919 -0.321) 4.705 2.413 ( 1.934 1.962 -1.285) 3.040 2.467 ( -2.827 -2.535 0.267) 3.806 2.631 ( -1.719 -0.721 -1.195) 2.214 2.743 ( 3.216 1.361 2.024) 4.036 3.014 ( -0.019 2.604 -0.623) 2.677 3.109 ( 0.802 1.858 0.076) 2.025 3.143 ( -0.719 -0.200 0.310) 0.808 3.207 ( -1.459 -1.366 0.534) 2.069 5.646 ( -0.390 5.846 0.843) 5.919 5.836 ( 1.848 -2.797 -0.983) 3.494 6.472 ( 2.865 2.358 2.440) 4.441 6.744 ( 0.969 5.655 -2.089) 6.106 7.014 ( -5.136 4.913 1.216) 7.211 7.100 ( -0.080 7.312 -0.548) 7.333 7.156 ( 0.694 6.680 0.584) 6.741 7.306 ( 1.049 1.648 -0.995) 2.192 7.433 ( -2.593 1.061 0.404) 2.830 7.550 ( -0.664 3.843 0.156) 3.903 8.035 ( 1.487 1.615 -0.209) 2.206 8.137 ( 0.565 -3.717 0.099) 3.761 ======================= Grid point 159 (52/242) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 5.208 -1.673 0.859) 5.537 1.097 ( -7.203 5.718 1.813) 9.374 1.213 ( 1.773 6.824 0.321) 7.058 1.253 ( -0.372 -2.128 0.315) 2.183 1.440 ( -2.636 3.636 -1.733) 4.814 1.512 ( -4.200 -3.098 -0.185) 5.222 1.644 ( 2.766 4.084 -0.726) 4.985 1.730 ( -0.450 -1.598 -1.134) 2.011 1.776 ( -0.834 2.775 0.580) 2.955 1.806 ( 3.131 1.359 0.026) 3.413 1.857 ( 1.117 2.320 -0.699) 2.668 1.931 ( -0.237 0.987 -0.422) 1.099 1.952 ( -0.302 -0.612 0.502) 0.847 2.077 ( -4.606 3.646 -2.440) 6.361 2.162 ( 1.435 2.040 1.217) 2.775 2.266 ( -0.322 1.140 2.182) 2.483 2.342 ( -3.834 0.968 -0.007) 3.954 2.523 ( -1.619 -3.658 -1.115) 4.153 2.647 ( -0.854 -1.527 -0.293) 1.774 2.758 ( 3.772 -0.243 1.039) 3.920 2.946 ( 0.441 3.784 -0.311) 3.822 3.070 ( 0.472 2.448 0.022) 2.493 3.147 ( -0.473 -0.288 0.181) 0.582 3.216 ( -2.167 -0.345 0.251) 2.209 5.524 ( 0.174 6.658 1.482) 6.823 5.869 ( 2.026 0.253 -1.752) 2.691 6.401 ( 4.867 7.927 1.142) 9.371 6.567 ( 2.975 12.933 -2.835) 13.570 6.826 ( -4.244 11.265 0.595) 12.053 6.920 ( -1.146 9.702 -0.951) 9.816 7.023 ( -1.276 6.946 2.843) 7.613 7.221 ( -1.001 6.375 -1.753) 6.687 7.391 ( -2.384 2.179 0.959) 3.369 7.451 ( -2.193 4.635 0.027) 5.127 8.029 ( 2.265 0.018 -0.597) 2.342 8.215 ( 0.811 -3.671 0.320) 3.773 ======================= Grid point 160 (53/242) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -4.016 6.769 3.092) 8.456 0.992 ( 1.341 3.989 2.131) 4.717 1.037 ( -5.150 5.201 -0.548) 7.340 1.262 ( 2.167 1.355 -0.257) 2.569 1.361 ( -1.799 2.476 -2.108) 3.716 1.566 ( -0.695 2.179 -1.967) 3.017 1.581 ( 0.019 -2.371 -0.350) 2.397 1.693 ( 0.208 4.962 0.587) 5.001 1.741 ( -2.354 10.510 -2.528) 11.063 1.767 ( -0.402 -1.659 -0.361) 1.744 1.795 ( -0.243 1.000 0.369) 1.094 1.885 ( -1.301 8.290 2.511) 8.759 1.926 ( -1.078 -0.090 -1.331) 1.715 1.991 ( -0.612 -0.654 -2.436) 2.595 2.129 ( 1.021 1.441 4.007) 4.379 2.209 ( -0.168 1.784 0.428) 1.842 2.403 ( -2.168 -5.347 -0.153) 5.772 2.560 ( 0.893 0.106 -0.830) 1.224 2.647 ( -2.537 1.176 -0.715) 2.886 2.789 ( 2.627 -0.982 1.168) 3.038 2.895 ( 1.440 1.178 -0.070) 1.862 3.012 ( 0.225 3.910 -0.354) 3.932 3.150 ( -0.606 -0.464 0.052) 0.765 3.202 ( -2.058 0.473 0.132) 2.116 5.399 ( 0.465 6.335 1.872) 6.622 5.845 ( 2.150 2.507 -2.401) 4.084 6.193 ( 4.278 16.071 0.113) 16.631 6.264 ( 6.220 18.747 -5.824) 20.592 6.561 ( -0.266 14.089 2.103) 14.248 6.723 ( -1.336 9.282 -0.729) 9.406 6.891 ( -6.386 4.841 3.782) 8.861 7.060 ( -1.575 7.915 -2.585) 8.474 7.317 ( 1.023 4.553 1.911) 5.042 7.383 ( -5.679 0.301 -0.171) 5.689 8.052 ( 2.320 -1.183 -0.996) 2.788 8.287 ( 0.637 -3.159 0.489) 3.260 ======================= Grid point 161 (54/242) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -8.031 10.242 6.466) 14.533 0.725 ( -6.682 14.107 2.684) 15.839 1.114 ( 0.493 -1.997 -1.304) 2.435 1.234 ( 4.124 4.761 0.874) 6.359 1.285 ( -2.882 3.426 -0.345) 4.490 1.438 ( -1.215 11.125 1.435) 11.283 1.506 ( 1.997 2.718 -3.654) 4.972 1.562 ( 1.380 9.970 2.198) 10.302 1.623 ( -1.635 -0.001 -2.749) 3.199 1.705 ( -1.483 7.232 -1.113) 7.465 1.764 ( -2.469 0.759 1.039) 2.784 1.817 ( -2.038 -2.855 1.397) 3.776 1.956 ( 0.563 -2.648 -0.738) 2.806 2.008 ( -1.224 -1.456 -0.668) 2.016 2.158 ( 0.885 -1.685 2.393) 3.058 2.181 ( 0.195 0.954 -1.358) 1.671 2.460 ( -1.270 0.984 -1.048) 1.919 2.529 ( 3.006 2.320 -0.077) 3.799 2.600 ( -2.543 0.090 -0.133) 2.548 2.829 ( 4.132 1.114 1.555) 4.554 2.862 ( -2.029 3.735 -1.160) 4.406 2.956 ( 0.554 -1.157 0.264) 1.309 3.160 ( 0.217 0.214 0.372) 0.481 3.183 ( -2.086 -0.274 -0.059) 2.104 5.298 ( 0.588 4.707 1.605) 5.007 5.792 ( 5.346 5.199 -3.208) 8.118 5.849 ( 0.003 19.053 -2.630) 19.234 5.894 ( 9.508 18.552 -7.013) 21.995 6.297 ( 4.512 14.268 4.900) 15.746 6.533 ( -1.457 9.161 -0.079) 9.276 6.796 ( -11.892 0.518 4.175) 12.614 6.917 ( 0.509 5.025 -2.870) 5.809 7.258 ( 1.395 2.461 2.193) 3.580 7.362 ( -5.716 -1.107 0.040) 5.823 8.089 ( 1.861 -1.621 -1.293) 2.786 8.347 ( 0.306 -2.435 0.603) 2.527 ======================= Grid point 162 (55/242) ======================= q-point: (-0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -2.545 10.669 7.898) 13.516 0.460 ( -13.104 7.715 12.016) 19.381 0.813 ( 0.891 23.020 15.021) 27.502 1.239 ( 3.244 -1.438 -2.365) 4.264 1.288 ( 1.781 5.158 -0.335) 5.467 1.333 ( -0.048 0.474 -1.512) 1.585 1.406 ( -0.757 1.310 1.531) 2.152 1.481 ( 1.977 0.081 -3.981) 4.445 1.575 ( -0.645 4.059 -3.852) 5.633 1.599 ( -1.810 1.715 -0.520) 2.547 1.718 ( -1.600 2.570 2.232) 3.761 1.893 ( -2.485 -5.045 1.833) 5.915 1.993 ( -0.374 0.991 0.210) 1.079 2.007 ( -1.836 -0.735 -0.964) 2.200 2.141 ( 0.738 4.753 2.079) 5.240 2.214 ( 0.184 -4.550 -2.748) 5.318 2.410 ( 1.735 -0.657 -1.816) 2.596 2.520 ( 0.823 -0.681 0.866) 1.375 2.625 ( 0.810 2.712 0.263) 2.843 2.659 ( -1.293 5.540 0.055) 5.689 2.920 ( 0.430 -4.402 1.052) 4.546 3.003 ( 0.337 -2.067 0.741) 2.221 3.119 ( 0.705 3.532 0.823) 3.695 3.204 ( -1.569 -1.812 -0.264) 2.412 5.118 ( 1.829 22.960 -14.532) 27.233 5.430 ( 0.797 16.126 -4.427) 16.742 5.664 ( 15.086 2.835 0.696) 15.366 5.807 ( 1.257 -0.204 -0.722) 1.464 6.088 ( 13.462 12.502 7.625) 19.891 6.360 ( -0.636 7.179 -0.413) 7.219 6.774 ( -23.457 -6.923 4.568) 24.880 6.864 ( 3.215 0.965 -2.009) 3.912 7.240 ( 1.682 0.630 2.784) 3.313 7.362 ( -3.821 -1.276 0.103) 4.030 8.124 ( 1.199 -1.203 -1.460) 2.240 8.387 ( -0.080 -1.389 0.668) 1.543 ======================= Grid point 164 (56/242) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 8.363 0.000 12.612) 15.133 0.499 ( 9.299 0.000 14.879) 17.545 0.814 ( 13.504 0.000 23.286) 26.918 1.229 ( 1.315 0.000 1.920) 2.327 1.277 ( -2.350 -0.000 -0.602) 2.426 1.279 ( -3.958 -0.000 -1.396) 4.197 1.439 ( -1.179 -0.000 -6.271) 6.380 1.454 ( 4.666 0.000 1.518) 4.907 1.525 ( 2.930 0.000 -1.682) 3.378 1.533 ( -2.428 -0.000 -3.350) 4.137 1.707 ( -0.254 -0.000 5.804) 5.810 1.939 ( -1.309 -0.000 -1.573) 2.047 1.954 ( 0.637 0.000 -1.062) 1.238 2.071 ( 3.441 0.000 0.328) 3.457 2.074 ( 3.160 0.000 4.196) 5.253 2.248 ( -2.986 -0.000 -6.013) 6.713 2.470 ( -0.083 -0.000 -6.044) 6.045 2.484 ( -0.549 -0.000 0.228) 0.595 2.540 ( -4.248 -0.000 1.814) 4.619 2.711 ( -2.935 -0.000 0.394) 2.961 2.972 ( -2.255 -0.000 0.986) 2.461 3.042 ( -0.107 -0.000 -0.104) 0.149 3.070 ( -0.050 -0.000 1.866) 1.867 3.239 ( 2.042 0.000 0.229) 2.055 4.383 ( 2.658 0.000 0.671) 2.741 5.303 ( -1.175 -0.000 1.024) 1.559 5.801 ( -1.658 -0.000 0.114) 1.662 5.816 ( -2.558 -0.000 0.414) 2.591 6.063 ( -26.406 -0.000 10.851) 28.548 6.284 ( 2.165 0.000 -0.565) 2.237 6.624 ( 12.951 0.000 -4.221) 13.622 6.933 ( 6.021 0.000 0.912) 6.090 7.365 ( 4.157 0.000 -1.955) 4.594 7.410 ( 4.733 0.000 -0.548) 4.765 8.138 ( 0.430 0.000 -1.610) 1.667 8.396 ( -1.185 -0.000 0.729) 1.392 ======================= Grid point 165 (57/242) ======================= q-point: ( 0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 10.702 -4.442 8.674) 14.474 0.570 ( 6.652 -1.230 13.696) 15.275 1.091 ( 8.829 -8.872 5.759) 13.778 1.219 ( -4.884 4.223 -2.268) 6.843 1.264 ( 2.199 -4.329 2.442) 5.435 1.359 ( 1.223 -9.155 2.453) 9.557 1.415 ( -0.411 -1.372 -0.417) 1.492 1.496 ( 3.557 -2.273 -4.737) 6.345 1.550 ( 2.419 -2.017 -4.100) 5.171 1.583 ( -0.228 -4.405 3.210) 5.455 1.727 ( -0.644 -0.885 4.242) 4.381 1.887 ( 0.935 4.074 -1.202) 4.350 1.966 ( 0.213 -0.764 -1.418) 1.624 2.024 ( 2.363 2.485 0.178) 3.434 2.168 ( -1.908 1.503 -3.454) 4.223 2.218 ( 3.849 -4.161 2.560) 6.219 2.430 ( 1.673 -0.870 -2.934) 3.488 2.517 ( -1.379 -0.064 0.255) 1.404 2.603 ( -2.905 -9.214 -0.970) 9.710 2.655 ( 0.852 2.878 1.087) 3.192 2.920 ( -1.958 2.178 1.032) 3.105 3.004 ( -0.126 3.126 0.570) 3.180 3.131 ( -0.488 -3.136 0.897) 3.298 3.207 ( 2.356 2.377 -0.055) 3.347 4.937 ( -5.360 -33.282 -9.159) 34.933 5.371 ( -3.837 -6.816 1.339) 7.935 5.724 ( -4.087 -2.056 0.924) 4.668 5.787 ( -2.293 0.754 -0.516) 2.468 6.121 ( -12.743 -10.873 7.120) 18.202 6.383 ( 0.913 -7.242 0.492) 7.316 6.684 ( 10.873 -0.804 -3.985) 11.608 6.972 ( 6.058 -0.692 1.187) 6.211 7.333 ( 4.187 5.242 2.116) 7.034 7.382 ( 4.032 0.407 -0.564) 4.092 8.121 ( -0.299 1.295 -1.489) 1.996 8.376 ( -1.591 1.406 0.734) 2.246 ======================= Grid point 166 (58/242) ======================= q-point: ( 0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 3.693 -4.893 3.699) 7.160 0.712 ( 6.153 -6.204 6.699) 11.010 1.067 ( -1.146 4.857 -3.946) 6.362 1.187 ( -1.492 -2.099 -1.157) 2.823 1.329 ( 1.928 -0.036 -0.212) 1.940 1.500 ( -0.472 -4.185 -3.984) 5.797 1.577 ( 2.732 -2.404 -4.357) 5.677 1.629 ( 2.065 -9.792 -1.755) 10.160 1.671 ( 4.733 -9.733 6.778) 12.770 1.688 ( 0.434 -6.328 4.408) 7.724 1.738 ( 1.197 -1.785 2.928) 3.632 1.810 ( 1.297 3.379 -0.469) 3.650 1.948 ( 0.400 1.879 -2.382) 3.060 2.004 ( 2.033 0.260 0.008) 2.049 2.154 ( 0.678 -0.521 -1.241) 1.506 2.293 ( 2.860 -1.201 3.093) 4.380 2.472 ( -0.970 0.821 -0.298) 1.305 2.525 ( 0.718 -2.579 -1.435) 3.037 2.631 ( 2.431 -0.055 0.004) 2.431 2.731 ( -4.490 -5.178 -0.049) 6.854 2.919 ( -2.104 2.177 -0.161) 3.032 2.927 ( 0.253 -0.989 0.326) 1.071 3.162 ( 1.729 1.095 0.335) 2.073 3.192 ( 1.145 -0.623 -0.131) 1.310 5.307 ( -1.231 -7.060 1.631) 7.350 5.599 ( -6.834 -19.090 -5.516) 21.014 5.794 ( -4.558 -6.880 -1.753) 8.437 5.911 ( -2.068 -14.424 -1.975) 14.705 6.318 ( -7.093 -12.885 3.659) 15.157 6.541 ( 0.776 -8.067 0.239) 8.107 6.770 ( 7.709 -3.853 -1.496) 8.747 7.039 ( 5.626 -2.955 0.357) 6.365 7.305 ( 3.474 0.246 3.014) 4.606 7.401 ( 4.386 -0.202 -0.635) 4.436 8.082 ( -1.336 1.864 -1.226) 2.600 8.330 ( -1.880 2.391 0.616) 3.104 ======================= Grid point 167 (59/242) ======================= q-point: ( 0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -4.708 0.900 -2.137) 5.248 0.879 ( 1.527 -7.722 1.635) 8.039 1.052 ( 3.967 -2.810 -0.068) 4.862 1.235 ( -0.887 -3.283 0.530) 3.441 1.360 ( 3.049 -2.285 -1.222) 4.001 1.566 ( -0.940 -4.038 -4.160) 5.873 1.607 ( 5.325 0.966 -2.203) 5.843 1.661 ( -0.656 2.198 1.048) 2.522 1.739 ( 0.021 0.108 -1.234) 1.239 1.788 ( 1.600 -3.656 0.472) 4.019 1.810 ( 0.013 -4.841 1.358) 5.028 1.898 ( 1.371 2.169 -1.492) 2.968 1.955 ( -0.226 -3.186 1.147) 3.393 2.072 ( 0.433 -7.225 1.497) 7.391 2.189 ( 5.471 -2.157 1.211) 6.005 2.297 ( 0.190 2.301 3.466) 4.164 2.416 ( -0.416 2.875 0.180) 2.911 2.573 ( 1.848 -1.287 -1.188) 2.547 2.657 ( 2.728 -0.323 -0.943) 2.904 2.775 ( -3.837 0.612 1.419) 4.136 2.854 ( -1.483 -1.951 -0.647) 2.534 3.000 ( -1.533 -3.708 -0.445) 4.037 3.141 ( 2.045 1.461 -0.274) 2.528 3.215 ( 1.580 -0.520 0.047) 1.664 5.403 ( -1.596 -4.866 2.106) 5.537 5.757 ( -1.728 -4.177 -3.072) 5.465 6.104 ( -5.045 -21.744 -3.197) 22.550 6.152 ( -6.051 -11.369 -2.497) 13.119 6.576 ( -1.620 -15.019 1.561) 15.187 6.714 ( 1.495 -9.042 -0.584) 9.183 6.907 ( 4.882 -6.324 1.023) 8.054 7.144 ( 3.826 -4.851 -0.636) 6.211 7.359 ( 4.265 -2.529 2.122) 5.393 7.434 ( 3.269 -1.289 -0.271) 3.525 8.035 ( -2.294 1.415 -0.906) 2.844 8.268 ( -1.912 2.943 0.449) 3.538 ======================= Grid point 168 (60/242) ======================= q-point: ( 0.42 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -5.725 -1.694 -1.008) 6.055 1.015 ( -1.976 -5.616 -1.677) 6.186 1.145 ( 2.244 -4.069 -0.138) 4.649 1.295 ( 2.751 -1.827 1.394) 3.584 1.431 ( 3.317 -2.352 -0.456) 4.091 1.567 ( 5.735 2.944 0.071) 6.447 1.632 ( -1.416 -3.846 -2.832) 4.981 1.681 ( -0.810 -2.313 -1.872) 3.084 1.741 ( 1.215 -1.403 0.314) 1.882 1.839 ( 0.526 1.555 0.005) 1.642 1.850 ( 1.164 -1.339 0.553) 1.858 1.907 ( -0.646 -2.902 0.036) 2.973 1.954 ( -3.474 0.545 -0.181) 3.521 2.125 ( -3.823 0.790 0.150) 3.907 2.236 ( 1.111 3.406 1.971) 4.089 2.313 ( 7.119 -3.371 0.474) 7.891 2.386 ( 1.200 0.447 -0.027) 1.281 2.579 ( 3.021 2.006 -0.216) 3.632 2.643 ( -0.777 1.926 -0.351) 2.106 2.749 ( -2.419 -1.277 1.721) 3.232 2.931 ( -1.060 -4.520 -0.573) 4.678 3.053 ( -1.549 -2.851 -0.005) 3.244 3.131 ( 1.357 0.417 -0.323) 1.457 3.224 ( 1.933 0.668 0.066) 2.046 5.507 ( -1.484 -6.200 1.103) 6.469 5.805 ( -0.615 -1.634 -2.106) 2.736 6.290 ( -5.971 -7.295 -0.342) 9.433 6.463 ( -2.620 -16.479 -2.852) 16.928 6.858 ( 3.643 -11.187 0.135) 11.766 6.909 ( -0.266 -10.711 -0.388) 10.721 7.057 ( 2.240 -6.373 1.920) 7.023 7.250 ( 1.472 -4.146 -0.998) 4.512 7.430 ( 4.782 -1.306 0.860) 5.031 7.492 ( 1.248 -3.440 0.101) 3.661 8.006 ( -2.508 -0.052 -0.632) 2.587 8.199 ( -1.593 3.163 0.330) 3.557 ======================= Grid point 169 (61/242) ======================= q-point: ( 0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -3.089 -5.145 0.787) 6.053 1.054 ( -2.663 -0.282 -1.913) 3.291 1.222 ( 0.800 -2.826 -1.098) 3.136 1.341 ( 3.760 -0.735 1.159) 4.003 1.460 ( 1.513 -0.006 0.326) 1.548 1.586 ( 4.490 -0.830 -0.527) 4.597 1.669 ( -1.690 -1.054 -1.240) 2.346 1.707 ( 0.750 -0.751 0.094) 1.065 1.805 ( 0.001 -3.289 0.147) 3.293 1.814 ( -0.032 0.261 -0.097) 0.280 1.874 ( -0.044 -0.298 0.586) 0.659 1.940 ( -1.514 -1.367 -1.273) 2.405 1.950 ( -0.985 -2.205 0.602) 2.488 2.053 ( -1.730 3.692 -0.578) 4.118 2.195 ( -1.857 0.703 1.943) 2.778 2.342 ( 1.855 3.274 -0.231) 3.771 2.414 ( 5.006 -2.037 -1.373) 5.576 2.533 ( 3.367 4.200 0.275) 5.390 2.608 ( -3.535 0.095 -0.549) 3.579 2.778 ( -0.193 -1.070 2.290) 2.535 2.996 ( -1.856 -2.886 -0.719) 3.506 3.098 ( -1.065 -2.273 0.032) 2.510 3.139 ( 0.971 -0.723 0.186) 1.225 3.209 ( 1.651 1.733 0.199) 2.401 5.632 ( -0.451 -6.673 0.381) 6.699 5.799 ( -0.860 1.439 -1.111) 2.011 6.394 ( -2.696 -5.548 1.401) 6.326 6.697 ( -0.865 -8.593 -2.084) 8.884 7.024 ( 2.543 -4.299 0.090) 4.996 7.105 ( 0.042 -7.631 0.346) 7.639 7.188 ( 1.243 -5.816 0.721) 5.991 7.299 ( -0.210 -0.488 -0.854) 1.006 7.461 ( 2.447 0.179 0.416) 2.488 7.565 ( 0.647 -2.835 0.094) 2.910 8.014 ( -1.573 -2.064 -0.455) 2.635 8.132 ( -0.880 2.950 0.279) 3.091 ======================= Grid point 170 (62/242) ======================= q-point: (-0.42 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 2.719 -2.694 1.324) 4.050 1.035 ( -4.749 -1.707 -1.500) 5.265 1.253 ( 0.090 -0.141 -0.927) 0.942 1.358 ( 1.796 0.921 0.269) 2.036 1.465 ( -0.023 0.001 0.339) 0.340 1.583 ( 0.285 2.798 -0.581) 2.872 1.678 ( -0.309 -0.721 0.256) 0.825 1.723 ( -0.012 -0.734 1.014) 1.252 1.825 ( 1.076 -1.451 0.353) 1.841 1.848 ( 1.124 0.986 -0.135) 1.501 1.875 ( 0.696 -0.859 -0.165) 1.118 1.938 ( -0.084 -0.050 -3.007) 3.009 1.979 ( 0.012 0.598 0.063) 0.602 2.043 ( 0.292 -2.982 1.194) 3.225 2.176 ( -7.070 0.252 1.072) 7.156 2.284 ( 1.189 1.476 0.043) 1.896 2.443 ( 1.285 2.978 -1.192) 3.456 2.478 ( 4.346 1.231 0.499) 4.545 2.597 ( -2.672 -0.869 -1.415) 3.146 2.789 ( 1.395 0.674 2.587) 3.015 3.019 ( -2.559 -0.797 -0.783) 2.792 3.125 ( 0.136 -0.804 -0.213) 0.842 3.160 ( 0.918 0.306 0.249) 1.000 3.182 ( -0.145 0.594 0.640) 0.885 5.737 ( -0.822 2.941 -0.265) 3.065 5.759 ( 0.659 -4.749 -0.187) 4.798 6.478 ( 0.346 -2.900 2.299) 3.717 6.784 ( -0.175 -1.186 -2.108) 2.425 7.056 ( -1.821 1.207 1.075) 2.435 7.185 ( 1.324 0.152 0.169) 1.343 7.254 ( -0.619 3.271 -0.696) 3.401 7.298 ( 1.429 -2.875 -0.344) 3.229 7.451 ( -0.326 1.483 0.220) 1.534 7.594 ( 0.149 0.408 0.224) 0.488 8.065 ( -0.303 -3.461 -0.245) 3.483 8.078 ( 0.093 2.164 0.152) 2.172 ======================= Grid point 171 (63/242) ======================= q-point: (-0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 5.707 1.074 1.003) 5.893 1.090 ( -5.553 -5.447 -2.093) 8.055 1.214 ( -3.001 2.976 1.564) 4.507 1.331 ( 3.544 2.888 -0.133) 4.574 1.464 ( -2.733 -0.389 -0.051) 2.761 1.496 ( -2.659 4.278 -1.518) 5.261 1.697 ( 0.103 -0.915 1.267) 1.566 1.719 ( 0.955 1.267 -2.091) 2.625 1.825 ( 3.937 1.899 1.818) 4.735 1.859 ( 2.781 0.894 0.455) 2.956 1.881 ( 0.322 0.442 -1.441) 1.541 1.938 ( -0.292 -0.149 -1.847) 1.876 1.968 ( 0.390 1.717 0.685) 1.889 2.054 ( -4.068 -0.488 -1.194) 4.268 2.166 ( -6.028 -3.768 1.520) 7.269 2.275 ( 4.311 3.713 1.091) 5.793 2.399 ( -2.675 -0.596 -1.966) 3.373 2.462 ( 0.720 1.967 0.937) 2.295 2.610 ( -1.121 -1.667 -0.396) 2.048 2.790 ( 3.788 0.798 1.793) 4.266 2.996 ( -2.382 1.530 -0.578) 2.889 3.120 ( 1.034 2.409 0.019) 2.622 3.142 ( 0.332 -0.151 0.011) 0.365 3.193 ( -1.719 -0.903 0.368) 1.976 5.645 ( -0.525 5.329 0.785) 5.412 5.848 ( 1.316 -2.946 -1.404) 3.519 6.510 ( 2.124 1.174 1.872) 3.065 6.738 ( 0.172 5.108 -2.804) 5.829 6.970 ( -4.046 6.048 1.019) 7.347 7.098 ( 0.397 8.172 -0.968) 8.239 7.166 ( 0.346 5.769 1.261) 5.916 7.312 ( 0.883 2.706 -1.061) 3.038 7.410 ( -1.901 1.658 0.245) 2.534 7.547 ( -0.288 4.244 0.478) 4.280 8.047 ( 0.816 1.058 -0.111) 1.340 8.142 ( 0.412 -4.032 -0.013) 4.053 ======================= Grid point 172 (64/242) ======================= q-point: (-0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 4.345 -1.296 -0.035) 4.534 1.030 ( -6.512 6.925 1.780) 9.671 1.202 ( -1.769 2.143 -0.174) 2.785 1.273 ( 2.354 2.701 -0.766) 3.664 1.388 ( -4.618 2.219 -2.565) 5.729 1.480 ( -1.692 -1.959 -0.590) 2.655 1.681 ( 3.527 4.070 -0.505) 5.410 1.716 ( -0.536 -1.596 -1.988) 2.605 1.773 ( -0.812 4.254 0.134) 4.332 1.833 ( 1.872 1.818 0.270) 2.623 1.872 ( 3.289 2.528 -0.405) 4.168 1.916 ( -1.671 0.881 -0.791) 2.048 1.938 ( -2.696 0.299 0.225) 2.722 2.046 ( 0.166 1.830 -0.399) 1.880 2.181 ( 0.328 3.689 1.864) 4.146 2.264 ( -1.717 -5.397 0.646) 5.700 2.316 ( -1.030 6.340 1.872) 6.691 2.506 ( -0.657 -4.512 -0.986) 4.665 2.636 ( -0.724 -1.062 -0.261) 1.311 2.804 ( 3.510 0.398 1.136) 3.710 2.941 ( -0.998 2.655 -0.315) 2.854 3.071 ( -0.062 2.576 -0.059) 2.578 3.149 ( 0.736 0.031 -0.288) 0.791 3.193 ( -2.178 -0.217 0.120) 2.192 5.530 ( -0.268 6.256 1.499) 6.439 5.876 ( 1.158 0.236 -2.599) 2.855 6.446 ( 2.652 7.517 0.551) 7.990 6.573 ( 1.256 11.356 -4.312) 12.212 6.789 ( -3.078 10.117 0.752) 10.601 6.911 ( 0.330 10.150 -1.065) 10.211 7.021 ( -1.714 8.728 2.966) 9.376 7.206 ( -0.179 7.247 -1.487) 7.400 7.369 ( -2.107 1.486 0.121) 2.581 7.442 ( -0.235 5.898 1.126) 6.009 8.045 ( 1.248 -0.303 -0.525) 1.387 8.222 ( 0.330 -3.776 0.233) 3.798 ======================= Grid point 173 (65/242) ======================= q-point: (-0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -3.936 10.407 5.072) 12.228 0.970 ( -5.805 5.545 -3.152) 8.624 1.016 ( 1.786 2.377 -0.188) 2.980 1.273 ( 0.257 0.694 -1.068) 1.299 1.338 ( -0.603 1.742 -1.742) 2.537 1.531 ( -1.203 -2.842 -2.751) 4.134 1.605 ( 1.632 2.917 -2.075) 3.934 1.687 ( -1.197 4.919 1.467) 5.271 1.734 ( 2.524 4.808 -1.749) 5.705 1.770 ( 0.753 4.595 2.292) 5.190 1.796 ( -0.222 2.141 1.360) 2.546 1.853 ( -3.168 6.828 -1.634) 7.702 1.935 ( 0.521 -1.224 0.748) 1.526 1.984 ( 1.242 2.285 -0.816) 2.726 2.145 ( -0.704 0.029 1.968) 2.090 2.224 ( 1.487 2.889 2.463) 4.078 2.384 ( -0.934 -6.106 0.108) 6.178 2.566 ( 0.613 -1.074 -0.975) 1.574 2.624 ( -0.970 2.009 -0.668) 2.329 2.816 ( 1.293 -0.426 1.406) 1.957 2.902 ( 0.040 0.493 -0.351) 0.607 3.011 ( -0.066 4.020 -0.383) 4.038 3.146 ( -0.233 -0.035 -0.577) 0.623 3.185 ( -1.078 0.118 0.270) 1.118 5.410 ( -0.226 6.017 2.129) 6.387 5.847 ( 0.606 2.175 -3.380) 4.065 6.221 ( 1.139 16.456 -0.785) 16.514 6.286 ( 3.238 17.300 -6.870) 18.893 6.571 ( 0.190 11.156 2.482) 11.430 6.713 ( 0.335 9.710 -0.844) 9.752 6.843 ( -5.645 7.522 3.725) 10.115 7.047 ( 1.125 7.891 -1.785) 8.169 7.331 ( -3.650 2.011 -0.108) 4.169 7.344 ( 1.825 3.202 2.119) 4.252 8.066 ( 1.146 -1.259 -0.905) 1.928 8.293 ( -0.002 -3.196 0.409) 3.222 ======================= Grid point 174 (66/242) ======================= q-point: (-0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -3.926 9.698 9.463) 14.107 0.667 ( -4.306 14.916 0.176) 15.526 1.118 ( 1.003 -3.473 -2.454) 4.370 1.242 ( -2.927 1.121 -1.294) 3.391 1.286 ( 2.549 4.394 1.426) 5.276 1.464 ( 3.902 12.397 3.011) 13.341 1.507 ( 1.865 3.726 -2.901) 5.077 1.593 ( 1.661 10.282 2.900) 10.811 1.602 ( -0.055 0.757 -2.821) 2.921 1.679 ( -1.378 5.744 -1.667) 6.137 1.744 ( -2.626 0.318 2.194) 3.437 1.809 ( -0.397 -2.259 0.537) 2.356 1.966 ( 1.505 -1.634 -0.200) 2.230 1.985 ( -1.929 -1.518 -1.546) 2.900 2.159 ( -0.250 -0.938 -0.555) 1.118 2.206 ( 2.837 1.137 2.066) 3.689 2.451 ( 0.846 0.986 -1.158) 1.740 2.551 ( 0.348 1.865 -0.726) 2.032 2.583 ( 0.164 -0.578 0.774) 0.980 2.827 ( -3.581 3.238 -0.562) 4.861 2.878 ( 3.588 2.406 1.139) 4.468 2.955 ( -0.794 -1.799 -0.068) 1.968 3.159 ( -0.952 -1.625 -0.546) 1.961 3.172 ( 0.385 1.327 0.589) 1.502 5.308 ( -0.166 5.072 1.869) 5.408 5.781 ( -2.508 8.863 -6.922) 11.522 5.844 ( 0.581 14.970 -1.477) 15.054 5.940 ( 4.310 16.498 -6.161) 18.131 6.367 ( 2.388 10.947 5.727) 12.583 6.530 ( 1.254 9.189 -0.354) 9.281 6.699 ( -8.044 4.081 3.310) 9.609 6.931 ( 3.832 4.403 -1.429) 6.009 7.272 ( -1.197 1.770 2.092) 2.990 7.334 ( 0.732 -0.222 0.377) 0.852 8.098 ( 0.794 -1.588 -1.193) 2.139 8.349 ( -0.395 -2.447 0.537) 2.536 ======================= Grid point 177 (67/242) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 11.958 0.000 9.341) 15.174 0.663 ( 9.796 0.000 12.745) 16.075 1.064 ( 16.334 0.000 15.865) 22.770 1.217 ( -3.256 -0.000 -2.515) 4.114 1.232 ( -3.876 -0.000 -0.662) 3.932 1.263 ( -0.663 -0.000 0.662) 0.937 1.411 ( 0.217 0.000 -3.379) 3.386 1.492 ( -2.240 -0.000 -3.463) 4.124 1.519 ( 3.830 0.000 5.027) 6.319 1.554 ( 5.911 0.000 -4.607) 7.494 1.729 ( -0.850 -0.000 5.979) 6.039 1.929 ( 0.841 0.000 -1.329) 1.573 1.951 ( 0.048 0.000 -2.028) 2.028 2.109 ( 3.209 0.000 -1.038) 3.373 2.129 ( 3.943 0.000 3.343) 5.169 2.189 ( -2.396 -0.000 -4.585) 5.174 2.430 ( -1.709 -0.000 -4.576) 4.885 2.474 ( -1.510 -0.000 0.055) 1.511 2.520 ( -1.845 -0.000 1.438) 2.339 2.696 ( -0.736 -0.000 0.743) 1.046 2.947 ( -3.419 -0.000 1.059) 3.579 3.040 ( -0.142 -0.000 -0.099) 0.173 3.076 ( -0.049 -0.000 1.234) 1.235 3.266 ( 2.855 0.000 0.302) 2.871 4.422 ( 3.976 0.000 0.623) 4.024 5.282 ( -3.414 -0.000 0.614) 3.469 5.748 ( -12.598 -0.000 5.506) 13.748 5.781 ( -1.968 -0.000 0.161) 1.975 5.908 ( -9.746 -0.000 6.583) 11.761 6.313 ( 3.594 0.000 -0.417) 3.619 6.722 ( 8.883 0.000 -6.573) 11.050 7.002 ( 5.450 0.000 2.523) 6.005 7.402 ( 5.212 0.000 -3.593) 6.330 7.452 ( 3.837 0.000 0.772) 3.914 8.130 ( -0.456 -0.000 -1.758) 1.816 8.382 ( -2.015 -0.000 0.900) 2.207 ======================= Grid point 178 (68/242) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 9.964 -2.673 7.866) 12.973 0.715 ( 9.977 1.506 10.798) 14.779 1.130 ( -0.272 2.534 -5.530) 6.089 1.174 ( -2.189 2.067 -0.489) 3.049 1.338 ( 5.421 -4.638 3.136) 7.793 1.357 ( -1.281 -8.335 -1.139) 8.509 1.424 ( 1.356 -5.685 3.252) 6.688 1.500 ( 1.864 -4.735 -2.528) 5.683 1.592 ( 4.570 -1.799 -0.724) 4.964 1.603 ( 3.593 -3.811 3.170) 6.122 1.737 ( -1.258 -0.258 4.016) 4.216 1.902 ( 3.167 3.513 -1.114) 4.859 1.958 ( -0.310 -0.588 -2.591) 2.675 2.059 ( 3.679 3.114 0.135) 4.822 2.129 ( -2.360 -0.246 -2.793) 3.665 2.273 ( 4.437 -3.843 2.205) 6.271 2.428 ( 0.193 -2.748 -2.321) 3.602 2.498 ( -2.453 0.270 0.324) 2.489 2.566 ( -3.318 -7.593 -0.793) 8.324 2.669 ( 1.151 1.807 0.337) 2.168 2.897 ( -2.928 1.333 0.640) 3.281 3.008 ( 0.364 3.600 0.426) 3.643 3.127 ( -0.740 -3.532 0.579) 3.655 3.240 ( 3.552 2.807 0.272) 4.535 4.860 ( -3.128 -31.258 -4.915) 31.797 5.336 ( -4.003 -5.795 1.360) 7.173 5.661 ( -9.018 -2.004 2.276) 9.514 5.766 ( -1.079 -0.613 -0.536) 1.352 6.038 ( -7.713 -11.753 4.011) 14.619 6.404 ( 2.527 -6.336 0.155) 6.823 6.754 ( 6.058 -1.119 -4.910) 7.878 7.041 ( 5.270 -0.654 2.506) 5.872 7.387 ( 5.519 4.193 -1.392) 7.069 7.434 ( 5.716 1.203 1.268) 5.977 8.107 ( -1.138 1.512 -1.586) 2.469 8.358 ( -2.390 1.416 0.920) 2.926 ======================= Grid point 179 (69/242) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.144 2.141 4.110) 6.217 0.798 ( 5.215 -2.985 4.086) 7.267 1.056 ( 2.303 1.441 -2.597) 3.758 1.168 ( -1.520 -2.203 -0.257) 2.688 1.349 ( 2.206 0.070 -0.482) 2.259 1.465 ( -2.768 -4.594 -2.856) 6.077 1.573 ( -0.192 -3.966 -3.931) 5.588 1.653 ( 3.121 -7.957 -1.953) 8.767 1.704 ( 2.463 -3.668 1.636) 4.711 1.722 ( 0.176 -0.260 2.709) 2.727 1.791 ( 3.906 -8.953 5.102) 11.020 1.844 ( 4.758 1.971 1.402) 5.338 1.942 ( 0.400 1.079 -2.726) 2.959 2.028 ( 2.568 1.764 -0.095) 3.117 2.161 ( 1.488 -3.144 -0.670) 3.542 2.332 ( 1.715 -0.180 2.808) 3.296 2.447 ( -3.071 1.183 -0.258) 3.301 2.524 ( -0.528 -3.397 -1.031) 3.589 2.651 ( 0.749 -1.605 -0.467) 1.832 2.697 ( -0.902 -4.897 -0.143) 4.982 2.895 ( -2.257 0.823 -0.157) 2.407 2.925 ( -0.488 1.302 -0.013) 1.390 3.182 ( 1.225 -1.219 0.672) 1.854 3.210 ( 2.614 1.498 -0.239) 3.022 5.301 ( -1.011 -9.036 1.215) 9.173 5.515 ( -5.063 -19.618 -3.400) 20.544 5.723 ( -7.174 -8.001 -1.535) 10.855 5.880 ( -2.283 -11.403 -1.386) 11.712 6.266 ( -5.138 -14.354 2.265) 15.413 6.559 ( 2.282 -7.886 -0.140) 8.210 6.825 ( 4.049 -4.285 -1.729) 6.144 7.100 ( 5.035 -2.205 1.224) 5.631 7.363 ( 5.472 0.704 1.217) 5.650 7.452 ( 5.616 0.396 -0.225) 5.634 8.057 ( -2.238 2.146 -1.262) 3.347 8.309 ( -2.551 2.321 0.754) 3.530 ======================= Grid point 180 (70/242) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -3.138 3.703 -1.117) 4.981 0.902 ( 1.671 -4.901 1.804) 5.484 1.093 ( 3.410 -2.393 -0.954) 4.274 1.240 ( 1.059 -4.584 2.318) 5.245 1.394 ( 3.992 -2.840 -0.395) 4.915 1.531 ( -2.697 -4.397 -2.629) 5.790 1.615 ( -0.901 -2.549 -2.661) 3.793 1.682 ( 2.009 4.031 0.824) 4.579 1.750 ( 3.915 0.896 -1.420) 4.260 1.807 ( 1.408 -5.378 -0.222) 5.564 1.830 ( 2.196 -2.162 2.569) 4.012 1.905 ( 1.485 2.615 -2.109) 3.673 1.947 ( -1.590 -0.291 0.550) 1.707 2.068 ( -1.698 -4.479 0.274) 4.798 2.257 ( 5.311 -4.567 1.631) 7.192 2.311 ( 0.115 2.735 2.344) 3.604 2.406 ( -1.156 0.877 -0.224) 1.468 2.579 ( -0.173 -2.689 -0.697) 2.783 2.682 ( 2.215 0.255 -1.013) 2.449 2.748 ( -1.710 1.914 1.269) 2.863 2.839 ( -0.928 -2.661 -0.566) 2.874 2.977 ( -2.161 -3.775 -0.447) 4.373 3.167 ( 2.739 2.203 0.162) 3.519 3.231 ( 1.328 -0.951 0.061) 1.635 5.395 ( -1.442 -4.414 1.745) 4.960 5.733 ( -0.639 -5.248 -1.967) 5.641 6.035 ( -4.992 -22.953 -3.512) 23.751 6.081 ( -5.812 -10.811 -0.452) 12.283 6.566 ( -1.419 -16.942 1.262) 17.048 6.737 ( 3.163 -8.761 -0.907) 9.358 6.950 ( 2.204 -6.276 1.202) 6.760 7.182 ( 3.562 -3.474 -0.258) 4.983 7.414 ( 4.625 -2.429 0.897) 5.300 7.475 ( 4.593 -0.042 -0.194) 4.598 8.002 ( -3.080 1.443 -0.940) 3.529 8.247 ( -2.328 2.735 0.553) 3.634 ======================= Grid point 181 (71/242) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -3.766 -2.109 0.077) 4.317 0.998 ( -0.501 -3.773 -0.039) 3.806 1.159 ( 0.826 -3.325 -0.866) 3.533 1.339 ( 4.165 -2.956 1.998) 5.484 1.467 ( 3.226 -1.313 0.092) 3.484 1.597 ( -1.982 -3.687 -2.077) 4.673 1.619 ( 2.430 1.958 0.438) 3.151 1.668 ( -0.036 -3.239 -1.449) 3.549 1.765 ( 3.224 -0.939 -0.006) 3.358 1.843 ( 0.725 2.483 -0.663) 2.670 1.877 ( 2.327 -0.843 0.804) 2.602 1.895 ( -2.123 -1.702 0.766) 2.827 1.921 ( -1.554 -0.003 -0.759) 1.729 2.079 ( -4.736 0.844 0.027) 4.811 2.245 ( -0.721 3.393 1.847) 3.930 2.382 ( 4.675 -2.792 -1.082) 5.552 2.405 ( 3.628 -0.046 -0.250) 3.637 2.596 ( 0.033 2.177 -0.422) 2.218 2.626 ( -1.944 1.853 0.445) 2.722 2.745 ( 0.161 -1.433 0.991) 1.749 2.915 ( -1.171 -4.150 -0.704) 4.369 3.036 ( -1.399 -3.308 0.115) 3.593 3.147 ( 1.630 0.946 0.247) 1.901 3.243 ( 1.519 0.574 0.138) 1.629 5.497 ( -1.233 -6.356 1.016) 6.554 5.794 ( -0.009 -1.465 -1.336) 1.983 6.235 ( -4.276 -8.776 0.446) 9.772 6.426 ( -2.184 -17.597 -1.647) 17.808 6.883 ( 0.356 -14.371 0.774) 14.396 6.920 ( 3.200 -7.888 -1.191) 8.595 7.082 ( 0.553 -5.778 2.229) 6.217 7.261 ( 1.571 -3.003 -1.043) 3.546 7.483 ( 4.345 -0.495 0.907) 4.466 7.508 ( 1.947 -2.606 -0.538) 3.298 7.974 ( -2.816 -0.548 -0.727) 2.959 8.182 ( -1.701 2.807 0.446) 3.313 ======================= Grid point 182 (72/242) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -1.914 -6.810 0.891) 7.130 1.028 ( -1.179 0.393 -0.468) 1.328 1.222 ( 0.463 -2.692 -1.225) 2.993 1.387 ( 3.688 0.756 1.328) 3.992 1.474 ( 0.346 0.578 0.336) 0.753 1.623 ( 3.136 -0.387 -1.249) 3.398 1.652 ( -0.776 -1.913 -0.160) 2.071 1.717 ( 0.926 -0.420 0.263) 1.050 1.792 ( -0.708 -1.838 -1.154) 2.282 1.822 ( -0.184 -1.036 1.018) 1.464 1.879 ( 0.011 1.186 0.816) 1.440 1.926 ( -0.204 -2.472 -0.418) 2.515 1.943 ( -0.484 -2.136 0.122) 2.194 2.035 ( -1.308 1.000 -0.242) 1.665 2.183 ( -1.993 2.653 1.809) 3.779 2.338 ( -0.418 4.083 -1.374) 4.329 2.478 ( 6.432 -1.239 -1.285) 6.675 2.558 ( -0.308 1.346 -1.309) 1.903 2.575 ( -0.687 2.700 1.379) 3.108 2.781 ( -0.987 -1.857 1.499) 2.583 2.972 ( -1.707 -2.466 -0.771) 3.096 3.090 ( -0.519 -2.481 0.118) 2.538 3.150 ( 0.615 -0.430 0.634) 0.982 3.226 ( 1.226 1.868 0.163) 2.240 5.630 ( -0.283 -7.075 0.486) 7.097 5.787 ( -0.527 1.545 -0.733) 1.790 6.381 ( -1.324 -6.989 2.006) 7.391 6.680 ( -0.561 -9.073 -1.390) 9.196 7.044 ( 1.253 -2.806 0.108) 3.075 7.112 ( 0.789 -8.035 0.509) 8.090 7.201 ( 0.426 -5.988 0.700) 6.044 7.295 ( 0.096 0.186 -1.001) 1.023 7.485 ( 1.735 1.521 0.416) 2.344 7.573 ( 0.940 -2.426 -0.073) 2.603 7.996 ( -1.313 -2.881 -0.590) 3.221 8.124 ( -0.856 2.516 0.407) 2.689 ======================= Grid point 183 (73/242) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.090 -7.157 0.709) 7.489 0.984 ( -3.014 1.917 -0.590) 3.620 1.250 ( 0.165 0.299 -0.973) 1.031 1.376 ( 1.210 1.258 0.239) 1.762 1.459 ( -1.068 0.783 0.315) 1.361 1.584 ( 0.361 4.930 -0.936) 5.031 1.679 ( -0.141 -1.126 1.036) 1.537 1.726 ( 0.089 -0.174 -0.150) 0.246 1.839 ( 1.220 -3.268 0.352) 3.506 1.857 ( 0.122 -0.105 0.304) 0.344 1.892 ( 2.306 -2.561 0.034) 3.446 1.924 ( 0.389 0.523 -3.017) 3.086 1.979 ( 0.054 -0.494 -0.048) 0.500 2.049 ( -0.054 -0.524 0.821) 0.975 2.110 ( -5.925 2.527 1.816) 6.693 2.293 ( 0.701 -1.021 -0.162) 1.249 2.442 ( -0.239 5.608 -0.748) 5.662 2.520 ( 2.228 1.806 -2.168) 3.595 2.578 ( 0.549 -1.207 1.256) 1.826 2.809 ( 0.151 -0.903 1.920) 2.127 2.989 ( -1.921 -0.459 -0.618) 2.070 3.127 ( 0.389 -1.337 -0.190) 1.405 3.165 ( -0.302 -0.627 0.571) 0.900 3.186 ( 0.388 2.501 0.189) 2.538 5.729 ( -0.468 3.113 -0.153) 3.152 5.764 ( 0.393 -5.351 -0.240) 5.371 6.491 ( -0.053 -3.751 2.149) 4.323 6.774 ( 0.163 -1.145 -1.962) 2.278 7.042 ( -1.439 2.630 1.038) 3.173 7.202 ( 1.569 0.065 0.275) 1.595 7.245 ( -0.676 3.647 -0.711) 3.777 7.308 ( 0.645 -3.371 -0.417) 3.457 7.449 ( -0.146 2.592 0.149) 2.601 7.597 ( 0.151 0.635 0.261) 0.703 8.061 ( -0.106 -3.736 -0.346) 3.754 8.079 ( -0.102 1.538 0.247) 1.561 ======================= Grid point 184 (74/242) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 1.984 2.349 0.423) 3.103 1.034 ( -1.799 -6.928 -1.627) 7.340 1.195 ( -1.806 4.074 1.421) 4.677 1.365 ( 2.109 0.708 -0.877) 2.391 1.419 ( -3.322 4.424 -0.410) 5.548 1.478 ( -0.511 2.862 -1.737) 3.387 1.694 ( -0.997 -0.349 1.022) 1.469 1.726 ( 1.357 0.002 -1.898) 2.333 1.860 ( -1.545 1.413 -1.955) 2.865 1.880 ( 3.336 3.055 1.423) 4.742 1.902 ( 3.334 0.052 0.246) 3.344 1.916 ( -2.115 0.662 -1.841) 2.881 1.970 ( 1.131 2.428 1.020) 2.866 2.033 ( 0.662 -2.004 -0.070) 2.112 2.111 ( -5.185 -4.481 1.233) 6.963 2.316 ( 0.714 6.050 0.766) 6.140 2.367 ( -0.026 -3.850 -1.195) 4.031 2.469 ( -0.288 3.188 0.101) 3.203 2.609 ( 0.783 -1.221 0.805) 1.659 2.828 ( 1.229 -0.161 1.470) 1.923 2.971 ( -1.217 1.248 -0.364) 1.781 3.127 ( 0.273 3.043 -0.010) 3.055 3.149 ( 0.898 -0.522 -0.375) 1.105 3.175 ( -1.699 -0.476 0.255) 1.783 5.643 ( -0.522 5.064 0.709) 5.140 5.850 ( 0.554 -2.843 -1.761) 3.390 6.527 ( -0.430 0.602 1.144) 1.362 6.728 ( 0.618 5.236 -3.150) 6.141 6.942 ( -1.920 6.688 0.932) 7.020 7.100 ( 0.747 8.420 -1.104) 8.525 7.172 ( -0.461 5.558 1.486) 5.772 7.316 ( 0.751 3.252 -0.961) 3.474 7.396 ( -0.875 2.061 0.011) 2.239 7.548 ( -0.059 4.239 0.721) 4.301 8.052 ( 0.203 0.728 -0.077) 0.760 8.145 ( 0.205 -4.153 -0.064) 4.158 ======================= Grid point 185 (75/242) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -2.628 -1.714 -1.330) 3.407 0.995 ( -0.474 8.731 2.040) 8.979 1.195 ( 0.599 2.620 0.027) 2.687 1.259 ( -3.953 3.237 -2.833) 5.842 1.358 ( 1.702 0.995 -1.854) 2.706 1.466 ( -0.178 -1.270 -1.064) 1.666 1.690 ( -0.463 2.887 -2.419) 3.795 1.713 ( 1.102 0.066 -1.715) 2.039 1.752 ( -2.157 3.716 -0.292) 4.306 1.850 ( 0.463 2.309 0.790) 2.484 1.889 ( -2.314 -0.413 -0.990) 2.551 1.914 ( -0.756 1.620 0.098) 1.790 1.934 ( 6.328 3.942 1.716) 7.650 2.058 ( 1.675 0.110 0.038) 1.679 2.183 ( -1.213 1.756 1.679) 2.716 2.247 ( -1.227 -3.456 0.221) 3.674 2.330 ( 0.896 5.106 2.855) 5.918 2.502 ( 0.711 -4.512 -0.856) 4.647 2.632 ( 0.131 -0.543 -0.231) 0.604 2.831 ( -0.003 0.501 1.407) 1.493 2.931 ( -0.070 2.263 -0.442) 2.307 3.070 ( -0.141 2.690 -0.150) 2.698 3.153 ( -0.081 0.488 -0.870) 1.001 3.176 ( -0.602 -0.477 0.247) 0.807 5.531 ( -0.789 6.011 1.444) 6.232 5.869 ( -0.017 0.451 -3.173) 3.205 6.456 ( -1.203 6.854 0.053) 6.959 6.559 ( 0.351 11.404 -5.203) 12.539 6.772 ( -0.574 9.621 0.775) 9.670 6.915 ( 1.192 10.150 -0.965) 10.265 7.013 ( -2.097 9.803 2.698) 10.382 7.207 ( 1.386 7.305 -1.008) 7.504 7.352 ( -0.852 2.058 -0.387) 2.261 7.451 ( 0.586 5.377 1.692) 5.668 8.050 ( 0.255 -0.473 -0.492) 0.728 8.224 ( -0.154 -3.766 0.187) 3.774 ======================= Grid point 186 (76/242) ======================= q-point: (-0.08 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.570 10.074 5.379) 11.528 0.893 ( -5.080 6.639 -4.123) 9.321 1.024 ( 0.569 1.718 -1.520) 2.363 1.261 ( -1.046 1.010 -1.139) 1.847 1.335 ( 1.047 1.513 -1.650) 2.472 1.524 ( 2.302 -2.849 -2.809) 4.616 1.598 ( 0.800 2.872 -4.198) 5.149 1.682 ( -1.973 2.404 2.209) 3.815 1.748 ( 1.299 -0.804 -1.575) 2.194 1.790 ( -1.104 3.916 1.707) 4.412 1.819 ( -0.504 7.124 -1.176) 7.238 1.829 ( 3.822 8.315 3.854) 9.930 1.932 ( -0.067 -1.586 -1.092) 1.927 2.009 ( 2.728 5.050 1.376) 5.902 2.141 ( -0.635 -0.159 0.566) 0.866 2.252 ( 1.101 1.189 3.534) 3.888 2.389 ( 1.497 -5.631 0.500) 5.848 2.561 ( -0.172 -0.756 -1.363) 1.568 2.624 ( 1.159 1.579 -0.590) 2.046 2.824 ( -1.148 0.137 1.625) 1.994 2.893 ( -1.186 0.259 -0.641) 1.373 3.010 ( 0.310 3.955 -0.371) 3.984 3.137 ( -0.663 0.036 -0.911) 1.128 3.185 ( 0.686 -0.093 0.290) 0.751 5.413 ( -0.978 5.658 2.244) 6.165 5.828 ( -1.073 2.367 -3.885) 4.674 6.210 ( -1.872 17.695 -1.887) 17.893 6.270 ( -0.592 15.595 -6.204) 16.794 6.582 ( -0.319 9.847 2.092) 10.071 6.719 ( 0.511 9.879 -0.206) 9.894 6.815 ( -1.271 8.833 2.536) 9.278 7.067 ( 3.563 7.234 -0.950) 8.119 7.305 ( -1.021 2.207 0.224) 2.442 7.375 ( 2.128 3.010 1.895) 4.144 8.068 ( -0.014 -1.327 -0.861) 1.582 8.291 ( -0.627 -3.174 0.373) 3.257 ======================= Grid point 190 (77/242) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 10.904 0.000 7.348) 13.149 0.813 ( 8.762 0.000 9.773) 13.126 1.166 ( -3.111 -0.000 -3.327) 4.555 1.186 ( -3.578 -0.000 -0.837) 3.674 1.243 ( -2.800 -0.000 -1.815) 3.337 1.280 ( 13.142 0.000 6.395) 14.616 1.409 ( 0.725 0.000 -2.451) 2.556 1.463 ( -0.935 -0.000 -0.305) 0.984 1.565 ( 2.476 0.000 5.241) 5.796 1.626 ( 9.340 0.000 -2.155) 9.586 1.740 ( -1.597 -0.000 4.963) 5.214 1.927 ( -1.321 -0.000 -1.603) 2.078 1.955 ( 3.314 0.000 -1.060) 3.479 2.086 ( -3.690 -0.000 -4.964) 6.185 2.184 ( 4.058 0.000 2.166) 4.600 2.203 ( 5.575 0.000 0.354) 5.586 2.399 ( -1.134 -0.000 -3.048) 3.252 2.453 ( -2.367 -0.000 -0.266) 2.382 2.503 ( -2.622 -0.000 1.062) 2.829 2.695 ( -0.088 -0.000 0.295) 0.308 2.908 ( -4.669 -0.000 0.810) 4.739 3.038 ( -0.123 -0.000 -0.071) 0.142 3.084 ( 0.864 0.000 0.702) 1.113 3.299 ( 2.953 0.000 0.249) 2.963 4.470 ( 4.656 0.000 0.168) 4.659 5.238 ( -5.103 -0.000 -0.049) 5.103 5.634 ( -12.916 -0.000 5.749) 14.137 5.764 ( -1.469 -0.000 0.332) 1.506 5.866 ( -3.210 -0.000 1.486) 3.537 6.352 ( 3.802 0.000 -0.220) 3.808 6.757 ( 3.641 0.000 -5.982) 7.003 7.066 ( 3.583 0.000 3.844) 5.255 7.442 ( 6.830 0.000 -6.203) 9.226 7.507 ( 4.774 0.000 3.094) 5.689 8.114 ( -1.048 -0.000 -1.761) 2.050 8.362 ( -2.761 -0.000 1.179) 3.002 ======================= Grid point 191 (78/242) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 7.704 -0.553 6.060) 9.818 0.857 ( 8.274 2.420 7.361) 11.336 1.099 ( 0.106 2.652 -3.925) 4.738 1.149 ( -2.144 1.336 -1.230) 2.810 1.306 ( -3.801 -6.430 -3.476) 8.239 1.389 ( 1.579 -1.685 -1.668) 2.848 1.439 ( 0.053 -3.824 0.815) 3.911 1.527 ( 3.061 -7.214 -2.201) 8.140 1.649 ( 5.255 -5.018 7.375) 10.353 1.679 ( 6.493 -1.277 0.021) 6.617 1.741 ( -0.080 -0.267 4.074) 4.084 1.935 ( -0.792 -0.151 -3.123) 3.225 1.943 ( 4.171 2.676 -0.242) 4.962 2.068 ( -1.796 -2.916 -2.097) 4.016 2.130 ( 4.291 3.903 0.462) 5.819 2.328 ( 3.989 -2.626 1.791) 5.100 2.415 ( -0.881 -3.721 -1.339) 4.052 2.465 ( -4.142 0.437 0.174) 4.168 2.528 ( -3.087 -6.660 -0.917) 7.398 2.681 ( 0.930 0.808 -0.149) 1.241 2.866 ( -3.216 0.541 0.302) 3.275 3.015 ( 0.803 3.936 0.198) 4.022 3.122 ( -0.617 -3.687 0.351) 3.754 3.280 ( 3.522 2.709 0.342) 4.456 4.825 ( -0.631 -27.622 -2.688) 27.760 5.300 ( -3.431 -7.156 0.660) 7.963 5.565 ( -10.237 -1.225 1.350) 10.398 5.757 ( -0.390 -1.560 -0.491) 1.682 5.988 ( -4.421 -11.058 1.610) 12.017 6.433 ( 2.826 -5.724 0.058) 6.384 6.776 ( 2.452 -1.811 -4.331) 5.296 7.098 ( 2.693 -0.904 3.429) 4.453 7.441 ( 7.883 2.644 -5.020) 9.712 7.506 ( 5.348 1.987 3.198) 6.540 8.085 ( -1.560 1.830 -1.506) 2.838 8.334 ( -2.961 1.428 1.184) 3.493 ======================= Grid point 192 (79/242) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 1.409 7.552 0.023) 7.682 0.864 ( 3.899 -1.070 5.169) 6.563 1.085 ( 4.001 -0.064 -2.591) 4.767 1.161 ( 0.358 -3.798 2.118) 4.363 1.368 ( 1.293 -2.116 -0.607) 2.553 1.424 ( -2.648 -3.643 -1.416) 4.721 1.547 ( -1.182 -4.279 -3.359) 5.566 1.664 ( 0.934 -7.311 -2.331) 7.731 1.711 ( -0.666 -0.813 0.442) 1.139 1.774 ( 5.520 -2.419 2.944) 6.707 1.845 ( 3.494 -3.469 2.611) 5.573 1.898 ( 2.491 -0.409 1.073) 2.742 1.933 ( 0.602 0.207 -2.066) 2.162 2.059 ( 3.436 4.086 -0.352) 5.350 2.179 ( 2.206 -6.204 0.009) 6.585 2.347 ( -1.119 0.909 1.666) 2.203 2.408 ( -3.941 0.649 -0.582) 4.036 2.510 ( -1.113 -3.158 0.316) 3.363 2.642 ( -0.849 -5.278 -0.832) 5.410 2.709 ( 2.240 -3.108 -0.185) 3.836 2.870 ( -2.304 -0.494 -0.307) 2.376 2.921 ( -0.221 3.602 -0.109) 3.610 3.192 ( 0.417 -3.050 0.322) 3.095 3.242 ( 3.067 2.969 0.245) 4.275 5.297 ( -0.531 -11.240 0.705) 11.274 5.464 ( -2.382 -18.398 -2.013) 18.660 5.636 ( -7.656 -10.343 -1.193) 12.923 5.852 ( -1.742 -8.411 -1.290) 8.686 6.231 ( -3.080 -15.416 1.298) 15.774 6.585 ( 2.705 -7.975 -0.239) 8.425 6.846 ( 1.485 -4.879 -1.174) 5.233 7.147 ( 2.181 -2.130 1.730) 3.505 7.431 ( 7.731 1.240 -1.960) 8.072 7.510 ( 4.521 0.894 1.100) 4.738 8.025 ( -2.542 2.554 -1.147) 3.781 8.284 ( -2.769 2.227 0.932) 3.674 ======================= Grid point 193 (80/242) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -1.093 5.234 0.454) 5.366 0.930 ( 1.701 -3.166 2.254) 4.242 1.110 ( 1.114 -1.716 -1.163) 2.354 1.278 ( 3.518 -5.349 2.462) 6.859 1.437 ( 3.712 -3.181 0.640) 4.930 1.488 ( -3.661 -4.778 -1.326) 6.164 1.593 ( -0.778 -2.588 -2.159) 3.459 1.688 ( -0.221 1.576 -0.518) 1.674 1.792 ( 3.027 -1.004 -0.828) 3.294 1.830 ( 3.449 -1.638 0.393) 3.838 1.867 ( 2.242 -1.846 1.873) 3.456 1.910 ( 1.322 2.392 -2.255) 3.543 1.934 ( -0.936 1.668 0.535) 1.986 2.042 ( -2.904 -1.690 -0.373) 3.380 2.288 ( -1.196 0.105 1.578) 1.983 2.339 ( 3.873 -3.616 0.359) 5.311 2.394 ( -0.497 -0.681 -0.761) 1.136 2.561 ( -2.886 -3.503 -0.082) 4.540 2.689 ( 0.380 2.604 -0.836) 2.762 2.756 ( 1.600 1.293 1.039) 2.305 2.829 ( -0.511 -2.924 -0.569) 3.022 2.954 ( -1.706 -4.031 -0.351) 4.391 3.197 ( 2.296 2.758 0.516) 3.625 3.243 ( 0.838 -1.342 0.128) 1.587 5.388 ( -1.290 -4.123 1.124) 4.464 5.727 ( 0.663 -5.844 -0.697) 5.923 5.974 ( -3.593 -22.491 -2.853) 22.954 6.031 ( -3.607 -12.522 0.593) 13.044 6.558 ( -0.915 -17.801 1.065) 17.856 6.768 ( 3.358 -8.896 -0.962) 9.557 6.966 ( -0.006 -6.436 1.558) 6.621 7.210 ( 1.630 -2.930 -0.135) 3.356 7.466 ( 5.471 -1.404 -1.177) 5.770 7.520 ( 3.282 0.442 0.687) 3.382 7.965 ( -2.961 1.503 -0.911) 3.443 8.226 ( -2.101 2.507 0.681) 3.341 ======================= Grid point 194 (81/242) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -0.931 -1.794 1.709) 2.647 1.002 ( 0.477 -2.628 1.052) 2.871 1.162 ( 0.613 -3.107 -0.484) 3.203 1.395 ( 4.442 -3.373 1.600) 5.802 1.487 ( -0.298 -0.109 -0.076) 0.326 1.573 ( -0.790 -4.581 -0.203) 4.653 1.630 ( 0.315 -0.487 -0.611) 0.843 1.671 ( 1.200 -2.188 -0.556) 2.557 1.803 ( 2.907 0.798 0.373) 3.037 1.846 ( 0.535 3.129 -1.504) 3.512 1.868 ( -2.726 -0.344 0.705) 2.837 1.889 ( 0.318 -1.590 0.038) 1.622 1.934 ( 3.242 -0.240 0.623) 3.310 2.027 ( -5.016 0.291 -0.186) 5.028 2.241 ( -1.344 2.924 1.603) 3.595 2.402 ( 2.026 1.255 -2.631) 3.550 2.455 ( 4.264 -4.247 -0.154) 6.020 2.579 ( -2.194 4.608 -0.020) 5.104 2.609 ( -2.039 -1.868 0.257) 2.777 2.756 ( 0.934 0.374 0.616) 1.180 2.901 ( -0.786 -3.813 -0.951) 4.008 3.026 ( -0.630 -3.715 0.277) 3.778 3.165 ( 1.183 1.387 0.828) 2.002 3.256 ( 0.814 0.482 0.157) 0.959 5.491 ( -0.784 -6.593 0.981) 6.712 5.792 ( 0.550 -0.982 -0.711) 1.331 6.206 ( -1.929 -10.100 1.351) 10.371 6.406 ( -0.566 -18.194 -0.589) 18.212 6.885 ( -0.288 -14.513 0.883) 14.543 6.953 ( 3.551 -7.818 -1.340) 8.691 7.087 ( -1.499 -5.618 2.490) 6.325 7.271 ( 0.966 -2.386 -1.165) 2.825 7.523 ( 1.410 0.123 -0.074) 1.417 7.528 ( 3.039 -1.703 0.002) 3.483 7.944 ( -1.987 -1.085 -0.820) 2.408 8.169 ( -1.200 2.504 0.562) 2.833 ======================= Grid point 195 (82/242) ======================= q-point: (-0.33 -0.75 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.731 -6.953 1.018) 7.065 1.027 ( 0.891 0.861 0.818) 1.485 1.224 ( 0.842 -2.559 -1.010) 2.877 1.424 ( 1.588 2.765 1.000) 3.341 1.469 ( -1.120 0.040 0.317) 1.165 1.639 ( 1.434 -1.598 -1.758) 2.775 1.655 ( 1.023 -1.059 0.494) 1.553 1.727 ( 0.203 -0.212 0.850) 0.899 1.783 ( -0.121 -1.697 -0.772) 1.868 1.818 ( -0.824 -1.513 -0.096) 1.726 1.877 ( -0.775 1.866 0.775) 2.164 1.928 ( -0.412 -2.993 1.166) 3.239 1.945 ( 1.020 -0.586 -0.403) 1.244 2.027 ( 0.127 -1.864 -0.046) 1.869 2.170 ( -1.780 4.021 1.597) 4.679 2.333 ( 0.874 4.385 -1.634) 4.761 2.516 ( -0.289 1.878 -2.830) 3.409 2.534 ( 0.488 -1.133 0.042) 1.234 2.596 ( 1.712 1.802 1.290) 2.800 2.770 ( -2.015 -2.027 0.914) 3.001 2.957 ( -0.342 -2.277 -0.888) 2.468 3.088 ( -0.021 -2.621 0.311) 2.639 3.158 ( 0.251 0.048 0.999) 1.031 3.235 ( 0.414 1.912 0.094) 1.958 5.631 ( -0.011 -7.267 0.664) 7.297 5.782 ( 0.177 1.757 -0.459) 1.824 6.381 ( -0.597 -7.530 2.441) 7.938 6.676 ( 0.698 -9.093 -0.767) 9.152 7.055 ( 0.676 -1.970 0.544) 2.153 7.123 ( 0.778 -7.890 0.352) 7.937 7.200 ( -1.067 -6.590 0.594) 6.702 7.292 ( 0.314 0.668 -1.191) 1.401 7.500 ( 0.528 2.228 0.390) 2.322 7.581 ( 0.533 -2.003 -0.119) 2.076 7.984 ( -0.317 -3.510 -0.678) 3.589 8.118 ( -0.507 2.277 0.486) 2.383 ======================= Grid point 196 (83/242) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.676 -8.284 -0.703) 8.734 0.989 ( 3.374 3.300 1.249) 4.882 1.249 ( 0.490 0.728 -1.037) 1.358 1.379 ( -0.950 1.422 -0.098) 1.713 1.453 ( -0.132 1.093 0.440) 1.186 1.581 ( 0.098 5.954 -1.023) 6.043 1.683 ( -0.065 -1.000 1.348) 1.680 1.724 ( -0.282 0.211 -0.515) 0.624 1.844 ( -1.027 -2.694 0.039) 2.883 1.859 ( 0.437 -1.104 0.004) 1.188 1.902 ( 0.926 -4.794 -2.577) 5.521 1.934 ( 1.678 0.188 0.833) 1.882 1.977 ( -0.233 -1.513 -0.575) 1.635 2.039 ( -2.151 3.916 0.098) 4.469 2.092 ( 1.162 1.623 2.680) 3.342 2.298 ( 0.277 -1.310 -0.107) 1.343 2.433 ( -0.804 5.349 -1.073) 5.514 2.506 ( -1.464 1.435 -2.213) 3.016 2.614 ( 3.410 -0.182 1.735) 3.830 2.803 ( -2.701 -2.050 1.265) 3.619 2.982 ( 1.027 -0.262 -0.326) 1.109 3.130 ( 0.365 -1.573 -0.127) 1.620 3.162 ( -0.655 -0.244 0.658) 0.960 3.188 ( -0.092 2.855 -0.001) 2.857 5.727 ( 0.149 3.355 -0.076) 3.359 5.765 ( 0.102 -5.409 -0.264) 5.416 6.493 ( -1.350 -3.559 1.914) 4.261 6.773 ( 1.231 -0.857 -1.788) 2.334 7.037 ( -0.333 3.316 1.118) 3.515 7.217 ( 0.349 -0.998 0.686) 1.260 7.235 ( 0.005 4.817 -1.031) 4.927 7.307 ( -0.317 -3.734 -0.578) 3.792 7.449 ( 0.086 3.000 0.144) 3.005 7.598 ( -0.093 0.702 0.266) 0.757 8.060 ( 0.253 -3.677 -0.395) 3.707 8.078 ( -0.208 1.161 0.293) 1.216 ======================= Grid point 197 (84/242) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -5.289 1.388 -0.399) 5.482 1.056 ( 5.284 -5.288 -0.952) 7.536 1.190 ( -0.200 4.086 1.183) 4.258 1.337 ( -4.250 3.044 -1.534) 5.448 1.432 ( 4.064 3.424 -0.180) 5.318 1.464 ( -0.426 2.687 -1.829) 3.278 1.690 ( -0.361 0.156 0.762) 0.857 1.726 ( 0.183 -0.560 -1.600) 1.705 1.823 ( -2.826 3.392 -2.398) 5.024 1.880 ( -1.929 0.329 -1.689) 2.585 1.904 ( -1.622 3.883 2.070) 4.690 1.923 ( 1.938 -0.260 0.304) 1.979 2.025 ( 3.349 -2.590 -0.571) 4.272 2.048 ( 2.829 1.257 1.204) 3.321 2.080 ( 0.410 -4.736 1.096) 4.878 2.288 ( -4.042 3.244 -0.198) 5.187 2.398 ( 4.312 -1.499 0.062) 4.566 2.457 ( -1.575 1.731 -0.336) 2.365 2.630 ( 1.897 0.195 1.153) 2.228 2.821 ( -3.360 -1.008 1.418) 3.784 2.977 ( 2.324 1.626 -0.150) 2.840 3.126 ( -0.491 3.123 -0.082) 3.162 3.150 ( -0.721 -0.315 -0.546) 0.958 3.166 ( 0.268 -0.508 0.192) 0.606 5.640 ( -0.462 5.151 0.611) 5.207 5.844 ( -0.196 -2.453 -1.926) 3.125 6.510 ( -3.259 0.916 0.521) 3.425 6.725 ( 1.277 5.776 -3.145) 6.699 6.939 ( 0.502 6.838 0.843) 6.908 7.103 ( 0.807 8.264 -1.064) 8.371 7.170 ( -0.981 5.733 1.505) 6.008 7.318 ( 0.325 2.771 -0.859) 2.919 7.394 ( 0.531 2.450 -0.035) 2.507 7.551 ( 0.030 3.934 0.767) 4.008 8.051 ( -0.330 0.661 -0.108) 0.747 8.146 ( -0.043 -4.076 -0.048) 4.077 ======================= Grid point 198 (85/242) ======================= q-point: (-0.08 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -6.609 -0.190 -1.453) 6.769 1.022 ( 2.951 8.075 1.088) 8.666 1.173 ( -4.815 8.776 -2.893) 10.419 1.233 ( 2.214 -3.704 0.056) 4.316 1.382 ( 3.391 2.905 -1.894) 4.850 1.470 ( 1.994 -1.951 -0.754) 2.890 1.671 ( -0.234 3.338 -3.608) 4.921 1.706 ( -0.612 1.427 -1.172) 1.946 1.740 ( -0.549 1.154 0.257) 1.303 1.845 ( -1.926 2.312 1.116) 3.210 1.865 ( -1.137 -0.491 -1.248) 1.758 1.910 ( 0.083 2.721 -0.138) 2.726 1.997 ( 1.549 3.271 1.746) 4.019 2.093 ( 6.013 -1.082 0.266) 6.116 2.179 ( -0.731 1.125 1.178) 1.785 2.242 ( -0.371 -2.342 1.066) 2.600 2.353 ( 1.137 2.981 2.261) 3.911 2.514 ( 2.316 -3.767 -0.560) 4.457 2.636 ( 0.810 -0.057 -0.316) 0.872 2.815 ( -3.716 -0.180 1.625) 4.059 2.937 ( 1.054 3.372 -0.476) 3.565 3.068 ( -0.046 2.508 -0.174) 2.515 3.138 ( -1.369 0.480 -0.800) 1.656 3.184 ( 1.504 -0.579 -0.015) 1.611 5.527 ( -1.238 5.969 1.344) 6.242 5.849 ( -0.883 0.899 -3.253) 3.489 6.422 ( -4.739 6.152 -0.546) 7.785 6.536 ( -0.536 13.005 -4.946) 13.925 6.784 ( 2.059 9.566 0.535) 9.800 6.923 ( 0.491 10.208 -0.594) 10.237 7.007 ( -0.558 9.706 2.172) 9.962 7.223 ( 2.045 6.520 -0.770) 6.876 7.352 ( 1.346 2.374 -0.139) 2.732 7.466 ( 0.726 4.646 1.502) 4.936 8.046 ( -0.719 -0.473 -0.503) 0.997 8.221 ( -0.652 -3.659 0.189) 3.722 ======================= Grid point 203 (86/242) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 8.145 0.000 5.167) 9.646 0.920 ( 4.838 0.000 3.222) 5.813 1.136 ( -0.282 -0.000 -0.257) 0.382 1.142 ( -3.968 -0.000 -0.468) 3.996 1.195 ( -3.954 -0.000 -2.529) 4.694 1.378 ( 5.022 0.000 -4.813) 6.956 1.390 ( -0.497 -0.000 -4.823) 4.849 1.478 ( 1.267 0.000 4.444) 4.621 1.647 ( 7.207 0.000 6.625) 9.789 1.701 ( 4.051 0.000 -0.769) 4.123 1.755 ( 2.032 0.000 5.517) 5.879 1.900 ( -1.422 -0.000 -2.833) 3.170 1.992 ( 2.338 0.000 0.177) 2.345 2.029 ( -2.241 -0.000 -2.561) 3.403 2.231 ( 3.470 0.000 0.806) 3.563 2.275 ( 7.015 0.000 0.787) 7.059 2.376 ( -1.210 -0.000 -1.494) 1.923 2.423 ( -2.858 -0.000 -0.592) 2.918 2.471 ( -4.142 -0.000 0.446) 4.166 2.693 ( -0.457 -0.000 -0.087) 0.465 2.860 ( -4.563 -0.000 0.476) 4.588 3.037 ( -0.064 -0.000 -0.025) 0.069 3.098 ( 1.277 0.000 0.362) 1.327 3.329 ( 2.457 0.000 0.169) 2.463 4.517 ( 4.170 0.000 -0.760) 4.239 5.180 ( -5.203 -0.000 -0.492) 5.227 5.530 ( -10.156 -0.000 2.127) 10.377 5.754 ( -0.839 -0.000 0.511) 0.982 5.841 ( -2.025 -0.000 -0.449) 2.074 6.388 ( 3.038 0.000 -0.075) 3.039 6.759 ( 1.824 0.000 -4.816) 5.150 7.105 ( 0.438 0.000 3.980) 4.004 7.494 ( 8.144 0.000 -6.481) 10.408 7.570 ( 4.292 0.000 2.975) 5.222 8.095 ( -0.968 -0.000 -1.416) 1.716 8.336 ( -3.075 -0.000 1.528) 3.434 ======================= Grid point 204 (87/242) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 2.057 2.196 -0.954) 3.157 0.945 ( 3.626 1.963 5.022) 6.498 1.117 ( -0.019 -1.041 1.673) 1.970 1.123 ( 3.218 2.454 -1.821) 4.438 1.250 ( -3.970 -6.663 -2.524) 8.156 1.378 ( -0.296 -3.645 -4.274) 5.625 1.442 ( 0.076 -1.745 -0.237) 1.763 1.539 ( 1.506 -5.096 -1.372) 5.488 1.695 ( -0.271 -0.423 -1.540) 1.620 1.747 ( 5.338 -3.180 6.346) 8.881 1.799 ( 4.633 -1.805 4.819) 6.924 1.907 ( -0.449 -0.443 -3.178) 3.240 1.988 ( 3.227 3.364 0.171) 4.665 2.042 ( -1.274 -6.232 -0.393) 6.373 2.186 ( 5.254 4.919 0.196) 7.200 2.355 ( -0.284 0.551 0.028) 0.620 2.399 ( -4.171 -0.254 -0.121) 4.181 2.430 ( 0.838 -4.554 0.609) 4.670 2.493 ( -2.826 -6.584 -0.931) 7.225 2.687 ( 0.518 -0.277 -0.372) 0.695 2.835 ( -2.654 -0.179 0.020) 2.660 3.024 ( 0.760 4.079 -0.044) 4.149 3.118 ( -0.343 -3.523 0.276) 3.550 3.314 ( 2.499 2.392 0.315) 3.474 4.816 ( 0.565 -24.860 -2.021) 24.949 5.273 ( -1.982 -9.966 0.159) 10.162 5.463 ( -8.937 0.099 -0.793) 8.973 5.752 ( -0.140 -1.791 -0.646) 1.910 5.956 ( -2.610 -10.644 0.317) 10.964 6.461 ( 2.176 -5.484 0.043) 5.900 6.779 ( 1.766 -2.218 -3.073) 4.181 7.123 ( -0.580 -1.154 2.935) 3.206 7.506 ( 8.009 1.650 -5.668) 9.949 7.567 ( 3.760 2.330 2.817) 5.244 8.064 ( -1.264 2.301 -1.036) 2.823 8.309 ( -2.801 1.432 1.471) 3.472 ======================= Grid point 205 (88/242) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.816 6.963 -1.929) 7.271 0.922 ( 2.179 1.236 5.052) 5.639 1.097 ( 1.095 -0.008 -2.123) 2.389 1.200 ( 3.947 -4.356 2.172) 6.266 1.355 ( -2.711 -6.123 -0.691) 6.732 1.414 ( 0.917 -1.101 0.417) 1.492 1.526 ( -0.106 -4.464 -2.518) 5.126 1.653 ( -0.416 -5.734 -3.291) 6.625 1.713 ( 0.487 -2.461 0.904) 2.666 1.835 ( 2.854 -2.502 2.400) 4.491 1.886 ( -1.607 -3.687 -0.357) 4.038 1.897 ( 3.818 1.672 0.292) 4.178 1.950 ( 1.501 1.167 0.918) 2.111 2.093 ( 3.068 6.105 -0.804) 6.880 2.199 ( 1.029 -8.002 -0.434) 8.080 2.323 ( -3.847 1.285 -0.310) 4.068 2.366 ( -2.792 -1.174 -0.324) 3.047 2.506 ( -0.700 -1.272 1.141) 1.847 2.636 ( 0.369 -7.067 -0.620) 7.104 2.731 ( 1.770 -3.139 0.104) 3.605 2.846 ( -1.546 -1.154 -0.542) 2.004 2.919 ( -0.029 4.848 -0.184) 4.852 3.196 ( 0.126 -3.620 0.197) 3.628 3.271 ( 1.888 3.181 0.496) 3.732 5.295 ( -0.319 -12.016 0.210) 12.022 5.441 ( -0.745 -17.704 -2.299) 17.868 5.565 ( -4.434 -12.993 0.081) 13.730 5.833 ( -0.726 -6.649 -1.361) 6.825 6.211 ( -1.670 -16.186 0.790) 16.291 6.610 ( 2.028 -8.256 -0.232) 8.505 6.854 ( 1.004 -4.907 -0.233) 5.014 7.159 ( -0.817 -2.449 1.019) 2.776 7.499 ( 6.276 1.441 -3.738) 7.446 7.551 ( 2.566 1.326 1.779) 3.392 7.997 ( -1.889 3.044 -0.807) 3.672 8.263 ( -1.977 2.136 1.106) 3.113 ======================= Grid point 206 (89/242) ======================= q-point: (-0.42 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 1.105 5.143 2.142) 5.680 0.953 ( 0.437 -2.468 2.203) 3.337 1.118 ( 1.361 -1.639 -0.164) 2.137 1.321 ( 2.166 -5.548 1.376) 6.113 1.439 ( -3.142 -3.641 -0.710) 4.861 1.479 ( 1.905 -4.578 1.473) 5.173 1.587 ( 1.182 -2.576 -0.797) 2.944 1.682 ( 0.145 0.484 -1.440) 1.526 1.806 ( 0.601 -3.835 -0.126) 3.884 1.864 ( 2.511 1.431 -1.209) 3.133 1.879 ( -0.928 0.789 0.978) 1.562 1.904 ( -1.338 0.710 -1.228) 1.950 1.957 ( 4.398 1.225 1.254) 4.735 2.008 ( -2.995 1.166 -0.462) 3.247 2.268 ( -2.889 0.250 0.196) 2.907 2.359 ( -0.496 -5.215 -0.359) 5.251 2.401 ( 2.548 -2.582 -1.544) 3.942 2.526 ( -3.029 -2.580 0.265) 3.987 2.690 ( 0.438 4.306 -0.495) 4.356 2.777 ( 1.181 0.129 0.901) 1.491 2.822 ( -0.343 -2.661 -0.538) 2.736 2.942 ( -0.245 -4.305 -0.208) 4.317 3.217 ( 0.813 2.860 0.729) 3.061 3.250 ( 0.446 -1.470 0.248) 1.556 5.378 ( -1.151 -4.353 0.442) 4.524 5.739 ( 1.426 -5.634 0.416) 5.827 5.941 ( -0.576 -22.119 -1.710) 22.192 6.012 ( -0.486 -14.380 0.855) 14.413 6.556 ( -0.527 -18.219 1.041) 18.257 6.795 ( 2.296 -9.190 -0.942) 9.519 6.969 ( -0.747 -6.030 2.044) 6.410 7.214 ( -0.412 -3.241 -0.660) 3.333 7.504 ( 1.666 -0.451 -2.179) 2.780 7.551 ( 2.337 0.517 1.066) 2.620 7.937 ( -1.391 1.552 -0.849) 2.250 8.212 ( -0.909 2.365 0.799) 2.657 ======================= Grid point 207 (90/242) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 1.727 -0.842 3.015) 3.576 1.016 ( 1.080 -2.577 1.652) 3.246 1.172 ( 1.527 -2.814 0.151) 3.205 1.424 ( -2.230 -3.754 0.902) 4.459 1.476 ( 1.023 -0.040 0.181) 1.040 1.571 ( -0.321 -3.956 -0.473) 3.997 1.640 ( 2.175 -1.566 0.263) 2.693 1.683 ( 1.248 -1.965 0.170) 2.334 1.808 ( -2.194 2.895 0.089) 3.633 1.835 ( -0.771 2.115 -2.285) 3.207 1.863 ( 0.982 -1.736 0.906) 2.191 1.900 ( 0.923 -0.528 0.522) 1.185 1.971 ( -2.207 1.926 1.744) 3.409 1.979 ( 1.793 -1.918 -1.214) 2.893 2.234 ( -1.093 2.510 1.364) 3.058 2.403 ( 0.385 0.596 -3.628) 3.697 2.477 ( -0.202 -3.396 -0.047) 3.402 2.565 ( -0.102 1.855 -0.249) 1.874 2.588 ( -1.437 -0.486 0.166) 1.526 2.764 ( -0.074 1.645 0.636) 1.765 2.892 ( 0.183 -3.783 -1.150) 3.958 3.026 ( 0.213 -3.835 0.415) 3.863 3.177 ( 0.279 1.501 1.173) 1.925 3.261 ( 0.045 0.486 0.186) 0.523 5.490 ( -0.250 -6.921 1.000) 6.997 5.799 ( 1.107 -0.539 -0.304) 1.268 6.206 ( 0.351 -10.639 2.053) 10.841 6.411 ( 1.766 -18.259 0.133) 18.345 6.887 ( -0.178 -14.521 1.044) 14.560 6.978 ( 2.435 -8.080 -1.565) 8.583 7.075 ( -2.859 -5.061 2.735) 6.424 7.270 ( 0.126 -2.488 -1.369) 2.842 7.523 ( -1.193 -1.029 -0.539) 1.665 7.552 ( 1.043 0.076 0.286) 1.084 7.930 ( 0.224 -1.433 -0.883) 1.698 8.164 ( -0.135 2.435 0.633) 2.519 ======================= Grid point 208 (91/242) ======================= q-point: (-0.25 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.348 -5.520 1.128) 5.645 1.053 ( 2.972 0.607 1.628) 3.442 1.231 ( 1.278 -2.170 -0.819) 2.648 1.414 ( -3.574 2.441 0.651) 4.377 1.468 ( 0.325 0.315 0.408) 0.609 1.641 ( 0.463 -1.521 -1.966) 2.529 1.672 ( 1.665 -0.111 0.714) 1.815 1.726 ( -1.234 -0.004 1.179) 1.706 1.782 ( 0.104 -2.640 -0.365) 2.667 1.808 ( -0.331 -1.803 -0.594) 1.927 1.874 ( -0.727 2.117 0.826) 2.386 1.924 ( -0.734 -2.471 0.554) 2.637 1.954 ( 0.795 -0.192 -0.077) 0.822 2.040 ( 2.106 -3.005 0.618) 3.721 2.162 ( -0.883 4.268 1.298) 4.547 2.342 ( 2.128 4.099 -1.500) 4.856 2.474 ( -4.076 0.851 -2.294) 4.754 2.543 ( 0.022 2.336 -0.581) 2.407 2.618 ( 1.376 -1.620 1.137) 2.411 2.750 ( -2.277 -1.157 0.389) 2.583 2.958 ( 1.406 -2.655 -0.877) 3.130 3.091 ( 0.253 -2.592 0.459) 2.645 3.163 ( -0.158 0.397 1.087) 1.168 3.235 ( -0.431 1.970 0.124) 2.020 5.635 ( 0.173 -7.221 0.818) 7.269 5.787 ( 1.059 2.012 -0.338) 2.298 6.389 ( -0.121 -7.005 2.712) 7.513 6.688 ( 2.116 -8.685 -0.459) 8.951 7.065 ( 0.614 -1.463 1.124) 1.945 7.127 ( -0.388 -7.529 0.247) 7.543 7.185 ( -1.960 -7.426 0.115) 7.681 7.291 ( 0.485 0.650 -1.211) 1.458 7.499 ( -0.925 2.054 0.388) 2.286 7.581 ( -0.449 -1.956 -0.134) 2.011 7.985 ( 1.051 -3.590 -0.659) 3.798 8.118 ( 0.019 2.359 0.483) 2.408 ======================= Grid point 209 (92/242) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -2.892 -5.126 -0.360) 5.896 1.041 ( 4.653 1.510 1.174) 5.031 1.251 ( 0.795 0.986 -1.078) 1.664 1.360 ( -1.994 1.541 -0.262) 2.534 1.455 ( -0.025 0.725 0.171) 0.746 1.579 ( 0.225 5.588 -0.682) 5.634 1.690 ( 0.302 -0.721 1.106) 1.355 1.716 ( -0.839 0.392 0.071) 0.929 1.826 ( -1.712 -0.916 -0.235) 1.956 1.859 ( -0.165 -0.952 -0.844) 1.283 1.899 ( -0.029 -4.830 -1.626) 5.097 1.947 ( -0.077 -0.300 1.362) 1.396 1.974 ( 0.487 -2.131 -0.960) 2.387 2.025 ( -0.574 4.274 0.044) 4.313 2.141 ( 5.270 0.292 2.432) 5.811 2.297 ( -0.482 1.077 0.082) 1.183 2.415 ( -1.400 1.928 -1.754) 2.958 2.482 ( -1.476 2.084 -0.987) 2.738 2.652 ( 2.460 -0.077 0.639) 2.543 2.771 ( -3.922 -2.070 1.448) 4.665 3.003 ( 2.856 -0.681 -0.298) 2.951 3.132 ( -0.044 -1.334 -0.040) 1.336 3.159 ( -0.525 0.106 0.450) 0.700 3.184 ( -0.622 2.754 0.154) 2.827 5.731 ( 0.724 3.826 -0.068) 3.895 5.763 ( -0.226 -5.122 -0.279) 5.135 6.482 ( -2.112 -2.386 1.854) 3.687 6.782 ( 1.829 -0.396 -1.785) 2.586 7.045 ( 0.636 3.282 1.224) 3.560 7.208 ( -1.855 -0.106 0.275) 1.878 7.243 ( 1.638 3.836 -0.507) 4.202 7.298 ( -0.891 -4.015 -0.768) 4.184 7.451 ( 0.125 2.558 0.208) 2.570 7.597 ( -0.342 0.528 0.232) 0.670 8.063 ( 0.549 -3.047 -0.367) 3.118 8.077 ( -0.256 0.916 0.268) 0.988 ======================= Grid point 210 (93/242) ======================= q-point: (-0.08 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -5.479 1.563 -0.006) 5.698 1.100 ( 3.025 -3.379 -1.978) 4.947 1.199 ( 0.934 3.624 0.678) 3.804 1.296 ( -1.625 4.451 -0.842) 4.813 1.450 ( -0.429 0.467 -0.914) 1.113 1.483 ( 5.116 3.796 -0.647) 6.403 1.693 ( 0.215 0.674 0.664) 0.970 1.715 ( -0.820 -0.566 -1.621) 1.903 1.792 ( -1.234 3.325 -0.948) 3.671 1.855 ( -1.684 0.680 -1.371) 2.275 1.890 ( -1.819 2.691 0.846) 3.357 1.943 ( 1.186 0.559 0.626) 1.453 2.003 ( -3.245 -1.162 -0.380) 3.468 2.074 ( 1.087 -5.585 -0.667) 5.729 2.158 ( 8.765 0.744 2.045) 9.031 2.249 ( -2.831 1.912 0.113) 3.418 2.431 ( -0.815 2.769 -1.087) 3.084 2.450 ( 3.081 -3.915 0.621) 5.020 2.650 ( 0.909 0.926 0.256) 1.322 2.787 ( -3.830 -1.017 2.231) 4.548 3.003 ( 2.145 2.177 -0.346) 3.076 3.119 ( -0.639 2.837 0.008) 2.909 3.136 ( -1.160 0.209 -0.346) 1.229 3.176 ( 1.252 -0.977 -0.024) 1.589 5.638 ( -0.434 5.554 0.497) 5.593 5.830 ( -0.701 -1.937 -1.832) 2.757 6.469 ( -4.479 2.048 0.406) 4.942 6.723 ( 0.814 6.641 -2.996) 7.331 6.958 ( 2.420 6.483 0.665) 6.952 7.106 ( 0.503 7.850 -0.792) 7.906 7.168 ( -0.589 5.965 1.349) 6.144 7.314 ( -0.242 1.845 -0.858) 2.049 7.407 ( 1.894 2.300 0.149) 2.983 7.555 ( 0.082 3.527 0.622) 3.583 8.044 ( -0.841 0.871 -0.193) 1.226 8.144 ( -0.340 -3.820 0.026) 3.835 ======================= Grid point 216 (94/242) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -2.162 -0.000 -5.625) 6.027 0.937 ( 1.630 0.000 0.849) 1.838 1.110 ( -1.581 -0.000 1.413) 2.121 1.146 ( -2.804 -0.000 -2.100) 3.503 1.166 ( 3.079 0.000 4.071) 5.104 1.370 ( 0.521 0.000 -2.975) 3.020 1.376 ( 1.680 0.000 -8.789) 8.948 1.516 ( 1.473 0.000 5.263) 5.465 1.685 ( -1.129 -0.000 -2.974) 3.181 1.762 ( 5.314 0.000 5.308) 7.511 1.799 ( -2.058 -0.000 4.183) 4.662 1.900 ( 5.235 0.000 -0.378) 5.248 1.975 ( -2.084 -0.000 0.412) 2.124 2.048 ( 2.960 0.000 0.678) 3.037 2.260 ( 1.462 0.000 -0.803) 1.668 2.329 ( 0.553 0.000 -0.544) 0.776 2.377 ( 3.142 0.000 -0.532) 3.187 2.392 ( -2.055 -0.000 -0.612) 2.144 2.424 ( -4.060 -0.000 1.195) 4.232 2.686 ( -0.660 -0.000 -0.353) 0.748 2.822 ( -2.806 -0.000 0.235) 2.816 3.036 ( 0.004 0.000 0.026) 0.027 3.111 ( 0.773 0.000 0.142) 0.786 3.350 ( 1.342 0.000 0.151) 1.350 4.545 ( 2.085 0.000 -2.016) 2.901 5.132 ( -3.139 -0.000 -0.491) 3.177 5.438 ( -7.457 -0.000 -1.832) 7.679 5.750 ( -0.397 -0.000 0.629) 0.744 5.819 ( -1.299 -0.000 -1.618) 2.075 6.413 ( 1.681 0.000 0.001) 1.681 6.761 ( 2.337 0.000 -3.296) 4.040 7.111 ( -2.001 -0.000 2.907) 3.529 7.540 ( 3.986 0.000 -4.321) 5.879 7.625 ( 5.078 0.000 0.508) 5.103 8.083 ( -0.410 -0.000 -0.629) 0.751 8.314 ( -2.370 -0.000 1.854) 3.009 ======================= Grid point 217 (95/242) ======================= q-point: (-0.50 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -4.568 2.820 -5.007) 7.341 0.978 ( -0.679 -0.790 0.819) 1.325 1.109 ( 0.577 0.891 0.994) 1.454 1.171 ( 0.006 -2.101 -0.741) 2.228 1.226 ( 3.196 -4.043 0.910) 5.233 1.356 ( -0.033 -4.976 -4.302) 6.578 1.442 ( 0.726 -2.239 -0.867) 2.509 1.549 ( 0.564 -2.622 -0.021) 2.682 1.678 ( -1.003 -1.334 -1.829) 2.476 1.800 ( -1.869 -1.930 -0.582) 2.749 1.823 ( -0.488 -2.119 6.085) 6.462 1.940 ( 6.108 0.807 2.234) 6.553 2.004 ( 0.595 0.254 -0.680) 0.939 2.043 ( 0.606 -3.960 0.682) 4.064 2.226 ( 1.538 4.467 -0.893) 4.809 2.330 ( -5.402 2.054 -1.712) 6.027 2.349 ( -0.532 0.567 0.035) 0.778 2.461 ( -2.167 -5.700 -0.353) 6.108 2.470 ( 3.526 -6.140 1.450) 7.228 2.690 ( 0.488 -1.274 -0.379) 1.416 2.814 ( -1.099 -0.567 -0.212) 1.255 3.029 ( 0.165 4.199 -0.239) 4.209 3.116 ( -0.220 -3.373 0.267) 3.391 3.333 ( 0.797 2.124 0.321) 2.291 4.814 ( 0.659 -24.021 -2.078) 24.120 5.262 ( -0.332 -12.952 0.137) 12.957 5.375 ( -5.614 1.320 -3.149) 6.571 5.748 ( 0.077 -1.757 -0.925) 1.987 5.935 ( -1.369 -10.620 -0.299) 10.712 6.477 ( 0.873 -5.480 0.043) 5.549 6.791 ( 2.543 -2.293 -1.729) 3.836 7.116 ( -2.521 -1.216 1.729) 3.290 7.533 ( 0.319 0.941 -3.453) 3.593 7.623 ( 5.734 2.703 0.081) 6.340 8.050 ( -0.684 2.813 -0.371) 2.919 8.293 ( -1.391 1.421 1.682) 2.605 ======================= Grid point 218 (96/242) ======================= q-point: (-0.42 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -1.921 3.472 -1.368) 4.198 0.946 ( -1.034 2.046 2.897) 3.694 1.107 ( 2.278 -0.503 -0.688) 2.432 1.228 ( -1.472 -4.094 1.067) 4.479 1.336 ( 0.941 -5.072 -0.880) 5.233 1.429 ( 0.788 -1.930 1.143) 2.377 1.528 ( 1.894 -4.952 -0.315) 5.312 1.630 ( -0.749 -5.396 -3.983) 6.748 1.725 ( 0.934 -3.357 0.741) 3.563 1.829 ( -3.286 -2.783 -2.139) 4.808 1.885 ( 0.179 -2.472 3.856) 4.583 1.938 ( 2.632 2.312 -0.338) 3.519 1.963 ( -0.432 1.301 1.866) 2.315 2.106 ( -0.249 6.691 -1.163) 6.796 2.186 ( -2.316 -6.810 -2.020) 7.472 2.281 ( -2.402 -0.527 -0.838) 2.598 2.356 ( 0.971 -1.755 -0.343) 2.035 2.502 ( -0.757 -0.298 0.861) 1.185 2.642 ( 0.842 -7.431 -0.125) 7.480 2.745 ( 0.477 -3.090 0.425) 3.156 2.838 ( 0.622 -1.271 -0.583) 1.531 2.917 ( -0.243 4.881 -0.322) 4.898 3.196 ( -0.250 -3.696 0.169) 3.708 3.284 ( 0.116 3.008 0.642) 3.078 5.290 ( -0.760 -8.994 -0.361) 9.033 5.422 ( -0.051 -22.073 -2.966) 22.271 5.556 ( 1.780 -13.961 1.550) 14.159 5.825 ( 0.516 -6.249 -1.587) 6.468 6.201 ( -0.777 -16.682 0.592) 16.711 6.623 ( 0.493 -8.562 -0.170) 8.578 6.868 ( 1.603 -4.428 0.652) 4.754 7.143 ( -2.414 -2.765 -0.029) 3.671 7.499 ( -2.891 0.698 -2.888) 4.145 7.597 ( 4.038 2.402 0.571) 4.733 7.981 ( -0.444 3.281 -0.629) 3.371 8.256 ( -0.144 2.111 1.216) 2.440 ======================= Grid point 219 (97/242) ======================= q-point: (-0.33 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 3.028 4.016 3.527) 6.143 0.958 ( -0.904 -3.196 1.925) 3.839 1.140 ( 2.578 -1.495 0.612) 3.043 1.311 ( -5.430 -5.388 1.276) 7.755 1.429 ( 2.437 -4.269 -1.324) 5.091 1.491 ( -0.871 -3.732 1.173) 4.008 1.614 ( 3.470 -2.699 1.439) 4.626 1.680 ( 0.823 -0.465 -1.710) 1.954 1.804 ( -0.621 -3.422 -0.849) 3.580 1.863 ( -1.093 -1.199 -1.233) 2.038 1.866 ( -3.231 3.105 0.030) 4.481 1.890 ( 1.077 1.429 -0.383) 1.829 1.977 ( -2.641 2.606 -0.256) 3.719 2.012 ( 4.155 0.027 1.569) 4.442 2.230 ( -3.937 -2.357 -1.097) 4.718 2.336 ( -3.117 -4.078 -1.382) 5.315 2.410 ( 0.402 -2.510 -1.231) 2.825 2.518 ( 1.388 -2.141 0.218) 2.561 2.692 ( 0.260 4.791 -0.406) 4.815 2.783 ( -1.128 -0.429 1.000) 1.567 2.820 ( 0.740 -2.366 -0.600) 2.550 2.948 ( 1.387 -4.229 -0.024) 4.451 3.218 ( -1.066 2.072 0.711) 2.436 3.255 ( 0.073 -0.907 0.439) 1.010 5.369 ( -0.729 -5.123 0.105) 5.176 5.758 ( 1.479 -5.010 0.963) 5.312 5.948 ( 2.916 -21.365 -0.764) 21.577 6.029 ( 3.012 -16.106 0.679) 16.400 6.556 ( -0.349 -18.422 1.120) 18.459 6.805 ( 0.294 -9.515 -0.815) 9.554 6.972 ( -0.598 -5.014 2.416) 5.597 7.198 ( -1.516 -3.880 -1.281) 4.358 7.477 ( -4.245 -1.235 -1.959) 4.836 7.574 ( 0.550 1.404 0.763) 1.690 7.932 ( 1.317 1.384 -0.961) 2.139 8.215 ( 0.725 2.427 0.858) 2.675 ======================= Grid point 220 (98/242) ======================= q-point: (-0.25 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 3.202 0.458 3.252) 4.586 1.042 ( 2.523 -3.538 2.304) 4.918 1.192 ( 1.839 -2.238 0.399) 2.924 1.372 ( -6.808 -3.601 1.014) 7.768 1.499 ( 1.180 0.728 0.703) 1.555 1.559 ( -0.083 -5.045 -2.283) 5.538 1.674 ( 3.044 -0.990 0.690) 3.274 1.697 ( 0.478 -1.932 1.991) 2.815 1.777 ( -2.653 2.582 -1.108) 3.864 1.816 ( -0.914 1.122 -1.433) 2.037 1.881 ( 1.088 -1.150 0.294) 1.611 1.891 ( -2.527 -0.676 -0.254) 2.628 1.947 ( -0.697 -0.707 1.016) 1.420 2.024 ( 4.373 0.552 0.426) 4.428 2.231 ( -0.644 2.194 1.245) 2.604 2.369 ( -3.527 -2.246 -4.242) 5.956 2.458 ( -2.919 -1.540 0.186) 3.306 2.568 ( 0.837 -0.425 -0.871) 1.281 2.589 ( 1.251 2.109 0.246) 2.465 2.758 ( -1.638 1.872 0.654) 2.572 2.897 ( 1.564 -3.929 -1.027) 4.352 3.034 ( 0.851 -3.588 0.464) 3.716 3.180 ( -0.804 1.228 1.147) 1.863 3.259 ( -0.647 0.593 0.291) 0.925 5.494 ( 0.214 -7.210 1.085) 7.295 5.812 ( 1.637 -0.359 -0.173) 1.685 6.231 ( 2.483 -10.279 2.356) 10.834 6.443 ( 3.822 -17.742 0.316) 18.152 6.889 ( -0.384 -14.616 1.127) 14.665 6.987 ( 0.409 -8.905 -1.697) 9.074 7.055 ( -3.184 -3.682 2.822) 5.626 7.263 ( -0.322 -3.049 -1.458) 3.395 7.495 ( -3.400 -2.234 -0.570) 4.108 7.550 ( -1.687 0.426 0.300) 1.765 7.941 ( 2.534 -1.367 -0.881) 3.011 8.171 ( 0.894 2.672 0.625) 2.886 ======================= Grid point 221 (99/242) ======================= q-point: (-0.17 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 1.487 -3.568 1.143) 4.031 1.101 ( 4.281 0.587 1.829) 4.692 1.240 ( 0.957 -1.750 -0.799) 2.149 1.371 ( -4.772 0.551 0.845) 4.877 1.468 ( -0.591 0.893 0.213) 1.092 1.628 ( -1.352 -0.802 -1.867) 2.441 1.694 ( 1.112 1.160 0.720) 1.761 1.715 ( -0.890 -0.706 1.162) 1.626 1.773 ( -0.969 -3.395 -1.131) 3.707 1.817 ( 1.726 -1.471 0.567) 2.337 1.864 ( -1.504 1.061 0.296) 1.865 1.923 ( 0.442 -1.807 -0.041) 1.860 1.961 ( 0.413 -0.318 0.001) 0.522 2.074 ( 3.325 -1.728 1.233) 3.945 2.161 ( -0.313 2.906 0.945) 3.071 2.363 ( 2.807 2.834 -1.194) 4.163 2.411 ( -5.878 0.733 -2.203) 6.320 2.530 ( -1.849 3.173 -0.504) 3.707 2.636 ( 1.245 -2.939 0.832) 3.298 2.727 ( -2.120 -0.173 0.158) 2.133 2.977 ( 2.634 -3.121 -0.717) 4.147 3.097 ( 0.355 -2.373 0.449) 2.441 3.163 ( -0.836 0.490 0.844) 1.284 3.228 ( -0.966 1.997 0.324) 2.242 5.641 ( 0.126 -6.930 0.888) 6.987 5.801 ( 1.746 2.275 -0.395) 2.895 6.405 ( 0.838 -5.657 2.846) 6.388 6.713 ( 2.705 -7.857 -0.637) 8.334 7.075 ( -0.208 -0.725 1.763) 1.918 7.115 ( -1.964 -7.729 0.234) 7.978 7.164 ( -1.503 -8.329 -0.677) 8.490 7.293 ( 0.830 0.154 -1.040) 1.340 7.484 ( -2.146 1.133 0.410) 2.461 7.572 ( -1.099 -2.422 -0.148) 2.664 7.998 ( 1.943 -3.090 -0.531) 3.689 8.122 ( 0.441 2.738 0.393) 2.801 ======================= Grid point 222 (100/242) ======================= q-point: (-0.08 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.174 -2.564 0.378) 2.845 1.084 ( 2.160 1.582 0.271) 2.691 1.254 ( 0.736 0.885 -1.148) 1.625 1.342 ( -1.014 1.067 -0.230) 1.490 1.454 ( -0.123 0.515 0.114) 0.542 1.580 ( 0.437 3.460 -0.313) 3.501 1.694 ( -0.116 -0.461 -0.807) 0.936 1.711 ( -0.768 0.640 2.457) 2.652 1.812 ( -0.670 -0.153 -0.058) 0.690 1.850 ( -0.281 -0.463 -1.428) 1.527 1.886 ( -1.100 -2.982 -0.556) 3.226 1.951 ( 0.550 -0.821 -0.680) 1.199 1.977 ( 0.337 -2.062 -0.154) 2.095 2.025 ( 0.324 4.297 0.374) 4.326 2.211 ( 5.470 -2.479 1.959) 6.316 2.284 ( -2.645 4.235 0.514) 5.020 2.395 ( 0.151 -1.289 -2.242) 2.591 2.467 ( -1.002 1.581 -0.060) 1.873 2.663 ( -0.494 0.181 -1.486) 1.576 2.749 ( -1.527 -2.016 2.984) 3.911 3.031 ( 2.377 -0.645 -0.536) 2.520 3.130 ( -0.309 -0.684 -0.031) 0.751 3.153 ( -0.769 0.238 0.140) 0.817 3.180 ( -0.294 1.995 0.565) 2.094 5.740 ( 0.984 4.505 -0.146) 4.614 5.758 ( -0.566 -4.709 -0.260) 4.750 6.470 ( -1.636 -0.617 2.020) 2.672 6.791 ( 1.418 0.236 -1.944) 2.418 7.059 ( 0.695 2.500 1.277) 2.892 7.189 ( -1.757 -0.132 0.113) 1.766 7.259 ( 1.511 3.341 -0.333) 3.682 7.284 ( -0.740 -3.933 -0.809) 4.083 7.453 ( -0.028 1.444 0.273) 1.470 7.594 ( -0.344 0.200 0.192) 0.442 8.068 ( 0.516 -1.204 -0.282) 1.340 8.075 ( -0.230 0.032 0.189) 0.300 ======================= Grid point 229 (101/242) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -6.674 -0.000 -8.131) 10.519 0.897 ( -6.927 -0.000 -3.824) 7.912 1.120 ( -0.290 -0.000 -2.092) 2.111 1.129 ( 2.217 0.000 2.943) 3.685 1.206 ( 1.527 0.000 0.705) 1.682 1.352 ( 1.683 0.000 -9.012) 9.168 1.386 ( 3.011 0.000 2.051) 3.643 1.553 ( 1.191 0.000 5.098) 5.235 1.643 ( -3.964 -0.000 -4.106) 5.708 1.743 ( -7.606 -0.000 0.617) 7.631 1.822 ( 0.332 0.000 4.537) 4.549 1.953 ( 1.453 0.000 1.264) 1.926 2.006 ( 6.735 0.000 4.216) 7.946 2.072 ( 1.107 0.000 0.642) 1.280 2.247 ( -2.439 -0.000 -2.318) 3.364 2.310 ( -2.375 -0.000 -1.046) 2.595 2.350 ( -3.759 -0.000 -1.770) 4.155 2.382 ( 0.705 0.000 -0.419) 0.820 2.457 ( 4.334 0.000 2.558) 5.033 2.681 ( 0.348 0.000 -0.383) 0.518 2.805 ( -0.420 -0.000 0.041) 0.422 3.037 ( 0.060 0.000 0.065) 0.089 3.114 ( -0.306 -0.000 0.009) 0.306 3.357 ( -0.284 -0.000 0.174) 0.333 4.540 ( -0.950 -0.000 -3.020) 3.166 5.114 ( 0.289 0.000 -0.377) 0.475 5.359 ( -4.570 -0.000 -4.802) 6.629 5.750 ( -0.080 -0.000 0.700) 0.705 5.800 ( -0.518 -0.000 -2.389) 2.444 6.423 ( 0.081 0.000 0.036) 0.088 6.780 ( 3.366 0.000 -2.079) 3.956 7.094 ( -3.059 -0.000 1.870) 3.586 7.529 ( -2.527 -0.000 -3.099) 3.999 7.683 ( 5.432 0.000 -0.819) 5.494 8.080 ( -0.112 -0.000 -0.003) 0.112 8.307 ( -0.479 -0.000 2.019) 2.075 ======================= Grid point 230 (102/242) ======================= q-point: (-0.42 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -8.093 0.912 -4.957) 9.535 0.936 ( -5.876 -4.524 -2.926) 7.972 1.131 ( 2.122 1.691 0.648) 2.790 1.150 ( -1.183 -2.685 -0.376) 2.958 1.279 ( 4.463 -3.383 -1.147) 5.716 1.343 ( 1.250 -5.177 -3.522) 6.385 1.459 ( 2.266 -2.604 2.172) 4.078 1.544 ( -1.305 -0.195 -1.110) 1.724 1.656 ( -2.766 -3.739 -1.183) 4.799 1.738 ( -7.070 -3.139 0.071) 7.736 1.842 ( -2.195 -1.614 4.778) 5.500 1.992 ( 0.940 0.938 1.131) 1.744 2.018 ( 1.539 2.231 0.515) 2.759 2.060 ( 3.432 -2.737 1.439) 4.620 2.201 ( -4.650 3.888 -1.548) 6.255 2.274 ( -2.949 1.108 -1.853) 3.654 2.365 ( 2.803 0.071 -0.846) 2.929 2.444 ( -0.780 -5.332 0.401) 5.404 2.508 ( 2.280 -4.645 0.997) 5.270 2.695 ( 0.555 -1.546 -0.184) 1.653 2.812 ( 1.156 -0.839 -0.246) 1.449 3.025 ( -0.718 4.542 -0.379) 4.614 3.115 ( -0.271 -3.518 0.238) 3.536 3.333 ( -1.150 1.950 0.376) 2.295 4.813 ( 1.151 -25.547 -2.044) 25.655 5.254 ( -1.704 -9.968 -0.793) 10.144 5.333 ( 1.347 -3.259 -3.838) 5.212 5.746 ( 0.411 -1.689 -1.201) 2.113 5.924 ( -0.441 -10.785 -0.522) 10.806 6.479 ( -0.645 -5.547 0.077) 5.585 6.816 ( 3.305 -2.226 -0.945) 4.095 7.090 ( -3.260 -1.066 0.997) 3.572 7.490 ( -4.897 1.157 -3.216) 5.971 7.674 ( 3.271 2.862 0.031) 4.346 8.045 ( 0.093 3.068 -0.314) 3.085 8.297 ( 0.650 1.414 1.727) 2.325 ======================= Grid point 231 (103/242) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -2.254 -1.928 0.714) 3.051 0.930 ( -3.319 1.279 0.767) 3.638 1.134 ( 2.428 -1.252 -0.324) 2.751 1.190 ( -5.059 -2.998 1.571) 6.087 1.361 ( 4.121 -3.584 -2.407) 5.969 1.436 ( -0.580 -1.928 1.368) 2.434 1.561 ( 3.172 -5.749 1.965) 6.854 1.605 ( -0.442 -5.950 -3.993) 7.179 1.728 ( -1.317 -4.355 -0.870) 4.632 1.780 ( -3.603 -3.690 -1.325) 5.325 1.895 ( -3.536 -4.473 5.806) 8.137 1.945 ( -2.017 4.232 0.793) 4.755 1.956 ( 0.651 2.013 -1.899) 2.843 2.078 ( -3.589 4.837 -1.121) 6.127 2.150 ( -1.857 -2.462 -2.275) 3.833 2.267 ( -0.231 -1.542 -0.687) 1.704 2.375 ( 2.924 -1.450 -0.802) 3.361 2.503 ( 0.426 -0.787 0.770) 1.181 2.647 ( 0.230 -6.770 -0.297) 6.780 2.746 ( -0.511 -2.779 0.539) 2.876 2.854 ( 2.473 -0.629 -0.177) 2.558 2.911 ( -0.431 3.566 -0.523) 3.630 3.192 ( -0.748 -3.357 0.151) 3.443 3.279 ( -1.573 2.560 0.715) 3.089 5.276 ( -1.039 -5.067 -0.865) 5.245 5.428 ( 3.695 -27.899 -1.963) 28.211 5.603 ( 5.352 -13.572 1.271) 14.644 5.829 ( 1.643 -7.114 -1.977) 7.564 6.199 ( -0.150 -16.923 0.606) 16.935 6.619 ( -1.095 -8.710 -0.013) 8.779 6.892 ( 1.912 -3.751 1.088) 4.349 7.112 ( -3.144 -2.964 -0.553) 4.356 7.431 ( -6.948 0.412 -2.908) 7.544 7.620 ( -0.690 3.033 0.992) 3.265 7.984 ( 1.825 2.970 -1.041) 3.638 8.270 ( 1.497 2.183 1.211) 2.911 ======================= Grid point 232 (104/242) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 4.093 3.138 3.975) 6.512 0.958 ( -0.698 -5.654 2.294) 6.142 1.171 ( 2.279 -1.024 0.743) 2.607 1.241 ( -7.895 -5.325 1.507) 9.641 1.454 ( 2.200 -4.669 -2.837) 5.890 1.480 ( -0.822 -2.753 1.645) 3.311 1.663 ( 3.795 -2.663 2.002) 5.050 1.682 ( 0.662 -1.384 -1.028) 1.847 1.785 ( -2.197 -2.405 -1.015) 3.412 1.818 ( -3.931 0.365 -1.608) 4.263 1.852 ( -1.380 1.173 0.663) 1.929 1.902 ( 1.365 2.289 -1.972) 3.315 1.953 ( -1.891 0.764 1.250) 2.392 2.053 ( 2.259 -1.836 1.483) 3.267 2.172 ( -5.636 -5.380 -2.621) 8.221 2.288 ( -4.185 -1.198 -1.320) 4.549 2.412 ( 0.809 -0.590 -0.478) 1.109 2.543 ( 2.611 -2.409 -0.317) 3.567 2.693 ( 0.386 4.037 -0.595) 4.098 2.766 ( -2.526 -0.073 1.105) 2.759 2.831 ( 1.652 -2.400 -0.423) 2.945 2.967 ( 2.146 -3.922 0.038) 4.471 3.203 ( -2.165 1.378 0.653) 2.648 3.253 ( -0.783 -0.585 0.486) 1.092 5.366 ( -0.004 -5.960 0.302) 5.967 5.778 ( 1.710 -4.530 0.718) 4.895 5.992 ( 5.572 -19.904 -0.074) 20.670 6.078 ( 5.839 -17.598 -0.101) 18.542 6.557 ( -0.391 -18.375 1.229) 18.420 6.794 ( -1.515 -9.596 -0.584) 9.732 6.976 ( -1.035 -3.769 2.577) 4.682 7.173 ( -2.062 -4.674 -1.639) 5.365 7.410 ( -6.179 -2.674 -1.837) 6.979 7.562 ( -3.528 1.857 0.914) 4.090 7.954 ( 3.561 1.138 -1.162) 3.915 8.233 ( 1.716 2.649 0.827) 3.263 ======================= Grid point 233 (105/242) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 3.819 1.560 2.563) 4.857 1.091 ( 4.271 -4.725 2.846) 6.976 1.206 ( -0.370 -1.792 0.455) 1.886 1.306 ( -5.885 -4.039 1.158) 7.231 1.493 ( -2.435 0.796 0.541) 2.618 1.558 ( 1.607 -4.109 -2.849) 5.252 1.679 ( -3.191 -0.911 1.139) 3.508 1.721 ( 2.207 -0.553 1.395) 2.669 1.755 ( 0.131 1.900 -1.511) 2.431 1.807 ( -0.468 -1.270 0.304) 1.387 1.850 ( -2.376 -0.727 -1.417) 2.860 1.903 ( 1.645 -0.890 0.475) 1.930 1.951 ( 0.081 -0.617 0.906) 1.099 2.071 ( 3.970 -0.134 0.444) 3.997 2.227 ( -1.516 2.811 0.652) 3.259 2.300 ( -5.261 -5.982 -3.404) 8.663 2.424 ( -3.558 -0.309 0.094) 3.573 2.566 ( -0.507 1.230 -1.406) 1.936 2.614 ( 3.136 1.879 0.343) 3.672 2.739 ( -2.125 1.562 0.634) 2.712 2.914 ( 2.287 -4.227 -0.684) 4.854 3.047 ( 1.205 -3.107 0.377) 3.353 3.171 ( -1.590 0.819 0.864) 1.986 3.250 ( -1.279 0.654 0.405) 1.492 5.503 ( 0.461 -7.281 1.228) 7.398 5.831 ( 2.067 -0.358 -0.379) 2.132 6.278 ( 4.341 -9.414 2.231) 10.603 6.490 ( 4.791 -16.615 -0.180) 17.293 6.886 ( -1.376 -14.382 0.924) 14.478 6.972 ( -1.906 -9.569 -1.152) 9.825 7.036 ( -2.444 -2.889 2.426) 4.495 7.252 ( -0.481 -3.926 -1.462) 4.217 7.452 ( -3.923 -3.431 -0.253) 5.218 7.522 ( -3.432 -0.291 0.164) 3.448 7.970 ( 3.465 -0.960 -0.805) 3.684 8.186 ( 1.340 3.068 0.546) 3.392 ======================= Grid point 234 (106/242) ======================= q-point: (-0.08 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 3.027 -2.015 1.128) 3.807 1.149 ( 2.810 2.212 0.892) 3.686 1.242 ( -0.094 -1.859 -0.414) 1.907 1.326 ( -4.145 -1.392 0.834) 4.452 1.464 ( -0.053 0.608 0.324) 0.691 1.596 ( -3.485 -0.764 -1.206) 3.766 1.688 ( -0.944 -0.265 -0.372) 1.049 1.731 ( 0.750 0.983 1.697) 2.100 1.762 ( 0.598 -3.644 -1.197) 3.882 1.834 ( 0.150 -0.358 0.629) 0.739 1.857 ( 1.018 -0.738 0.019) 1.258 1.931 ( 1.058 -1.062 -0.523) 1.587 1.963 ( 0.012 -0.518 0.052) 0.521 2.112 ( 2.012 2.156 0.803) 3.056 2.165 ( 0.814 -1.579 0.960) 2.019 2.333 ( -7.144 1.074 -1.444) 7.368 2.389 ( 3.014 0.367 -0.963) 3.185 2.501 ( -3.002 3.177 -0.435) 4.393 2.647 ( 0.075 -1.545 -0.559) 1.644 2.715 ( 0.036 -0.636 1.304) 1.452 3.002 ( 2.355 -3.225 -0.612) 4.040 3.102 ( 0.429 -2.015 0.275) 2.079 3.154 ( -1.353 0.449 0.509) 1.514 3.219 ( -1.198 1.793 0.542) 2.223 5.645 ( -0.122 -6.436 0.883) 6.497 5.819 ( 2.013 2.541 -0.622) 3.301 6.433 ( 2.129 -3.952 2.774) 5.277 6.735 ( 2.168 -6.727 -1.258) 7.179 7.060 ( -4.292 -2.623 1.687) 5.305 7.103 ( -0.299 -6.887 0.100) 6.894 7.152 ( -0.175 -8.164 -0.574) 8.186 7.299 ( 1.089 -0.647 -0.925) 1.569 7.460 ( -2.733 -0.070 0.432) 2.768 7.560 ( -1.052 -3.150 -0.074) 3.322 8.018 ( 1.996 -2.337 -0.360) 3.094 8.130 ( 0.608 3.250 0.249) 3.316 ======================= Grid point 242 (107/242) ======================= q-point: (-0.42 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -9.638 -0.000 -8.078) 12.575 0.777 ( -11.146 -0.000 -5.632) 12.488 1.118 ( 1.790 0.000 -2.592) 3.150 1.163 ( 2.369 0.000 1.197) 2.654 1.211 ( 0.431 0.000 -1.518) 1.578 1.336 ( 1.982 0.000 -6.855) 7.136 1.441 ( 3.816 0.000 4.768) 6.107 1.551 ( -11.701 -0.000 -1.880) 11.851 1.585 ( 0.809 0.000 4.460) 4.532 1.661 ( -7.235 -0.000 -0.479) 7.250 1.819 ( -2.861 -0.000 1.788) 3.374 1.976 ( 0.968 0.000 3.137) 3.284 2.061 ( 0.256 0.000 0.813) 0.853 2.116 ( 6.078 0.000 3.621) 7.075 2.196 ( -4.764 -0.000 -2.829) 5.541 2.267 ( -4.047 -0.000 -1.575) 4.343 2.329 ( 0.525 0.000 -0.795) 0.953 2.397 ( 2.137 0.000 -0.646) 2.233 2.499 ( 1.788 0.000 1.556) 2.370 2.689 ( 1.176 0.000 -0.192) 1.191 2.815 ( 2.201 0.000 0.078) 2.202 3.038 ( 0.100 0.000 0.079) 0.127 3.104 ( -1.533 -0.000 -0.071) 1.535 3.346 ( -1.953 -0.000 0.195) 1.963 4.503 ( -3.121 -0.000 -3.197) 4.467 5.131 ( 3.052 0.000 -0.558) 3.103 5.301 ( -1.530 -0.000 -6.133) 6.321 5.755 ( 0.267 0.000 0.742) 0.789 5.787 ( 0.266 0.000 -2.793) 2.805 6.415 ( -1.470 -0.000 0.062) 1.471 6.810 ( 3.677 0.000 -1.779) 4.085 7.068 ( -3.081 -0.000 1.719) 3.528 7.470 ( -5.353 -0.000 -3.506) 6.399 7.721 ( 1.838 0.000 0.244) 1.854 8.081 ( 0.666 0.000 -0.246) 0.710 8.321 ( 1.276 0.000 1.946) 2.327 ======================= Grid point 243 (108/242) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -9.562 -2.288 -2.946) 10.264 0.837 ( -9.474 -7.888 -4.030) 12.970 1.142 ( 0.300 1.504 0.003) 1.534 1.160 ( 3.074 -1.011 -1.293) 3.485 1.302 ( 2.063 -6.361 -2.643) 7.191 1.352 ( 2.524 -4.120 -2.595) 5.484 1.486 ( -5.857 0.055 1.072) 5.955 1.515 ( 1.065 -3.764 1.050) 4.050 1.586 ( -8.917 -3.732 0.791) 9.699 1.688 ( -2.237 -3.750 0.023) 4.367 1.822 ( -4.179 -1.562 2.746) 5.238 2.001 ( 0.414 0.698 0.520) 0.964 2.022 ( -0.456 3.618 1.276) 3.863 2.116 ( 3.809 -0.552 1.114) 4.007 2.133 ( -5.871 3.483 -0.940) 6.891 2.245 ( -1.319 0.382 -1.975) 2.406 2.387 ( 1.909 -2.421 -0.797) 3.185 2.452 ( 1.591 -2.476 0.659) 3.016 2.527 ( 1.336 -4.763 -0.016) 4.947 2.699 ( 0.211 -1.103 0.070) 1.125 2.834 ( 2.825 -0.875 0.035) 2.958 3.011 ( -1.475 4.902 -0.481) 5.141 3.113 ( -0.340 -3.798 0.157) 3.816 3.314 ( -2.709 1.825 0.478) 3.301 4.828 ( 3.711 -29.311 -1.641) 29.591 5.227 ( -1.227 -3.638 -2.287) 4.469 5.359 ( 5.328 -10.914 -3.028) 12.517 5.747 ( 0.902 -1.571 -1.345) 2.256 5.920 ( 0.265 -11.041 -0.457) 11.053 6.465 ( -1.942 -5.679 0.153) 6.004 6.847 ( 3.049 -2.191 -1.200) 3.942 7.061 ( -3.207 -0.602 1.402) 3.552 7.411 ( -6.726 1.793 -3.578) 7.827 7.684 ( -2.164 3.645 1.314) 4.438 8.052 ( 1.790 2.872 -1.016) 3.533 8.318 ( 1.804 1.422 1.584) 2.790 ======================= Grid point 244 (109/242) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -1.804 -7.974 3.553) 8.914 0.884 ( -5.810 -1.447 -0.059) 5.988 1.126 ( -2.990 -1.781 0.573) 3.528 1.181 ( 1.822 0.499 0.639) 1.994 1.386 ( 2.244 -2.808 -3.383) 4.936 1.432 ( -0.699 -1.987 1.649) 2.675 1.575 ( -0.231 -9.309 -3.227) 9.855 1.612 ( 1.602 -4.729 1.053) 5.103 1.679 ( -5.666 -8.651 -0.113) 10.342 1.746 ( -2.691 -3.068 -1.511) 4.352 1.855 ( -5.971 -4.063 3.270) 7.928 1.930 ( -2.651 4.957 1.512) 5.821 1.959 ( 1.213 2.716 -0.967) 3.128 2.035 ( -2.971 2.275 -0.811) 3.828 2.128 ( -0.677 1.463 -2.004) 2.572 2.258 ( -1.267 -1.107 -0.685) 1.817 2.407 ( 3.583 -1.095 -0.730) 3.817 2.516 ( 1.060 -1.639 0.577) 2.036 2.646 ( 0.032 -5.588 -0.746) 5.638 2.743 ( -0.565 -2.433 0.829) 2.632 2.881 ( 2.309 2.465 0.222) 3.385 2.906 ( 0.165 -0.630 -0.779) 1.016 3.182 ( -1.210 -2.671 0.172) 2.937 3.259 ( -2.578 1.908 0.676) 3.278 5.266 ( -0.116 -4.061 -0.491) 4.093 5.483 ( 7.948 -29.168 -1.290) 30.259 5.672 ( 6.895 -13.097 0.334) 14.805 5.840 ( 2.319 -9.095 -2.523) 9.720 6.204 ( 0.430 -16.909 0.841) 16.935 6.602 ( -2.100 -8.732 0.175) 8.983 6.913 ( 0.886 -3.064 0.897) 3.313 7.074 ( -3.767 -2.840 -0.296) 4.727 7.339 ( -7.588 0.035 -2.727) 8.063 7.591 ( -5.646 3.314 1.513) 6.719 8.008 ( 3.603 2.438 -1.494) 4.600 8.294 ( 2.011 2.281 1.089) 3.230 ======================= Grid point 245 (110/242) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.669 3.066 2.930) 5.608 0.966 ( -0.259 -9.654 3.408) 10.241 1.150 ( -7.753 -2.644 2.647) 8.608 1.211 ( 2.146 -2.908 -0.323) 3.628 1.431 ( -2.808 -3.183 -1.854) 4.632 1.507 ( 3.419 -3.588 -0.114) 4.957 1.670 ( -1.290 -1.007 -1.490) 2.213 1.712 ( 1.778 -1.841 1.510) 2.972 1.746 ( -3.691 -2.193 0.210) 4.298 1.788 ( -0.445 -0.059 -0.868) 0.977 1.839 ( -1.292 0.537 -0.642) 1.539 1.889 ( -1.579 -1.103 -2.287) 2.990 1.956 ( 0.380 -0.126 2.011) 2.050 2.075 ( 0.424 -5.244 2.542) 5.843 2.092 ( -5.758 -3.757 -4.288) 8.103 2.246 ( -2.972 0.618 -0.574) 3.089 2.419 ( 0.737 1.395 -0.188) 1.589 2.560 ( 0.985 -1.662 -0.770) 2.080 2.694 ( 0.131 1.701 -0.879) 1.919 2.747 ( -1.547 0.923 1.306) 2.225 2.851 ( 2.214 -2.208 -0.099) 3.128 2.990 ( 1.994 -3.753 -0.090) 4.251 3.181 ( -2.381 0.994 0.593) 2.647 3.242 ( -1.605 -0.587 0.375) 1.749 5.372 ( 0.623 -6.448 0.845) 6.533 5.801 ( 2.387 -3.957 -0.109) 4.622 6.060 ( 6.828 -18.334 0.349) 19.567 6.145 ( 7.292 -18.651 -1.625) 20.092 6.558 ( -0.581 -17.845 1.356) 17.905 6.771 ( -2.325 -9.419 -0.453) 9.713 6.968 ( -2.888 -2.776 2.824) 4.901 7.140 ( -2.684 -5.682 -2.055) 6.611 7.343 ( -4.678 -4.157 -1.002) 6.338 7.514 ( -5.993 1.532 0.784) 6.236 7.991 ( 4.085 1.067 -1.200) 4.390 8.255 ( 1.770 2.884 0.726) 3.461 ======================= Grid point 246 (111/242) ======================= q-point: (-0.08 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 4.541 1.963 1.658) 5.218 1.143 ( 0.667 -5.529 2.229) 5.998 1.184 ( -1.803 -3.665 1.427) 4.326 1.269 ( -2.136 -1.657 0.365) 2.728 1.467 ( -2.208 -1.476 -0.355) 2.680 1.552 ( -1.500 0.248 -1.663) 2.253 1.644 ( -2.482 -2.373 0.043) 3.434 1.735 ( 0.300 0.539 -0.854) 1.054 1.770 ( 2.685 0.981 0.323) 2.877 1.794 ( -2.089 -3.071 0.212) 3.720 1.844 ( 1.518 -1.397 -0.410) 2.103 1.922 ( 1.559 -0.940 0.180) 1.829 1.953 ( -0.265 0.129 0.515) 0.593 2.108 ( 2.175 -2.655 -0.208) 3.438 2.180 ( -5.552 0.954 -2.109) 6.015 2.263 ( -0.902 -4.990 1.089) 5.187 2.384 ( -3.937 0.391 -0.071) 3.957 2.547 ( -1.707 2.487 -1.326) 3.295 2.646 ( 1.884 1.809 -0.055) 2.612 2.729 ( 0.277 0.943 0.856) 1.303 2.935 ( 1.877 -4.341 -0.419) 4.748 3.061 ( 1.121 -2.649 0.184) 2.882 3.157 ( -1.577 0.534 0.538) 1.750 3.235 ( -1.824 0.546 0.393) 1.944 5.514 ( 0.437 -7.063 1.381) 7.210 5.851 ( 2.283 -0.339 -0.937) 2.491 6.339 ( 5.324 -8.539 1.770) 10.217 6.537 ( 4.436 -14.934 -1.315) 15.634 6.865 ( -3.248 -13.096 0.591) 13.506 6.943 ( -2.374 -9.393 -0.777) 9.719 7.026 ( -1.587 -4.534 2.446) 5.390 7.239 ( -0.802 -5.093 -1.629) 5.407 7.415 ( -3.099 -3.562 0.548) 4.753 7.484 ( -3.600 -2.056 -0.129) 4.148 8.003 ( 3.149 -0.461 -0.697) 3.258 8.202 ( 1.219 3.432 0.432) 3.667 ======================= Grid point 255 (112/242) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -11.669 -0.000 -6.881) 13.547 0.619 ( -13.587 -0.000 -5.734) 14.747 1.128 ( 2.338 0.000 -3.286) 4.033 1.191 ( 2.873 0.000 -0.544) 2.924 1.213 ( 1.347 0.000 -0.679) 1.508 1.306 ( -9.081 -0.000 -1.755) 9.249 1.400 ( -10.564 -0.000 -0.098) 10.564 1.498 ( 2.913 0.000 4.308) 5.200 1.591 ( -4.654 -0.000 -2.827) 5.445 1.609 ( 0.414 0.000 3.423) 3.448 1.790 ( -3.549 -0.000 1.004) 3.688 1.995 ( 0.159 0.000 2.542) 2.547 2.064 ( -0.494 -0.000 2.157) 2.213 2.128 ( -5.462 -0.000 -2.529) 6.019 2.163 ( -0.837 -0.000 -0.677) 1.076 2.245 ( 1.611 0.000 1.958) 2.535 2.341 ( 2.386 0.000 -1.787) 2.981 2.418 ( 2.395 0.000 -0.785) 2.521 2.514 ( 0.170 0.000 1.554) 1.563 2.699 ( 0.538 0.000 0.060) 0.542 2.850 ( 4.059 0.000 0.444) 4.083 3.040 ( 0.122 0.000 0.065) 0.138 3.082 ( -2.443 -0.000 -0.156) 2.448 3.319 ( -3.024 -0.000 0.252) 3.034 4.452 ( -3.688 -0.000 -2.644) 4.538 5.168 ( 4.239 0.000 -0.835) 4.321 5.273 ( 1.097 0.000 -5.624) 5.730 5.763 ( 0.727 0.000 0.733) 1.032 5.781 ( 0.969 0.000 -2.754) 2.919 6.393 ( -2.724 -0.000 0.074) 2.725 6.836 ( 2.809 0.000 -2.557) 3.799 7.049 ( -2.280 -0.000 2.803) 3.613 7.395 ( -5.285 -0.000 -3.805) 6.512 7.721 ( -2.634 -0.000 1.418) 2.991 8.093 ( 2.096 0.000 -1.021) 2.331 8.346 ( 1.833 0.000 1.684) 2.489 ======================= Grid point 256 (113/242) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -9.000 -6.756 1.222) 11.320 0.710 ( -10.986 -10.710 -3.385) 15.712 1.151 ( 1.851 2.702 -1.457) 3.585 1.181 ( 0.370 -2.633 -1.241) 2.935 1.301 ( -4.026 -7.375 -1.340) 8.508 1.332 ( -7.878 -8.256 -1.032) 11.458 1.386 ( -1.563 -1.591 0.200) 2.239 1.519 ( -3.370 0.489 -1.922) 3.911 1.559 ( 2.192 -3.478 4.111) 5.814 1.671 ( -1.185 -3.262 -0.771) 3.555 1.788 ( -3.868 -1.584 1.862) 4.576 2.002 ( -0.834 1.550 0.013) 1.760 2.022 ( -1.883 3.885 2.377) 4.928 2.063 ( -4.326 2.393 -1.229) 5.094 2.157 ( 2.177 -0.726 0.272) 2.310 2.223 ( -1.388 1.397 -1.242) 2.328 2.402 ( 1.683 -4.095 -0.878) 4.514 2.470 ( 0.810 0.591 0.532) 1.135 2.546 ( 2.841 -6.234 -0.357) 6.861 2.698 ( -0.653 -0.705 0.313) 1.011 2.867 ( 3.016 -0.137 0.426) 3.049 2.992 ( -1.445 4.715 -0.483) 4.956 3.110 ( -0.319 -3.894 0.071) 3.908 3.283 ( -3.318 1.717 0.610) 3.786 4.887 ( 9.401 -34.729 -1.659) 36.017 5.215 ( 0.677 -1.566 -1.387) 2.199 5.405 ( 5.775 -13.980 -3.185) 15.458 5.754 ( 1.578 -1.284 -1.282) 2.405 5.925 ( 0.817 -11.425 -0.041) 11.454 6.441 ( -2.788 -5.960 0.216) 6.583 6.864 ( 1.656 -2.155 -2.431) 3.646 7.038 ( -3.009 0.471 3.033) 4.299 7.326 ( -6.068 2.755 -3.498) 7.526 7.641 ( -7.115 4.820 1.930) 8.808 8.072 ( 2.955 2.436 -1.606) 4.152 8.345 ( 1.833 1.426 1.320) 2.671 ======================= Grid point 257 (114/242) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -2.358 -12.872 4.899) 13.973 0.813 ( -7.702 -4.741 1.941) 9.250 1.111 ( -0.068 1.860 0.500) 1.928 1.200 ( 1.114 -0.008 -0.546) 1.241 1.363 ( -3.387 -2.322 -2.305) 4.710 1.450 ( 2.769 -3.978 0.488) 4.871 1.552 ( -5.198 -15.120 -2.181) 16.137 1.565 ( -2.920 -6.767 -2.341) 7.733 1.681 ( 1.753 -6.488 3.648) 7.647 1.704 ( -3.553 -1.275 -1.661) 4.124 1.817 ( -2.736 -2.198 -0.200) 3.515 1.892 ( -5.370 5.160 1.660) 7.630 1.966 ( 0.287 2.091 -0.499) 2.168 2.015 ( -0.626 0.851 0.335) 1.108 2.120 ( 0.677 3.666 -1.296) 3.947 2.234 ( -2.549 -0.985 -0.692) 2.819 2.443 ( 3.565 -0.612 -0.437) 3.644 2.520 ( -0.713 -2.763 -0.192) 2.860 2.642 ( -0.284 -3.317 -0.832) 3.432 2.747 ( 1.007 -2.376 1.329) 2.902 2.891 ( -0.042 3.175 -0.669) 3.245 2.918 ( 2.249 -2.804 0.083) 3.595 3.169 ( -1.263 -1.820 0.292) 2.234 3.233 ( -2.746 1.243 0.476) 3.052 5.270 ( 0.772 -4.159 0.336) 4.243 5.582 ( 11.690 -26.340 -1.329) 28.849 5.747 ( 7.315 -12.678 -0.836) 14.661 5.853 ( 2.370 -12.027 -3.279) 12.689 6.217 ( 1.166 -16.642 1.457) 16.747 6.578 ( -2.457 -8.773 0.289) 9.115 6.914 ( -1.489 -2.266 0.631) 2.784 7.024 ( -5.781 -2.304 -0.229) 6.227 7.262 ( -4.344 -0.951 -1.351) 4.647 7.522 ( -8.173 2.943 1.308) 8.785 8.041 ( 3.740 2.034 -1.577) 4.540 8.319 ( 1.677 2.356 0.908) 3.031 ======================= Grid point 258 (115/242) ======================= q-point: (-0.08 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.692 0.414 1.654) 1.841 0.977 ( -0.850 -10.614 3.938) 11.352 1.088 ( -5.785 -2.751 2.128) 6.750 1.236 ( 2.670 -2.145 -0.281) 3.436 1.393 ( -2.513 -2.862 -2.021) 4.312 1.540 ( 3.278 -3.575 -0.678) 4.897 1.633 ( -4.704 2.986 -1.083) 5.676 1.695 ( -1.372 -4.318 -0.678) 4.582 1.751 ( 1.119 -3.552 0.591) 3.770 1.785 ( -0.973 -1.145 0.822) 1.713 1.811 ( -1.985 -0.375 -3.790) 4.295 1.873 ( -0.339 -5.845 1.853) 6.141 1.957 ( -1.896 -1.410 0.168) 2.369 2.021 ( -3.223 -1.344 -3.791) 5.154 2.098 ( 1.186 -3.302 3.504) 4.959 2.219 ( -1.690 0.188 -0.185) 1.710 2.420 ( -0.708 3.587 -0.123) 3.658 2.559 ( 0.042 -0.867 -0.978) 1.308 2.678 ( -2.329 -0.408 -0.710) 2.469 2.757 ( 2.047 1.482 1.140) 2.772 2.875 ( 2.245 -1.780 0.053) 2.866 3.006 ( 1.202 -3.792 -0.266) 3.987 3.161 ( -1.723 0.741 0.435) 1.926 3.224 ( -2.078 -0.596 0.216) 2.173 5.385 ( 0.802 -6.527 1.431) 6.730 5.826 ( 2.757 -3.197 -1.225) 4.396 6.133 ( 6.478 -16.895 0.457) 18.100 6.212 ( 7.387 -19.174 -3.727) 20.883 6.558 ( -0.662 -16.478 1.605) 16.569 6.744 ( -2.184 -9.224 -0.515) 9.493 6.938 ( -5.259 -2.897 3.344) 6.872 7.098 ( -2.996 -7.027 -2.701) 8.102 7.311 ( -1.273 -4.810 0.636) 5.016 7.449 ( -6.545 0.705 0.328) 6.591 8.026 ( 3.420 1.110 -1.113) 3.764 8.275 ( 1.283 3.058 0.602) 3.370 ======================= Grid point 268 (116/242) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -12.710 -0.000 -3.961) 13.313 0.450 ( -14.217 -0.000 -2.314) 14.404 1.092 ( -27.433 -0.000 4.995) 27.884 1.137 ( 1.959 0.000 -2.857) 3.464 1.223 ( 3.993 0.000 -1.311) 4.202 1.234 ( 2.676 0.000 0.183) 2.682 1.373 ( 1.085 0.000 -0.881) 1.398 1.537 ( 1.417 0.000 2.323) 2.721 1.537 ( -2.837 -0.000 -3.451) 4.468 1.624 ( -0.070 -0.000 1.918) 1.920 1.758 ( -3.357 -0.000 1.317) 3.606 2.001 ( -0.826 -0.000 1.452) 1.670 2.063 ( -5.021 -0.000 -1.265) 5.178 2.067 ( -1.205 -0.000 2.489) 2.766 2.123 ( -3.904 -0.000 -1.672) 4.247 2.286 ( 3.337 0.000 0.758) 3.422 2.357 ( 2.429 0.000 -2.690) 3.624 2.439 ( 2.254 0.000 -0.656) 2.348 2.528 ( 0.855 0.000 3.832) 3.926 2.698 ( -0.854 -0.000 0.256) 0.891 2.900 ( 4.611 0.000 1.195) 4.764 3.041 ( 0.124 0.000 0.028) 0.127 3.054 ( -2.567 -0.000 -0.331) 2.588 3.287 ( -3.193 -0.000 0.392) 3.217 4.406 ( -3.120 -0.000 -1.762) 3.583 5.210 ( 4.220 0.000 -0.816) 4.299 5.275 ( 2.922 0.000 -2.538) 3.870 5.776 ( 1.206 0.000 0.640) 1.365 5.783 ( 1.539 0.000 -2.227) 2.707 6.360 ( -3.454 -0.000 0.034) 3.454 6.844 ( 1.546 0.000 -3.670) 3.982 7.048 ( -1.034 -0.000 4.684) 4.797 7.333 ( -3.075 -0.000 -3.833) 4.914 7.680 ( -6.065 -0.000 0.919) 6.134 8.114 ( 2.718 0.000 -1.613) 3.160 8.371 ( 1.536 0.000 1.342) 2.040 ======================= Grid point 269 (117/242) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -7.225 -10.457 5.811) 13.976 0.589 ( -9.593 -13.589 0.503) 16.641 1.052 ( -21.860 -10.613 2.256) 24.405 1.174 ( 3.406 2.559 -1.948) 4.684 1.253 ( 1.007 -6.250 0.431) 6.345 1.323 ( 1.725 -4.676 -2.310) 5.493 1.395 ( 0.821 -1.829 1.007) 2.244 1.486 ( -0.709 0.725 -2.862) 3.036 1.591 ( 0.911 -3.850 2.333) 4.593 1.651 ( -1.585 -1.918 -1.801) 3.071 1.758 ( -3.305 -1.899 1.416) 4.066 1.970 ( -5.387 4.823 1.393) 7.364 2.004 ( -0.875 0.914 -0.794) 1.494 2.043 ( -1.088 1.536 1.298) 2.286 2.160 ( -1.284 -3.920 -0.931) 4.229 2.214 ( 0.542 4.978 -0.615) 5.045 2.409 ( 0.564 -4.718 -1.820) 5.088 2.480 ( 0.995 2.506 1.260) 2.976 2.581 ( 3.545 -7.097 -0.284) 7.939 2.687 ( -1.618 -0.972 0.495) 1.951 2.897 ( 1.869 1.864 0.607) 2.709 2.982 ( -0.075 3.420 -0.060) 3.422 3.108 ( -0.089 -3.809 0.100) 3.812 3.252 ( -3.018 1.667 0.611) 3.502 5.015 ( 17.132 -38.732 -6.082) 42.787 5.237 ( 3.665 -1.617 3.235) 5.149 5.447 ( 4.532 -15.165 -2.927) 16.096 5.769 ( 2.288 -0.826 -1.073) 2.658 5.938 ( 1.448 -12.137 1.031) 12.266 6.410 ( -3.073 -6.391 0.193) 7.094 6.862 ( 0.597 -1.903 -3.461) 3.995 7.017 ( -4.890 3.398 4.608) 7.530 7.260 ( -3.533 3.132 -2.601) 5.390 7.554 ( -10.626 5.281 1.329) 11.940 8.096 ( 2.797 2.013 -1.742) 3.861 8.367 ( 1.298 1.422 1.034) 2.185 ======================= Grid point 270 (118/242) ======================= q-point: (-0.08 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -7.950 -11.571 3.136) 14.385 0.766 ( -5.041 -10.572 6.016) 13.167 1.118 ( 0.548 4.426 -0.773) 4.526 1.202 ( 0.953 -4.527 -0.391) 4.643 1.318 ( -3.090 -3.948 -1.066) 5.126 1.471 ( -4.206 -9.074 0.435) 10.011 1.489 ( 1.994 -7.839 -1.567) 8.239 1.553 ( 0.102 -8.327 -1.121) 8.403 1.660 ( -3.077 -0.297 -1.963) 3.662 1.709 ( 0.588 -6.974 1.738) 7.211 1.789 ( -1.980 -1.551 -1.522) 2.940 1.844 ( -4.806 4.288 2.361) 6.860 1.960 ( -0.328 2.504 -1.217) 2.803 2.016 ( -0.179 1.018 0.435) 1.121 2.132 ( 1.849 3.401 0.640) 3.924 2.202 ( -2.488 -1.135 -0.918) 2.885 2.471 ( 1.212 0.301 -0.401) 1.312 2.507 ( 0.071 -3.898 -0.620) 3.948 2.627 ( -2.031 -1.191 -0.533) 2.414 2.779 ( 3.591 -2.250 1.525) 4.503 2.883 ( -0.884 -0.832 -1.116) 1.649 2.942 ( 1.743 -0.174 0.427) 1.803 3.160 ( -0.643 -1.043 0.427) 1.298 3.207 ( -2.504 0.775 0.162) 2.626 5.283 ( 0.990 -4.432 1.087) 4.670 5.706 ( 12.105 -18.222 -1.943) 21.962 5.818 ( 7.467 -12.889 -1.977) 15.026 5.859 ( 2.097 -16.542 -4.791) 17.349 6.244 ( 2.398 -16.031 2.829) 16.455 6.554 ( -2.306 -8.925 0.242) 9.222 6.883 ( -6.333 -0.044 2.614) 6.851 6.953 ( -5.351 -3.855 -2.353) 7.003 7.241 ( 0.041 -2.022 0.869) 2.202 7.437 ( -8.280 1.991 0.631) 8.540 8.070 ( 2.931 1.772 -1.451) 3.719 8.337 ( 1.016 2.405 0.732) 2.711 ======================= Grid point 281 (119/242) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -11.120 -0.000 2.962) 11.508 0.325 ( -10.406 -0.000 8.701) 13.564 0.814 ( -30.378 -0.000 9.705) 31.891 1.148 ( 1.966 0.000 -1.256) 2.333 1.263 ( 4.753 0.000 -1.790) 5.079 1.265 ( 2.745 0.000 0.289) 2.760 1.388 ( 1.583 0.000 1.468) 2.159 1.504 ( -0.450 -0.000 -3.184) 3.216 1.547 ( -0.166 -0.000 -0.611) 0.633 1.623 ( -0.903 -0.000 -0.063) 0.906 1.730 ( -3.332 -0.000 1.453) 3.635 1.991 ( -1.808 -0.000 0.808) 1.980 2.017 ( -3.307 -0.000 1.032) 3.464 2.055 ( -2.579 -0.000 0.510) 2.629 2.077 ( -3.420 -0.000 -1.698) 3.818 2.313 ( 2.204 0.000 -1.678) 2.770 2.375 ( 3.762 0.000 -2.356) 4.439 2.459 ( 1.858 0.000 -0.349) 1.891 2.574 ( 3.285 0.000 7.541) 8.226 2.684 ( -1.892 -0.000 0.503) 1.958 2.956 ( 4.471 0.000 2.252) 5.006 3.027 ( -2.005 -0.000 -0.554) 2.080 3.042 ( 0.100 0.000 -0.018) 0.101 3.258 ( -2.701 -0.000 0.455) 2.739 4.373 ( -1.958 -0.000 -0.863) 2.140 5.248 ( 3.509 0.000 -0.368) 3.528 5.327 ( 6.972 0.000 6.523) 9.548 5.793 ( 1.395 0.000 0.475) 1.474 5.794 ( 1.866 0.000 -1.367) 2.314 6.323 ( -3.401 -0.000 -0.104) 3.403 6.840 ( 1.272 0.000 -4.061) 4.256 7.073 ( 1.419 0.000 6.345) 6.502 7.296 ( -0.896 -0.000 -4.389) 4.479 7.594 ( -10.398 -0.000 -2.662) 10.734 8.133 ( 2.220 0.000 -2.063) 3.031 8.390 ( 0.902 0.000 1.006) 1.351 ======================= Grid point 282 (120/242) ======================= q-point: (-0.08 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -7.052 -11.231 5.436) 14.332 0.529 ( -7.375 -12.550 9.171) 17.204 0.847 ( -17.829 -18.396 8.117) 26.873 1.207 ( 4.455 2.344 -2.390) 5.573 1.271 ( 1.717 -7.058 -0.083) 7.264 1.331 ( 1.474 -1.640 -1.876) 2.895 1.405 ( -0.188 -0.880 1.825) 2.035 1.478 ( 1.450 0.107 -3.298) 3.604 1.596 ( -0.611 -4.421 -0.907) 4.554 1.623 ( -1.906 -0.831 -1.839) 2.776 1.732 ( -2.607 -2.374 1.346) 3.775 1.923 ( -4.674 5.262 1.926) 7.297 1.995 ( -0.130 0.221 -0.789) 0.830 2.032 ( -2.157 0.528 0.850) 2.378 2.139 ( -1.455 -4.466 0.271) 4.705 2.218 ( 0.840 5.187 -1.689) 5.519 2.405 ( 0.607 -2.368 -1.733) 2.996 2.502 ( 1.548 2.043 1.484) 2.962 2.611 ( 2.118 -5.858 -0.313) 6.236 2.672 ( -1.540 -2.944 0.490) 3.359 2.911 ( 0.594 4.078 0.579) 4.162 2.990 ( 1.109 2.049 0.694) 2.431 3.110 ( 0.419 -3.733 0.370) 3.775 3.226 ( -2.401 1.738 0.268) 2.976 5.125 ( 9.927 -25.760 -14.415) 31.143 5.369 ( 16.516 -15.149 2.209) 22.520 5.486 ( 6.128 -11.952 2.885) 13.738 5.790 ( 2.357 -0.287 -0.874) 2.530 5.973 ( 3.948 -13.627 3.765) 14.678 6.380 ( -2.615 -6.839 0.008) 7.322 6.854 ( 1.211 -1.571 -3.472) 3.998 6.953 ( -12.554 9.570 4.675) 16.463 7.230 ( -0.930 0.859 -0.185) 1.279 7.440 ( -10.554 3.109 0.398) 11.010 8.114 ( 1.985 1.583 -1.631) 3.018 8.381 ( 0.610 1.406 0.801) 1.729 ======================= Grid point 294 (121/242) ======================= q-point: (-0.08 -0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( -2.266 -0.000 13.646) 13.833 0.326 ( -3.348 -0.000 18.408) 18.710 0.575 ( -23.430 -0.000 19.088) 30.221 1.168 ( 2.226 0.000 0.572) 2.298 1.290 ( 1.528 0.000 0.155) 1.536 1.302 ( 4.386 0.000 -3.251) 5.459 1.414 ( 0.885 0.000 2.327) 2.490 1.501 ( 2.098 0.000 -2.856) 3.544 1.528 ( -1.452 -0.000 -3.973) 4.230 1.604 ( -1.854 -0.000 -1.705) 2.518 1.698 ( -3.767 -0.000 1.777) 4.165 1.972 ( -2.329 -0.000 0.561) 2.396 2.006 ( -0.728 -0.000 3.339) 3.417 2.017 ( -4.115 -0.000 -1.812) 4.496 2.040 ( -1.704 -0.000 -0.382) 1.746 2.318 ( 0.839 0.000 -3.615) 3.711 2.421 ( 6.856 0.000 -3.298) 7.608 2.475 ( 1.224 0.000 -0.018) 1.225 2.631 ( -1.628 -0.000 2.515) 2.996 2.704 ( 7.198 0.000 3.671) 8.080 2.999 ( -0.419 -0.000 0.231) 0.478 3.021 ( 2.831 0.000 2.119) 3.536 3.043 ( 0.044 0.000 -0.059) 0.074 3.234 ( -1.943 -0.000 0.138) 1.947 4.357 ( -0.505 -0.000 -0.120) 0.519 5.279 ( 2.371 0.000 0.327) 2.394 5.563 ( 31.217 0.000 21.039) 37.645 5.808 ( 0.882 0.000 0.308) 0.934 5.809 ( 1.732 0.000 -0.549) 1.817 6.291 ( -2.292 -0.000 -0.332) 2.316 6.842 ( 2.420 0.000 -3.383) 4.160 7.124 ( -1.158 -0.000 -0.235) 1.181 7.240 ( -7.231 -0.000 -5.151) 8.878 7.428 ( -14.284 -0.000 -3.092) 14.614 8.139 ( 0.880 0.000 -2.228) 2.396 8.399 ( 0.185 0.000 0.752) 0.775 ======================= Grid point 295 (122/242) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -5.159 -0.000 12.477) 13.502 0.653 ( 5.335 0.000 13.600) 14.609 1.100 ( 0.281 0.000 19.346) 19.348 1.225 ( -0.285 -0.000 -2.052) 2.071 1.251 ( 5.781 0.000 -1.410) 5.951 1.291 ( -1.138 -0.000 0.241) 1.163 1.339 ( 0.301 0.000 -6.273) 6.280 1.346 ( 1.265 0.000 -4.646) 4.815 1.518 ( -3.171 -0.000 -2.577) 4.086 1.584 ( 0.573 0.000 6.047) 6.074 1.782 ( 1.958 0.000 4.952) 5.325 1.920 ( -1.751 -0.000 -2.355) 2.934 1.973 ( -4.250 -0.000 0.235) 4.256 2.043 ( 2.025 0.000 -0.133) 2.029 2.111 ( 1.163 0.000 3.173) 3.379 2.162 ( -1.024 -0.000 -6.961) 7.036 2.313 ( 2.790 0.000 -9.462) 9.865 2.488 ( 0.372 0.000 0.143) 0.399 2.599 ( -3.481 -0.000 0.027) 3.481 2.710 ( 0.320 0.000 -0.982) 1.033 3.016 ( -1.462 -0.000 1.651) 2.205 3.041 ( -0.034 -0.000 -0.091) 0.097 3.082 ( 1.607 0.000 0.563) 1.703 3.227 ( 0.149 0.000 0.046) 0.156 4.370 ( 1.089 0.000 0.426) 1.170 5.320 ( 0.851 0.000 0.892) 1.232 5.816 ( -0.414 -0.000 0.217) 0.467 5.818 ( 0.803 0.000 -0.057) 0.805 6.108 ( 13.776 0.000 1.484) 13.856 6.263 ( -0.170 -0.000 -0.576) 0.601 6.747 ( -16.543 -0.000 0.698) 16.558 6.859 ( 3.347 0.000 -0.856) 3.454 7.325 ( 2.527 0.000 1.095) 2.754 7.383 ( 0.634 0.000 0.564) 0.848 8.104 ( 0.806 0.000 -1.515) 1.716 8.415 ( -0.346 -0.000 0.595) 0.689 ======================= Grid point 296 (123/242) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 1.131 -1.492 10.614) 10.778 0.758 ( 1.843 -2.655 13.630) 14.008 1.072 ( -2.322 2.966 -2.998) 4.814 1.233 ( -2.538 2.413 -1.293) 3.733 1.282 ( 4.567 -2.074 2.672) 5.684 1.336 ( 4.333 -0.805 -6.980) 8.255 1.357 ( 1.130 -9.761 -1.028) 9.880 1.449 ( -0.332 -1.823 2.221) 2.892 1.512 ( 1.260 -8.277 3.080) 8.921 1.653 ( 0.211 -3.949 4.800) 6.219 1.797 ( 0.601 0.471 3.931) 4.004 1.873 ( -1.484 2.943 -1.507) 3.624 1.952 ( -2.466 0.850 -1.861) 3.205 2.000 ( 1.235 2.814 -0.470) 3.109 2.123 ( -0.020 0.710 -3.069) 3.150 2.212 ( 2.408 -2.897 0.092) 3.768 2.317 ( 2.918 -4.325 -5.532) 7.604 2.537 ( -0.827 1.640 0.586) 1.928 2.614 ( -1.114 -10.156 -0.564) 10.233 2.665 ( 0.135 3.378 0.504) 3.418 2.958 ( -1.012 3.266 1.503) 3.735 3.010 ( -0.152 2.733 -0.046) 2.738 3.144 ( -0.019 -3.105 0.412) 3.132 3.190 ( 0.707 2.566 -0.017) 2.661 4.842 ( -0.771 -33.951 -5.940) 34.475 5.409 ( -1.012 -6.672 0.397) 6.760 5.729 ( 1.179 1.215 -0.149) 1.699 5.794 ( -0.565 1.566 -0.588) 1.766 6.269 ( -2.464 -8.547 0.770) 8.929 6.365 ( 4.425 -8.293 -0.703) 9.426 6.677 ( -11.020 -1.353 3.462) 11.630 6.891 ( 8.929 -0.085 -1.027) 8.988 7.331 ( 1.565 0.912 1.571) 2.398 7.355 ( 1.483 1.844 0.306) 2.386 8.094 ( 0.368 0.940 -1.480) 1.792 8.399 ( -0.637 1.481 0.596) 1.718 ======================= Grid point 297 (124/242) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 1.095 -4.056 5.489) 6.912 0.845 ( -0.407 -3.579 11.470) 12.022 0.981 ( -0.645 3.174 -7.175) 7.872 1.209 ( -1.971 -1.593 1.320) 2.857 1.315 ( 1.451 0.746 0.337) 1.666 1.373 ( 4.832 -2.729 -7.430) 9.274 1.483 ( 1.846 -2.875 -4.289) 5.483 1.589 ( 0.597 -11.408 -0.924) 11.461 1.735 ( 0.365 -2.737 3.849) 4.737 1.768 ( -2.099 2.082 1.750) 3.436 1.778 ( 3.399 -7.685 6.277) 10.489 1.819 ( -0.037 -2.339 1.934) 3.035 1.907 ( -1.007 1.936 -2.906) 3.634 1.978 ( 1.851 -0.789 -0.631) 2.109 2.112 ( 1.123 -0.108 -2.179) 2.454 2.290 ( 3.496 -3.847 0.313) 5.208 2.426 ( 3.072 -3.000 -2.084) 4.773 2.524 ( -2.377 0.168 0.036) 2.383 2.610 ( 1.809 1.515 -0.093) 2.361 2.786 ( -3.938 -6.587 0.631) 7.700 2.924 ( 0.770 -0.360 0.186) 0.870 2.937 ( -1.394 3.184 -0.069) 3.477 3.146 ( 1.177 2.102 -0.040) 2.409 3.188 ( 0.298 -1.088 0.266) 1.159 5.356 ( -1.786 -12.721 2.655) 13.118 5.544 ( -2.081 -13.997 -6.888) 15.738 5.797 ( -1.681 -4.960 -1.481) 5.442 5.899 ( -0.592 -15.421 -0.811) 15.453 6.425 ( -5.209 -9.528 0.850) 10.892 6.552 ( 1.611 -8.214 0.094) 8.371 6.719 ( -1.121 -5.772 2.468) 6.377 6.959 ( 7.378 -2.968 -1.539) 8.100 7.317 ( 2.530 0.782 1.911) 3.266 7.368 ( 1.157 -1.506 0.163) 1.906 8.068 ( -0.398 1.323 -1.297) 1.895 8.355 ( -0.959 2.595 0.550) 2.820 ======================= Grid point 298 (125/242) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -6.314 -0.113 0.404) 6.328 0.923 ( -0.605 -4.654 3.277) 5.724 1.018 ( 3.589 -5.430 1.121) 6.605 1.247 ( 0.191 -1.652 0.643) 1.783 1.329 ( 2.409 -1.700 1.076) 3.138 1.453 ( 4.525 -3.949 -6.329) 8.725 1.530 ( 3.278 -1.084 -1.682) 3.841 1.676 ( -1.642 3.006 -0.644) 3.485 1.748 ( -1.506 -1.309 0.858) 2.172 1.780 ( 0.680 -4.776 0.405) 4.841 1.847 ( -1.196 -3.579 1.760) 4.163 1.855 ( 0.587 2.023 -2.368) 3.169 1.961 ( 1.124 -2.927 0.114) 3.137 2.096 ( -0.359 -8.185 1.170) 8.276 2.130 ( 5.774 -0.582 -0.225) 5.808 2.344 ( 0.172 1.642 2.317) 2.845 2.424 ( 1.297 1.911 0.347) 2.335 2.526 ( 0.687 -0.947 -1.426) 1.844 2.615 ( 2.275 -0.068 -1.166) 2.558 2.840 ( -3.640 -0.853 1.399) 3.992 2.862 ( -1.543 -0.250 -0.393) 1.612 3.002 ( -0.228 -4.140 -0.410) 4.167 3.121 ( 1.227 1.032 -0.084) 1.605 3.202 ( 1.233 -0.046 0.228) 1.255 5.465 ( -2.143 -4.174 2.898) 5.515 5.717 ( -0.508 -4.353 -3.351) 5.517 6.073 ( -2.280 -20.114 -3.913) 20.618 6.192 ( -4.099 -13.930 -0.213) 14.522 6.609 ( -1.048 -10.970 0.925) 11.059 6.715 ( -0.430 -8.842 -0.225) 8.855 6.883 ( 2.539 -8.728 2.363) 9.391 7.078 ( 4.615 -5.920 -1.954) 7.756 7.342 ( 4.179 -0.909 1.303) 4.471 7.418 ( 0.180 -3.145 0.242) 3.159 8.037 ( -1.273 0.941 -0.981) 1.863 8.292 ( -1.149 3.299 0.451) 3.522 ======================= Grid point 299 (126/242) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -6.566 -2.362 0.901) 7.036 1.021 ( -0.735 -3.909 0.289) 3.988 1.141 ( -0.046 -5.093 0.966) 5.184 1.277 ( 3.513 -0.533 0.755) 3.633 1.400 ( 3.327 -2.977 1.106) 4.599 1.495 ( 7.422 1.978 -1.574) 7.841 1.588 ( 0.188 -5.115 -1.625) 5.370 1.663 ( -1.650 -2.133 -1.409) 3.043 1.755 ( -0.548 -1.206 1.143) 1.750 1.818 ( 0.084 1.056 -1.723) 2.023 1.852 ( 0.508 -2.087 0.532) 2.212 1.916 ( -1.166 -2.925 -0.092) 3.151 1.987 ( -3.060 -0.407 -0.179) 3.092 2.137 ( 1.508 1.032 -1.414) 2.311 2.229 ( 3.869 -2.064 1.418) 4.609 2.276 ( 1.291 3.554 0.837) 3.873 2.390 ( -0.672 1.600 0.483) 1.802 2.535 ( 3.435 1.394 -0.657) 3.765 2.632 ( 0.829 -0.635 -0.533) 1.173 2.809 ( -4.050 -0.426 0.828) 4.156 2.931 ( -0.392 -4.283 -0.240) 4.307 3.065 ( -0.523 -2.826 0.050) 2.874 3.117 ( 0.608 -0.090 0.055) 0.617 3.206 ( 1.906 0.631 0.306) 2.031 5.551 ( -1.941 -5.082 1.833) 5.740 5.772 ( 0.134 -2.131 -2.010) 2.933 6.347 ( -5.045 -9.026 -0.127) 10.341 6.447 ( -1.206 -14.504 -1.212) 14.604 6.830 ( 2.714 -9.824 1.081) 10.249 6.906 ( 0.633 -10.318 -1.065) 10.392 7.066 ( 1.083 -7.818 2.243) 8.205 7.210 ( 1.704 -5.557 -1.848) 6.099 7.392 ( 4.443 -1.406 0.622) 4.701 7.491 ( -0.264 -4.096 0.233) 4.111 8.018 ( -1.828 -0.151 -0.575) 1.922 8.218 ( -1.006 3.692 0.289) 3.838 ======================= Grid point 300 (127/242) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -4.367 -3.686 1.372) 5.877 1.049 ( -0.393 0.138 -1.172) 1.244 1.211 ( -0.875 -2.447 0.272) 2.613 1.315 ( 4.006 -0.785 0.672) 4.138 1.451 ( 1.268 -0.834 0.384) 1.565 1.532 ( 5.262 -2.300 -0.120) 5.744 1.665 ( -1.463 -1.055 -1.170) 2.150 1.703 ( 0.287 -4.079 0.252) 4.097 1.804 ( -1.205 -1.310 -0.781) 1.943 1.812 ( 2.490 -1.371 1.370) 3.156 1.884 ( -0.941 -1.058 0.000) 1.416 1.924 ( -1.758 0.712 -1.936) 2.710 1.981 ( -1.703 -1.024 0.866) 2.167 2.064 ( -0.691 4.624 -0.042) 4.675 2.243 ( -1.776 0.152 1.122) 2.106 2.286 ( 8.501 -0.562 0.526) 8.536 2.372 ( -2.368 0.012 -2.014) 3.108 2.499 ( 3.440 3.523 0.231) 4.929 2.629 ( -1.930 0.399 -0.642) 2.072 2.817 ( -1.694 -1.050 1.321) 2.391 2.999 ( -0.435 -2.639 -0.517) 2.724 3.110 ( -1.219 -1.752 -0.115) 2.137 3.132 ( 1.146 -1.159 0.398) 1.678 3.198 ( 1.513 1.059 0.544) 1.925 5.649 ( -0.654 -5.140 0.911) 5.260 5.786 ( -0.288 0.474 -1.080) 1.215 6.460 ( -3.544 -5.147 2.461) 6.716 6.665 ( 0.595 -7.606 -1.868) 7.854 7.010 ( 2.190 -6.534 1.390) 7.030 7.093 ( 2.068 -7.418 -1.067) 7.774 7.195 ( -0.748 -4.659 1.183) 4.865 7.282 ( -0.121 -1.398 -1.481) 2.040 7.439 ( 2.801 -1.093 0.298) 3.022 7.566 ( -0.195 -3.139 0.278) 3.157 8.026 ( -1.620 -1.715 -0.188) 2.367 8.141 ( -0.365 3.663 0.073) 3.682 ======================= Grid point 301 (128/242) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 1.150 0.370 1.183) 1.690 1.052 ( -2.408 -2.412 -1.599) 3.765 1.244 ( 0.001 -1.129 -0.030) 1.130 1.334 ( 1.379 0.349 -0.641) 1.560 1.467 ( 0.437 -0.246 0.498) 0.707 1.579 ( -0.162 -0.040 -0.079) 0.184 1.664 ( 0.145 -0.114 -1.040) 1.056 1.769 ( -1.836 -1.353 2.117) 3.112 1.822 ( 1.223 -0.552 0.520) 1.440 1.833 ( 1.598 1.196 0.315) 2.020 1.867 ( -0.220 1.199 -0.645) 1.379 1.896 ( -0.948 -0.612 -2.474) 2.719 1.989 ( -0.211 0.772 1.098) 1.358 2.045 ( 0.790 -2.439 -0.198) 2.572 2.246 ( -1.788 -1.055 0.076) 2.078 2.292 ( -2.639 2.805 1.559) 4.154 2.368 ( 4.987 -0.343 -2.234) 5.475 2.468 ( 0.354 0.264 0.206) 0.488 2.608 ( -1.882 0.086 -0.669) 2.000 2.817 ( 0.383 1.299 2.037) 2.446 3.024 ( -0.239 -0.193 -0.646) 0.715 3.122 ( -0.256 -0.165 -0.213) 0.372 3.154 ( 0.261 0.130 0.167) 0.336 3.197 ( -0.150 -0.740 0.644) 0.993 5.737 ( -0.103 -1.145 -0.418) 1.223 5.752 ( 0.203 0.200 -0.048) 0.289 6.523 ( -0.617 -1.514 2.780) 3.225 6.743 ( 0.616 -0.577 -2.455) 2.596 7.098 ( -1.239 -1.328 1.890) 2.621 7.175 ( 0.529 0.617 -0.469) 0.938 7.247 ( -0.656 1.353 -0.782) 1.694 7.272 ( 1.437 -0.650 -0.708) 1.729 7.459 ( -0.210 -0.001 0.240) 0.319 7.598 ( -0.117 0.110 0.352) 0.387 8.066 ( -0.092 -1.657 -0.106) 1.663 8.077 ( 0.128 1.581 0.017) 1.586 ======================= Grid point 302 (129/242) ======================= q-point: (-0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 4.695 1.667 0.600) 5.019 1.101 ( -3.422 -3.612 -2.759) 5.689 1.254 ( 1.871 0.631 -0.348) 2.005 1.311 ( -3.163 1.665 0.612) 3.627 1.466 ( -0.155 0.667 -0.526) 0.864 1.528 ( -4.924 2.661 -0.447) 5.615 1.664 ( 1.192 0.917 -1.138) 1.886 1.731 ( -1.087 2.015 -0.116) 2.293 1.811 ( 3.575 1.198 1.488) 4.053 1.830 ( 0.933 2.073 -0.946) 2.462 1.865 ( -0.611 0.149 -0.413) 0.753 1.922 ( -0.108 -1.197 -0.816) 1.453 1.980 ( 0.769 0.687 1.361) 1.708 2.070 ( -2.799 -1.098 -1.602) 3.407 2.238 ( 1.482 2.106 2.121) 3.336 2.256 ( -3.088 -1.254 -0.081) 3.334 2.381 ( 0.217 -0.184 -1.588) 1.613 2.485 ( -1.663 -1.448 1.078) 2.455 2.615 ( -0.681 -1.448 -0.340) 1.636 2.788 ( 2.715 2.406 2.141) 4.212 3.000 ( 0.181 2.417 -0.589) 2.494 3.110 ( 0.714 1.620 -0.020) 1.771 3.147 ( -1.094 -0.037 -0.026) 1.095 3.214 ( -1.552 -1.031 0.053) 1.864 5.663 ( -0.383 4.847 0.674) 4.908 5.805 ( 1.427 -1.632 -1.807) 2.823 6.516 ( 2.239 3.395 1.413) 4.305 6.686 ( 0.192 5.988 -3.117) 6.753 7.039 ( -5.314 5.984 1.253) 8.101 7.079 ( -0.612 7.701 -1.474) 7.864 7.182 ( 1.373 4.376 1.768) 4.915 7.278 ( 1.093 2.243 -1.537) 2.931 7.441 ( -2.854 0.820 0.284) 2.983 7.559 ( -0.199 3.807 0.548) 3.851 8.029 ( 1.799 1.954 -0.315) 2.674 8.139 ( 0.271 -3.939 0.142) 3.951 ======================= Grid point 303 (130/242) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 4.803 -0.537 -1.194) 4.979 1.108 ( -4.774 0.925 -1.335) 5.042 1.198 ( 1.221 6.637 -1.598) 6.935 1.275 ( -2.824 -0.245 2.107) 3.532 1.387 ( -3.700 4.599 -2.211) 6.303 1.505 ( -5.291 -2.444 -0.899) 5.897 1.635 ( 3.630 2.733 -0.467) 4.568 1.691 ( -2.177 2.115 -2.982) 4.255 1.776 ( 0.499 3.275 -0.089) 3.314 1.802 ( 2.312 0.525 -0.462) 2.415 1.846 ( 0.661 1.036 0.424) 1.300 1.908 ( -0.844 1.724 -1.459) 2.411 1.975 ( 0.322 0.591 1.119) 1.306 2.062 ( -2.629 1.874 0.936) 3.361 2.202 ( 1.544 2.609 2.367) 3.846 2.295 ( -2.254 -4.316 0.110) 4.870 2.363 ( -1.187 2.797 2.013) 3.645 2.506 ( -1.874 -2.332 -0.363) 3.014 2.639 ( -0.876 -0.984 -0.543) 1.425 2.784 ( 3.784 0.024 1.390) 4.031 2.938 ( 0.644 3.601 -0.423) 3.683 3.069 ( 0.427 2.749 -0.119) 2.785 3.144 ( -1.065 -0.223 -0.498) 1.197 3.217 ( -2.215 -0.298 -0.104) 2.237 5.559 ( 0.278 5.839 1.685) 6.084 5.811 ( 1.251 1.081 -3.389) 3.771 6.410 ( 4.234 9.538 -0.660) 10.456 6.490 ( 1.318 13.647 -3.813) 14.231 6.845 ( -3.923 10.534 1.299) 11.315 6.892 ( -1.030 9.910 -1.580) 10.088 7.088 ( -1.502 5.674 3.010) 6.596 7.179 ( -0.529 7.274 -2.104) 7.591 7.405 ( -3.901 0.891 0.280) 4.011 7.464 ( -0.370 5.264 1.122) 5.395 8.016 ( 2.368 0.427 -0.511) 2.460 8.221 ( 0.693 -3.872 0.200) 3.938 ======================= Grid point 304 (131/242) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 2.100 1.681 -1.420) 3.042 0.994 ( -1.277 8.578 -1.646) 8.827 1.063 ( -9.605 1.730 2.851) 10.168 1.256 ( 0.707 2.358 0.394) 2.493 1.308 ( -0.822 1.135 -2.590) 2.944 1.500 ( -4.097 1.651 -4.483) 6.293 1.566 ( -0.431 2.822 -2.137) 3.566 1.673 ( 1.635 0.062 -1.939) 2.537 1.720 ( 0.804 3.406 2.204) 4.136 1.796 ( 1.420 4.945 1.892) 5.481 1.813 ( 0.411 0.086 0.401) 0.580 1.859 ( -3.651 2.570 -2.148) 4.954 1.957 ( -2.122 -0.104 -0.226) 2.136 1.974 ( 2.289 5.509 3.211) 6.774 2.175 ( -2.236 0.526 0.475) 2.346 2.274 ( 1.213 4.777 5.194) 7.160 2.396 ( -1.725 -5.300 -0.501) 5.596 2.543 ( 0.881 -0.718 -0.799) 1.389 2.624 ( -2.383 1.464 -1.361) 3.110 2.821 ( 2.636 -1.435 1.705) 3.452 2.886 ( 1.459 1.441 -0.754) 2.185 3.003 ( 0.283 4.302 -0.477) 4.338 3.144 ( -1.453 -0.826 -0.632) 1.787 3.204 ( -1.739 0.414 0.090) 1.790 5.452 ( 0.581 5.597 3.013) 6.383 5.766 ( 1.594 3.242 -4.770) 5.983 6.131 ( 3.134 20.110 -5.825) 21.170 6.197 ( 4.335 16.370 -0.223) 16.935 6.604 ( 0.666 12.845 1.783) 12.985 6.705 ( -1.535 8.079 -0.705) 8.253 6.967 ( -6.059 4.879 3.385) 8.484 7.002 ( -0.462 8.851 -2.978) 9.350 7.364 ( 1.101 3.486 2.161) 4.247 7.380 ( -5.533 0.750 -0.029) 5.584 8.032 ( 2.326 -0.784 -0.793) 2.579 8.296 ( 0.602 -3.337 0.309) 3.405 ======================= Grid point 305 (132/242) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -2.741 8.983 3.975) 10.199 0.835 ( -6.641 5.874 5.784) 10.586 1.076 ( -3.643 -4.263 -1.462) 5.795 1.222 ( 2.311 1.190 -1.605) 3.055 1.291 ( 0.230 1.072 -0.204) 1.115 1.391 ( -1.511 5.420 -5.111) 7.602 1.499 ( -0.936 4.367 -3.923) 5.944 1.577 ( 2.594 9.740 4.191) 10.916 1.631 ( 1.746 8.525 3.967) 9.564 1.694 ( -1.591 4.110 1.301) 4.595 1.805 ( -0.225 2.110 2.447) 3.239 1.828 ( -3.018 -4.285 0.026) 5.241 1.941 ( 0.992 -0.816 -1.236) 1.783 1.981 ( -1.315 -2.663 -1.601) 3.374 2.152 ( -3.126 0.462 -1.273) 3.407 2.220 ( 1.986 2.489 2.635) 4.133 2.428 ( -1.682 3.016 -1.790) 3.890 2.530 ( 2.541 1.598 0.102) 3.004 2.597 ( -1.534 -1.803 0.045) 2.368 2.828 ( 1.678 8.183 -1.234) 8.444 2.876 ( 0.727 -2.591 2.047) 3.381 2.954 ( 0.412 -1.966 -0.423) 2.053 3.162 ( -1.331 -1.596 -0.348) 2.107 3.184 ( -0.849 1.039 0.288) 1.372 5.346 ( 0.376 8.959 2.980) 9.449 5.607 ( 4.574 16.548 -10.068) 19.903 5.797 ( 2.829 8.249 -1.387) 8.830 5.875 ( 2.818 15.705 0.495) 15.963 6.380 ( 6.403 12.174 3.055) 14.090 6.534 ( -2.391 8.706 0.203) 9.031 6.851 ( 2.481 5.017 -2.940) 6.322 6.871 ( -10.444 1.086 2.576) 10.811 7.314 ( 1.413 2.353 2.816) 3.932 7.360 ( -5.662 -1.266 -0.334) 5.812 8.063 ( 1.854 -1.299 -1.104) 2.519 8.358 ( 0.289 -2.578 0.438) 2.631 ======================= Grid point 306 (133/242) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -1.799 2.167 11.528) 11.867 0.714 ( -5.203 5.124 11.341) 13.489 1.091 ( -2.898 2.353 6.659) 7.634 1.206 ( 6.231 1.332 0.143) 6.374 1.273 ( -1.722 -2.013 -1.090) 2.865 1.321 ( 3.146 4.021 -2.209) 5.563 1.357 ( -0.511 5.780 -3.411) 6.730 1.435 ( -0.249 5.349 1.723) 5.625 1.519 ( -1.052 1.817 -1.453) 2.554 1.628 ( 0.210 3.658 4.167) 5.549 1.775 ( 0.457 1.189 3.026) 3.283 1.897 ( -2.114 -3.396 -1.238) 4.187 1.980 ( -0.134 -2.573 -1.251) 2.865 2.006 ( -3.203 -0.609 -0.036) 3.260 2.137 ( -0.012 -1.475 -3.125) 3.456 2.192 ( 0.740 3.194 1.000) 3.427 2.323 ( 0.818 3.148 -5.358) 6.268 2.540 ( -0.291 -2.857 0.628) 2.940 2.618 ( 0.909 9.526 -0.636) 9.590 2.664 ( -0.490 -2.078 0.321) 2.159 2.952 ( 0.685 -3.940 1.766) 4.372 3.011 ( 0.168 -2.498 0.004) 2.504 3.136 ( 0.960 3.372 0.682) 3.571 3.197 ( -1.732 -2.174 -0.315) 2.797 4.871 ( 1.393 34.823 -7.949) 35.745 5.405 ( 1.508 7.546 0.211) 7.698 5.694 ( 5.226 -1.657 1.618) 5.716 5.793 ( 1.258 -0.983 -0.539) 1.685 6.201 ( 11.370 11.814 3.967) 16.870 6.352 ( -1.697 7.526 -0.244) 7.719 6.797 ( 0.349 1.502 -2.014) 2.536 6.849 ( -11.389 -3.600 0.876) 11.977 7.303 ( 2.037 0.218 2.723) 3.408 7.364 ( -3.679 -1.700 0.092) 4.054 8.092 ( 1.236 -0.972 -1.383) 2.094 8.400 ( -0.062 -1.470 0.541) 1.568 ======================= Grid point 308 (134/242) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 3.526 0.000 11.740) 12.258 0.769 ( 6.014 0.000 10.406) 12.019 1.171 ( 2.386 0.000 6.590) 7.008 1.180 ( -2.994 -0.000 -5.745) 6.478 1.270 ( -2.619 -0.000 0.650) 2.699 1.283 ( -1.665 -0.000 0.382) 1.708 1.356 ( 1.987 0.000 -1.769) 2.660 1.381 ( 10.419 0.000 -0.418) 10.427 1.482 ( -1.543 -0.000 -0.854) 1.764 1.610 ( -0.271 -0.000 4.748) 4.756 1.823 ( 0.253 0.000 5.539) 5.545 1.896 ( 0.212 0.000 -1.582) 1.596 1.939 ( -2.158 -0.000 -1.469) 2.610 2.060 ( 1.335 0.000 -1.655) 2.127 2.136 ( 0.898 0.000 -3.311) 3.431 2.140 ( 2.100 0.000 1.954) 2.868 2.295 ( 2.667 0.000 -9.609) 9.972 2.485 ( -0.796 -0.000 -0.078) 0.800 2.572 ( -2.266 -0.000 1.504) 2.720 2.706 ( -0.332 -0.000 -0.349) 0.481 3.003 ( -2.495 -0.000 1.741) 3.042 3.040 ( -0.093 -0.000 -0.061) 0.111 3.089 ( -0.300 -0.000 -0.041) 0.303 3.240 ( 2.103 0.000 -0.078) 2.104 4.390 ( 2.434 0.000 -0.093) 2.436 5.318 ( -1.830 -0.000 0.301) 1.854 5.806 ( -1.596 -0.000 0.354) 1.635 5.814 ( -1.448 -0.000 -0.341) 1.487 6.129 ( -9.140 -0.000 -1.744) 9.305 6.274 ( 2.442 0.000 -0.369) 2.469 6.627 ( -3.950 -0.000 2.583) 4.720 6.945 ( 9.513 0.000 0.552) 9.529 7.341 ( 0.624 0.000 -0.582) 0.854 7.416 ( 4.752 0.000 0.398) 4.768 8.102 ( 0.083 0.000 -1.644) 1.646 8.412 ( -0.912 -0.000 0.682) 1.138 ======================= Grid point 309 (135/242) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 6.013 -0.759 9.177) 10.997 0.851 ( 3.989 -0.928 12.467) 13.123 1.024 ( -1.586 4.917 -7.598) 9.188 1.203 ( -2.729 1.918 0.625) 3.393 1.321 ( 0.984 -2.318 -1.392) 2.877 1.347 ( 1.259 -3.074 -3.084) 4.533 1.370 ( 4.783 -7.507 -4.683) 10.058 1.449 ( 1.019 0.641 0.714) 1.399 1.572 ( 4.101 -11.063 5.846) 13.168 1.669 ( -0.323 -3.973 3.769) 5.485 1.812 ( -1.598 1.389 3.027) 3.694 1.867 ( 2.186 3.260 0.205) 3.931 1.921 ( -1.439 0.527 -2.852) 3.237 2.020 ( 2.894 2.857 -0.328) 4.080 2.109 ( -0.716 0.076 -1.494) 1.659 2.243 ( 3.906 -2.861 -1.042) 4.952 2.335 ( 4.251 -6.027 -4.282) 8.529 2.528 ( -1.403 1.853 0.710) 2.430 2.592 ( -2.598 -9.231 -0.246) 9.593 2.669 ( 0.302 2.740 0.306) 2.773 2.944 ( -2.764 2.749 1.159) 4.067 3.009 ( -0.040 3.061 -0.100) 3.063 3.141 ( -0.725 -3.291 0.063) 3.370 3.210 ( 2.778 2.812 0.273) 3.962 4.808 ( -1.183 -31.899 -3.723) 32.137 5.387 ( -3.178 -6.295 0.260) 7.056 5.721 ( -2.362 1.008 -1.021) 2.763 5.777 ( -2.002 1.390 -0.479) 2.484 6.192 ( -10.730 -9.725 0.149) 14.482 6.392 ( 1.405 -8.332 0.012) 8.449 6.649 ( 2.193 -2.370 0.618) 3.288 6.985 ( 8.788 0.707 0.325) 8.822 7.342 ( 0.068 -0.060 -0.565) 0.573 7.402 ( 6.154 3.073 1.572) 7.056 8.086 ( -0.519 1.049 -1.622) 2.000 8.392 ( -1.268 1.521 0.715) 2.105 ======================= Grid point 310 (136/242) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 1.533 1.374 4.310) 4.777 0.887 ( 0.278 0.020 6.598) 6.604 0.971 ( 3.378 -1.359 -2.338) 4.327 1.198 ( -1.406 -2.426 2.123) 3.517 1.334 ( 1.666 0.641 0.954) 2.024 1.389 ( 3.598 -2.666 -6.634) 8.004 1.487 ( 2.445 -4.016 -3.802) 6.047 1.602 ( 2.083 -10.457 -0.264) 10.665 1.719 ( -2.737 -2.115 -0.535) 3.500 1.771 ( -0.256 2.965 1.668) 3.412 1.814 ( 1.436 -0.581 2.678) 3.094 1.857 ( 3.119 -8.702 3.652) 9.939 1.894 ( 0.498 1.355 -2.184) 2.618 1.996 ( 2.142 0.095 -0.788) 2.284 2.126 ( 2.524 -1.909 -0.360) 3.185 2.327 ( 3.368 -3.230 -0.520) 4.696 2.451 ( 2.464 -2.028 -1.591) 3.566 2.498 ( -1.948 -0.208 -0.353) 1.991 2.627 ( 1.650 0.836 -0.459) 1.906 2.745 ( -4.431 -6.187 1.275) 7.716 2.919 ( -1.857 -0.756 0.224) 2.017 2.926 ( -0.466 3.321 -0.524) 3.395 3.169 ( 2.728 2.097 0.448) 3.470 3.193 ( 0.520 -1.248 0.093) 1.355 5.345 ( -2.310 -15.693 2.308) 16.029 5.491 ( -2.817 -12.495 -4.700) 13.644 5.759 ( -4.380 -5.490 -1.377) 7.157 5.880 ( -2.002 -13.730 -1.156) 13.924 6.360 ( -7.005 -11.960 0.511) 13.870 6.555 ( -0.181 -7.655 0.788) 7.697 6.756 ( 4.966 -6.511 0.375) 8.197 7.031 ( 7.484 -1.472 -0.919) 7.682 7.350 ( 0.553 -0.991 0.739) 1.354 7.400 ( 5.957 0.797 0.821) 6.066 8.052 ( -1.445 1.475 -1.429) 2.511 8.344 ( -1.631 2.601 0.674) 3.144 ======================= Grid point 311 (137/242) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -4.569 2.070 1.443) 5.219 0.939 ( 0.794 -3.717 3.412) 5.108 1.059 ( 2.845 -4.210 1.277) 5.239 1.259 ( 1.263 -2.699 1.254) 3.233 1.369 ( 3.596 -2.330 2.520) 4.971 1.465 ( 2.686 -4.788 -5.313) 7.640 1.564 ( 3.169 -3.107 -1.658) 4.738 1.663 ( 1.134 4.937 -0.659) 5.108 1.734 ( -1.858 -1.125 0.480) 2.225 1.795 ( 1.533 -5.214 0.748) 5.485 1.845 ( 1.037 -0.110 -0.577) 1.192 1.858 ( 0.737 0.020 -0.443) 0.860 1.960 ( -0.846 -1.114 -0.486) 1.481 2.083 ( -1.473 -5.724 -1.100) 6.012 2.203 ( 6.528 -3.025 0.752) 7.234 2.351 ( -0.677 2.289 1.278) 2.708 2.426 ( -1.101 1.587 0.232) 1.945 2.537 ( 2.529 -1.881 -1.799) 3.629 2.639 ( 2.974 -0.106 -0.656) 3.047 2.803 ( -4.050 0.170 1.088) 4.197 2.845 ( -1.498 -1.437 -0.126) 2.080 2.991 ( -1.491 -4.203 -0.333) 4.472 3.143 ( 2.680 1.779 0.471) 3.252 3.218 ( 1.497 -0.558 0.216) 1.612 5.452 ( -2.594 -3.965 2.362) 5.294 5.701 ( 0.081 -5.339 -2.169) 5.763 6.027 ( -3.501 -20.746 -2.406) 21.176 6.140 ( -5.463 -13.635 0.059) 14.689 6.600 ( -1.334 -14.355 0.829) 14.440 6.712 ( 0.509 -8.476 0.176) 8.493 6.934 ( 4.401 -7.942 1.683) 9.234 7.118 ( 4.826 -4.071 -1.793) 6.563 7.394 ( 2.521 -2.216 0.909) 3.478 7.429 ( 3.649 -1.142 -0.019) 3.824 8.013 ( -2.362 0.961 -1.079) 2.769 8.279 ( -1.745 3.177 0.559) 3.667 ======================= Grid point 312 (138/242) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -5.021 -2.455 1.903) 5.904 1.019 ( -0.376 -2.876 2.002) 3.524 1.147 ( 0.326 -3.578 0.365) 3.611 1.322 ( 4.236 -1.945 1.057) 4.780 1.439 ( 3.168 -1.770 0.690) 3.694 1.573 ( 7.277 0.830 -0.955) 7.386 1.582 ( -0.622 -2.754 -0.309) 2.841 1.645 ( -0.124 -3.241 -0.884) 3.361 1.753 ( -0.409 -2.289 0.503) 2.379 1.817 ( 0.818 1.086 -1.310) 1.888 1.868 ( 1.910 -1.247 0.854) 2.435 1.902 ( -0.881 -2.099 -1.169) 2.559 1.953 ( -3.466 -0.053 0.460) 3.497 2.119 ( -3.022 0.679 -0.721) 3.180 2.268 ( 1.810 1.890 0.515) 2.668 2.310 ( 4.505 -1.061 -0.344) 4.641 2.385 ( -0.027 2.254 0.141) 2.258 2.566 ( 2.869 0.743 -1.080) 3.154 2.636 ( 0.199 1.239 -0.159) 1.264 2.774 ( -2.828 -1.251 0.459) 3.126 2.919 ( -1.489 -4.448 -0.408) 4.709 3.054 ( -1.356 -3.135 0.148) 3.419 3.135 ( 2.078 0.449 0.712) 2.242 3.228 ( 1.908 0.589 0.339) 2.025 5.538 ( -1.986 -5.490 1.723) 6.087 5.768 ( 0.504 -1.987 -1.265) 2.409 6.297 ( -4.641 -9.766 1.237) 10.884 6.427 ( -1.700 -16.014 -0.605) 16.115 6.867 ( 3.369 -9.976 0.748) 10.556 6.905 ( -0.098 -11.613 -0.256) 11.616 7.096 ( 2.442 -5.900 1.986) 6.687 7.218 ( 1.614 -4.294 -2.052) 5.025 7.447 ( 4.958 -0.569 0.686) 5.037 7.490 ( 0.255 -3.977 -0.254) 3.993 7.991 ( -2.685 -0.466 -0.660) 2.804 8.207 ( -1.395 3.380 0.390) 3.677 ======================= Grid point 313 (139/242) ======================= q-point: ( 0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -3.256 -5.179 1.223) 6.238 1.040 ( -0.808 0.641 0.596) 1.191 1.205 ( -0.312 -2.390 -0.377) 2.439 1.365 ( 4.529 0.635 1.071) 4.697 1.467 ( 1.364 -0.235 0.172) 1.395 1.577 ( 3.157 -0.870 -0.504) 3.314 1.653 ( 0.218 -1.251 -0.263) 1.297 1.708 ( 0.576 -3.380 0.265) 3.439 1.789 ( -0.953 -1.681 -0.307) 1.956 1.836 ( -0.009 -1.531 0.618) 1.651 1.883 ( 1.460 0.555 0.134) 1.567 1.904 ( -0.539 0.308 -1.143) 1.301 1.969 ( -1.385 -2.580 0.939) 3.076 2.052 ( -1.597 3.087 0.177) 3.480 2.231 ( -1.558 1.080 1.342) 2.323 2.332 ( -2.714 2.077 -1.256) 3.641 2.376 ( 7.730 -0.842 -1.477) 7.915 2.532 ( 2.529 3.464 -0.306) 4.300 2.605 ( -1.924 1.044 0.128) 2.193 2.808 ( -0.991 -2.190 0.504) 2.456 2.982 ( -2.105 -2.873 -0.538) 3.602 3.099 ( -0.769 -1.844 0.124) 2.002 3.150 ( 1.509 -0.697 0.679) 1.796 3.217 ( 1.392 1.505 0.479) 2.105 5.647 ( -0.554 -5.687 1.018) 5.804 5.778 ( -0.321 0.709 -0.774) 1.098 6.442 ( -2.227 -6.436 2.994) 7.439 6.660 ( -0.024 -7.944 -1.317) 8.052 7.036 ( 1.688 -5.719 1.062) 6.057 7.112 ( 1.701 -7.501 0.214) 7.695 7.198 ( 0.582 -3.681 0.282) 3.738 7.274 ( -0.187 -1.070 -1.530) 1.877 7.470 ( 2.572 0.442 0.377) 2.637 7.567 ( 0.239 -3.141 0.096) 3.151 8.005 ( -1.930 -2.393 -0.314) 3.090 8.137 ( -0.564 3.163 0.200) 3.219 ======================= Grid point 314 (140/242) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 2.009 -3.033 0.460) 3.667 1.014 ( -3.476 -0.223 -0.295) 3.496 1.239 ( -0.585 -1.368 -0.361) 1.531 1.354 ( 2.528 2.131 -0.610) 3.362 1.471 ( -0.212 0.257 0.238) 0.410 1.573 ( -0.592 2.834 -0.257) 2.906 1.667 ( 1.172 -0.464 -0.807) 1.497 1.758 ( -1.848 -0.743 1.860) 2.725 1.834 ( 1.025 -2.397 0.683) 2.695 1.855 ( 0.721 1.214 -0.084) 1.414 1.871 ( 1.905 1.731 -1.623) 3.043 1.876 ( -0.261 -1.823 -0.907) 2.052 1.992 ( -0.393 0.088 1.243) 1.306 2.049 ( 0.247 -1.058 -0.805) 1.353 2.203 ( -5.863 0.584 1.388) 6.054 2.286 ( 0.176 0.415 0.283) 0.532 2.405 ( 3.172 1.341 -2.263) 4.120 2.477 ( 1.214 1.924 -0.376) 2.306 2.594 ( -0.375 -0.544 0.659) 0.933 2.832 ( 0.836 0.033 1.463) 1.685 3.006 ( -2.489 -0.828 -0.463) 2.664 3.122 ( 0.264 -0.679 -0.056) 0.731 3.163 ( 1.082 0.852 0.036) 1.378 3.196 ( -0.525 0.402 0.552) 0.862 5.731 ( -0.524 1.228 -0.232) 1.355 5.755 ( 0.455 -2.566 -0.180) 2.612 6.533 ( 0.012 -2.482 2.655) 3.635 6.735 ( 0.067 -0.276 -2.388) 2.405 7.086 ( -2.273 1.055 1.768) 3.067 7.186 ( 1.601 1.765 -0.342) 2.408 7.238 ( -0.419 0.746 -0.588) 1.038 7.285 ( 1.540 -1.724 -0.914) 2.486 7.456 ( -0.436 1.545 0.256) 1.625 7.600 ( 0.129 0.164 0.347) 0.405 8.061 ( -0.537 -3.808 -0.131) 3.848 8.080 ( 0.315 2.501 0.039) 2.521 ======================= Grid point 315 (141/242) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 5.566 1.980 0.387) 5.920 1.043 ( -4.925 -4.386 -2.202) 6.952 1.248 ( -2.793 -0.439 1.362) 3.138 1.310 ( 3.020 3.578 -1.696) 4.980 1.459 ( -0.524 1.546 -0.986) 1.907 1.466 ( -6.092 4.491 -0.439) 7.581 1.680 ( 2.182 0.720 -1.056) 2.529 1.719 ( -1.044 1.725 0.127) 2.020 1.837 ( 1.895 1.693 -1.846) 3.141 1.845 ( -1.991 1.993 -1.988) 3.448 1.867 ( 4.763 1.241 1.952) 5.295 1.917 ( 0.089 -1.514 -0.309) 1.548 1.998 ( 0.728 0.815 1.809) 2.113 2.036 ( -2.319 -0.988 -0.410) 2.553 2.187 ( -6.328 -2.682 0.513) 6.892 2.297 ( 4.657 2.402 0.932) 5.323 2.364 ( -2.178 -0.207 -1.282) 2.536 2.477 ( -0.802 -0.459 0.343) 0.986 2.614 ( 0.514 -0.964 0.675) 1.284 2.829 ( 3.174 1.371 1.746) 3.873 2.986 ( -2.073 1.420 -0.326) 2.533 3.120 ( 1.026 2.123 -0.013) 2.358 3.139 ( -0.219 0.269 -0.336) 0.483 3.196 ( -1.749 -0.539 -0.039) 1.831 5.661 ( -0.539 4.321 0.686) 4.408 5.809 ( 1.016 -1.364 -2.045) 2.660 6.543 ( 1.589 2.474 1.068) 3.128 6.669 ( -0.339 6.119 -3.398) 7.008 6.994 ( -4.199 6.468 1.344) 7.828 7.071 ( 0.307 8.487 -1.644) 8.651 7.201 ( 0.546 4.150 1.968) 4.625 7.283 ( 1.198 3.144 -1.582) 3.718 7.414 ( -2.299 1.763 0.076) 2.898 7.561 ( 0.029 3.778 0.733) 3.849 8.043 ( 1.041 1.459 -0.196) 1.803 8.142 ( 0.194 -4.306 0.027) 4.311 ======================= Grid point 316 (142/242) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 3.576 0.227 -1.429) 3.858 1.051 ( -4.665 1.723 -0.358) 4.986 1.193 ( -0.643 8.158 -1.337) 8.292 1.269 ( -0.514 -0.293 1.628) 1.732 1.330 ( -4.510 2.837 -2.286) 5.798 1.454 ( -2.517 -0.986 -2.035) 3.384 1.652 ( -1.787 3.170 -3.944) 5.366 1.675 ( 2.893 2.503 -0.191) 3.830 1.769 ( -1.398 2.152 0.103) 2.568 1.823 ( 2.412 0.291 -1.566) 2.890 1.869 ( 1.505 0.792 -0.138) 1.706 1.906 ( 2.520 3.297 0.670) 4.203 1.968 ( -2.704 1.777 1.967) 3.787 2.053 ( -0.054 0.273 0.739) 0.790 2.221 ( -0.491 2.804 1.484) 3.210 2.266 ( -1.800 -4.603 0.136) 4.944 2.371 ( 0.269 1.906 2.574) 3.214 2.489 ( -0.810 -2.637 -0.383) 2.785 2.628 ( -0.538 -0.042 -0.551) 0.771 2.832 ( 3.652 0.480 1.415) 3.945 2.934 ( -1.043 2.670 -0.342) 2.887 3.069 ( -0.160 2.818 -0.144) 2.826 3.136 ( 0.049 0.262 -0.889) 0.928 3.194 ( -1.898 -0.317 -0.002) 1.924 5.566 ( -0.353 5.248 1.790) 5.556 5.806 ( 0.812 1.343 -3.686) 4.007 6.444 ( 3.079 9.888 -1.399) 10.450 6.477 ( -0.564 11.767 -3.642) 12.331 6.813 ( -3.125 9.495 1.616) 10.126 6.883 ( 0.511 10.009 -1.660) 10.159 7.084 ( -1.908 7.531 2.914) 8.298 7.170 ( 0.678 7.929 -1.944) 8.191 7.367 ( -2.966 1.513 -0.265) 3.340 7.473 ( 0.514 5.023 1.571) 5.288 8.033 ( 1.303 0.133 -0.478) 1.394 8.227 ( 0.269 -4.002 0.160) 4.014 ======================= Grid point 317 (143/242) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.746 4.135 -0.680) 4.257 0.971 ( -8.452 7.089 3.980) 11.727 0.980 ( -0.895 2.750 -2.403) 3.760 1.256 ( -0.636 1.541 -0.033) 1.667 1.298 ( 0.833 0.250 -1.739) 1.945 1.450 ( -0.993 1.318 -5.090) 5.351 1.538 ( -1.306 3.490 -3.564) 5.156 1.696 ( 1.661 -2.191 -1.162) 2.985 1.737 ( 0.897 1.649 2.896) 3.451 1.798 ( -1.441 6.743 -1.859) 7.141 1.826 ( 1.185 1.545 0.902) 2.146 1.853 ( 2.627 4.229 2.946) 5.784 1.928 ( -2.626 -0.618 -0.495) 2.743 2.012 ( 2.531 5.103 2.634) 6.276 2.149 ( -2.324 2.094 -0.785) 3.225 2.309 ( 0.830 3.550 4.617) 5.883 2.384 ( 0.200 -5.000 -0.166) 5.007 2.546 ( -0.115 -1.876 -0.814) 2.049 2.601 ( -0.448 1.936 -1.498) 2.488 2.851 ( 1.298 -0.634 1.638) 2.184 2.891 ( 0.063 0.546 -0.593) 0.808 3.001 ( -0.032 4.416 -0.452) 4.439 3.129 ( -0.856 -0.358 -0.986) 1.354 3.192 ( -0.740 -0.078 0.294) 0.800 5.467 ( -0.427 5.039 3.156) 5.961 5.757 ( 0.721 3.069 -4.863) 5.795 6.128 ( 1.363 19.698 -5.817) 20.584 6.226 ( 1.483 15.663 -0.488) 15.741 6.618 ( 0.005 9.597 1.985) 9.800 6.693 ( 0.457 8.954 -0.974) 9.019 6.918 ( -6.045 7.332 3.497) 10.126 7.003 ( 2.899 8.443 -2.569) 9.289 7.326 ( -3.246 0.773 -0.243) 3.346 7.392 ( 1.331 3.814 2.171) 4.586 8.047 ( 1.124 -0.861 -0.824) 1.638 8.301 ( 0.012 -3.376 0.317) 3.391 ======================= Grid point 318 (144/242) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -1.589 7.534 4.658) 8.999 0.813 ( -3.489 5.546 10.128) 12.063 1.029 ( -2.464 -4.728 -5.320) 7.532 1.224 ( -0.881 0.817 -0.234) 1.224 1.300 ( 1.232 0.257 0.125) 1.265 1.366 ( 2.061 3.835 -6.903) 8.161 1.484 ( 1.431 2.885 -4.387) 5.442 1.596 ( -0.474 11.507 -0.949) 11.556 1.688 ( 3.718 10.093 9.086) 14.080 1.708 ( 1.678 2.699 3.804) 4.957 1.796 ( -2.940 -1.754 1.337) 3.675 1.816 ( -0.211 -0.343 1.252) 1.316 1.936 ( -1.273 -1.195 -2.673) 3.193 1.966 ( 0.491 -0.567 -0.553) 0.932 2.121 ( -0.887 -0.068 -2.380) 2.540 2.253 ( 2.707 3.541 1.314) 4.647 2.414 ( 0.789 3.214 -1.974) 3.853 2.542 ( -0.586 1.073 -0.042) 1.224 2.593 ( 0.893 -2.369 0.265) 2.545 2.819 ( -2.195 7.397 -0.329) 7.723 2.904 ( 2.240 -1.144 1.302) 2.832 2.950 ( -0.772 -2.519 -0.372) 2.661 3.146 ( -0.792 -1.950 -0.587) 2.185 3.184 ( 0.190 1.072 0.503) 1.199 5.357 ( -0.728 10.420 2.906) 10.842 5.589 ( 0.495 15.145 -9.089) 17.670 5.809 ( 0.622 5.910 -1.476) 6.124 5.898 ( 1.323 16.144 -0.264) 16.201 6.446 ( 1.585 9.178 2.309) 9.596 6.521 ( 1.663 9.067 -0.401) 9.226 6.771 ( -9.882 3.692 3.494) 11.113 6.892 ( 6.572 4.322 -2.370) 8.215 7.307 ( -1.872 -0.343 0.963) 2.133 7.352 ( 1.412 1.490 1.273) 2.415 8.071 ( 0.724 -1.266 -1.179) 1.876 8.360 ( -0.327 -2.585 0.469) 2.648 ======================= Grid point 321 (145/242) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 7.060 0.000 10.130) 12.347 0.857 ( 4.038 0.000 2.976) 5.016 1.140 ( -0.640 -0.000 -1.130) 1.298 1.209 ( 1.102 0.000 0.414) 1.178 1.241 ( -0.809 -0.000 -3.397) 3.492 1.253 ( -3.485 -0.000 -1.056) 3.642 1.353 ( -0.308 -0.000 -3.387) 3.401 1.488 ( 1.596 0.000 2.857) 3.272 1.500 ( 10.730 0.000 1.047) 10.781 1.627 ( 0.693 0.000 3.762) 3.825 1.823 ( -2.527 -0.000 2.114) 3.294 1.907 ( -1.826 -0.000 -2.371) 2.993 1.929 ( 4.277 0.000 2.426) 4.917 2.052 ( -0.980 -0.000 -1.784) 2.036 2.154 ( 3.654 0.000 0.087) 3.655 2.171 ( 2.641 0.000 0.571) 2.703 2.294 ( 4.057 0.000 -7.114) 8.189 2.470 ( -1.911 -0.000 -0.363) 1.945 2.559 ( -2.005 -0.000 2.267) 3.026 2.702 ( -0.353 -0.000 -0.079) 0.362 2.975 ( -4.267 -0.000 1.536) 4.535 3.038 ( -0.110 -0.000 -0.019) 0.111 3.084 ( -0.081 -0.000 -0.470) 0.477 3.267 ( 2.976 0.000 -0.174) 2.982 4.419 ( 3.432 0.000 -0.852) 3.537 5.284 ( -4.310 -0.000 -0.428) 4.331 5.777 ( -6.006 -0.000 -0.620) 6.038 5.789 ( -1.791 -0.000 0.540) 1.871 5.978 ( -14.353 -0.000 -1.489) 14.430 6.307 ( 3.908 0.000 -0.113) 3.910 6.641 ( 3.468 0.000 -0.984) 3.605 7.046 ( 8.336 0.000 1.961) 8.563 7.338 ( 0.325 0.000 -2.236) 2.260 7.482 ( 6.854 0.000 1.337) 6.983 8.091 ( -0.631 -0.000 -1.753) 1.863 8.402 ( -1.538 -0.000 0.844) 1.754 ======================= Grid point 322 (146/242) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 4.495 0.768 5.212) 6.925 0.936 ( 3.297 -2.882 5.500) 7.030 0.995 ( 2.886 7.173 -3.128) 8.340 1.180 ( -2.490 1.361 1.331) 3.134 1.294 ( -3.063 -6.041 -2.459) 7.206 1.343 ( 0.286 -2.272 -3.001) 3.775 1.396 ( 3.658 -6.039 -5.526) 8.966 1.484 ( 3.237 -0.389 2.915) 4.373 1.623 ( 3.476 -5.755 -0.594) 6.749 1.701 ( 3.184 -5.618 3.903) 7.545 1.800 ( -1.404 1.032 1.597) 2.363 1.894 ( -0.826 0.469 -2.657) 2.821 1.915 ( 4.227 3.397 2.524) 5.981 2.053 ( 2.656 0.628 0.525) 2.780 2.100 ( 0.413 1.064 -0.190) 1.157 2.284 ( 4.611 -2.826 -1.701) 5.669 2.360 ( 3.343 -6.767 -2.729) 8.026 2.512 ( -2.464 2.659 0.851) 3.724 2.558 ( -3.515 -8.298 0.011) 9.012 2.674 ( 0.455 1.869 0.109) 1.927 2.913 ( -3.742 2.194 0.850) 4.420 3.009 ( 0.309 3.462 -0.226) 3.483 3.132 ( -0.783 -3.649 -0.086) 3.733 3.247 ( 3.630 2.728 0.313) 4.552 4.786 ( -0.479 -29.263 -2.309) 29.358 5.348 ( -4.191 -6.980 0.001) 8.141 5.659 ( -8.141 1.718 -2.183) 8.602 5.757 ( -1.266 -0.091 -0.492) 1.361 6.079 ( -9.536 -11.781 -0.347) 15.160 6.411 ( 2.163 -7.017 0.398) 7.353 6.685 ( 3.909 -3.008 -1.358) 5.116 7.078 ( 8.067 1.117 1.251) 8.240 7.335 ( 0.412 -0.146 -2.411) 2.451 7.486 ( 7.473 2.917 2.425) 8.381 8.070 ( -1.132 1.278 -1.698) 2.408 8.379 ( -1.920 1.589 0.894) 2.648 ======================= Grid point 323 (147/242) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.780 4.745 0.735) 4.864 0.927 ( 3.541 1.404 3.042) 4.875 1.013 ( 3.399 -2.540 2.266) 4.810 1.199 ( -0.324 -3.397 2.487) 4.223 1.357 ( 1.384 -1.851 0.934) 2.492 1.390 ( 1.728 -2.792 -3.920) 5.113 1.493 ( 1.201 -4.132 -3.127) 5.319 1.620 ( 1.159 -8.908 -0.837) 9.021 1.700 ( 0.051 -2.360 -1.715) 2.917 1.779 ( 1.885 1.615 0.907) 2.643 1.848 ( 2.265 -0.559 2.533) 3.443 1.889 ( 0.264 0.061 -1.703) 1.724 1.900 ( 3.085 -4.399 0.962) 5.458 2.016 ( 2.549 2.327 -0.945) 3.579 2.158 ( 2.751 -4.332 1.087) 5.245 2.349 ( 1.403 -1.950 -1.727) 2.959 2.441 ( -3.193 1.105 -0.309) 3.393 2.500 ( 2.235 -3.233 -0.491) 3.961 2.636 ( 0.139 -1.063 -0.860) 1.374 2.714 ( -2.032 -5.295 1.499) 5.867 2.896 ( -2.651 -1.160 0.212) 2.902 2.918 ( -0.341 3.928 -0.629) 3.992 3.191 ( 0.682 -2.037 0.148) 2.154 3.213 ( 3.314 2.395 0.524) 4.122 5.330 ( -2.183 -18.231 1.964) 18.466 5.445 ( -2.408 -11.148 -3.471) 11.921 5.694 ( -6.563 -8.185 -0.987) 10.538 5.850 ( -2.393 -11.024 -1.468) 11.375 6.294 ( -5.567 -14.355 0.423) 15.402 6.565 ( 1.431 -7.438 0.664) 7.604 6.804 ( 3.740 -7.070 -0.125) 7.999 7.110 ( 7.426 -0.239 -0.214) 7.433 7.349 ( 0.767 -1.690 -1.831) 2.607 7.480 ( 6.890 1.944 2.096) 7.459 8.026 ( -2.101 1.784 -1.490) 3.133 8.327 ( -2.246 2.604 0.823) 3.536 ======================= Grid point 324 (148/242) ======================= q-point: ( 0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -2.220 3.311 2.477) 4.694 0.968 ( 1.418 -2.604 3.812) 4.830 1.086 ( 1.499 -3.047 0.780) 3.484 1.283 ( 2.168 -3.746 1.336) 4.530 1.422 ( 3.928 -2.133 2.352) 5.051 1.465 ( 1.042 -5.458 -2.697) 6.176 1.565 ( -0.346 -3.771 -1.745) 4.170 1.695 ( 0.516 2.502 0.382) 2.583 1.723 ( 3.436 -0.201 -1.137) 3.625 1.813 ( 1.122 -4.490 0.065) 4.629 1.857 ( 2.046 2.139 -1.686) 3.407 1.874 ( 2.172 -0.716 1.404) 2.684 1.945 ( -1.290 0.601 -0.348) 1.465 2.058 ( -2.139 -4.276 -1.475) 5.003 2.266 ( 5.110 -3.866 -0.304) 6.415 2.340 ( -1.633 2.166 0.129) 2.715 2.408 ( -2.157 0.306 -0.056) 2.179 2.555 ( 1.697 -1.991 -1.224) 2.888 2.664 ( 1.780 0.126 -0.648) 1.898 2.775 ( -1.611 0.906 1.124) 2.164 2.829 ( -1.307 -1.758 -0.213) 2.201 2.971 ( -2.019 -4.403 -0.134) 4.846 3.178 ( 3.135 2.253 0.752) 3.933 3.234 ( 1.320 -1.032 0.253) 1.695 5.432 ( -2.795 -4.081 1.501) 5.169 5.701 ( 1.248 -5.980 -1.047) 6.198 5.981 ( -3.665 -21.563 -0.798) 21.887 6.083 ( -5.104 -14.141 0.187) 15.035 6.589 ( -1.381 -16.737 0.938) 16.820 6.729 ( 2.376 -8.184 0.104) 8.522 6.978 ( 2.394 -8.029 1.522) 8.515 7.164 ( 4.881 -2.017 -1.404) 5.465 7.405 ( 1.524 -3.605 -1.359) 4.143 7.490 ( 5.569 0.846 1.250) 5.770 7.979 ( -2.996 1.048 -1.124) 3.367 8.261 ( -2.149 2.997 0.667) 3.748 ======================= Grid point 325 (149/242) ======================= q-point: ( 0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -2.453 -1.770 2.919) 4.204 1.029 ( 0.048 -1.852 2.849) 3.399 1.151 ( 0.331 -2.890 0.095) 2.911 1.374 ( 4.444 -2.997 1.269) 5.508 1.469 ( 2.163 -0.836 -0.648) 2.408 1.570 ( -0.752 -2.642 -0.481) 2.789 1.625 ( 2.936 -1.927 0.134) 3.514 1.657 ( 1.010 -0.697 1.059) 1.621 1.763 ( 2.996 -1.612 -0.183) 3.407 1.818 ( 0.188 0.697 -1.538) 1.699 1.885 ( -0.432 -1.522 -0.293) 1.609 1.902 ( 2.945 -0.270 -0.248) 2.967 1.921 ( -3.062 -0.599 1.111) 3.312 2.077 ( -4.340 0.380 -0.189) 4.361 2.279 ( -0.231 3.242 0.985) 3.396 2.337 ( 1.670 -0.433 -2.834) 3.318 2.406 ( 3.705 -0.542 0.415) 3.767 2.581 ( 0.739 1.565 -1.094) 2.047 2.630 ( -1.406 0.763 0.064) 1.601 2.759 ( -0.265 -0.791 0.266) 0.875 2.899 ( -1.784 -4.104 -0.737) 4.535 3.041 ( -1.174 -3.556 0.325) 3.759 3.162 ( 2.233 0.885 1.095) 2.639 3.248 ( 1.421 0.535 0.315) 1.551 5.525 ( -1.703 -6.083 1.538) 6.501 5.771 ( 0.829 -1.432 -0.757) 1.820 6.263 ( -3.127 -10.875 2.316) 11.550 6.409 ( -1.329 -17.123 -0.133) 17.175 6.902 ( 0.831 -13.965 1.020) 14.027 6.906 ( 2.310 -8.351 -0.230) 8.667 7.126 ( 1.074 -5.164 2.087) 5.672 7.227 ( 1.852 -2.755 -2.323) 4.052 7.490 ( 2.301 -3.634 -0.590) 4.341 7.505 ( 3.206 0.153 0.612) 3.268 7.957 ( -2.982 -0.877 -0.740) 3.196 8.193 ( -1.501 3.002 0.488) 3.391 ======================= Grid point 326 (150/242) ======================= q-point: ( 0.58 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.891 -5.608 1.220) 6.042 1.040 ( -0.033 1.332 1.570) 2.059 1.201 ( 0.173 -2.141 -0.642) 2.242 1.415 ( 3.590 1.915 1.158) 4.230 1.476 ( 0.324 0.215 -0.091) 0.399 1.595 ( 1.428 -1.457 -1.369) 2.456 1.663 ( 0.637 -0.995 0.998) 1.546 1.720 ( 1.563 -1.450 0.057) 2.133 1.783 ( -0.301 -2.261 0.397) 2.315 1.821 ( -1.576 -1.158 -1.090) 2.239 1.895 ( -0.391 0.991 0.598) 1.221 1.914 ( 2.571 0.760 -0.481) 2.724 1.964 ( -0.563 -3.293 1.898) 3.842 2.034 ( -1.694 0.505 0.023) 1.767 2.220 ( -1.719 2.661 1.622) 3.560 2.299 ( -1.526 1.947 -2.406) 3.450 2.441 ( 5.540 1.006 -1.661) 5.870 2.540 ( -0.558 1.444 -0.665) 1.685 2.601 ( 0.641 2.118 1.060) 2.453 2.799 ( -1.075 -2.984 0.172) 3.176 2.954 ( -2.243 -2.737 -0.840) 3.637 3.095 ( -0.205 -2.135 0.390) 2.181 3.168 ( 1.135 -0.098 0.919) 1.464 3.231 ( 0.900 1.825 0.305) 2.057 5.647 ( -0.316 -6.120 1.093) 6.225 5.773 ( -0.142 1.063 -0.603) 1.230 6.439 ( -1.119 -7.283 3.280) 8.065 6.655 ( 0.133 -8.003 -1.004) 8.067 7.056 ( 1.342 -4.681 1.072) 4.986 7.127 ( 0.670 -7.746 0.938) 7.831 7.207 ( 0.904 -3.258 -0.174) 3.385 7.265 ( -0.165 -0.660 -1.747) 1.875 7.495 ( 1.743 1.823 0.422) 2.557 7.572 ( 0.725 -2.949 -0.032) 3.037 7.984 ( -1.647 -3.190 -0.459) 3.619 8.132 ( -0.589 2.710 0.322) 2.792 ======================= Grid point 327 (151/242) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.199 -7.013 -0.589) 7.040 0.991 ( -0.631 3.397 1.162) 3.646 1.231 ( -0.301 -0.909 -0.687) 1.178 1.375 ( 1.437 2.725 -0.386) 3.105 1.466 ( -0.654 0.816 0.315) 1.093 1.567 ( -0.302 5.157 -0.580) 5.198 1.678 ( 1.161 -0.675 -0.644) 1.489 1.748 ( -1.416 -0.296 1.813) 2.320 1.849 ( 1.218 -1.467 -0.570) 1.990 1.852 ( -0.413 -1.658 -2.021) 2.646 1.854 ( -0.596 -0.478 -0.067) 0.767 1.912 ( 3.791 0.207 0.563) 3.838 1.991 ( -0.791 -1.103 1.124) 1.762 2.045 ( -0.141 0.967 -1.030) 1.420 2.151 ( -4.692 2.224 1.812) 5.500 2.291 ( 0.509 -1.721 0.028) 1.795 2.415 ( 0.751 2.707 -1.622) 3.244 2.482 ( 0.322 2.810 -1.161) 3.057 2.608 ( 1.863 -0.906 1.213) 2.401 2.844 ( -0.131 -1.484 1.272) 1.959 2.977 ( -1.899 -0.831 -0.525) 2.138 3.126 ( 0.437 -0.908 0.098) 1.013 3.173 ( 0.609 0.595 0.162) 0.867 3.191 ( -0.560 1.896 0.312) 2.001 5.726 ( -0.296 2.039 -0.103) 2.063 5.758 ( 0.305 -3.422 -0.263) 3.445 6.543 ( -0.514 -2.841 2.584) 3.875 6.726 ( 0.487 0.167 -2.401) 2.456 7.072 ( -1.639 2.761 1.781) 3.672 7.201 ( 1.457 3.857 -1.049) 4.254 7.233 ( -0.279 -1.200 0.250) 1.257 7.293 ( 0.811 -2.342 -0.949) 2.654 7.453 ( -0.295 2.741 0.214) 2.765 7.603 ( 0.114 0.267 0.323) 0.434 8.055 ( -0.323 -4.359 -0.212) 4.376 8.083 ( 0.101 2.137 0.112) 2.142 ======================= Grid point 328 (152/242) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.065 3.512 0.624) 3.722 0.995 ( -0.608 -5.795 -2.063) 6.181 1.227 ( -2.054 0.464 1.432) 2.547 1.335 ( 1.801 1.851 -1.812) 3.155 1.407 ( -3.280 8.345 -0.600) 8.986 1.449 ( -0.525 1.418 -0.855) 1.738 1.692 ( 0.793 1.435 -0.607) 1.749 1.712 ( -0.332 0.971 -0.114) 1.033 1.810 ( -2.296 2.745 -2.256) 4.231 1.844 ( 0.875 1.020 -2.224) 2.599 1.906 ( 0.721 0.710 -0.161) 1.025 1.949 ( 5.388 -0.383 2.143) 5.811 1.997 ( -1.833 1.327 1.811) 2.899 2.032 ( 1.569 -2.058 -0.091) 2.589 2.126 ( -4.932 -2.812 0.222) 5.682 2.329 ( -3.383 0.803 0.044) 3.477 2.349 ( 4.484 1.125 -0.086) 4.623 2.467 ( -1.101 -0.762 -0.266) 1.365 2.629 ( 1.293 0.048 0.922) 1.589 2.862 ( 1.044 0.088 1.595) 1.908 2.965 ( -1.020 1.229 -0.199) 1.609 3.127 ( 0.145 3.105 -0.055) 3.108 3.139 ( 0.409 -0.114 -0.548) 0.694 3.179 ( -1.342 -0.214 0.081) 1.361 5.659 ( -0.598 4.076 0.721) 4.182 5.808 ( 0.516 -1.025 -2.065) 2.362 6.552 ( -1.171 1.984 1.178) 2.588 6.655 ( 0.876 6.640 -3.531) 7.571 6.966 ( -2.086 6.953 1.441) 7.401 7.069 ( 0.838 8.565 -1.772) 8.786 7.210 ( -0.554 4.354 2.098) 4.865 7.290 ( 1.226 3.432 -1.547) 3.959 7.395 ( -1.068 2.450 -0.060) 2.674 7.565 ( -0.004 3.544 0.749) 3.622 8.050 ( 0.287 1.164 -0.106) 1.203 8.144 ( 0.125 -4.457 -0.052) 4.459 ======================= Grid point 329 (153/242) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.350 0.606 -0.979) 2.616 1.021 ( -0.495 3.101 -0.065) 3.141 1.176 ( -1.696 10.057 -1.416) 10.297 1.248 ( -3.754 -1.031 2.046) 4.397 1.316 ( 3.438 1.150 -1.690) 3.999 1.434 ( 0.432 -0.263 -2.256) 2.312 1.618 ( -1.156 4.974 -3.587) 6.240 1.689 ( 0.345 1.477 -0.692) 1.667 1.759 ( -0.744 0.622 0.903) 1.325 1.834 ( 0.965 -0.204 -1.934) 2.171 1.864 ( -0.898 2.375 -0.877) 2.686 1.945 ( -2.887 2.677 2.087) 4.456 1.971 ( 6.854 3.581 1.364) 7.852 2.057 ( 0.557 -1.008 -0.208) 1.170 2.207 ( -1.693 -1.840 0.581) 2.566 2.265 ( -0.048 0.000 1.289) 1.290 2.384 ( 0.148 -0.304 1.946) 1.975 2.488 ( 0.889 -2.211 -0.255) 2.397 2.623 ( 0.180 0.931 -0.571) 1.107 2.863 ( 0.293 0.333 1.531) 1.594 2.921 ( -0.252 2.594 -0.453) 2.645 3.066 ( -0.179 2.847 -0.166) 2.857 3.132 ( -0.272 0.717 -1.016) 1.273 3.181 ( -0.421 -0.525 0.228) 0.711 5.567 ( -1.027 4.922 1.848) 5.356 5.796 ( 0.280 1.631 -3.472) 3.846 6.446 ( -2.492 10.181 -2.861) 10.865 6.461 ( 1.460 10.993 -1.715) 11.221 6.797 ( -1.170 9.188 1.641) 9.406 6.887 ( 1.679 9.797 -1.759) 10.095 7.071 ( -2.748 8.805 2.878) 9.663 7.178 ( 2.316 7.722 -1.798) 8.260 7.346 ( -0.665 2.083 -0.195) 2.195 7.485 ( 0.354 4.463 1.347) 4.675 8.039 ( 0.241 -0.018 -0.476) 0.534 8.228 ( -0.141 -4.008 0.162) 4.014 ======================= Grid point 330 (154/242) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -5.385 2.983 -1.081) 6.250 0.923 ( -3.431 4.415 5.215) 7.646 0.983 ( 2.478 5.993 -1.279) 6.610 1.248 ( -0.663 1.056 0.077) 1.249 1.307 ( 1.600 0.823 -0.465) 1.859 1.437 ( 2.978 2.347 -5.781) 6.914 1.519 ( 0.749 2.171 -2.845) 3.657 1.692 ( -0.939 -2.247 -0.626) 2.515 1.755 ( -0.278 0.171 1.695) 1.726 1.779 ( -0.484 6.164 -0.892) 6.247 1.840 ( 0.652 2.174 1.171) 2.554 1.875 ( -1.864 0.910 -0.231) 2.087 1.930 ( 3.605 3.431 1.233) 5.127 2.054 ( 3.537 5.352 2.852) 7.021 2.124 ( -1.147 2.588 -1.686) 3.295 2.330 ( 0.136 0.281 3.235) 3.250 2.400 ( 2.338 -2.537 0.399) 3.473 2.534 ( -0.963 -0.840 -0.932) 1.582 2.601 ( 1.453 0.790 -1.516) 2.243 2.859 ( -1.055 1.114 1.453) 2.113 2.881 ( -1.492 -0.774 -0.382) 1.724 3.001 ( 0.447 4.294 -0.419) 4.338 3.118 ( -0.254 -0.326 -0.750) 0.857 3.192 ( 0.465 -0.257 0.299) 0.610 5.471 ( -1.399 4.551 3.129) 5.698 5.738 ( -0.218 3.480 -4.336) 5.564 6.108 ( -0.526 19.734 -5.130) 20.396 6.224 ( -1.525 14.774 -0.442) 14.859 6.617 ( -1.434 8.809 1.447) 9.042 6.707 ( 2.335 8.969 -0.936) 9.315 6.877 ( -3.847 9.056 3.287) 10.374 7.036 ( 4.872 7.319 -2.097) 9.039 7.312 ( 0.592 1.157 0.422) 1.367 7.411 ( 0.636 3.404 1.340) 3.713 8.048 ( -0.080 -0.914 -0.888) 1.277 8.299 ( -0.557 -3.364 0.366) 3.429 ======================= Grid point 334 (155/242) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.393 0.000 -6.130) 6.142 0.893 ( 5.717 0.000 7.794) 9.666 1.162 ( 2.063 0.000 4.549) 4.995 1.189 ( -3.789 -0.000 0.454) 3.816 1.204 ( -4.183 -0.000 -1.486) 4.439 1.228 ( 2.292 0.000 -8.954) 9.243 1.333 ( -0.152 -0.000 -2.588) 2.593 1.528 ( 2.461 0.000 4.155) 4.829 1.602 ( 8.007 0.000 -2.574) 8.411 1.667 ( 4.598 0.000 2.404) 5.188 1.811 ( -0.309 -0.000 1.186) 1.226 1.879 ( -1.479 -0.000 -1.001) 1.786 1.992 ( 4.362 0.000 3.419) 5.542 2.033 ( -2.027 -0.000 1.451) 2.493 2.199 ( 2.698 0.000 -0.791) 2.812 2.208 ( 6.220 0.000 0.023) 6.220 2.309 ( 3.386 0.000 -4.425) 5.572 2.443 ( -2.776 -0.000 -0.605) 2.841 2.543 ( -3.423 -0.000 2.505) 4.241 2.698 ( -0.396 -0.000 -0.056) 0.400 2.927 ( -5.628 -0.000 1.010) 5.718 3.037 ( -0.076 -0.000 0.027) 0.081 3.087 ( 1.044 0.000 -0.415) 1.123 3.299 ( 3.139 0.000 -0.162) 3.143 4.452 ( 3.701 0.000 -1.792) 4.112 5.227 ( -5.594 -0.000 -0.835) 5.656 5.664 ( -13.694 -0.000 -2.205) 13.870 5.776 ( -1.314 -0.000 0.680) 1.480 5.859 ( -6.123 -0.000 -2.879) 6.766 6.350 ( 3.983 0.000 0.042) 3.983 6.670 ( 3.041 0.000 -1.749) 3.508 7.133 ( 5.448 0.000 2.633) 6.051 7.337 ( 2.926 0.000 -3.962) 4.925 7.563 ( 6.193 0.000 2.275) 6.597 8.076 ( -0.674 -0.000 -1.647) 1.780 8.387 ( -2.121 -0.000 1.069) 2.375 ======================= Grid point 335 (156/242) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.522 1.826 -3.191) 3.713 0.982 ( 2.697 -3.467 2.303) 4.959 1.046 ( 5.154 6.449 0.015) 8.255 1.163 ( -1.978 0.069 2.161) 2.930 1.251 ( -2.892 -6.660 -1.836) 7.489 1.327 ( -0.811 -4.517 -2.689) 5.319 1.401 ( 1.745 -5.686 -2.805) 6.576 1.528 ( 2.368 0.167 2.069) 3.149 1.647 ( 2.152 -2.112 -2.815) 4.125 1.759 ( 5.870 -5.229 0.522) 7.878 1.813 ( 2.497 0.461 1.199) 2.808 1.879 ( -0.378 -0.276 0.421) 0.630 1.967 ( 3.186 3.873 1.676) 5.288 2.071 ( -0.367 -3.917 2.940) 4.911 2.127 ( 4.634 4.605 -0.787) 6.580 2.315 ( 2.681 -1.334 -2.964) 4.213 2.383 ( 2.830 -7.290 -0.932) 7.875 2.482 ( -3.944 2.938 1.161) 5.053 2.520 ( -3.706 -7.589 0.072) 8.445 2.679 ( 0.382 0.844 -0.018) 0.926 2.875 ( -4.001 1.333 0.526) 4.250 3.013 ( 0.681 3.854 -0.387) 3.933 3.125 ( -0.448 -3.697 -0.012) 3.724 3.287 ( 3.528 2.394 0.309) 4.275 4.776 ( 0.221 -26.931 -1.852) 26.995 5.305 ( -3.693 -8.690 -0.112) 9.442 5.539 ( -11.382 0.842 -3.736) 12.009 5.743 ( -0.841 -0.735 -0.971) 1.480 5.997 ( -5.539 -12.183 -0.749) 13.403 6.438 ( 2.511 -6.061 0.351) 6.570 6.715 ( 2.993 -3.483 -1.110) 4.725 7.153 ( 3.720 0.579 1.755) 4.154 7.344 ( 4.950 0.378 -4.052) 6.408 7.567 ( 5.158 2.532 2.541) 6.283 8.051 ( -0.855 1.728 -1.500) 2.443 8.360 ( -2.410 1.684 1.104) 3.140 ======================= Grid point 336 (157/242) ======================= q-point: ( 0.42 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.724 4.315 -0.105) 4.377 0.977 ( 3.132 2.349 2.066) 4.427 1.047 ( 1.254 -2.162 1.112) 2.736 1.214 ( 1.099 -4.041 2.178) 4.720 1.358 ( -0.646 -5.562 -1.813) 5.886 1.405 ( 2.043 -2.319 0.706) 3.170 1.492 ( 1.192 -3.695 -0.776) 3.960 1.612 ( -1.188 -6.868 -2.342) 7.353 1.700 ( 1.347 -3.231 -1.242) 3.714 1.816 ( 3.114 1.008 -1.052) 3.438 1.877 ( 1.642 -1.395 0.667) 2.255 1.892 ( 1.671 -0.775 1.644) 2.469 1.935 ( 3.367 -0.858 0.072) 3.475 2.043 ( 3.349 4.984 -0.937) 6.077 2.185 ( 1.302 -5.919 0.576) 6.088 2.337 ( -1.646 -0.910 -2.394) 3.044 2.399 ( -4.258 0.960 -0.379) 4.381 2.523 ( 1.307 -2.510 0.820) 2.946 2.624 ( -0.785 -4.527 -0.821) 4.668 2.718 ( 1.292 -3.879 0.964) 4.200 2.866 ( -2.985 -1.620 -0.000) 3.396 2.914 ( 0.003 4.769 -0.551) 4.801 3.197 ( 0.388 -3.164 0.143) 3.191 3.252 ( 3.247 2.956 0.631) 4.436 5.317 ( -1.832 -18.332 1.580) 18.491 5.407 ( -1.945 -11.897 -3.668) 12.600 5.623 ( -5.832 -12.071 0.224) 13.408 5.820 ( -1.936 -8.490 -1.800) 8.892 6.249 ( -3.352 -15.992 0.428) 16.345 6.587 ( 2.106 -7.542 0.411) 7.842 6.835 ( 2.317 -7.151 0.288) 7.522 7.168 ( 2.674 -0.303 0.220) 2.700 7.368 ( 5.555 -1.011 -3.250) 6.515 7.549 ( 4.014 1.996 1.944) 4.886 7.998 ( -1.816 2.391 -1.303) 3.273 8.306 ( -2.478 2.596 0.958) 3.715 ======================= Grid point 337 (158/242) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.214 3.620 3.418) 4.983 0.996 ( 0.469 -1.864 3.457) 3.956 1.101 ( 1.107 -2.556 0.394) 2.813 1.314 ( 2.559 -4.696 0.858) 5.416 1.442 ( -0.216 -2.922 -2.124) 3.619 1.485 ( 2.269 -4.778 2.383) 5.801 1.567 ( 1.807 -3.478 0.627) 3.969 1.672 ( -2.324 -0.778 -0.957) 2.631 1.776 ( 4.478 -1.125 -0.551) 4.650 1.813 ( 0.290 -1.056 -2.398) 2.636 1.877 ( 1.992 1.108 -0.798) 2.416 1.903 ( 0.894 0.045 1.094) 1.413 1.939 ( 1.064 2.987 0.550) 3.218 2.030 ( -1.745 -2.561 -0.643) 3.165 2.292 ( -0.708 -2.893 -0.914) 3.115 2.336 ( 2.213 -0.736 -0.870) 2.489 2.382 ( -2.390 -1.122 -0.396) 2.669 2.553 ( -1.503 -2.153 -0.562) 2.686 2.672 ( 0.796 1.819 -0.659) 2.092 2.781 ( 1.141 1.159 1.086) 1.955 2.817 ( -0.771 -2.072 -0.479) 2.262 2.950 ( -1.671 -4.748 0.004) 5.033 3.212 ( 2.579 2.521 0.890) 3.714 3.247 ( 0.823 -1.372 0.266) 1.622 5.408 ( -2.624 -4.723 0.598) 5.436 5.718 ( 2.338 -5.742 -0.201) 6.203 5.947 ( -2.558 -22.666 0.488) 22.815 6.038 ( -3.283 -15.098 0.085) 15.451 6.582 ( -0.878 -17.879 1.056) 17.931 6.757 ( 2.689 -8.310 -0.101) 8.735 7.000 ( 0.718 -7.897 1.643) 8.098 7.196 ( 1.793 -1.411 -1.192) 2.574 7.428 ( 4.333 -2.895 -2.042) 5.597 7.543 ( 3.020 0.977 1.111) 3.363 7.944 ( -2.607 1.333 -1.014) 3.099 8.242 ( -1.957 2.787 0.736) 3.484 ======================= Grid point 338 (159/242) ======================= q-point: (-0.42 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.092 -0.591 3.399) 3.451 1.043 ( 0.079 -1.509 2.703) 3.097 1.157 ( 0.956 -2.443 0.008) 2.624 1.424 ( 3.895 -3.834 1.191) 5.593 1.475 ( -0.102 -0.917 -1.059) 1.404 1.562 ( -0.517 -1.387 -0.986) 1.778 1.647 ( 0.002 -1.184 1.971) 2.299 1.670 ( 2.107 -3.093 0.762) 3.819 1.803 ( 1.269 1.448 -1.332) 2.341 1.806 ( 1.362 0.440 -0.926) 1.704 1.877 ( -0.887 -1.238 0.208) 1.537 1.901 ( -0.802 -1.226 0.179) 1.476 1.938 ( 3.038 -1.099 0.217) 3.238 2.032 ( -3.991 0.784 0.833) 4.152 2.274 ( -1.411 2.339 1.400) 3.069 2.335 ( 0.977 2.170 -3.768) 4.457 2.448 ( 3.476 -3.884 -0.205) 5.217 2.574 ( -1.023 4.751 -0.474) 4.882 2.610 ( -2.192 -3.020 -0.090) 3.732 2.767 ( 1.089 1.009 0.404) 1.538 2.878 ( -1.331 -3.635 -1.131) 4.033 3.034 ( -0.521 -4.007 0.397) 4.060 3.188 ( 1.517 1.244 1.234) 2.318 3.260 ( 0.713 0.510 0.242) 0.910 5.517 ( -1.120 -6.766 1.332) 6.986 5.778 ( 1.051 -0.693 -0.542) 1.370 6.252 ( -1.290 -11.735 2.900) 12.156 6.401 ( -0.029 -17.801 -0.034) 17.801 6.907 ( 0.035 -13.982 1.069) 14.023 6.936 ( 2.542 -8.586 -0.266) 8.958 7.135 ( -0.940 -4.973 2.218) 5.526 7.234 ( 1.264 -1.890 -2.389) 3.298 7.508 ( 1.830 -3.621 -0.773) 4.130 7.539 ( 2.234 1.227 0.572) 2.612 7.926 ( -2.095 -1.264 -0.780) 2.568 8.181 ( -1.058 2.675 0.549) 2.928 ======================= Grid point 339 (160/242) ======================= q-point: (-0.33 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -0.674 -4.862 1.271) 5.070 1.054 ( 1.279 1.454 1.573) 2.495 1.203 ( 0.786 -1.789 -0.841) 2.127 1.444 ( 0.598 3.454 0.790) 3.594 1.476 ( -0.117 0.021 0.420) 0.436 1.600 ( 0.897 -2.445 -1.740) 3.132 1.671 ( 0.518 -1.500 0.791) 1.773 1.737 ( 1.185 1.457 0.195) 1.888 1.781 ( -0.613 -2.826 -0.247) 2.902 1.806 ( -0.239 -1.745 0.153) 1.768 1.894 ( -0.216 1.537 0.717) 1.709 1.926 ( 0.389 -1.026 -1.281) 1.687 1.971 ( -0.817 0.466 2.853) 3.004 2.026 ( 0.845 -3.018 -0.278) 3.147 2.207 ( -2.212 3.876 1.878) 4.842 2.284 ( 1.038 1.416 -3.003) 3.478 2.469 ( 0.604 3.689 -1.654) 4.087 2.531 ( -0.066 -0.588 -0.231) 0.635 2.617 ( 1.259 1.358 0.825) 2.027 2.785 ( -1.802 -3.051 0.525) 3.582 2.933 ( -0.581 -2.736 -1.235) 3.057 3.097 ( 0.123 -2.364 0.479) 2.415 3.181 ( 0.433 0.466 1.015) 1.198 3.238 ( 0.277 1.997 0.158) 2.023 5.650 ( -0.047 -6.370 1.077) 6.461 5.771 ( 0.352 1.432 -0.594) 1.589 6.445 ( -0.660 -7.404 3.313) 8.138 6.657 ( 1.052 -7.800 -1.060) 7.942 7.076 ( 1.352 -3.697 1.489) 4.209 7.133 ( -0.219 -7.742 0.516) 7.762 7.209 ( -0.777 -4.202 0.242) 4.281 7.257 ( 0.470 0.108 -2.076) 2.131 7.509 ( 0.506 2.540 0.441) 2.627 7.579 ( 0.466 -2.590 -0.086) 2.633 7.970 ( -0.492 -3.813 -0.576) 3.888 8.128 ( -0.371 2.458 0.402) 2.518 ======================= Grid point 340 (161/242) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -2.115 -6.890 -0.204) 7.211 1.011 ( 3.018 3.674 0.747) 4.813 1.228 ( 0.300 -0.395 -0.810) 0.950 1.376 ( -0.955 2.862 -0.111) 3.019 1.463 ( -0.275 1.077 0.441) 1.195 1.563 ( 0.322 6.255 -0.671) 6.299 1.684 ( 0.470 -0.588 -0.669) 1.007 1.746 ( -0.588 -0.156 1.973) 2.065 1.832 ( -1.038 -0.586 -1.804) 2.162 1.845 ( -0.483 1.135 -0.870) 1.509 1.867 ( 1.299 -3.600 0.023) 3.827 1.947 ( 2.229 -1.670 -0.268) 2.798 1.984 ( -1.417 -2.073 1.169) 2.770 2.035 ( -0.972 2.822 -0.359) 3.006 2.135 ( 0.852 2.735 1.455) 3.213 2.296 ( 0.364 -1.381 -0.077) 1.430 2.409 ( -0.902 1.174 -1.015) 1.795 2.476 ( -0.385 3.845 -0.841) 3.955 2.634 ( 1.925 -0.793 0.344) 2.110 2.836 ( -2.424 -2.482 1.731) 3.877 2.970 ( 1.149 -0.915 -0.812) 1.678 3.130 ( 0.295 -0.900 0.104) 0.953 3.175 ( -0.546 0.274 0.505) 0.792 3.189 ( -0.078 2.965 0.033) 2.967 5.725 ( 0.180 2.596 -0.076) 2.604 5.759 ( 0.073 -3.643 -0.296) 3.655 6.542 ( -1.752 -2.362 2.634) 3.948 6.726 ( 1.543 0.479 -2.480) 2.960 7.069 ( -0.459 3.683 1.833) 4.140 7.204 ( 0.387 4.617 -1.895) 5.006 7.237 ( 0.308 -1.955 1.154) 2.291 7.292 ( -0.363 -2.877 -0.938) 3.048 7.452 ( 0.066 3.210 0.151) 3.215 7.605 ( -0.153 0.311 0.303) 0.461 8.053 ( 0.160 -4.417 -0.263) 4.428 8.083 ( -0.115 1.869 0.158) 1.879 ======================= Grid point 341 (162/242) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -5.308 1.575 1.020) 5.630 1.020 ( 4.874 -2.778 -2.374) 6.091 1.220 ( -0.660 0.485 1.508) 1.716 1.309 ( -3.618 4.075 -0.954) 5.532 1.418 ( 4.447 7.208 -0.862) 8.513 1.442 ( -0.093 1.035 -0.475) 1.143 1.695 ( 0.294 2.297 -0.092) 2.317 1.705 ( -0.807 1.057 -0.680) 1.494 1.784 ( -0.825 2.451 -1.084) 2.804 1.837 ( -0.393 0.552 -1.840) 1.960 1.905 ( -0.443 1.528 -0.397) 1.640 1.973 ( -2.188 1.349 2.174) 3.366 2.011 ( 0.928 -3.134 -0.408) 3.294 2.053 ( 2.254 -2.474 -0.229) 3.354 2.108 ( 3.027 -0.557 1.051) 3.252 2.294 ( -3.473 0.336 0.689) 3.557 2.391 ( 3.440 2.200 -0.833) 4.168 2.454 ( -0.922 -2.464 0.077) 2.632 2.644 ( 0.867 0.593 0.264) 1.083 2.858 ( -2.750 -0.665 1.826) 3.367 2.972 ( 2.216 1.594 -0.366) 2.754 3.124 ( -0.422 3.174 -0.053) 3.202 3.138 ( -0.342 0.198 -0.557) 0.683 3.173 ( 0.056 -0.257 0.350) 0.438 5.655 ( -0.615 4.181 0.766) 4.295 5.802 ( 0.088 -0.681 -1.849) 1.972 6.529 ( -3.732 2.622 1.358) 4.759 6.657 ( 1.974 6.829 -3.111) 7.759 6.963 ( 0.155 7.141 1.519) 7.302 7.072 ( 1.230 8.283 -1.852) 8.576 7.208 ( -1.367 4.863 2.068) 5.459 7.293 ( 0.646 2.783 -1.531) 3.241 7.393 ( 0.778 2.762 0.009) 2.870 7.567 ( -0.155 3.293 0.642) 3.359 8.049 ( -0.406 1.094 -0.073) 1.169 8.144 ( 0.029 -4.377 -0.072) 4.377 ======================= Grid point 342 (163/242) ======================= q-point: (-0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -6.290 1.517 0.041) 6.470 1.025 ( 0.520 3.962 -0.653) 4.049 1.148 ( -2.200 8.237 0.368) 8.533 1.245 ( 1.437 -1.226 1.092) 2.181 1.357 ( 4.380 2.714 0.030) 5.153 1.444 ( 3.666 -1.086 -2.205) 4.414 1.597 ( -0.194 5.401 -2.748) 6.063 1.682 ( -0.878 1.562 -0.882) 1.997 1.757 ( -0.735 0.245 1.118) 1.360 1.828 ( -0.143 -0.726 -2.021) 2.152 1.852 ( -0.700 2.685 -0.033) 2.775 1.929 ( -1.709 3.199 1.117) 3.795 2.012 ( -0.704 2.352 -0.161) 2.460 2.090 ( 6.546 -1.046 -0.550) 6.652 2.203 ( 0.199 -1.027 1.225) 1.611 2.268 ( -0.325 -1.268 1.150) 1.742 2.391 ( -0.193 -1.205 1.177) 1.695 2.505 ( 2.506 -1.837 -0.306) 3.122 2.626 ( 0.712 1.396 -0.621) 1.685 2.847 ( -3.674 -0.016 1.166) 3.855 2.928 ( 1.109 3.554 -0.240) 3.731 3.065 ( 0.128 2.675 -0.039) 2.678 3.121 ( -0.782 0.695 -0.637) 1.225 3.188 ( 1.228 -0.626 0.270) 1.405 5.562 ( -1.596 4.880 1.866) 5.463 5.783 ( -0.000 1.943 -2.832) 3.435 6.400 ( -4.178 9.131 -1.567) 10.163 6.461 ( -0.058 12.721 -1.661) 12.829 6.804 ( 1.041 9.470 1.416) 9.632 6.899 ( 1.769 9.519 -1.663) 9.824 7.058 ( -1.671 9.202 2.659) 9.723 7.197 ( 2.397 6.730 -1.753) 7.356 7.354 ( 2.213 2.055 0.243) 3.030 7.491 ( -0.061 4.151 0.834) 4.234 8.034 ( -0.805 -0.014 -0.510) 0.953 8.225 ( -0.561 -3.903 0.207) 3.949 ======================= Grid point 347 (164/242) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.303 -0.000 -8.934) 9.029 0.951 ( -0.130 -0.000 2.431) 2.434 1.140 ( -4.098 -0.000 -3.066) 5.118 1.161 ( -0.907 -0.000 1.353) 1.629 1.201 ( 0.818 0.000 -9.694) 9.728 1.205 ( 0.197 0.000 2.737) 2.744 1.346 ( 3.130 0.000 2.567) 4.048 1.572 ( 2.123 0.000 4.091) 4.610 1.626 ( 0.708 0.000 -4.425) 4.481 1.746 ( 7.354 0.000 -0.456) 7.368 1.828 ( 3.058 0.000 -1.962) 3.633 1.881 ( 1.293 0.000 4.860) 5.029 2.019 ( -0.940 -0.000 2.356) 2.537 2.052 ( 2.229 0.000 4.173) 4.730 2.219 ( 2.044 0.000 -1.976) 2.843 2.278 ( 6.667 0.000 -0.547) 6.690 2.321 ( 1.881 0.000 -2.764) 3.344 2.409 ( -2.991 -0.000 -0.683) 3.068 2.508 ( -4.970 -0.000 2.511) 5.568 2.691 ( -0.947 -0.000 -0.179) 0.964 2.872 ( -5.198 -0.000 0.635) 5.237 3.037 ( -0.017 -0.000 0.065) 0.067 3.099 ( 1.376 0.000 -0.293) 1.407 3.330 ( 2.742 0.000 0.027) 2.742 4.478 ( 2.917 0.000 -2.713) 3.983 5.166 ( -5.029 -0.000 -0.768) 5.088 5.498 ( -13.521 -0.000 -5.010) 14.420 5.768 ( -0.782 -0.000 0.719) 1.063 5.802 ( -2.815 -0.000 -3.204) 4.265 6.388 ( 3.087 0.000 0.083) 3.088 6.694 ( 2.778 0.000 -0.991) 2.950 7.168 ( -0.687 -0.000 1.806) 1.932 7.380 ( 8.516 0.000 -4.220) 9.504 7.621 ( 2.541 0.000 2.017) 3.244 8.067 ( 0.387 0.000 -1.065) 1.134 8.368 ( -2.383 -0.000 1.310) 2.720 ======================= Grid point 348 (165/242) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -1.758 0.638 -4.298) 4.688 0.988 ( -2.367 -4.001 -1.041) 4.764 1.078 ( 2.396 4.591 -4.110) 6.611 1.171 ( 1.730 -1.596 2.963) 3.784 1.216 ( -2.733 -6.314 -1.673) 7.080 1.307 ( -0.685 -6.558 -2.111) 6.923 1.424 ( 3.121 -4.328 2.028) 5.709 1.547 ( 0.410 1.712 -0.212) 1.773 1.651 ( 1.043 -2.266 -1.329) 2.826 1.793 ( -0.037 -1.979 -1.736) 2.632 1.867 ( 7.570 -1.413 -1.550) 7.856 1.908 ( 3.518 -0.000 5.470) 6.504 1.992 ( 0.867 2.915 0.516) 3.085 2.079 ( -1.052 -3.414 3.419) 4.945 2.175 ( 4.796 4.709 -1.038) 6.801 2.310 ( -0.474 0.153 -3.427) 3.463 2.391 ( -2.956 -2.395 -0.704) 3.868 2.461 ( 0.796 -2.004 1.653) 2.717 2.485 ( -2.765 -6.883 0.156) 7.419 2.682 ( 0.195 -0.442 -0.096) 0.492 2.837 ( -3.367 0.574 0.157) 3.419 3.019 ( 0.681 4.139 -0.466) 4.220 3.123 ( -0.149 -3.545 0.142) 3.551 3.321 ( 2.571 2.082 0.375) 3.330 4.771 ( 0.422 -25.560 -1.954) 25.638 5.274 ( -1.897 -10.963 -0.095) 11.126 5.401 ( -10.490 -0.402 -4.835) 11.558 5.729 ( -0.615 -0.873 -1.531) 1.866 5.951 ( -2.859 -11.992 -0.627) 12.344 6.464 ( 1.937 -5.621 0.220) 5.949 6.742 ( 2.838 -3.596 -0.292) 4.590 7.165 ( -1.873 -0.236 0.808) 2.054 7.406 ( 9.002 1.022 -3.803) 9.826 7.610 ( 1.111 2.027 1.599) 2.811 8.042 ( 0.260 2.454 -0.828) 2.603 8.340 ( -2.316 1.789 1.283) 3.195 ======================= Grid point 349 (166/242) ======================= q-point: (-0.50 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.228 2.486 1.099) 2.728 0.997 ( -1.289 1.658 0.779) 2.240 1.060 ( 2.196 -2.442 -1.014) 3.437 1.240 ( 2.012 -3.689 1.634) 4.509 1.333 ( -2.477 -6.469 -1.709) 7.135 1.427 ( 1.636 -3.708 0.617) 4.100 1.522 ( 3.321 -3.391 2.892) 5.558 1.582 ( -1.784 -5.908 -3.292) 6.995 1.714 ( 1.605 -3.592 -0.483) 3.964 1.812 ( -1.159 -1.201 -2.697) 3.172 1.897 ( 2.064 1.666 -0.884) 2.796 1.924 ( 1.473 0.752 1.836) 2.472 1.983 ( 4.437 -0.868 2.376) 5.108 2.075 ( 2.927 6.869 -0.543) 7.486 2.184 ( -1.482 -6.632 -0.828) 6.846 2.302 ( -2.946 -0.814 -1.473) 3.392 2.354 ( -3.308 -0.476 -0.926) 3.468 2.525 ( -1.138 -0.659 0.558) 1.428 2.626 ( 1.386 -6.389 -0.221) 6.541 2.739 ( 1.829 -3.949 0.622) 4.396 2.836 ( -2.251 -1.723 -0.317) 2.852 2.912 ( 0.037 5.145 -0.485) 5.168 3.201 ( 0.176 -3.591 0.236) 3.604 3.283 ( 1.981 2.954 0.628) 3.611 5.302 ( -2.170 -12.106 0.401) 12.305 5.373 ( -0.827 -19.922 -3.495) 20.243 5.584 ( -2.105 -14.655 1.552) 14.886 5.795 ( -0.967 -6.960 -2.115) 7.338 6.225 ( -1.723 -16.980 0.517) 17.075 6.609 ( 1.616 -7.823 0.142) 7.990 6.860 ( 1.960 -6.743 0.803) 7.068 7.168 ( -1.815 -1.204 -0.256) 2.193 7.428 ( 6.906 0.146 -2.991) 7.528 7.579 ( 0.692 1.553 1.003) 1.974 7.979 ( -0.821 3.247 -0.762) 3.435 8.286 ( -1.802 2.570 1.017) 3.300 ======================= Grid point 350 (167/242) ======================= q-point: (-0.42 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 2.181 3.478 3.855) 5.631 1.003 ( -1.378 -2.376 2.162) 3.496 1.119 ( 2.109 -2.291 0.216) 3.121 1.342 ( 1.843 -5.347 0.554) 5.683 1.421 ( -2.217 -3.886 -0.857) 4.555 1.506 ( 0.523 -3.785 0.650) 3.876 1.609 ( 3.835 -2.990 3.235) 5.841 1.651 ( -0.405 -1.630 -1.178) 2.051 1.786 ( -0.666 -2.415 -2.133) 3.291 1.824 ( 2.812 -0.476 -1.354) 3.157 1.875 ( -1.244 -0.322 -2.047) 2.417 1.896 ( -1.672 2.256 0.024) 2.808 1.966 ( 1.864 4.267 0.194) 4.661 2.029 ( 1.297 -0.718 2.161) 2.621 2.264 ( -3.387 -2.920 -0.378) 4.488 2.353 ( -2.741 -1.573 -0.910) 3.289 2.360 ( 2.777 -3.734 -1.667) 4.943 2.529 ( -1.915 -1.757 0.055) 2.600 2.678 ( 0.783 3.432 -0.578) 3.568 2.796 ( 0.767 0.653 0.612) 1.179 2.810 ( -0.182 -1.915 -0.332) 1.952 2.939 ( -0.282 -5.056 -0.049) 5.064 3.235 ( 0.734 2.378 0.974) 2.672 3.255 ( 0.614 -1.346 0.165) 1.488 5.385 ( -1.795 -5.751 0.153) 6.027 5.744 ( 2.449 -4.349 0.155) 4.994 5.934 ( -0.408 -24.174 0.831) 24.192 6.018 ( -0.467 -16.082 -0.119) 16.089 6.580 ( -0.434 -18.447 1.133) 18.487 6.780 ( 1.734 -8.520 -0.402) 8.704 7.012 ( 0.145 -7.221 1.904) 7.470 7.193 ( -0.912 -2.129 -1.256) 2.634 7.462 ( 2.374 -1.721 -1.733) 3.406 7.565 ( 1.184 0.587 0.463) 1.400 7.919 ( -1.118 1.706 -0.738) 2.169 8.229 ( -0.847 2.641 0.727) 2.868 ======================= Grid point 351 (168/242) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 1.560 0.720 2.918) 3.386 1.058 ( 0.936 -2.044 2.208) 3.151 1.171 ( 1.654 -1.927 -0.375) 2.567 1.446 ( -2.742 -3.002 1.025) 4.193 1.477 ( 2.765 -2.987 -0.217) 4.076 1.544 ( -1.795 -0.360 -1.308) 2.250 1.658 ( 1.472 -0.618 0.596) 1.704 1.703 ( 2.324 -3.174 1.503) 4.211 1.784 ( -1.155 0.238 -1.153) 1.650 1.819 ( -0.768 3.057 0.240) 3.161 1.875 ( 0.251 -2.513 -0.009) 2.526 1.894 ( -0.811 -1.488 -1.421) 2.211 1.959 ( 0.710 -2.543 -0.137) 2.644 2.018 ( 0.597 2.329 2.427) 3.416 2.266 ( -1.310 2.091 1.460) 2.867 2.321 ( -0.513 1.728 -3.953) 4.344 2.469 ( 0.423 -4.868 -0.489) 4.911 2.563 ( -0.695 5.178 -0.053) 5.224 2.591 ( -0.921 -3.428 0.153) 3.553 2.777 ( 0.041 2.219 0.534) 2.283 2.865 ( 0.265 -3.601 -1.314) 3.842 3.034 ( 0.216 -4.174 0.325) 4.192 3.203 ( 0.151 1.347 1.108) 1.751 3.265 ( 0.101 0.545 0.184) 0.584 5.514 ( -0.354 -7.316 1.203) 7.423 5.788 ( 1.230 -0.164 -0.661) 1.406 6.260 ( 0.300 -11.960 2.878) 12.305 6.409 ( 1.794 -17.982 -0.420) 18.076 6.912 ( -0.053 -14.381 1.236) 14.434 6.955 ( 1.305 -8.434 -0.783) 8.570 7.129 ( -2.160 -4.234 2.477) 5.359 7.232 ( 0.468 -2.204 -2.267) 3.197 7.513 ( -0.875 -3.044 -0.368) 3.189 7.556 ( 0.704 1.124 0.146) 1.334 7.911 ( 0.189 -1.506 -0.756) 1.695 8.177 ( -0.108 2.584 0.542) 2.643 ======================= Grid point 352 (169/242) ======================= q-point: (-0.25 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.219 -3.592 1.183) 3.788 1.081 ( 2.820 1.317 0.842) 3.224 1.210 ( 1.203 -1.445 -1.098) 2.177 1.432 ( -3.027 2.767 0.996) 4.220 1.479 ( -0.233 0.940 0.540) 1.109 1.598 ( 0.286 -2.995 -1.819) 3.515 1.685 ( 1.543 -0.990 0.293) 1.857 1.740 ( -0.980 2.287 0.229) 2.499 1.768 ( -0.889 -3.184 -0.975) 3.446 1.818 ( 1.264 -1.919 1.578) 2.787 1.893 ( -1.153 1.468 0.480) 1.927 1.917 ( -0.520 -1.694 -0.966) 2.018 1.970 ( -0.865 0.842 1.777) 2.148 2.049 ( 3.170 -2.304 -0.006) 3.918 2.193 ( -1.739 3.089 1.558) 3.872 2.291 ( 2.665 0.793 -2.971) 4.069 2.446 ( -3.291 3.929 -0.485) 5.148 2.532 ( 0.054 0.622 -0.399) 0.741 2.631 ( 0.822 -0.224 0.248) 0.887 2.766 ( -2.387 -2.521 1.105) 3.643 2.935 ( 1.883 -3.021 -1.255) 3.775 3.101 ( 0.191 -2.394 0.375) 2.431 3.185 ( -0.497 0.758 0.840) 1.236 3.239 ( -0.219 2.060 0.164) 2.078 5.655 ( 0.102 -6.362 0.967) 6.436 5.775 ( 0.997 1.723 -0.756) 2.129 6.453 ( -0.366 -6.799 3.119) 7.489 6.667 ( 1.993 -7.410 -1.472) 7.813 7.098 ( 1.432 -2.708 2.036) 3.678 7.127 ( -1.048 -7.747 -0.402) 7.828 7.191 ( -2.864 -5.279 0.395) 6.019 7.258 ( 1.283 0.140 -1.798) 2.214 7.509 ( -0.915 2.366 0.454) 2.578 7.579 ( -0.476 -2.529 -0.092) 2.575 7.970 ( 1.135 -3.876 -0.603) 4.083 8.128 ( -0.024 2.526 0.416) 2.560 ======================= Grid point 353 (170/242) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.899 -4.834 0.683) 5.238 1.048 ( 3.472 2.834 -0.606) 4.523 1.230 ( 0.830 -0.085 -0.681) 1.077 1.358 ( -2.257 2.954 0.046) 3.718 1.462 ( -0.379 0.951 0.397) 1.098 1.568 ( 0.943 5.365 -0.404) 5.462 1.681 ( -0.260 -0.340 -0.841) 0.944 1.755 ( 0.408 -0.100 2.401) 2.437 1.815 ( -0.835 -0.109 -1.107) 1.391 1.836 ( -0.566 1.291 -0.640) 1.548 1.876 ( 0.494 -3.231 -0.472) 3.303 1.944 ( -1.729 -1.981 -1.305) 2.935 1.982 ( 0.020 -1.784 1.134) 2.114 2.029 ( -0.023 3.284 0.290) 3.297 2.176 ( 5.069 1.247 0.845) 5.288 2.299 ( 0.409 0.927 0.024) 1.013 2.386 ( -2.572 -1.617 -0.755) 3.130 2.470 ( -0.320 3.951 -0.327) 3.977 2.645 ( 0.258 -0.633 -0.836) 1.080 2.817 ( -2.573 -2.560 2.408) 4.356 2.989 ( 2.903 -1.166 -0.942) 3.267 3.132 ( -0.143 -0.682 -0.027) 0.697 3.168 ( -1.085 0.855 0.381) 1.433 3.190 ( 0.116 2.462 0.338) 2.488 5.729 ( 0.607 3.165 -0.153) 3.226 5.757 ( -0.185 -3.584 -0.272) 3.599 6.532 ( -2.283 -1.206 2.743) 3.767 6.735 ( 2.006 0.602 -2.527) 3.282 7.078 ( 0.485 3.826 1.858) 4.281 7.195 ( -0.556 2.774 -1.520) 3.212 7.247 ( 0.646 -0.196 0.833) 1.073 7.279 ( -1.047 -3.340 -1.012) 3.644 7.455 ( 0.253 2.746 0.136) 2.761 7.603 ( -0.411 0.181 0.304) 0.542 8.056 ( 0.602 -3.883 -0.258) 3.938 8.082 ( -0.294 1.730 0.156) 1.762 ======================= Grid point 354 (171/242) ======================= q-point: (-0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -5.173 2.068 1.369) 5.737 1.049 ( 2.320 -0.946 -2.481) 3.526 1.219 ( -1.058 1.273 1.259) 2.080 1.286 ( 0.517 3.544 -0.153) 3.585 1.440 ( 0.489 1.592 0.047) 1.666 1.474 ( 5.695 4.106 -0.441) 7.035 1.687 ( -1.572 0.316 -1.132) 1.963 1.699 ( 0.239 4.264 0.132) 4.273 1.785 ( 1.304 1.856 0.435) 2.309 1.822 ( -1.053 0.558 -1.327) 1.783 1.895 ( -1.089 1.905 -0.008) 2.194 1.953 ( -2.155 -0.090 -0.742) 2.280 1.998 ( -1.990 -1.027 0.500) 2.294 2.066 ( 0.530 -4.968 -0.246) 5.002 2.187 ( 8.953 0.735 0.584) 9.002 2.264 ( -2.912 0.555 1.438) 3.295 2.400 ( -0.738 1.715 -1.849) 2.628 2.463 ( 2.458 -3.631 0.672) 4.436 2.646 ( -0.535 0.316 -0.534) 0.819 2.834 ( -2.869 -0.109 1.887) 3.436 2.994 ( 1.769 2.000 -0.528) 2.721 3.120 ( -0.378 2.839 0.118) 2.867 3.128 ( -0.687 0.526 -0.305) 0.918 3.182 ( 1.146 -0.613 0.477) 1.385 5.652 ( -0.643 4.584 0.825) 4.702 5.794 ( -0.167 -0.462 -1.475) 1.555 6.493 ( -4.273 3.796 1.824) 5.999 6.664 ( 1.520 7.139 -2.496) 7.714 6.981 ( 1.785 6.993 1.541) 7.379 7.079 ( 1.666 7.809 -1.731) 8.170 7.201 ( -1.491 5.109 1.798) 5.618 7.290 ( 0.063 1.937 -1.512) 2.458 7.411 ( 2.258 2.302 0.172) 3.229 7.567 ( -0.279 3.152 0.471) 3.199 8.040 ( -1.053 1.274 -0.103) 1.656 8.144 ( -0.137 -4.094 -0.026) 4.096 ======================= Grid point 360 (172/242) ======================= q-point: (-0.58 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.907 -0.000 -8.324) 8.817 0.911 ( -6.057 -0.000 -3.217) 6.858 1.088 ( -2.709 -0.000 -3.368) 4.322 1.155 ( -1.883 -0.000 -4.343) 4.734 1.195 ( 4.607 0.000 -1.152) 4.749 1.202 ( -0.985 -0.000 -0.478) 1.094 1.411 ( 4.618 0.000 5.764) 7.386 1.603 ( -0.942 -0.000 -4.101) 4.208 1.608 ( 1.454 0.000 3.449) 3.743 1.772 ( -0.745 -0.000 -1.555) 1.724 1.863 ( 3.462 0.000 -0.859) 3.567 1.947 ( 5.984 0.000 5.140) 7.888 2.032 ( 1.297 0.000 3.580) 3.808 2.080 ( 0.168 0.000 2.515) 2.521 2.221 ( 0.126 0.000 -2.668) 2.671 2.316 ( 0.110 0.000 -0.701) 0.710 2.331 ( 1.823 0.000 -2.511) 3.103 2.379 ( -1.794 -0.000 -0.628) 1.901 2.477 ( -1.875 -0.000 2.517) 3.139 2.679 ( -0.894 -0.000 -0.249) 0.928 2.828 ( -3.300 -0.000 0.354) 3.319 3.038 ( 0.033 0.000 0.080) 0.087 3.110 ( 0.813 0.000 -0.206) 0.839 3.354 ( 1.590 0.000 0.274) 1.614 4.486 ( 1.132 0.000 -3.208) 3.402 5.121 ( -2.752 -0.000 -0.507) 2.799 5.349 ( -9.615 -0.000 -6.179) 11.429 5.765 ( -1.291 0.000 -2.288) 2.627 5.765 ( -0.677 0.000 -0.265) 0.727 6.414 ( 1.674 0.000 0.064) 1.675 6.722 ( 3.062 0.000 -0.315) 3.079 7.150 ( -2.997 -0.000 0.628) 3.062 7.456 ( 7.434 0.000 -3.158) 8.077 7.636 ( 0.055 0.000 0.446) 0.449 8.074 ( 1.191 0.000 -0.184) 1.205 8.351 ( -1.848 -0.000 1.481) 2.368 ======================= Grid point 361 (173/242) ======================= q-point: (-0.50 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -3.713 -1.291 -2.081) 4.448 0.935 ( -4.998 -5.885 -4.121) 8.752 1.077 ( 1.793 1.658 -4.117) 4.786 1.174 ( -3.231 -5.845 -2.706) 7.206 1.211 ( 3.055 -1.592 1.289) 3.678 1.299 ( 0.669 -7.590 -0.795) 7.661 1.478 ( 3.759 -3.059 3.944) 6.248 1.539 ( -0.796 2.602 -1.154) 2.955 1.659 ( 0.560 -2.710 0.241) 2.778 1.770 ( -2.262 -0.928 -1.645) 2.947 1.918 ( 1.880 -2.724 1.216) 3.526 1.980 ( 3.558 4.023 0.716) 5.419 2.010 ( 3.952 -0.805 2.780) 4.899 2.071 ( -2.629 -1.057 1.824) 3.370 2.206 ( 0.787 4.193 -0.461) 4.291 2.289 ( -0.584 1.148 -2.446) 2.764 2.335 ( -4.579 -0.317 -1.192) 4.743 2.464 ( -1.468 -5.936 0.546) 6.139 2.494 ( 2.810 -4.570 0.679) 5.408 2.684 ( 0.487 -1.618 -0.124) 1.694 2.810 ( -1.490 0.181 -0.138) 1.507 3.022 ( 0.143 4.400 -0.433) 4.424 3.122 ( -0.139 -3.479 0.249) 3.491 3.342 ( 0.890 1.887 0.460) 2.136 4.767 ( 0.542 -25.571 -2.075) 25.661 5.265 ( 0.069 -13.938 0.077) 13.939 5.286 ( -6.620 -0.318 -4.814) 8.192 5.717 ( -0.185 -0.945 -1.891) 2.122 5.928 ( -1.296 -11.877 -0.292) 11.952 6.479 ( 0.762 -5.505 0.108) 5.558 6.772 ( 2.900 -3.503 0.013) 4.548 7.138 ( -3.007 -0.398 0.268) 3.045 7.467 ( 3.426 1.029 -2.485) 4.356 7.619 ( 1.525 1.788 -0.335) 2.374 8.045 ( 0.362 3.156 -0.088) 3.178 8.326 ( -1.164 1.858 1.337) 2.568 ======================= Grid point 362 (174/242) ======================= q-point: (-0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.319 -0.500 3.252) 3.306 0.963 ( -4.063 -0.307 -1.695) 4.413 1.087 ( 3.280 -2.253 -1.240) 4.168 1.257 ( -1.658 -3.831 1.605) 4.472 1.303 ( -0.081 -6.128 -1.687) 6.356 1.446 ( 1.346 -3.564 0.821) 3.897 1.549 ( -1.103 -6.448 -3.610) 7.471 1.579 ( 3.613 -3.622 4.444) 6.777 1.724 ( 0.541 -3.329 -0.562) 3.419 1.782 ( -2.366 -2.124 -2.215) 3.875 1.907 ( 0.813 3.438 -2.245) 4.186 1.941 ( 1.037 1.897 0.419) 2.202 2.025 ( -0.165 0.115 3.888) 3.893 2.092 ( -0.024 5.989 0.315) 5.997 2.150 ( -3.639 -5.221 -1.164) 6.469 2.272 ( -1.620 -1.978 -0.161) 2.562 2.331 ( 0.716 -1.391 -1.959) 2.507 2.516 ( -0.712 -0.272 0.461) 0.891 2.639 ( 0.715 -6.407 -0.194) 6.450 2.756 ( 0.373 -3.995 0.548) 4.049 2.824 ( 0.868 -1.686 -0.612) 1.993 2.909 ( -0.321 4.987 -0.404) 5.014 3.202 ( -0.250 -3.660 0.308) 3.681 3.297 ( 0.147 2.796 0.557) 2.855 5.276 ( -1.963 -5.393 -1.031) 5.831 5.366 ( 1.682 -29.287 -1.817) 29.392 5.589 ( 1.427 -15.185 1.440) 15.319 5.782 ( 0.250 -6.523 -2.287) 6.917 6.215 ( -0.652 -17.513 0.667) 17.538 6.620 ( 0.396 -8.091 -0.061) 8.101 6.884 ( 1.852 -6.215 0.754) 6.529 7.141 ( -2.640 -1.583 -0.154) 3.082 7.450 ( -1.782 0.326 -1.757) 2.524 7.594 ( 2.904 1.615 -0.529) 3.365 7.971 ( -0.409 3.727 -0.282) 3.760 8.280 ( -0.124 2.555 0.952) 2.730 ======================= Grid point 363 (175/242) ======================= q-point: (-0.33 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.891 3.692 3.055) 5.596 0.996 ( -0.907 -4.496 1.649) 4.874 1.143 ( 2.421 -1.915 -0.450) 3.119 1.338 ( -4.027 -5.293 1.058) 6.735 1.405 ( 0.512 -4.505 -0.587) 4.572 1.508 ( -0.482 -2.891 0.472) 2.968 1.643 ( 1.138 -2.560 -0.710) 2.890 1.672 ( 3.291 -2.543 2.574) 4.891 1.773 ( 0.176 -1.314 -1.388) 1.920 1.820 ( -2.994 -3.173 -2.809) 5.188 1.857 ( 0.360 0.770 -1.985) 2.160 1.877 ( -1.395 3.546 0.419) 3.834 1.974 ( -0.042 3.037 0.211) 3.045 2.061 ( 2.013 0.773 2.003) 2.943 2.218 ( -5.378 -5.786 0.389) 7.909 2.316 ( -3.407 -1.012 -0.528) 3.593 2.378 ( 2.113 -3.122 -1.577) 4.086 2.524 ( 0.855 -1.466 0.317) 1.726 2.681 ( 0.191 3.849 -0.618) 3.903 2.803 ( -0.996 -0.482 0.810) 1.372 2.806 ( 0.806 -1.044 -0.643) 1.467 2.945 ( 1.434 -4.920 -0.231) 5.130 3.235 ( -1.391 1.284 0.818) 2.062 3.262 ( 0.280 -0.440 0.131) 0.538 5.374 ( -0.398 -6.635 0.392) 6.658 5.764 ( 1.255 -3.222 -0.310) 3.472 5.949 ( 2.865 -24.825 0.517) 24.995 6.027 ( 2.259 -16.872 -0.594) 17.033 6.582 ( -0.226 -18.652 1.141) 18.688 6.788 ( 0.100 -8.657 -0.710) 8.686 7.021 ( -0.061 -6.312 1.967) 6.612 7.173 ( -1.785 -2.802 -0.957) 3.458 7.445 ( -4.080 -2.139 -1.034) 4.722 7.580 ( 0.905 1.123 -0.148) 1.449 7.915 ( 0.941 1.572 -0.589) 1.925 8.232 ( 0.701 2.682 0.638) 2.845 ======================= Grid point 364 (176/242) ======================= q-point: (-0.25 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 1.998 1.658 1.652) 3.077 1.086 ( 2.816 -2.729 1.654) 4.256 1.186 ( 1.688 -1.424 -1.053) 2.447 1.402 ( -5.799 -3.214 1.724) 6.850 1.502 ( 0.901 -5.224 -2.122) 5.710 1.520 ( -1.029 1.776 0.528) 2.119 1.680 ( 2.215 -0.963 -0.089) 2.417 1.720 ( 0.757 -1.280 -0.660) 1.627 1.768 ( -2.903 1.244 1.114) 3.349 1.814 ( 0.498 0.258 0.807) 0.983 1.853 ( -2.932 -2.140 -1.859) 4.078 1.892 ( 1.069 -2.176 -0.186) 2.431 1.963 ( 0.209 -1.068 0.369) 1.149 2.050 ( 2.912 0.898 1.575) 3.430 2.256 ( -2.194 3.647 0.181) 4.260 2.292 ( -1.609 -2.053 -1.866) 3.207 2.455 ( -2.367 -2.933 -0.335) 3.783 2.558 ( -0.447 1.790 -0.115) 1.849 2.596 ( 1.573 -0.416 0.461) 1.691 2.769 ( -1.734 2.463 0.381) 3.036 2.874 ( 2.288 -3.810 -1.009) 4.557 3.041 ( 0.773 -3.924 0.172) 4.003 3.201 ( -1.293 1.143 0.752) 1.883 3.264 ( -0.473 0.609 0.169) 0.790 5.520 ( 0.360 -7.491 1.212) 7.597 5.798 ( 1.347 -0.081 -1.127) 1.758 6.283 ( 1.840 -11.552 2.305) 11.923 6.433 ( 3.202 -17.605 -1.246) 17.937 6.914 ( -0.755 -14.203 0.988) 14.257 6.956 ( -0.107 -9.009 -1.173) 9.086 7.115 ( -2.711 -2.995 2.963) 5.010 7.225 ( 0.043 -3.127 -2.114) 3.775 7.489 ( -3.112 -3.814 0.020) 4.923 7.552 ( -1.631 1.185 -0.027) 2.016 7.923 ( 2.574 -1.518 -0.698) 3.068 8.183 ( 0.808 2.812 0.472) 2.964 ======================= Grid point 365 (177/242) ======================= q-point: (-0.17 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 1.303 -2.523 0.987) 3.006 1.116 ( 3.206 1.726 -0.593) 3.689 1.218 ( 1.309 -1.421 -1.160) 2.254 1.397 ( -4.544 1.710 1.498) 5.081 1.474 ( -0.843 0.958 0.267) 1.304 1.589 ( -0.610 -2.849 -1.564) 3.307 1.696 ( -0.616 1.733 -0.330) 1.868 1.729 ( 0.445 -2.252 -0.250) 2.309 1.759 ( -0.452 -1.879 0.357) 1.965 1.840 ( 1.574 -1.055 0.800) 2.057 1.869 ( -2.796 -0.522 0.113) 2.847 1.917 ( 0.614 0.140 -0.180) 0.655 1.970 ( -0.342 -0.105 1.090) 1.147 2.084 ( 3.255 0.521 -0.615) 3.353 2.185 ( -0.929 -0.008 1.299) 1.597 2.309 ( 2.513 -0.352 -2.641) 3.663 2.405 ( -4.107 3.976 0.517) 5.740 2.524 ( -1.469 1.775 -0.056) 2.305 2.636 ( 0.094 -0.266 -0.569) 0.636 2.751 ( -1.428 -2.554 1.817) 3.444 2.958 ( 3.194 -3.200 -0.975) 4.625 3.104 ( 0.137 -2.181 0.175) 2.192 3.177 ( -1.406 0.750 0.501) 1.671 3.235 ( -0.609 1.939 0.248) 2.047 5.660 ( 0.056 -6.049 0.821) 6.104 5.784 ( 1.477 1.852 -1.061) 2.596 6.466 ( 0.420 -5.726 2.689) 6.340 6.682 ( 2.136 -6.886 -2.084) 7.505 7.109 ( -1.597 -7.497 -0.846) 7.712 7.122 ( 0.464 -1.095 2.627) 2.883 7.157 ( -3.149 -7.372 -0.148) 8.018 7.266 ( 1.393 -0.524 -1.431) 2.065 7.494 ( -2.134 1.474 0.466) 2.635 7.570 ( -0.973 -2.942 -0.004) 3.098 7.986 ( 2.212 -3.356 -0.540) 4.056 8.131 ( 0.242 2.898 0.362) 2.930 ======================= Grid point 366 (178/242) ======================= q-point: (-0.08 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.500 -2.761 1.204) 3.053 1.069 ( 0.992 2.774 -1.700) 3.402 1.238 ( 0.945 0.241 -0.253) 1.008 1.336 ( -1.319 2.053 -0.220) 2.450 1.461 ( 0.055 0.651 0.546) 0.851 1.576 ( 0.698 2.964 -0.157) 3.049 1.672 ( -0.563 -0.137 -1.029) 1.181 1.770 ( -0.156 0.814 2.792) 2.913 1.807 ( 0.492 -0.923 -0.594) 1.203 1.829 ( -0.300 1.187 -0.169) 1.236 1.874 ( -0.354 -2.275 -0.569) 2.371 1.918 ( -1.452 -0.773 -1.962) 2.560 1.987 ( -0.074 -1.186 0.880) 1.479 2.036 ( 0.859 2.899 0.274) 3.036 2.231 ( 4.057 -0.930 0.147) 4.165 2.307 ( 0.178 3.857 1.181) 4.038 2.353 ( -1.778 -3.692 -1.503) 4.364 2.467 ( -0.140 2.221 0.035) 2.225 2.632 ( -1.544 -0.450 -1.294) 2.064 2.809 ( -0.927 -2.146 2.540) 3.452 3.015 ( 2.372 -0.805 -0.867) 2.651 3.128 ( -0.483 -0.309 -0.176) 0.599 3.158 ( -0.963 0.780 0.261) 1.267 3.193 ( 0.149 1.668 0.606) 1.781 5.735 ( 0.677 3.499 -0.320) 3.579 5.753 ( -0.329 -3.190 -0.152) 3.210 6.523 ( -1.695 0.196 2.819) 3.295 6.743 ( 1.519 0.654 -2.518) 3.012 7.092 ( 0.462 3.145 1.904) 3.706 7.181 ( -0.797 0.818 -0.925) 1.469 7.255 ( 0.104 1.279 0.102) 1.287 7.265 ( -0.147 -3.400 -1.035) 3.557 7.458 ( 0.123 1.554 0.182) 1.569 7.600 ( -0.390 -0.013 0.328) 0.510 8.063 ( 0.672 -2.416 -0.199) 2.516 8.078 ( -0.372 1.238 0.106) 1.297 ======================= Grid point 373 (179/242) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -5.329 -0.000 -6.105) 8.103 0.815 ( -8.827 -0.000 -3.452) 9.478 1.058 ( -0.190 -0.000 -3.286) 3.291 1.119 ( 0.181 0.000 -6.291) 6.293 1.191 ( -0.295 -0.000 -0.792) 0.845 1.243 ( 3.868 0.000 1.244) 4.063 1.481 ( 3.752 0.000 5.140) 6.364 1.571 ( -2.235 -0.000 -2.819) 3.597 1.632 ( 0.697 0.000 2.417) 2.515 1.742 ( -4.045 -0.000 -0.024) 4.045 1.868 ( -2.184 -0.000 0.178) 2.191 2.021 ( 2.746 0.000 4.355) 5.149 2.075 ( -0.459 -0.000 1.959) 2.012 2.089 ( 4.974 0.000 1.107) 5.095 2.196 ( -2.532 -0.000 -2.271) 3.401 2.294 ( -3.195 -0.000 -0.473) 3.230 2.321 ( -0.807 -0.000 -1.096) 1.361 2.369 ( 0.497 0.000 -0.746) 0.897 2.493 ( 2.246 0.000 1.001) 2.459 2.674 ( 0.418 0.000 -0.235) 0.480 2.809 ( -0.497 -0.000 0.285) 0.572 3.038 ( 0.060 0.000 0.067) 0.090 3.113 ( -0.268 -0.000 -0.128) 0.297 3.364 ( -0.183 -0.000 0.440) 0.476 4.473 ( -0.876 -0.000 -2.903) 3.032 5.105 ( 0.213 0.000 -0.432) 0.482 5.247 ( -4.693 -0.000 -5.173) 6.984 5.740 ( -0.467 -0.000 -2.961) 2.997 5.765 ( -0.073 -0.000 0.630) 0.634 6.424 ( 0.077 0.000 0.033) 0.084 6.752 ( 2.890 0.000 -0.512) 2.935 7.121 ( -2.640 -0.000 0.681) 2.727 7.478 ( -1.898 -0.000 -1.615) 2.492 7.653 ( 4.309 0.000 -1.719) 4.640 8.083 ( 0.217 0.000 0.242) 0.325 8.345 ( -0.347 -0.000 1.471) 1.511 ======================= Grid point 374 (180/242) ======================= q-point: (-0.42 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -5.203 -3.940 1.857) 6.785 0.852 ( -6.811 -8.142 -4.620) 11.577 1.086 ( 2.820 0.775 -3.885) 4.863 1.134 ( -1.299 -5.721 -2.163) 6.253 1.238 ( 2.035 -2.962 -0.643) 3.651 1.314 ( 2.002 -6.736 0.336) 7.035 1.504 ( -1.124 1.529 -1.599) 2.482 1.547 ( 1.940 -1.614 4.000) 4.729 1.659 ( -0.911 -2.427 0.423) 2.627 1.732 ( -4.384 -1.194 -0.050) 4.544 1.904 ( -5.478 -4.034 0.546) 6.824 2.001 ( 2.225 4.611 -0.222) 5.125 2.035 ( -2.597 1.959 1.438) 3.557 2.093 ( 5.244 -1.558 1.809) 5.762 2.183 ( -4.130 4.149 0.197) 5.857 2.253 ( -4.001 1.440 -0.586) 4.292 2.334 ( 4.347 -1.514 -1.848) 4.961 2.458 ( -0.264 -4.988 0.878) 5.071 2.515 ( 0.969 -4.003 -0.306) 4.130 2.690 ( 0.714 -1.930 -0.224) 2.071 2.808 ( 1.460 -0.093 -0.109) 1.467 3.017 ( -0.708 4.737 -0.315) 4.800 3.121 ( -0.325 -3.625 0.291) 3.651 3.343 ( -1.073 1.784 0.496) 2.140 4.767 ( 1.438 -27.100 -2.035) 27.215 5.216 ( -2.959 -2.564 -2.247) 4.515 5.282 ( 2.933 -13.407 -1.019) 13.761 5.710 ( 0.509 -1.031 -1.885) 2.208 5.919 ( -0.244 -11.898 0.092) 11.901 6.480 ( -0.600 -5.561 0.062) 5.594 6.799 ( 2.258 -3.412 -0.712) 4.153 7.112 ( -2.161 -0.236 0.987) 2.387 7.442 ( -5.634 1.101 -1.359) 5.900 7.652 ( 4.650 2.005 -1.734) 5.353 8.044 ( -0.630 3.490 0.080) 3.547 8.329 ( 0.583 1.854 1.216) 2.293 ======================= Grid point 375 (181/242) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.858 -4.171 5.658) 7.081 0.907 ( -4.242 -1.656 -2.892) 5.394 1.108 ( 1.818 -2.862 -2.160) 4.020 1.225 ( -3.842 -3.851 1.734) 5.709 1.318 ( 2.635 -4.363 -1.176) 5.231 1.460 ( 0.145 -1.855 0.977) 2.102 1.526 ( -0.219 -8.838 -2.898) 9.303 1.628 ( 1.776 -3.782 2.972) 5.128 1.720 ( -0.596 -3.840 -0.846) 3.977 1.746 ( -2.679 -2.236 -0.632) 3.546 1.884 ( -3.167 2.167 -3.679) 5.316 1.948 ( 0.358 3.619 -0.266) 3.646 2.016 ( -3.813 -1.205 3.889) 5.578 2.074 ( -3.837 1.528 1.787) 4.500 2.113 ( -1.501 1.779 -1.375) 2.703 2.264 ( -0.331 -2.829 0.191) 2.855 2.352 ( 4.018 -0.771 -1.244) 4.277 2.518 ( 0.602 -0.642 0.653) 1.096 2.637 ( -0.535 -6.282 -0.577) 6.331 2.754 ( -0.557 -3.310 0.174) 3.361 2.847 ( 3.374 -1.656 -0.474) 3.788 2.901 ( -0.739 4.211 -0.295) 4.286 3.198 ( -0.770 -3.413 0.364) 3.517 3.291 ( -1.646 2.515 0.387) 3.031 5.262 ( -0.025 -4.447 -0.174) 4.451 5.389 ( 4.135 -31.562 -1.822) 31.884 5.622 ( 3.730 -15.124 0.379) 15.581 5.780 ( 1.376 -7.040 -2.172) 7.495 6.216 ( 0.203 -17.666 0.898) 17.690 6.617 ( -0.883 -8.203 -0.140) 8.252 6.901 ( 1.005 -5.979 -0.308) 6.071 7.118 ( -2.095 -1.342 1.137) 2.735 7.388 ( -7.489 -0.113 -1.198) 7.585 7.620 ( 1.267 2.460 -0.800) 2.881 7.969 ( 0.565 3.313 -0.355) 3.380 8.292 ( 1.410 2.579 0.804) 3.047 ======================= Grid point 376 (182/242) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 2.233 4.065 0.672) 4.686 1.006 ( 0.917 -7.064 2.364) 7.505 1.165 ( 2.367 -1.729 -1.331) 3.219 1.284 ( -6.703 -4.901 2.179) 8.585 1.405 ( -0.630 -4.137 -1.546) 4.461 1.508 ( 0.212 -2.603 0.818) 2.737 1.650 ( 0.756 -3.395 -0.762) 3.561 1.709 ( 2.334 -1.833 0.655) 3.039 1.754 ( -4.155 -1.470 -3.846) 5.849 1.792 ( 1.145 -1.950 1.619) 2.781 1.833 ( -2.675 1.604 -2.149) 3.788 1.879 ( 0.459 1.152 0.684) 1.416 1.974 ( 0.002 1.673 0.339) 1.707 2.071 ( -1.665 0.423 -1.607) 2.352 2.165 ( -4.649 -7.872 3.308) 9.722 2.282 ( -3.051 0.042 0.763) 3.145 2.394 ( 2.012 -1.175 -1.060) 2.560 2.541 ( 1.588 -1.235 0.095) 2.014 2.678 ( 0.007 2.847 -0.753) 2.945 2.787 ( -2.124 0.222 0.753) 2.264 2.821 ( 2.099 -1.574 -0.513) 2.673 2.963 ( 2.119 -4.536 -0.400) 5.023 3.217 ( -2.411 1.062 0.620) 2.707 3.259 ( -0.813 -0.463 0.007) 0.936 5.381 ( 0.944 -6.958 1.120) 7.110 5.769 ( 0.600 -3.704 -1.528) 4.051 5.997 ( 5.667 -23.520 0.130) 24.193 6.056 ( 3.940 -17.280 -1.569) 17.793 6.584 ( -0.201 -18.414 1.121) 18.449 6.777 ( -1.377 -8.576 -0.920) 8.735 7.026 ( -0.623 -5.736 1.653) 6.002 7.147 ( -2.674 -2.937 -0.372) 3.989 7.386 ( -5.529 -3.669 -0.433) 6.650 7.570 ( -2.834 1.914 -0.072) 3.420 7.934 ( 3.085 1.023 -0.684) 3.321 8.248 ( 1.641 2.878 0.519) 3.353 ======================= Grid point 377 (183/242) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 2.624 1.828 0.314) 3.213 1.127 ( 3.629 -2.950 0.347) 4.690 1.193 ( 0.565 -0.994 -1.511) 1.895 1.348 ( -5.924 -3.809 2.613) 7.512 1.471 ( -2.874 -2.986 -2.408) 4.794 1.532 ( 1.191 -0.052 0.462) 1.279 1.684 ( -2.609 -1.119 -0.654) 2.914 1.727 ( 0.873 0.999 -1.554) 2.043 1.740 ( -0.685 -0.730 1.345) 1.677 1.807 ( -2.114 -1.914 -2.324) 3.679 1.840 ( 0.657 -1.707 2.081) 2.771 1.905 ( 1.583 -1.387 -0.203) 2.114 1.964 ( -0.212 -0.170 0.028) 0.273 2.084 ( 2.453 -1.754 0.178) 3.021 2.212 ( -4.641 2.215 -0.522) 5.169 2.287 ( 0.289 -2.185 1.367) 2.594 2.422 ( -3.369 -0.980 -0.166) 3.513 2.548 ( -1.295 1.205 -0.267) 1.789 2.623 ( 2.613 0.653 0.427) 2.727 2.751 ( -1.689 1.986 0.443) 2.644 2.899 ( 2.885 -4.083 -0.685) 5.046 3.051 ( 1.042 -3.418 0.012) 3.573 3.184 ( -2.102 0.841 0.340) 2.289 3.256 ( -1.219 0.565 0.098) 1.347 5.532 ( 0.755 -7.199 1.342) 7.362 5.806 ( 1.409 -0.367 -1.863) 2.365 6.319 ( 3.369 -10.756 1.368) 11.354 6.461 ( 3.551 -16.712 -2.309) 17.241 6.903 ( -1.959 -12.912 0.553) 13.072 6.943 ( -1.418 -10.257 -1.276) 10.433 7.100 ( -2.612 -2.289 3.457) 4.901 7.213 ( -0.434 -4.445 -2.189) 4.974 7.457 ( -2.888 -4.610 0.632) 5.477 7.523 ( -3.637 0.493 -0.110) 3.671 7.954 ( 3.568 -1.246 -0.632) 3.832 8.197 ( 1.197 3.218 0.371) 3.453 ======================= Grid point 378 (184/242) ======================= q-point: (-0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 2.934 -1.901 0.793) 3.585 1.131 ( 0.310 2.856 -2.371) 3.725 1.231 ( 2.229 -1.718 -0.774) 2.919 1.352 ( -5.025 0.626 1.522) 5.287 1.468 ( -0.229 0.193 0.037) 0.302 1.569 ( -2.271 -2.393 -0.926) 3.427 1.673 ( -1.933 0.325 -0.903) 2.158 1.738 ( 0.353 -2.918 -0.881) 3.068 1.771 ( 2.141 -0.827 1.847) 2.946 1.838 ( -1.156 -1.961 -1.316) 2.629 1.863 ( 0.536 0.363 1.168) 1.336 1.922 ( 0.523 0.732 -0.361) 0.969 1.972 ( -0.101 -0.664 0.972) 1.181 2.097 ( -0.173 2.481 -2.022) 3.206 2.196 ( 2.136 -3.237 1.936) 4.335 2.303 ( -2.715 0.108 -1.004) 2.897 2.380 ( -0.161 2.491 -0.288) 2.513 2.504 ( -2.348 2.062 0.621) 3.186 2.627 ( -0.852 0.907 -0.970) 1.578 2.757 ( 0.920 -2.912 2.314) 3.832 2.987 ( 2.627 -3.090 -0.755) 4.125 3.106 ( 0.186 -1.795 0.010) 1.805 3.162 ( -1.705 0.524 0.231) 1.799 3.227 ( -1.086 1.557 0.202) 1.909 5.663 ( -0.147 -5.489 0.713) 5.537 5.796 ( 1.614 1.807 -1.443) 2.820 6.487 ( 1.541 -4.509 2.061) 5.192 6.691 ( 1.358 -6.337 -2.686) 7.015 7.084 ( -2.910 -7.705 -0.158) 8.238 7.102 ( -3.740 -3.637 0.350) 5.228 7.158 ( 1.663 -5.512 1.316) 5.906 7.273 ( 1.207 -1.311 -1.423) 2.281 7.470 ( -2.809 0.302 0.425) 2.857 7.561 ( -0.679 -3.491 0.245) 3.564 8.009 ( 2.326 -2.621 -0.435) 3.531 8.135 ( 0.320 3.427 0.263) 3.452 ======================= Grid point 386 (185/242) ======================= q-point: (-0.42 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -7.419 -0.000 -2.702) 7.896 0.705 ( -9.978 -0.000 0.108) 9.979 1.054 ( 1.990 0.000 -2.658) 3.321 1.108 ( 2.718 0.000 -5.281) 5.940 1.192 ( 1.017 0.000 -0.344) 1.074 1.282 ( 2.566 0.000 0.378) 2.594 1.528 ( -4.429 -0.000 -0.766) 4.494 1.530 ( 1.956 0.000 2.803) 3.418 1.644 ( -0.021 -0.000 1.229) 1.229 1.678 ( -9.580 -0.000 2.465) 9.892 1.829 ( -4.351 -0.000 -0.300) 4.362 2.034 ( -1.848 -0.000 1.436) 2.341 2.083 ( 1.566 0.000 1.337) 2.058 2.145 ( 2.726 0.000 -0.331) 2.746 2.153 ( -3.929 -0.000 -0.840) 4.018 2.269 ( -1.062 -0.000 1.232) 1.626 2.310 ( -0.484 -0.000 -0.853) 0.981 2.380 ( 2.046 0.000 -0.812) 2.201 2.518 ( 2.037 0.000 0.339) 2.065 2.684 ( 1.380 0.000 -0.314) 1.415 2.823 ( 2.736 0.000 0.605) 2.802 3.039 ( 0.071 0.000 0.028) 0.076 3.103 ( -1.503 -0.000 -0.021) 1.503 3.354 ( -1.958 -0.000 0.499) 2.020 4.446 ( -2.171 -0.000 -1.923) 2.900 5.119 ( 2.676 0.000 -0.511) 2.725 5.207 ( 0.387 0.000 -2.207) 2.241 5.729 ( 0.687 0.000 -2.303) 2.403 5.769 ( 0.259 0.000 0.546) 0.604 6.416 ( -1.468 -0.000 -0.003) 1.468 6.773 ( 1.824 0.000 -1.697) 2.491 7.106 ( -1.112 -0.000 1.819) 2.132 7.420 ( -6.773 -0.000 -1.306) 6.898 7.695 ( 4.313 0.000 -2.199) 4.841 8.080 ( -0.746 -0.000 -0.095) 0.752 8.356 ( 1.071 0.000 1.265) 1.658 ======================= Grid point 387 (186/242) ======================= q-point: (-0.33 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -4.966 -6.320 6.843) 10.556 0.755 ( -7.779 -10.847 -2.968) 13.674 1.088 ( 1.544 1.426 -4.334) 4.817 1.142 ( 2.938 -5.599 -0.250) 6.328 1.253 ( 1.757 -4.018 -1.229) 4.554 1.336 ( 1.819 -5.724 -0.309) 6.014 1.473 ( -3.241 1.887 -0.382) 3.770 1.569 ( -2.145 -2.472 1.541) 3.618 1.645 ( -3.146 -2.611 3.551) 5.415 1.673 ( -5.997 -2.374 -0.459) 6.466 1.835 ( -5.735 -2.198 -1.183) 6.255 2.016 ( -1.464 1.790 0.828) 2.456 2.027 ( 2.176 4.107 -0.993) 4.752 2.111 ( -4.318 2.493 0.261) 4.993 2.163 ( 0.695 -1.109 2.448) 2.776 2.219 ( -1.637 3.001 -1.147) 3.606 2.372 ( 2.905 -3.775 -0.431) 4.783 2.468 ( 1.533 -2.120 0.855) 2.752 2.518 ( 0.766 -4.233 -0.793) 4.374 2.695 ( 0.461 -1.422 -0.408) 1.550 2.837 ( 3.541 0.032 0.177) 3.546 3.005 ( -1.400 4.923 -0.081) 5.119 3.118 ( -0.477 -3.854 0.305) 3.896 3.325 ( -2.644 1.754 0.447) 3.204 4.783 ( 3.390 -29.847 -2.374) 30.132 5.203 ( 1.201 -2.293 0.707) 2.683 5.318 ( 4.642 -14.095 -1.160) 14.885 5.712 ( 1.359 -1.047 -1.528) 2.297 5.923 ( 0.694 -12.110 0.551) 12.143 6.468 ( -1.815 -5.778 0.062) 6.057 6.809 ( 0.832 -3.304 -2.244) 4.079 7.105 ( -0.701 0.126 2.582) 2.679 7.360 ( -7.900 1.528 -1.361) 8.160 7.677 ( 0.735 2.756 -1.483) 3.215 8.037 ( -0.084 3.218 -0.431) 3.248 8.346 ( 1.568 1.786 0.995) 2.577 ======================= Grid point 388 (187/242) ======================= q-point: (-0.25 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -3.396 -9.657 3.783) 10.914 0.860 ( -0.331 -0.582 0.357) 0.758 1.108 ( 0.653 -4.282 -1.871) 4.718 1.205 ( -1.724 -0.558 1.621) 2.431 1.332 ( 0.702 -3.021 -1.608) 3.494 1.458 ( -0.513 -1.957 0.044) 2.024 1.524 ( 1.277 -9.967 -0.690) 10.072 1.627 ( -3.678 -5.621 0.908) 6.778 1.687 ( -3.391 -2.214 -4.031) 5.714 1.744 ( -0.139 -5.678 4.497) 7.245 1.818 ( -4.892 0.287 -3.326) 5.923 1.945 ( -1.153 4.678 -0.078) 4.818 1.984 ( -3.668 0.219 0.230) 3.682 2.037 ( -3.686 1.083 0.348) 3.857 2.114 ( 1.226 2.769 2.109) 3.690 2.257 ( -1.567 -2.114 0.446) 2.670 2.394 ( 4.334 -0.311 -0.425) 4.366 2.528 ( 0.169 -1.532 0.552) 1.638 2.628 ( -0.320 -5.327 -0.892) 5.410 2.752 ( 0.246 -2.937 -0.017) 2.947 2.883 ( 3.616 -1.437 -0.375) 3.909 2.892 ( -0.875 3.258 -0.099) 3.375 3.189 ( -1.149 -2.881 0.451) 3.134 3.268 ( -2.790 2.136 0.118) 3.516 5.273 ( 1.349 -5.014 1.421) 5.383 5.438 ( 7.197 -29.935 -3.115) 30.945 5.668 ( 5.025 -15.074 -0.842) 15.912 5.791 ( 2.137 -8.230 -1.609) 8.654 6.228 ( 1.201 -17.406 1.288) 17.495 6.602 ( -1.760 -8.187 -0.128) 8.375 6.900 ( -0.417 -6.129 -1.864) 6.419 7.103 ( -2.957 -0.187 2.657) 3.979 7.303 ( -6.734 -1.005 -0.656) 6.840 7.602 ( -4.225 3.232 -0.346) 5.331 7.983 ( 2.611 2.395 -0.768) 3.626 8.313 ( 1.875 2.598 0.649) 3.270 ======================= Grid point 389 (188/242) ======================= q-point: (-0.17 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.052 3.196 -1.470) 4.073 1.024 ( 0.016 -8.681 1.667) 8.840 1.180 ( 0.659 -0.302 -1.326) 1.511 1.231 ( -4.479 -5.388 3.583) 7.869 1.376 ( -2.778 -3.236 -2.254) 4.824 1.519 ( 1.277 -2.951 0.242) 3.224 1.649 ( -1.811 -1.423 -0.828) 2.447 1.688 ( -2.017 -3.278 -3.482) 5.190 1.741 ( 1.987 -1.853 1.508) 3.107 1.774 ( -4.108 -0.879 -3.790) 5.658 1.819 ( -0.242 1.033 1.837) 2.121 1.893 ( 1.571 -1.305 1.783) 2.711 1.976 ( 0.122 0.828 -0.211) 0.863 2.009 ( -6.366 -3.854 -3.106) 8.064 2.165 ( -0.178 -4.275 5.097) 6.655 2.258 ( -2.637 -0.553 1.785) 3.232 2.409 ( 1.435 1.176 -0.704) 1.984 2.549 ( -0.075 -0.500 -0.359) 0.620 2.674 ( -0.350 0.735 -0.963) 1.260 2.773 ( -0.729 1.078 1.090) 1.698 2.844 ( 2.613 -1.682 -0.522) 3.151 2.983 ( 1.910 -4.302 -0.512) 4.735 3.192 ( -2.695 1.092 0.341) 2.928 3.245 ( -1.667 -0.689 -0.108) 1.807 5.402 ( 1.590 -6.718 1.971) 7.180 5.768 ( 1.127 -4.080 -2.908) 5.136 6.063 ( 6.814 -22.708 -1.005) 23.730 6.092 ( 4.526 -16.556 -2.187) 17.302 6.587 ( -0.173 -17.507 1.204) 17.549 6.754 ( -2.094 -8.299 -0.989) 8.616 7.022 ( -1.543 -5.764 1.408) 6.131 7.106 ( -5.014 -3.195 -0.538) 5.969 7.342 ( -2.442 -4.909 0.850) 5.549 7.522 ( -5.993 1.841 -0.023) 6.269 7.969 ( 3.903 0.728 -0.771) 4.045 8.268 ( 1.684 3.088 0.413) 3.542 ======================= Grid point 390 (189/242) ======================= q-point: (-0.08 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 3.863 1.353 -0.637) 4.142 1.148 ( -0.317 -1.573 -1.868) 2.462 1.189 ( 0.653 -3.111 -0.911) 3.307 1.305 ( -4.593 -2.599 2.801) 5.974 1.430 ( -2.790 -3.892 -2.321) 5.322 1.542 ( -0.544 1.578 0.553) 1.758 1.635 ( -3.604 -1.936 -1.289) 4.289 1.719 ( -0.963 -0.171 -1.344) 1.662 1.763 ( 2.466 -2.402 -0.550) 3.487 1.785 ( -0.030 -1.218 -0.184) 1.232 1.848 ( -0.346 -2.014 0.367) 2.077 1.918 ( 0.537 -0.725 -0.686) 1.133 1.963 ( 0.465 -0.142 0.200) 0.526 2.089 ( -1.609 -3.537 -0.733) 3.954 2.183 ( -0.798 0.546 2.305) 2.500 2.299 ( 0.265 -0.405 1.579) 1.652 2.385 ( -3.474 -0.446 0.287) 3.514 2.529 ( -2.026 1.662 -0.316) 2.640 2.644 ( 0.726 1.237 -0.192) 1.447 2.749 ( 1.266 0.857 1.055) 1.857 2.924 ( 2.226 -4.135 -0.526) 4.725 3.061 ( 0.959 -2.947 -0.097) 3.100 3.162 ( -2.045 0.561 -0.063) 2.122 3.239 ( -1.900 0.420 -0.029) 1.946 5.546 ( 0.704 -6.566 1.525) 6.777 5.810 ( 1.420 -0.760 -2.699) 3.143 6.364 ( 4.341 -9.948 0.310) 10.858 6.483 ( 2.822 -15.366 -3.288) 15.966 6.879 ( -3.103 -11.646 0.710) 12.074 6.917 ( -2.109 -10.303 -1.397) 10.609 7.091 ( -1.999 -3.419 3.424) 5.235 7.197 ( -0.781 -6.026 -2.295) 6.495 7.435 ( -2.315 -3.386 1.207) 4.275 7.482 ( -3.486 -2.007 -0.069) 4.023 7.989 ( 3.272 -0.827 -0.566) 3.422 8.210 ( 1.070 3.604 0.273) 3.770 ======================= Grid point 399 (190/242) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -7.845 -0.000 2.028) 8.103 0.620 ( -8.301 -0.000 7.192) 10.983 1.073 ( 3.175 0.000 -1.418) 3.478 1.125 ( 3.982 0.000 -4.254) 5.827 1.209 ( 2.314 0.000 0.083) 2.315 1.296 ( -0.229 -0.000 -0.622) 0.663 1.464 ( -9.777 -0.000 3.998) 10.563 1.544 ( -0.312 -0.000 -0.815) 0.872 1.574 ( -10.044 -0.000 2.236) 10.290 1.643 ( -0.689 -0.000 0.280) 0.744 1.789 ( -2.659 -0.000 -0.568) 2.719 2.019 ( -1.425 -0.000 -0.492) 1.507 2.101 ( 0.555 0.000 0.616) 0.829 2.112 ( -3.863 -0.000 1.156) 4.032 2.139 ( -2.454 -0.000 -0.691) 2.549 2.274 ( 0.227 0.000 0.504) 0.553 2.303 ( 0.085 0.000 -1.792) 1.794 2.402 ( 2.691 0.000 -0.577) 2.752 2.549 ( 3.416 0.000 1.348) 3.672 2.695 ( 0.908 0.000 -0.369) 0.980 2.869 ( 5.026 0.000 1.081) 5.141 3.040 ( 0.075 0.000 -0.023) 0.079 3.082 ( -2.527 -0.000 0.144) 2.531 3.329 ( -3.060 -0.000 0.443) 3.092 4.414 ( -2.531 -0.000 -0.773) 2.646 5.154 ( 4.172 0.000 -0.416) 4.193 5.238 ( 5.518 0.000 2.556) 6.081 5.734 ( 1.762 0.000 -1.353) 2.221 5.776 ( 0.657 0.000 0.428) 0.785 6.393 ( -2.771 -0.000 -0.072) 2.772 6.775 ( 0.601 0.000 -3.172) 3.228 7.115 ( 0.424 0.000 3.264) 3.292 7.339 ( -6.656 -0.000 -1.628) 6.852 7.707 ( -0.745 -0.000 -2.041) 2.173 8.073 ( 0.193 0.000 -0.979) 0.998 8.375 ( 1.491 0.000 0.983) 1.786 ======================= Grid point 400 (191/242) ======================= q-point: (-0.25 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -8.218 -6.981 3.477) 11.330 0.705 ( -2.231 -13.090 8.420) 15.723 1.091 ( 2.433 2.266 -3.655) 4.942 1.171 ( 1.710 -5.158 0.222) 5.439 1.267 ( 1.800 -3.390 -1.196) 4.020 1.340 ( -1.467 -5.662 -0.603) 5.880 1.435 ( -5.481 -1.424 3.717) 6.774 1.506 ( -7.714 -1.233 1.540) 7.963 1.605 ( -4.039 -3.846 -2.564) 6.139 1.647 ( -0.806 -1.969 1.361) 2.525 1.787 ( -2.512 -0.786 -1.045) 2.832 1.997 ( -1.730 1.451 -1.191) 2.552 2.040 ( -0.573 5.095 -0.733) 5.179 2.062 ( -3.393 2.347 1.511) 4.393 2.171 ( -0.991 -4.372 0.795) 4.553 2.207 ( -0.336 4.821 -0.042) 4.833 2.382 ( -0.317 -6.679 -0.981) 6.758 2.492 ( 1.826 3.888 1.219) 4.465 2.537 ( 3.384 -6.824 -0.555) 7.638 2.695 ( -0.275 -0.892 -0.567) 1.092 2.878 ( 3.692 1.222 0.504) 3.921 2.990 ( -1.096 4.403 0.314) 4.548 3.115 ( -0.390 -3.991 0.358) 4.026 3.294 ( -3.361 1.792 0.271) 3.819 4.817 ( 5.499 -32.774 -4.015) 33.474 5.246 ( 4.762 -2.542 3.548) 6.460 5.371 ( 6.252 -13.015 0.108) 14.440 5.725 ( 2.193 -0.905 -1.023) 2.584 5.940 ( 1.900 -12.683 1.268) 12.887 6.444 ( -2.697 -6.206 0.075) 6.767 6.798 ( -0.182 -3.035 -3.559) 4.681 7.113 ( -1.119 1.235 3.647) 4.009 7.277 ( -5.990 1.717 -1.214) 6.348 7.646 ( -5.676 3.733 -1.099) 6.882 8.043 ( 1.795 2.422 -1.089) 3.205 8.367 ( 1.558 1.684 0.779) 2.423 ======================= Grid point 401 (192/242) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -5.342 -8.777 0.201) 10.277 0.882 ( -0.346 -3.856 4.173) 5.692 1.118 ( 1.504 -4.450 0.800) 4.765 1.193 ( -1.535 1.492 0.065) 2.141 1.318 ( -1.487 -1.528 -1.644) 2.692 1.453 ( 0.051 -4.127 -1.678) 4.456 1.543 ( 1.133 -9.866 1.702) 10.076 1.576 ( -6.040 -8.499 3.092) 10.876 1.624 ( -3.705 -1.721 -5.917) 7.190 1.747 ( -2.964 -6.331 1.840) 7.229 1.784 ( 0.345 -0.863 0.054) 0.931 1.914 ( -4.339 4.859 -0.022) 6.514 1.955 ( -1.585 1.835 -1.033) 2.636 2.009 ( -1.183 2.321 -1.206) 2.871 2.147 ( 2.027 0.921 3.695) 4.313 2.233 ( -3.331 -1.462 0.524) 3.676 2.436 ( 3.803 -0.071 -0.152) 3.807 2.516 ( -2.288 -3.241 -0.278) 3.977 2.625 ( 0.077 -2.419 -0.653) 2.507 2.763 ( 2.137 -3.378 0.014) 3.997 2.882 ( -0.814 0.822 0.018) 1.157 2.918 ( 3.052 0.385 -0.180) 3.081 3.179 ( -1.144 -2.070 0.569) 2.432 3.236 ( -3.065 1.664 -0.207) 3.493 5.298 ( 1.536 -6.437 2.471) 7.063 5.510 ( 9.577 -25.169 -5.382) 27.462 5.717 ( 5.319 -14.617 -1.639) 15.641 5.811 ( 2.580 -10.041 -0.511) 10.379 6.255 ( 2.709 -16.606 1.935) 16.937 6.581 ( -2.129 -8.196 -0.015) 8.468 6.879 ( -1.173 -6.350 -2.902) 7.080 7.059 ( -7.807 1.465 2.352) 8.284 7.262 ( -0.946 -2.341 1.303) 2.841 7.533 ( -8.011 3.128 -0.178) 8.602 8.013 ( 3.427 1.745 -1.006) 3.975 8.334 ( 1.547 2.592 0.529) 3.065 ======================= Grid point 402 (193/242) ======================= q-point: (-0.08 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 2.379 1.150 -2.153) 3.408 1.016 ( -1.768 -9.219 -0.154) 9.388 1.141 ( -6.979 -0.528 1.821) 7.232 1.238 ( 1.703 -3.995 1.408) 4.566 1.337 ( -2.305 -2.385 -2.582) 4.203 1.536 ( 1.621 -4.673 -0.680) 4.992 1.589 ( -4.863 1.742 -3.280) 6.119 1.695 ( 1.523 -4.646 0.767) 4.950 1.708 ( -3.802 -1.364 -3.831) 5.567 1.770 ( 1.907 -3.227 1.768) 4.144 1.815 ( -1.068 1.185 0.636) 1.717 1.914 ( -1.857 0.819 -2.072) 2.901 1.942 ( -1.215 -7.899 1.730) 8.177 1.973 ( -0.974 -0.470 0.141) 1.090 2.184 ( -0.545 -0.695 3.098) 3.221 2.249 ( -0.815 -3.578 3.667) 5.188 2.413 ( -0.473 3.702 -0.554) 3.773 2.542 ( -0.219 -0.159 -0.720) 0.769 2.656 ( -2.153 -0.724 -1.215) 2.576 2.787 ( 2.057 1.555 1.523) 2.995 2.868 ( 2.381 -1.668 -0.648) 2.978 2.997 ( 1.196 -4.244 -0.530) 4.441 3.166 ( -2.267 1.070 -0.087) 2.508 3.225 ( -2.022 -0.710 -0.093) 2.145 5.428 ( 1.372 -6.187 2.638) 6.864 5.767 ( 1.730 -3.763 -4.067) 5.804 6.113 ( 4.856 -21.678 -5.058) 22.783 6.141 ( 5.712 -16.136 0.170) 17.118 6.593 ( 0.106 -15.670 1.465) 15.739 6.727 ( -2.012 -8.019 -0.866) 8.313 7.006 ( -3.171 -5.426 2.198) 6.658 7.043 ( -5.076 -5.572 -1.859) 7.763 7.341 ( 0.619 -4.810 2.095) 5.283 7.451 ( -7.018 1.030 -0.176) 7.095 8.005 ( 3.397 0.710 -0.788) 3.559 8.285 ( 1.213 3.244 0.341) 3.480 ======================= Grid point 412 (194/242) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -5.732 -0.000 7.852) 9.722 0.604 ( -4.163 -0.000 15.255) 15.813 1.107 ( 3.717 0.000 0.150) 3.720 1.134 ( -0.922 -0.000 -3.941) 4.047 1.239 ( 2.980 0.000 0.256) 2.991 1.251 ( -9.642 -0.000 5.223) 10.966 1.387 ( -4.439 -0.000 1.928) 4.839 1.517 ( -2.280 -0.000 -4.597) 5.131 1.518 ( -2.916 -0.000 2.096) 3.591 1.631 ( -1.583 -0.000 -0.587) 1.688 1.765 ( -1.916 -0.000 0.055) 1.917 1.998 ( -1.571 -0.000 -1.806) 2.393 2.085 ( -2.858 -0.000 3.027) 4.163 2.092 ( -2.446 -0.000 -1.151) 2.704 2.106 ( -3.236 -0.000 1.099) 3.417 2.271 ( -0.359 -0.000 -1.526) 1.567 2.296 ( 0.982 0.000 -3.457) 3.593 2.430 ( 2.728 0.000 -0.202) 2.735 2.601 ( 4.653 0.000 1.755) 4.973 2.698 ( -0.274 -0.000 -0.216) 0.349 2.933 ( 5.810 0.000 1.378) 5.971 3.041 ( 0.077 0.000 -0.070) 0.104 3.054 ( -2.814 -0.000 0.430) 2.847 3.296 ( -3.326 -0.000 0.232) 3.335 4.387 ( -2.203 -0.000 0.127) 2.206 5.201 ( 4.718 0.000 0.008) 4.718 5.352 ( 11.655 0.000 8.672) 14.527 5.753 ( 2.516 0.000 -0.330) 2.537 5.787 ( 1.067 0.000 0.289) 1.105 6.358 ( -3.619 -0.000 -0.207) 3.625 6.762 ( 0.378 0.000 -4.118) 4.135 7.138 ( 0.619 0.000 3.615) 3.667 7.273 ( -4.090 -0.000 -1.818) 4.476 7.654 ( -7.504 -0.000 -2.460) 7.897 8.077 ( 1.666 0.000 -1.663) 2.354 8.394 ( 1.201 0.000 0.741) 1.411 ======================= Grid point 413 (195/242) ======================= q-point: (-0.17 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -6.242 -7.497 6.071) 11.490 0.738 ( -1.739 -10.631 12.055) 16.166 1.100 ( 0.750 -0.321 -1.876) 2.045 1.164 ( -3.954 -2.459 2.971) 5.523 1.278 ( 0.986 -1.124 -0.686) 1.645 1.303 ( -4.019 -8.283 2.843) 9.635 1.404 ( -1.669 -4.255 0.344) 4.584 1.467 ( -1.804 0.442 0.562) 1.940 1.552 ( -2.374 -2.554 -4.645) 5.808 1.639 ( -1.748 -2.691 0.838) 3.317 1.767 ( -1.243 -0.942 0.381) 1.606 1.969 ( -2.319 1.990 -2.185) 3.756 2.004 ( -3.619 3.911 0.696) 5.374 2.060 ( -0.155 2.900 0.102) 2.906 2.157 ( -1.693 -4.232 0.318) 4.569 2.203 ( -0.754 3.336 0.148) 3.423 2.365 ( -1.121 -6.594 -2.326) 7.081 2.517 ( 1.639 5.799 1.414) 6.190 2.574 ( 3.494 -7.858 -0.444) 8.611 2.685 ( -1.009 -0.539 -0.525) 1.259 2.912 ( 2.108 3.306 0.854) 4.013 2.990 ( 0.670 3.001 0.634) 3.140 3.115 ( 0.098 -4.004 0.516) 4.039 3.258 ( -3.346 1.860 -0.039) 3.828 4.856 ( 6.049 -34.441 -6.686) 35.601 5.320 ( 5.699 -5.343 2.343) 8.156 5.462 ( 9.407 -7.735 4.582) 13.012 5.748 ( 2.731 -0.535 -0.657) 2.860 5.979 ( 4.207 -13.832 2.640) 14.697 6.413 ( -3.151 -6.830 0.085) 7.523 6.780 ( 0.239 -2.588 -4.163) 4.908 7.090 ( -6.274 4.772 1.776) 8.080 7.242 ( -0.182 0.014 1.110) 1.125 7.554 ( -10.366 3.609 -0.960) 11.018 8.062 ( 2.530 1.691 -1.356) 3.331 8.385 ( 1.077 1.580 0.624) 2.012 ======================= Grid point 414 (196/242) ======================= q-point: (-0.08 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -4.350 -9.420 2.190) 10.605 0.876 ( -3.971 -4.569 3.226) 6.859 1.118 ( -3.786 1.327 1.899) 4.439 1.194 ( 3.110 -1.833 -1.260) 3.824 1.298 ( -0.911 -1.111 -1.073) 1.793 1.433 ( -1.930 -6.000 -3.640) 7.279 1.526 ( -3.487 -9.306 3.932) 10.688 1.561 ( -0.895 -4.598 -4.296) 6.356 1.594 ( 1.855 -6.270 2.868) 7.140 1.718 ( -2.808 -5.493 0.009) 6.169 1.794 ( 0.304 -2.415 1.710) 2.974 1.867 ( -4.296 4.583 0.077) 6.283 1.940 ( -0.148 2.032 -1.038) 2.286 1.996 ( -0.368 2.728 -1.617) 3.192 2.183 ( 1.489 -0.027 2.328) 2.763 2.196 ( -3.589 -1.813 1.198) 4.195 2.455 ( -1.045 -1.401 -1.118) 2.075 2.502 ( 1.517 -2.700 -0.027) 3.097 2.616 ( -1.428 0.080 -0.359) 1.475 2.797 ( 3.904 -4.860 -0.222) 6.238 2.875 ( -0.909 0.395 0.670) 1.196 2.944 ( 1.895 1.268 -0.273) 2.297 3.171 ( -0.806 -0.798 0.543) 1.258 3.204 ( -2.632 0.874 -0.401) 2.802 5.324 ( 1.148 -7.827 2.872) 8.416 5.579 ( 8.598 -19.752 -8.483) 23.153 5.763 ( 4.620 -12.223 -1.533) 13.156 5.840 ( 2.965 -12.971 0.535) 13.317 6.305 ( 4.848 -14.952 2.747) 15.957 6.558 ( -2.294 -8.385 0.210) 8.696 6.855 ( -0.333 -6.156 -3.415) 7.048 6.971 ( -10.128 1.284 2.180) 10.440 7.281 ( 1.920 -2.557 2.710) 4.192 7.441 ( -8.714 2.217 -0.286) 8.996 8.042 ( 2.897 1.435 -1.068) 3.405 8.350 ( 0.931 2.580 0.458) 2.781 ======================= Grid point 425 (197/242) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -1.449 -0.000 12.699) 12.781 0.650 ( -3.129 -0.000 17.967) 18.237 1.045 ( -13.612 -0.000 9.019) 16.328 1.152 ( 3.904 0.000 1.572) 4.209 1.212 ( -0.670 -0.000 0.076) 0.674 1.271 ( 2.673 0.000 0.264) 2.686 1.377 ( 1.483 0.000 -3.083) 3.421 1.459 ( -3.360 -0.000 -7.324) 8.058 1.518 ( -0.132 -0.000 4.439) 4.441 1.604 ( -2.566 -0.000 -1.561) 3.004 1.748 ( -1.594 -0.000 1.330) 2.075 1.972 ( -1.308 -0.000 -2.419) 2.750 2.053 ( -3.322 -0.000 -0.655) 3.386 2.073 ( -4.202 -0.000 0.920) 4.301 2.078 ( -1.466 -0.000 4.021) 4.280 2.250 ( -1.378 -0.000 -4.018) 4.247 2.299 ( 3.261 0.000 -4.942) 5.921 2.456 ( 2.276 0.000 0.100) 2.279 2.648 ( 2.544 0.000 -0.245) 2.556 2.692 ( -0.109 -0.000 0.200) 0.227 2.998 ( 5.083 0.000 1.267) 5.238 3.031 ( -1.863 -0.000 0.933) 2.083 3.041 ( 0.067 0.000 -0.099) 0.119 3.263 ( -2.996 -0.000 0.030) 2.996 4.370 ( -1.409 -0.000 0.605) 1.534 5.251 ( 4.338 0.000 0.596) 4.378 5.566 ( 19.484 0.000 12.890) 23.362 5.782 ( 2.770 0.000 0.672) 2.850 5.800 ( 1.261 0.000 0.176) 1.273 6.318 ( -3.692 -0.000 -0.402) 3.714 6.753 ( 1.735 0.000 -4.360) 4.693 7.138 ( -3.650 -0.000 -1.040) 3.795 7.248 ( 0.174 0.000 1.183) 1.196 7.533 ( -12.539 -0.000 -2.225) 12.735 8.089 ( 1.893 0.000 -1.759) 2.584 8.407 ( 0.674 0.000 0.600) 0.903 ======================= Grid point 426 (198/242) ======================= q-point: (-0.08 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -2.960 -5.152 10.141) 11.753 0.745 ( -6.882 -6.591 9.999) 13.812 1.087 ( -4.994 -8.488 10.584) 14.457 1.159 ( 2.936 2.830 -1.588) 4.376 1.281 ( 0.126 -0.335 0.192) 0.406 1.300 ( 1.303 -6.522 -0.239) 6.655 1.387 ( -1.182 -3.477 -2.994) 4.738 1.446 ( -1.447 -2.427 -1.962) 3.440 1.528 ( -0.167 -1.414 -0.784) 1.625 1.623 ( -1.628 -3.155 1.234) 3.759 1.763 ( -0.381 -1.539 1.849) 2.436 1.931 ( -3.026 3.229 -1.446) 4.655 1.983 ( -0.634 2.649 -0.460) 2.762 2.044 ( -2.836 1.654 -0.169) 3.287 2.146 ( -0.319 -1.540 -0.491) 1.648 2.193 ( -1.018 0.130 0.021) 1.027 2.342 ( -0.444 -4.510 -3.875) 5.963 2.535 ( 0.679 4.994 1.011) 5.140 2.602 ( 2.350 -8.383 -0.530) 8.722 2.672 ( -0.977 0.066 -0.182) 0.996 2.934 ( 1.201 4.231 1.476) 4.640 3.004 ( 1.068 2.425 0.338) 2.671 3.122 ( 0.860 -3.806 0.710) 3.966 3.224 ( -2.901 1.942 -0.312) 3.505 4.878 ( 4.301 -34.867 -8.381) 36.117 5.375 ( 3.811 -7.767 0.260) 8.655 5.596 ( 10.120 -0.810 5.205) 11.408 5.774 ( 2.525 0.156 -0.531) 2.585 6.063 ( 9.068 -14.557 4.650) 17.770 6.380 ( -3.057 -7.405 0.041) 8.011 6.774 ( 2.606 -2.084 -4.037) 5.237 6.997 ( -12.153 6.732 0.215) 13.894 7.266 ( 2.173 -0.839 2.903) 3.722 7.438 ( -9.777 2.156 -0.391) 10.019 8.081 ( 2.061 1.218 -1.373) 2.759 8.396 ( 0.499 1.503 0.548) 1.676 ======================= Grid point 438 (199/242) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 2.756 0.000 14.494) 14.753 0.654 ( -9.386 -0.000 13.450) 16.401 1.016 ( -4.078 -0.000 21.180) 21.569 1.200 ( 3.408 0.000 2.090) 3.998 1.215 ( 3.214 0.000 -4.166) 5.262 1.293 ( 1.133 0.000 0.252) 1.160 1.369 ( 0.136 0.000 -5.248) 5.250 1.388 ( -2.851 -0.000 -8.451) 8.919 1.547 ( 0.912 0.000 6.037) 6.106 1.564 ( -3.214 -0.000 -2.369) 3.993 1.750 ( 0.276 0.000 3.311) 3.322 1.947 ( -1.497 -0.000 -2.385) 2.816 2.022 ( -4.487 -0.000 1.158) 4.633 2.034 ( -1.097 -0.000 -0.540) 1.223 2.089 ( -0.066 -0.000 3.974) 3.974 2.209 ( -1.797 -0.000 -6.380) 6.628 2.313 ( 4.019 0.000 -7.120) 8.176 2.477 ( 1.445 0.000 0.219) 1.461 2.638 ( -2.846 -0.000 -1.035) 3.029 2.705 ( 1.724 0.000 -0.993) 1.989 3.020 ( -1.037 -0.000 1.746) 2.031 3.041 ( 0.030 0.000 -0.105) 0.109 3.051 ( 3.652 0.000 0.639) 3.707 3.236 ( -1.880 -0.000 0.086) 1.882 4.363 ( -0.269 -0.000 0.678) 0.730 5.294 ( 3.016 0.000 0.990) 3.174 5.795 ( 5.236 0.000 0.692) 5.281 5.813 ( 0.824 0.000 0.150) 0.838 5.875 ( 20.672 0.000 9.899) 22.920 6.281 ( -2.568 -0.000 -0.573) 2.631 6.767 ( 4.568 0.000 -3.779) 5.929 7.017 ( -17.293 -0.000 -4.151) 17.784 7.281 ( 3.347 0.000 2.977) 4.479 7.413 ( -7.372 -0.000 0.213) 7.375 8.099 ( 1.376 0.000 -1.570) 2.088 8.414 ( 0.156 0.000 0.567) 0.588 ======================= Grid point 439 (200/242) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 0.000 0.000) 0.000 0.830 ( -0.000 -0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 -0.000) 0.000 1.263 ( -0.000 -0.000 0.000) 0.000 1.305 ( -0.000 -0.000 0.000) 0.000 1.321 ( 0.000 0.000 -0.000) 0.000 1.376 ( -0.000 -0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.002 0.000 0.002) 0.003 1.882 ( -0.002 -0.000 -0.002) 0.003 1.952 ( 0.000 0.000 -0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.070 ( -0.000 -0.000 -0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 -0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.086 ( -0.000 -0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.755 ( -0.000 -0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.422 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 441 (201/242) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 3.768 0.719 -0.925) 3.946 0.874 ( -2.242 -2.826 -4.969) 6.140 1.067 ( 0.497 4.969 6.997) 8.596 1.185 ( 2.250 -0.404 -3.701) 4.350 1.247 ( -0.261 0.716 2.430) 2.547 1.293 ( 0.541 -0.488 -1.110) 1.327 1.348 ( -1.829 -8.639 -1.520) 8.960 1.454 ( 2.194 2.010 1.859) 3.508 1.585 ( -0.881 -12.972 -3.651) 13.505 1.703 ( -0.292 -3.830 -0.782) 3.920 1.835 ( -1.862 1.479 -2.479) 3.435 1.863 ( 1.617 2.928 1.480) 3.658 1.933 ( -0.560 1.933 2.630) 3.311 1.996 ( 1.463 3.145 0.274) 3.479 2.099 ( 1.773 -0.762 0.618) 2.026 2.172 ( 1.003 -1.084 -0.075) 1.479 2.275 ( 1.265 -8.407 -0.139) 8.503 2.545 ( -0.235 2.466 0.135) 2.480 2.609 ( -0.887 -10.125 0.121) 10.165 2.669 ( 0.114 3.022 -0.065) 3.025 2.975 ( -0.968 3.525 -0.180) 3.660 3.008 ( -0.114 2.763 0.051) 2.766 3.146 ( -0.582 -3.296 -0.240) 3.356 3.192 ( 1.322 2.614 0.191) 2.936 4.789 ( -0.528 -32.977 0.579) 32.987 5.411 ( -1.291 -6.210 -0.194) 6.346 5.720 ( -1.250 1.787 -0.849) 2.340 5.787 ( -0.872 1.746 -0.033) 1.952 6.258 ( -6.370 -10.354 -1.735) 12.280 6.353 ( 3.038 -8.152 -0.369) 8.708 6.743 ( -8.722 -1.729 3.019) 9.390 6.869 ( 11.849 1.449 -1.066) 11.985 7.339 ( -0.845 -0.639 -0.788) 1.320 7.363 ( 3.075 2.555 0.292) 4.009 8.077 ( -0.465 0.847 -0.053) 0.967 8.406 ( -0.258 1.512 0.027) 1.534 ======================= Grid point 442 (202/242) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 3.961 -4.069 -2.934) 6.392 0.854 ( -4.023 1.372 0.187) 4.254 1.045 ( 3.934 1.324 6.142) 7.413 1.226 ( 2.376 -3.671 -5.118) 6.732 1.256 ( -1.330 -0.903 2.779) 3.210 1.328 ( 3.328 -1.508 1.083) 3.811 1.435 ( 0.764 -3.016 0.388) 3.135 1.591 ( 1.457 -10.913 0.942) 11.050 1.732 ( -4.438 -1.955 -3.182) 5.801 1.769 ( -1.752 -0.935 -3.679) 4.181 1.818 ( 2.072 0.694 0.528) 2.248 1.860 ( 0.850 -3.715 -1.993) 4.301 1.896 ( -0.252 -0.505 2.924) 2.978 1.965 ( 1.391 -0.157 -0.256) 1.423 2.112 ( 3.477 -0.207 2.295) 4.172 2.263 ( 1.794 -5.856 -1.991) 6.440 2.407 ( 2.234 -3.086 0.082) 3.811 2.529 ( -2.501 -0.569 0.221) 2.574 2.603 ( 1.407 2.492 -0.455) 2.898 2.804 ( -2.496 -7.961 1.086) 8.414 2.913 ( -0.543 2.202 -1.342) 2.635 2.942 ( -0.741 2.115 0.590) 2.317 3.152 ( 1.884 2.209 0.511) 2.948 3.189 ( 0.174 -1.195 -0.169) 1.219 5.404 ( -1.116 -25.144 -0.920) 25.185 5.462 ( -2.155 -2.574 2.156) 3.990 5.782 ( -2.230 -4.745 0.035) 5.244 5.887 ( -1.690 -15.685 -0.589) 15.787 6.421 ( -6.071 -10.468 -1.084) 12.149 6.543 ( 2.922 -8.403 -0.678) 8.922 6.782 ( -3.713 -5.760 3.456) 7.674 6.921 ( 9.036 -1.856 -2.150) 9.472 7.346 ( 5.177 1.358 0.936) 5.433 7.358 ( -1.126 -2.139 -1.266) 2.729 8.052 ( -1.148 1.138 -0.124) 1.621 8.362 ( -0.583 2.653 0.071) 2.717 ======================= Grid point 443 (203/242) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -4.898 1.043 2.553) 5.621 0.958 ( 2.059 -7.504 1.381) 7.903 1.072 ( 3.763 -1.284 2.441) 4.665 1.266 ( 0.465 -0.415 1.407) 1.538 1.319 ( 3.606 -4.532 -5.509) 7.993 1.400 ( 4.295 -2.750 4.689) 6.927 1.522 ( 3.123 -4.189 1.105) 5.340 1.664 ( -2.602 3.596 -0.358) 4.453 1.764 ( -1.955 -2.516 -0.536) 3.231 1.788 ( 1.548 -4.391 0.355) 4.669 1.816 ( -0.254 0.920 -0.267) 0.991 1.862 ( -0.948 -1.408 -0.681) 1.829 1.953 ( 1.026 -2.111 -0.321) 2.369 2.049 ( -0.271 -4.994 -3.626) 6.177 2.166 ( 4.126 -2.748 1.451) 5.165 2.364 ( -1.308 -1.939 -1.551) 2.807 2.394 ( 2.531 2.416 -1.729) 3.903 2.526 ( -0.973 0.803 0.943) 1.575 2.604 ( 2.853 -0.773 0.325) 2.973 2.848 ( -3.078 2.095 -0.754) 3.799 2.868 ( -1.701 -2.428 0.912) 3.102 2.997 ( -0.270 -4.499 0.005) 4.507 3.129 ( 1.816 1.132 0.752) 2.268 3.205 ( 1.342 -0.192 0.035) 1.356 5.498 ( -1.644 -3.793 -0.599) 4.177 5.689 ( -0.446 -5.246 1.582) 5.497 6.049 ( -2.106 -20.110 1.685) 20.290 6.192 ( -3.970 -15.134 0.180) 15.647 6.621 ( -1.436 -12.110 0.127) 12.196 6.704 ( 1.408 -7.605 -0.587) 7.757 6.939 ( 0.795 -8.930 3.046) 9.468 7.030 ( 5.196 -5.673 -2.715) 8.158 7.365 ( 5.267 -0.089 0.842) 5.335 7.408 ( -0.934 -3.722 -1.309) 4.054 8.025 ( -1.821 0.659 -0.137) 1.941 8.298 ( -0.836 3.403 0.110) 3.506 ======================= Grid point 444 (204/242) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -5.466 -1.667 2.269) 6.149 1.057 ( 1.673 -0.754 2.847) 3.387 1.164 ( -0.712 -5.402 1.423) 5.632 1.292 ( 3.300 -1.002 0.661) 3.511 1.402 ( 3.207 -2.924 -2.701) 5.112 1.472 ( 8.567 0.076 1.562) 8.708 1.607 ( -0.188 -2.094 2.498) 3.265 1.647 ( -1.423 -4.335 0.143) 4.565 1.778 ( -2.001 -1.061 0.842) 2.416 1.789 ( 1.247 -0.409 -0.673) 1.475 1.863 ( 0.481 -0.917 0.174) 1.051 1.897 ( -1.712 -2.479 -1.054) 3.192 1.987 ( -1.908 -1.206 -0.103) 2.260 2.098 ( 2.348 -0.052 -2.174) 3.200 2.239 ( 0.507 -2.707 -0.770) 2.859 2.287 ( 2.368 4.445 0.483) 5.060 2.392 ( -0.630 2.127 -0.491) 2.271 2.515 ( 2.721 0.094 -1.125) 2.946 2.629 ( 0.979 -0.026 0.280) 1.019 2.808 ( -3.961 -0.477 -0.798) 4.069 2.931 ( -0.694 -3.834 0.194) 3.901 3.066 ( -0.494 -2.950 0.097) 2.993 3.128 ( 1.308 0.055 0.869) 1.572 3.213 ( 2.029 0.450 0.295) 2.099 5.577 ( -1.333 -4.819 0.270) 5.007 5.759 ( 0.003 -2.189 1.083) 2.442 6.369 ( -3.712 -11.444 2.338) 12.256 6.445 ( -1.236 -12.983 0.804) 13.066 6.858 ( 2.038 -10.294 1.534) 10.605 6.877 ( 2.231 -9.649 -1.534) 10.022 7.110 ( 0.639 -6.817 1.594) 7.030 7.168 ( 1.490 -6.371 -1.806) 6.788 7.403 ( 4.644 -0.882 0.394) 4.744 7.486 ( -0.558 -4.649 -0.777) 4.746 8.011 ( -2.154 -0.493 -0.046) 2.210 8.222 ( -0.787 3.880 0.082) 3.960 ======================= Grid point 445 (205/242) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -4.663 -3.001 0.570) 5.574 1.053 ( 2.104 2.087 1.534) 3.337 1.229 ( -2.625 -2.241 1.425) 3.734 1.323 ( 4.703 0.640 -0.122) 4.748 1.457 ( 0.987 -1.529 0.287) 1.842 1.528 ( 5.293 -2.427 -0.213) 5.826 1.652 ( -1.250 -1.042 -0.020) 1.627 1.717 ( 0.317 -4.020 0.992) 4.153 1.802 ( -1.021 -1.822 0.671) 2.194 1.842 ( 1.371 -2.214 1.028) 2.800 1.862 ( -1.390 0.482 -1.743) 2.281 1.908 ( -0.393 0.681 0.382) 0.874 1.994 ( -1.437 -0.960 0.240) 1.745 2.059 ( 0.559 3.082 -0.384) 3.155 2.253 ( 1.337 0.961 0.201) 1.659 2.279 ( 2.471 -1.469 -1.652) 3.316 2.355 ( -0.908 0.719 0.692) 1.349 2.499 ( 2.480 2.763 -0.255) 3.722 2.617 ( -0.923 0.837 -0.476) 1.334 2.821 ( -2.258 -2.143 -0.913) 3.244 2.993 ( -0.380 -2.453 0.023) 2.483 3.109 ( -0.911 -1.526 0.031) 1.777 3.142 ( 1.351 -0.587 0.427) 1.534 3.209 ( 1.526 0.847 0.452) 1.803 5.666 ( -0.215 -4.346 0.493) 4.379 5.778 ( -0.566 0.336 0.489) 0.820 6.511 ( -2.787 -5.187 1.939) 6.199 6.646 ( 0.744 -6.564 0.327) 6.614 7.044 ( 1.469 -7.167 1.835) 7.542 7.067 ( 3.997 -7.098 -1.386) 8.263 7.211 ( -1.760 -3.563 -0.344) 3.989 7.258 ( -0.276 -2.183 -0.189) 2.209 7.443 ( 2.961 -0.874 0.057) 3.088 7.567 ( -0.193 -3.452 -0.200) 3.464 8.025 ( -1.847 -1.999 0.109) 2.724 8.142 ( -0.189 3.905 -0.045) 3.910 ======================= Grid point 446 (206/242) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 -0.000 0.000) 0.000 1.033 ( 0.000 0.000 0.000) 0.000 1.246 ( -0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.474 ( -0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.652 ( -0.000 -0.000 0.000) 0.000 1.792 ( -0.000 0.000 0.000) 0.000 1.838 ( -0.000 -0.000 -0.000) 0.000 1.839 ( 0.000 0.000 -0.000) 0.000 1.845 ( 0.000 -0.000 0.000) 0.000 1.872 ( 0.000 -0.000 0.000) 0.000 2.018 ( 0.000 -0.000 -0.000) 0.000 2.026 ( -0.000 0.000 0.000) 0.000 2.247 ( -0.000 0.000 0.000) 0.000 2.320 ( -0.000 0.000 0.000) 0.000 2.332 ( 0.000 -0.000 -0.000) 0.000 2.470 ( -0.000 -0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.839 ( -0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.119 ( -0.000 -0.000 0.000) 0.000 3.156 ( -0.000 -0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.712 ( -0.000 0.000 0.000) 0.000 7.127 ( -0.000 -0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 -0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 8.077 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 454 (207/242) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.842 -0.000 -8.603) 8.798 0.819 ( 7.790 0.000 -0.065) 7.790 1.155 ( -4.222 -0.000 -1.721) 4.560 1.171 ( 2.621 0.000 5.758) 6.326 1.264 ( -0.788 -0.000 2.096) 2.239 1.283 ( -3.734 -0.000 0.131) 3.736 1.313 ( -0.140 -0.000 -2.000) 2.005 1.378 ( 4.678 0.000 -8.375) 9.593 1.509 ( 2.789 0.000 2.704) 3.884 1.648 ( -0.352 -0.000 -1.714) 1.749 1.832 ( -2.929 -0.000 -4.344) 5.239 1.901 ( 0.281 0.000 0.988) 1.027 1.977 ( 1.049 0.000 6.200) 6.288 2.039 ( 1.688 0.000 -0.408) 1.737 2.122 ( 6.693 0.000 0.801) 6.741 2.146 ( 0.848 0.000 -1.386) 1.625 2.186 ( -0.287 -0.000 2.133) 2.152 2.482 ( -1.219 -0.000 -0.241) 1.243 2.604 ( 0.171 0.000 1.757) 1.765 2.700 ( -0.281 -0.000 -0.247) 0.374 3.032 ( -1.444 -0.000 0.894) 1.698 3.040 ( -0.054 -0.000 0.045) 0.070 3.072 ( -1.490 -0.000 -1.483) 2.102 3.238 ( 1.903 0.000 -0.071) 1.904 4.380 ( 1.232 0.000 -0.790) 1.464 5.313 ( -2.770 -0.000 -0.696) 2.856 5.805 ( -2.404 -0.000 -0.541) 2.464 5.812 ( -1.170 -0.000 0.191) 1.185 6.041 ( -12.089 -0.000 -6.427) 13.692 6.272 ( 2.658 0.000 0.234) 2.668 6.692 ( -6.378 -0.000 3.553) 7.301 6.964 ( 13.015 0.000 1.477) 13.099 7.324 ( -1.693 -0.000 -1.332) 2.154 7.419 ( 5.687 0.000 -0.184) 5.690 8.083 ( -0.762 -0.000 -0.072) 0.766 8.419 ( -0.474 -0.000 0.049) 0.477 ======================= Grid point 455 (208/242) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.395 -0.330 -11.117) 11.129 0.851 ( 5.355 -0.074 1.244) 5.499 1.092 ( -3.216 -0.151 6.831) 7.552 1.201 ( 2.994 2.756 -2.743) 4.908 1.263 ( 0.915 0.194 0.128) 0.944 1.297 ( 1.471 -2.965 0.851) 3.418 1.324 ( -0.247 -7.251 -0.675) 7.287 1.494 ( 3.198 0.369 1.434) 3.524 1.550 ( -0.443 -10.050 -6.432) 11.940 1.689 ( -0.468 -3.642 -3.287) 4.928 1.806 ( -1.155 -0.330 -2.155) 2.467 1.887 ( 1.344 2.067 1.924) 3.127 1.946 ( 0.618 3.369 3.767) 5.091 2.025 ( 3.133 3.136 0.750) 4.495 2.124 ( 0.946 -0.617 2.258) 2.525 2.195 ( 3.762 -1.807 -1.255) 4.358 2.299 ( 3.177 -8.176 -0.142) 8.772 2.540 ( -0.932 3.663 0.335) 3.794 2.593 ( -2.329 -9.451 0.324) 9.739 2.671 ( 0.350 2.060 -0.033) 2.090 2.956 ( -2.442 3.565 -0.294) 4.331 3.005 ( -0.322 2.922 -0.053) 2.940 3.135 ( -0.871 -3.694 -0.514) 3.830 3.217 ( 2.902 2.414 0.359) 3.792 4.783 ( -1.308 -32.121 1.387) 32.178 5.384 ( -3.327 -6.709 -0.445) 7.502 5.680 ( -5.112 2.122 -3.066) 6.327 5.770 ( -2.078 0.893 -0.103) 2.264 6.151 ( -10.229 -12.200 -3.660) 16.336 6.384 ( 3.040 -8.255 -0.435) 8.807 6.696 ( -2.701 -2.304 3.484) 4.974 6.992 ( 10.720 2.942 0.408) 11.124 7.318 ( -1.935 -0.816 -1.880) 2.819 7.426 ( 8.074 2.444 0.817) 8.476 8.067 ( -1.340 0.993 -0.146) 1.674 8.401 ( -0.795 1.551 0.086) 1.745 ======================= Grid point 456 (209/242) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -1.273 -1.295 -3.589) 4.022 0.871 ( 4.000 -0.958 1.795) 4.488 1.106 ( 1.151 1.095 7.083) 7.259 1.219 ( 0.740 -4.289 -4.243) 6.079 1.273 ( 2.976 -0.458 -0.517) 3.055 1.372 ( 3.193 -3.012 2.400) 5.003 1.456 ( 2.253 -4.281 1.858) 5.182 1.606 ( 0.559 -9.490 -0.470) 9.518 1.673 ( -2.768 -3.655 -3.759) 5.929 1.745 ( 0.691 -1.632 -2.920) 3.416 1.849 ( 1.455 -2.527 -2.414) 3.786 1.854 ( 1.994 1.163 0.415) 2.345 1.904 ( -0.022 0.003 2.405) 2.405 1.981 ( 1.685 1.663 -0.285) 2.385 2.160 ( 3.041 -1.465 2.534) 4.220 2.273 ( 2.415 -3.997 -3.939) 6.110 2.438 ( 2.819 -2.404 0.286) 3.716 2.500 ( -2.539 -0.842 0.206) 2.683 2.617 ( 1.339 1.059 -0.431) 1.760 2.775 ( -3.794 -6.585 1.523) 7.751 2.901 ( -0.312 1.198 -1.503) 1.948 2.932 ( -1.816 2.070 0.743) 2.852 3.177 ( 2.027 0.965 0.115) 2.248 3.195 ( 1.449 -0.402 0.279) 1.529 5.384 ( -1.523 -22.833 -1.551) 22.936 5.442 ( -4.038 -5.886 3.179) 7.814 5.746 ( -4.588 -7.292 0.156) 8.617 5.858 ( -2.814 -13.883 -1.064) 14.205 6.349 ( -6.156 -13.210 -1.448) 14.645 6.562 ( 1.301 -7.865 -0.090) 7.973 6.789 ( 1.641 -7.046 2.738) 7.736 7.007 ( 8.865 0.062 -1.425) 8.979 7.332 ( -2.021 -2.307 -2.024) 3.675 7.426 ( 8.170 2.024 1.224) 8.505 8.033 ( -2.173 1.284 -0.247) 2.536 8.353 ( -1.203 2.669 0.138) 2.930 ======================= Grid point 457 (210/242) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -3.699 1.638 3.559) 5.388 0.991 ( 2.573 -6.612 1.869) 7.337 1.115 ( 1.528 -0.441 3.361) 3.719 1.278 ( 0.938 -1.745 0.452) 2.031 1.341 ( 4.791 -4.201 -4.725) 7.933 1.469 ( 4.103 -4.268 5.029) 7.768 1.551 ( 0.761 -4.135 0.395) 4.223 1.656 ( 2.894 3.375 0.568) 4.482 1.732 ( -3.093 -2.600 -1.264) 4.234 1.799 ( -0.074 -3.071 -0.728) 3.157 1.823 ( 1.564 -0.062 -0.207) 1.579 1.867 ( 2.301 0.426 0.892) 2.504 1.954 ( -0.651 -1.451 0.091) 1.593 2.030 ( -0.317 -5.764 -3.622) 6.815 2.213 ( 3.945 -1.346 -0.215) 4.174 2.337 ( -1.366 -2.260 -3.295) 4.222 2.408 ( 0.648 2.674 -0.643) 2.826 2.528 ( 0.930 -0.172 0.614) 1.128 2.637 ( 2.787 -0.709 0.482) 2.915 2.809 ( -3.145 1.652 -0.520) 3.590 2.852 ( -2.049 -1.988 0.771) 2.957 2.989 ( -1.296 -4.524 0.189) 4.709 3.157 ( 2.804 1.583 0.712) 3.298 3.222 ( 1.674 -0.704 0.163) 1.823 5.472 ( -2.538 -4.409 -0.931) 5.172 5.694 ( -0.001 -5.631 2.084) 6.004 6.030 ( -3.142 -21.001 2.554) 21.388 6.142 ( -5.450 -15.371 0.101) 16.309 6.609 ( -0.968 -15.042 -0.094) 15.073 6.716 ( 1.369 -7.622 0.254) 7.748 6.976 ( 2.977 -8.913 2.443) 9.710 7.074 ( 5.740 -3.068 -2.438) 6.950 7.383 ( -1.046 -4.033 -1.666) 4.487 7.441 ( 6.738 0.687 0.771) 6.817 7.999 ( -2.883 0.638 -0.220) 2.961 8.287 ( -1.420 3.299 0.166) 3.596 ======================= Grid point 458 (211/242) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -4.040 -0.833 2.668) 4.913 1.084 ( 0.422 -0.839 3.816) 3.929 1.163 ( -0.562 -3.172 1.228) 3.447 1.338 ( 4.686 -2.502 0.223) 5.317 1.423 ( 2.686 -2.671 -1.763) 4.178 1.560 ( 4.459 2.130 -0.839) 5.013 1.595 ( 0.601 -4.070 1.932) 4.545 1.670 ( 2.568 -2.110 2.771) 4.328 1.757 ( -1.702 -2.194 -0.027) 2.777 1.797 ( 0.120 -0.956 -0.720) 1.203 1.863 ( 0.634 -0.674 -1.473) 1.740 1.895 ( 0.867 -1.525 1.268) 2.164 1.963 ( -2.537 -0.733 0.263) 2.654 2.098 ( -0.865 -0.979 -1.135) 1.730 2.241 ( 1.610 0.056 -2.749) 3.186 2.311 ( 1.014 1.775 0.144) 2.049 2.391 ( 1.199 1.277 0.068) 1.753 2.539 ( 2.656 0.017 -1.261) 2.940 2.638 ( 0.230 1.131 0.275) 1.186 2.769 ( -2.388 -0.283 -0.790) 2.531 2.917 ( -2.100 -4.188 0.155) 4.688 3.058 ( -1.064 -3.160 0.207) 3.341 3.153 ( 2.360 0.487 0.838) 2.552 3.235 ( 1.903 0.449 0.323) 1.981 5.562 ( -1.648 -5.640 0.265) 5.881 5.765 ( 0.146 -1.713 1.201) 2.097 6.339 ( -3.784 -11.063 2.445) 11.946 6.434 ( -1.807 -15.346 1.255) 15.503 6.886 ( 1.981 -8.771 0.770) 9.025 6.897 ( 2.326 -12.733 -0.187) 12.945 7.134 ( 2.632 -4.054 0.997) 4.935 7.172 ( 0.789 -5.724 -1.681) 6.018 7.453 ( 3.828 -1.221 -0.271) 4.027 7.483 ( 1.289 -3.651 -0.280) 3.882 7.983 ( -3.043 -0.827 -0.069) 3.154 8.212 ( -1.154 3.578 0.106) 3.761 ======================= Grid point 459 (212/242) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -3.100 -3.394 0.337) 4.609 1.075 ( 0.274 2.174 2.610) 3.408 1.211 ( -1.734 -2.153 0.914) 2.911 1.375 ( 5.138 1.977 -0.372) 5.517 1.467 ( 0.780 -0.930 0.011) 1.214 1.565 ( 1.972 -1.765 -0.416) 2.679 1.657 ( 2.151 -0.071 0.577) 2.228 1.721 ( -0.433 -3.479 0.840) 3.605 1.798 ( -0.707 -2.327 0.562) 2.496 1.818 ( -1.708 -0.991 -1.223) 2.323 1.881 ( 2.102 0.326 -0.355) 2.156 1.909 ( -0.093 0.816 0.832) 1.169 1.986 ( -0.189 -2.399 0.286) 2.423 2.059 ( -0.834 2.816 0.982) 3.096 2.235 ( -1.616 -0.608 -1.286) 2.153 2.298 ( -0.636 0.155 -0.842) 1.067 2.372 ( 3.922 2.074 0.447) 4.459 2.520 ( 1.730 2.522 -0.812) 3.165 2.612 ( 0.013 1.363 0.535) 1.465 2.797 ( -1.083 -3.153 -1.429) 3.628 2.977 ( -2.581 -2.969 0.122) 3.936 3.103 ( -0.326 -1.703 0.223) 1.748 3.161 ( 1.814 0.085 0.329) 1.845 3.226 ( 1.154 1.369 0.339) 1.822 5.666 ( -0.262 -4.997 0.548) 5.034 5.773 ( -0.690 0.771 0.444) 1.125 6.495 ( -1.674 -6.004 1.546) 6.421 6.651 ( -0.264 -6.723 0.696) 6.764 7.063 ( 1.140 -7.202 1.424) 7.430 7.112 ( 4.493 -6.538 -0.257) 7.937 7.191 ( -1.176 -2.241 -1.294) 2.843 7.253 ( -0.575 -1.959 0.065) 2.043 7.474 ( 2.766 0.544 0.012) 2.819 7.566 ( 0.241 -3.489 -0.162) 3.501 8.003 ( -2.276 -2.650 0.101) 3.495 8.139 ( -0.315 3.384 -0.036) 3.399 ======================= Grid point 460 (213/242) ======================= q-point: (-0.42 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.659 -3.217 -0.993) 3.430 1.029 ( -1.310 2.071 1.699) 2.981 1.237 ( -1.347 -1.221 0.048) 1.819 1.339 ( 2.552 2.983 -0.599) 3.971 1.471 ( -0.257 0.489 -0.273) 0.616 1.573 ( -0.974 2.695 0.144) 2.870 1.659 ( 1.097 -0.053 0.123) 1.105 1.789 ( -1.122 -1.038 1.157) 1.917 1.817 ( -0.730 -0.578 -2.013) 2.218 1.841 ( 0.000 2.562 -0.905) 2.717 1.859 ( 0.815 -2.625 0.923) 2.899 1.887 ( 2.466 0.331 0.911) 2.649 2.012 ( -0.516 0.352 -0.967) 1.151 2.027 ( -0.074 -0.043 0.470) 0.478 2.225 ( -4.284 0.478 0.720) 4.370 2.300 ( -1.576 0.116 1.087) 1.918 2.362 ( 3.789 -0.463 -1.774) 4.209 2.470 ( 0.089 2.333 -0.266) 2.350 2.611 ( 1.090 -0.681 0.899) 1.568 2.842 ( 0.882 -1.222 -0.585) 1.617 3.003 ( -2.572 -0.911 0.242) 2.740 3.123 ( 0.512 -0.315 0.196) 0.632 3.162 ( 1.031 0.946 -0.139) 1.406 3.201 ( -0.452 1.027 -0.066) 1.124 5.730 ( -0.428 1.797 0.114) 1.850 5.752 ( 0.255 -2.053 -0.067) 2.070 6.562 ( 0.940 -0.793 -0.382) 1.287 6.708 ( -0.871 0.442 0.300) 1.022 7.116 ( -1.800 2.131 0.484) 2.831 7.169 ( 1.060 2.638 -0.588) 2.903 7.243 ( 0.314 -2.395 0.895) 2.576 7.266 ( 0.936 -0.494 -0.786) 1.318 7.459 ( -0.322 1.604 0.054) 1.637 7.604 ( 0.236 -0.024 -0.027) 0.238 8.060 ( -0.686 -3.462 0.038) 3.530 8.080 ( 0.419 2.217 -0.038) 2.257 ======================= Grid point 461 (214/242) ======================= q-point: (-0.33 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 5.538 2.350 -1.056) 6.108 1.018 ( -3.785 -2.151 0.175) 4.357 1.248 ( 1.380 -0.099 -1.355) 1.936 1.287 ( -0.892 2.794 -0.288) 2.947 1.446 ( -0.826 1.991 -0.320) 2.179 1.465 ( -6.325 4.860 0.216) 7.979 1.672 ( 2.029 0.785 0.242) 2.189 1.709 ( -0.403 4.424 -0.771) 4.509 1.806 ( -2.670 1.857 -1.534) 3.596 1.812 ( 1.042 1.035 -0.434) 1.531 1.895 ( 1.554 1.308 0.306) 2.054 1.924 ( 3.259 -0.990 1.353) 3.665 2.010 ( 1.788 -0.755 -0.400) 1.981 2.052 ( -1.555 -2.274 1.304) 3.048 2.190 ( -7.282 -0.978 0.001) 7.348 2.295 ( 2.696 -0.017 -1.227) 2.962 2.364 ( 0.112 1.511 1.342) 2.024 2.475 ( -1.865 -2.722 -0.434) 3.328 2.631 ( 1.025 -0.131 0.853) 1.339 2.851 ( 2.924 0.956 0.254) 3.087 2.985 ( -1.810 1.570 0.234) 2.408 3.120 ( 0.998 2.013 0.060) 2.248 3.131 ( -0.377 1.001 -0.425) 1.151 3.191 ( -1.442 -0.410 -0.406) 1.554 5.666 ( 0.120 3.792 -0.324) 3.808 5.781 ( 0.363 0.005 -0.394) 0.536 6.535 ( 3.286 4.378 -1.884) 5.789 6.632 ( -1.761 6.500 0.216) 6.738 7.011 ( -2.826 6.661 -0.671) 7.267 7.048 ( -0.975 8.410 0.540) 8.483 7.230 ( 1.802 4.291 -0.192) 4.658 7.261 ( 0.008 2.515 0.434) 2.552 7.414 ( -2.437 2.061 -0.095) 3.193 7.571 ( 0.268 3.279 0.157) 3.293 8.040 ( 1.152 1.561 -0.083) 1.942 8.143 ( 0.066 -4.330 0.039) 4.330 ======================= Grid point 462 (215/242) ======================= q-point: (-0.25 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.789 2.136 -1.430) 5.436 1.027 ( -2.015 0.457 -1.125) 2.353 1.164 ( 0.318 8.470 -1.124) 8.550 1.269 ( 0.045 -0.042 -1.279) 1.280 1.364 ( -7.731 0.528 3.683) 8.580 1.401 ( -1.724 2.080 -2.263) 3.524 1.587 ( -0.960 4.792 -1.752) 5.191 1.673 ( 1.888 2.420 0.092) 3.071 1.778 ( -0.076 -1.273 -0.233) 1.296 1.797 ( 1.004 0.982 0.146) 1.412 1.856 ( -0.187 2.538 -0.569) 2.608 1.932 ( 3.682 2.634 0.949) 4.625 1.999 ( -0.363 2.428 1.016) 2.657 2.072 ( -3.426 -0.760 1.083) 3.672 2.225 ( -1.772 -1.362 -0.778) 2.366 2.277 ( 0.349 -0.312 0.368) 0.595 2.399 ( 0.341 -3.656 0.287) 3.683 2.496 ( -1.560 -0.342 0.712) 1.748 2.619 ( -0.604 1.564 -0.118) 1.681 2.853 ( 3.782 0.457 0.532) 3.846 2.928 ( -1.083 3.077 -0.175) 3.266 3.066 ( -0.248 2.868 -0.112) 2.881 3.120 ( 0.080 0.552 -0.505) 0.752 3.193 ( -1.445 -0.504 -0.174) 1.541 5.587 ( 0.733 4.280 -0.170) 4.346 5.755 ( 0.066 2.394 -0.648) 2.481 6.393 ( 2.267 13.001 -1.498) 13.282 6.452 ( 0.580 9.967 -0.287) 9.988 6.835 ( -1.153 9.663 -1.000) 9.783 6.863 ( -1.573 9.236 1.196) 9.445 7.107 ( 1.477 8.264 -1.692) 8.564 7.157 ( -2.197 7.354 1.724) 7.866 7.360 ( -2.868 1.718 -0.356) 3.362 7.495 ( 0.507 4.277 0.484) 4.334 8.028 ( 1.086 0.276 0.023) 1.121 8.228 ( 0.380 -4.060 -0.044) 4.078 ======================= Grid point 463 (216/242) ======================= q-point: (-0.17 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 3.161 -1.028 -1.014) 3.476 0.938 ( -0.872 8.234 -0.405) 8.290 1.025 ( -2.843 2.348 -0.883) 3.791 1.257 ( -0.223 0.668 -0.632) 0.946 1.318 ( -0.809 3.227 4.689) 5.749 1.345 ( -2.128 2.240 -4.271) 5.272 1.494 ( -1.224 3.677 -0.449) 3.901 1.685 ( 0.967 -3.329 -0.031) 3.467 1.768 ( -0.312 6.432 -0.714) 6.479 1.785 ( 0.343 0.752 0.800) 1.150 1.827 ( 0.880 -2.417 0.308) 2.591 1.884 ( 2.635 3.601 -0.093) 4.463 1.934 ( -2.722 2.453 0.656) 3.722 2.069 ( 0.758 1.637 2.540) 3.115 2.120 ( -2.536 6.612 -2.018) 7.364 2.371 ( -0.091 -4.530 -0.812) 4.603 2.385 ( -0.613 4.795 2.100) 5.271 2.534 ( 0.971 -2.354 -0.581) 2.612 2.579 ( -1.470 1.107 0.024) 1.840 2.870 ( 0.648 0.263 0.199) 0.727 2.884 ( 1.432 -0.267 -0.246) 1.478 2.996 ( -0.272 4.627 0.025) 4.635 3.113 ( -0.563 -0.560 -0.340) 0.864 3.195 ( -0.521 -0.247 0.007) 0.577 5.512 ( 0.567 3.469 0.207) 3.521 5.688 ( 0.244 4.982 -0.598) 5.024 6.059 ( 0.728 19.630 -0.581) 19.652 6.221 ( 1.409 15.111 -0.085) 15.177 6.638 ( 1.756 9.654 -0.364) 9.819 6.687 ( -2.042 8.001 0.716) 8.289 6.943 ( 3.910 8.572 -3.057) 9.905 6.985 ( -5.595 7.592 2.831) 9.847 7.320 ( -2.139 0.751 -0.367) 2.296 7.421 ( 0.488 3.505 0.476) 3.570 8.038 ( 0.611 -0.685 0.046) 0.919 8.304 ( 0.270 -3.454 -0.038) 3.465 ======================= Grid point 464 (217/242) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 4.477 0.000) 4.477 0.890 ( 0.000 -2.164 0.000) 2.164 0.997 ( -0.000 -0.488 0.000) 0.488 1.222 ( -0.000 2.583 0.000) 2.583 1.265 ( 0.000 2.765 -0.000) 2.765 1.303 ( -0.000 0.159 0.000) 0.159 1.431 ( 0.000 1.898 0.000) 1.898 1.580 ( -0.000 11.531 0.000) 11.531 1.770 ( 0.000 1.995 0.000) 1.995 1.780 ( -0.000 -4.466 -0.000) 4.466 1.829 ( 0.000 1.403 0.000) 1.403 1.843 ( -0.000 9.026 -0.000) 9.026 1.887 ( 0.000 -2.069 0.000) 2.069 1.958 ( 0.000 1.787 0.000) 1.787 2.084 ( 0.000 -0.611 0.000) 0.611 2.257 ( -0.000 6.595 0.000) 6.595 2.394 ( -0.000 3.082 0.000) 3.082 2.544 ( -0.000 1.155 0.000) 1.155 2.595 ( 0.000 -3.413 0.000) 3.413 2.815 ( 0.000 8.504 0.000) 8.504 2.920 ( 0.000 -2.356 0.000) 2.356 2.944 ( 0.000 -2.454 0.000) 2.454 3.140 ( 0.000 -2.150 0.000) 2.150 3.189 ( 0.000 0.992 0.000) 0.992 5.412 ( -0.000 26.252 0.000) 26.252 5.469 ( 0.000 1.073 0.000) 1.073 5.793 ( 0.000 4.111 0.000) 4.111 5.897 ( 0.000 16.158 0.000) 16.158 6.469 ( -0.000 8.922 0.000) 8.922 6.516 ( 0.000 8.901 0.000) 8.901 6.835 ( -0.000 3.354 0.000) 3.354 6.839 ( 0.000 4.643 -0.000) 4.643 7.315 ( 0.000 -1.045 0.000) 1.045 7.368 ( 0.000 2.024 0.000) 2.024 8.058 ( 0.000 -1.095 0.000) 1.095 8.365 ( -0.000 -2.648 0.000) 2.648 ======================= Grid point 468 (218/242) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -1.331 -0.000 -11.528) 11.604 0.917 ( 10.416 0.000 -2.149) 10.635 1.076 ( -7.232 -0.000 -4.510) 8.523 1.194 ( -2.687 -0.000 -1.061) 2.889 1.260 ( -1.758 -0.000 3.552) 3.963 1.262 ( -1.839 -0.000 2.836) 3.380 1.316 ( 2.337 0.000 2.442) 3.380 1.416 ( 10.065 0.000 -8.877) 13.420 1.556 ( 3.162 0.000 3.130) 4.449 1.628 ( -0.671 -0.000 -4.558) 4.608 1.794 ( -0.790 -0.000 -3.017) 3.119 1.910 ( 0.108 0.000 3.050) 3.052 2.018 ( 2.313 0.000 3.814) 4.460 2.069 ( 2.871 0.000 1.490) 3.235 2.150 ( 1.543 0.000 -2.548) 2.979 2.189 ( 2.198 0.000 3.692) 4.297 2.205 ( 4.572 0.000 -0.213) 4.577 2.462 ( -2.273 -0.000 -0.397) 2.307 2.610 ( -1.375 -0.000 2.631) 2.969 2.697 ( -0.020 -0.000 -0.326) 0.327 3.001 ( -5.061 -0.000 0.819) 5.126 3.039 ( -0.072 -0.000 0.081) 0.109 3.060 ( 0.910 0.000 -1.651) 1.885 3.263 ( 2.910 0.000 -0.096) 2.911 4.393 ( 2.134 0.000 -1.487) 2.601 5.268 ( -4.746 -0.000 -0.980) 4.846 5.742 ( -10.489 -0.000 -3.394) 11.024 5.799 ( -1.452 -0.000 0.311) 1.485 5.865 ( -10.760 -0.000 -7.719) 13.243 6.310 ( 3.958 0.000 0.313) 3.971 6.672 ( -1.042 -0.000 3.294) 3.455 7.090 ( 8.835 0.000 2.463) 9.172 7.295 ( -2.000 -0.000 -2.349) 3.085 7.504 ( 9.517 0.000 0.961) 9.565 8.071 ( -1.318 -0.000 -0.065) 1.319 8.412 ( -0.975 -0.000 0.111) 0.982 ======================= Grid point 469 (219/242) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.186 -2.396 -9.130) 9.441 0.924 ( 6.915 1.909 -2.906) 7.740 1.061 ( -4.913 -3.805 0.682) 6.252 1.209 ( -0.856 1.124 -0.064) 1.414 1.251 ( -1.346 -3.449 0.155) 3.705 1.311 ( -0.096 -3.366 -0.105) 3.369 1.372 ( 5.642 -4.356 4.670) 8.522 1.531 ( 5.313 -1.246 -2.561) 6.028 1.535 ( 1.403 -4.302 -4.013) 6.048 1.676 ( 1.662 -4.196 -3.512) 5.719 1.792 ( -0.149 -0.650 -1.881) 1.996 1.911 ( 1.422 0.951 3.261) 3.682 1.979 ( 2.251 4.538 2.884) 5.829 2.062 ( 3.514 3.838 -0.253) 5.210 2.137 ( -0.383 -2.162 2.814) 3.569 2.230 ( 3.885 -0.976 -2.396) 4.668 2.336 ( 3.635 -8.242 0.044) 9.008 2.526 ( -2.109 4.683 0.346) 5.148 2.564 ( -3.372 -8.465 0.458) 9.123 2.676 ( 0.558 1.040 0.217) 1.200 2.923 ( -3.477 2.992 -0.028) 4.587 3.001 ( -0.084 3.367 -0.482) 3.403 3.126 ( -0.458 -3.973 -0.500) 4.031 3.253 ( 3.569 2.183 0.355) 4.199 4.774 ( -1.573 -30.722 1.442) 30.796 5.342 ( -4.123 -7.570 -0.529) 8.636 5.578 ( -10.259 0.679 -5.514) 11.667 5.746 ( -2.141 -0.122 -0.382) 2.178 6.038 ( -7.469 -13.654 -2.960) 15.842 6.414 ( 2.857 -7.284 -0.036) 7.824 6.704 ( 0.973 -2.994 2.871) 4.261 7.096 ( 8.632 3.179 0.557) 9.216 7.287 ( -1.706 -0.766 -2.532) 3.148 7.526 ( 8.980 2.687 1.623) 9.513 8.049 ( -1.748 1.328 -0.200) 2.204 8.390 ( -1.354 1.635 0.147) 2.128 ======================= Grid point 470 (220/242) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.046 -1.176 -0.341) 1.225 0.920 ( 4.302 -0.755 -0.477) 4.394 1.119 ( -3.164 -1.826 3.385) 4.981 1.216 ( 1.699 -2.960 -1.997) 3.954 1.302 ( 2.908 -1.858 -1.177) 3.646 1.409 ( 1.671 -4.411 1.993) 5.120 1.496 ( 2.744 -3.551 4.320) 6.229 1.599 ( -1.304 -7.775 -1.956) 8.123 1.648 ( 1.854 -4.284 -3.231) 5.677 1.761 ( 3.336 -0.852 -1.087) 3.611 1.839 ( 0.722 -5.993 -3.572) 7.014 1.896 ( 3.767 2.745 1.430) 4.875 1.920 ( 0.935 1.686 2.147) 2.886 1.999 ( 2.364 3.355 -0.442) 4.128 2.188 ( 0.570 -2.408 0.727) 2.579 2.278 ( 2.067 -2.295 -4.120) 5.149 2.436 ( -3.259 0.725 -0.134) 3.342 2.506 ( 2.991 -3.466 0.657) 4.626 2.622 ( -0.198 -1.224 -0.378) 1.296 2.746 ( -2.410 -4.941 1.478) 5.693 2.893 ( -0.605 -1.167 -0.724) 1.501 2.912 ( -2.204 3.787 0.282) 4.391 3.189 ( 0.865 -2.191 -0.342) 2.380 3.226 ( 3.329 2.163 0.684) 4.028 5.360 ( -1.284 -18.275 -2.607) 18.504 5.406 ( -5.474 -11.999 3.393) 13.618 5.692 ( -5.595 -11.494 0.727) 12.804 5.822 ( -2.987 -10.992 -1.235) 11.458 6.286 ( -4.359 -15.569 -1.033) 16.201 6.577 ( 1.535 -7.590 0.381) 7.753 6.825 ( 2.569 -7.575 2.089) 8.267 7.095 ( 8.434 1.161 -1.183) 8.595 7.304 ( -0.831 -2.530 -2.432) 3.607 7.517 ( 7.393 2.662 1.393) 7.980 8.006 ( -2.619 1.630 -0.351) 3.104 8.338 ( -1.793 2.697 0.189) 3.244 ======================= Grid point 471 (221/242) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -1.737 2.399 3.945) 4.933 1.024 ( 1.934 -5.514 1.480) 6.028 1.132 ( -1.029 -0.756 3.041) 3.298 1.291 ( 1.951 -3.653 -0.996) 4.260 1.374 ( 4.276 -3.424 -2.742) 6.126 1.508 ( -0.008 -4.705 1.734) 5.014 1.573 ( 3.517 -2.236 3.626) 5.524 1.691 ( -3.470 -3.049 -1.304) 4.800 1.718 ( 6.250 0.751 1.377) 6.444 1.782 ( -1.315 -2.098 -2.241) 3.339 1.842 ( 2.060 1.211 -0.722) 2.496 1.905 ( 2.117 1.075 1.630) 2.881 1.946 ( -0.206 -0.234 0.469) 0.563 2.015 ( 0.387 -5.180 -2.184) 5.635 2.243 ( 2.627 -2.091 -2.279) 4.058 2.312 ( -0.337 -1.369 -2.884) 3.211 2.400 ( -1.618 0.609 -0.080) 1.731 2.544 ( 1.196 -0.271 0.062) 1.228 2.660 ( 1.079 -0.007 0.311) 1.123 2.786 ( -0.617 1.292 -0.106) 1.435 2.833 ( -2.166 -1.583 0.480) 2.725 2.973 ( -1.891 -4.685 0.364) 5.066 3.191 ( 3.127 1.762 0.431) 3.615 3.240 ( 1.463 -0.995 0.314) 1.797 5.438 ( -2.950 -5.322 -1.093) 6.182 5.709 ( 0.936 -5.715 2.090) 6.157 6.006 ( -3.632 -22.383 2.821) 22.851 6.084 ( -5.233 -15.699 -0.072) 16.548 6.600 ( -0.675 -17.108 0.017) 17.121 6.737 ( 2.118 -7.809 0.610) 8.114 7.011 ( 1.700 -8.857 1.592) 9.158 7.129 ( 5.802 -0.804 -1.934) 6.169 7.371 ( 0.887 -4.622 -1.764) 5.026 7.513 ( 5.750 1.536 0.832) 6.010 7.964 ( -3.363 0.736 -0.279) 3.454 8.270 ( -1.850 3.137 0.191) 3.647 ======================= Grid point 472 (222/242) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -2.019 0.179 2.489) 3.210 1.096 ( -1.035 -0.929 3.100) 3.398 1.163 ( -0.486 -2.103 1.099) 2.422 1.388 ( 4.763 -3.794 -0.425) 6.104 1.444 ( 2.381 -2.175 -0.591) 3.279 1.552 ( -0.929 -0.013 -1.248) 1.556 1.657 ( 4.951 -2.753 2.236) 6.090 1.690 ( -1.402 0.332 1.793) 2.300 1.762 ( 3.051 -1.573 0.014) 3.433 1.786 ( -0.760 -0.865 -1.141) 1.621 1.869 ( 1.082 -2.099 -0.822) 2.500 1.905 ( -0.688 -0.152 -0.101) 0.712 1.946 ( -0.455 -1.036 1.454) 1.843 2.076 ( -2.497 -1.144 0.299) 2.763 2.250 ( 2.520 2.520 -3.219) 4.802 2.307 ( -1.134 0.345 -0.411) 1.254 2.417 ( 3.009 -0.668 0.439) 3.113 2.557 ( 1.565 0.877 -1.038) 2.072 2.629 ( -1.901 0.103 -0.188) 1.913 2.757 ( 0.643 0.924 -0.263) 1.157 2.891 ( -2.692 -3.978 0.018) 4.803 3.048 ( -1.006 -3.615 0.271) 3.762 3.182 ( 2.388 0.857 0.621) 2.612 3.254 ( 1.292 0.492 0.259) 1.407 5.546 ( -1.525 -6.566 0.185) 6.743 5.772 ( 0.203 -0.992 1.012) 1.431 6.314 ( -2.700 -11.509 1.957) 11.983 6.419 ( -1.945 -16.862 1.301) 17.023 6.906 ( 1.611 -10.231 0.090) 10.358 6.922 ( 1.815 -12.368 0.903) 12.533 7.167 ( 2.730 -1.554 0.090) 3.143 7.171 ( 0.267 -5.514 -1.164) 5.641 7.474 ( 1.941 -4.702 -0.922) 5.170 7.517 ( 3.634 0.698 0.476) 3.731 7.948 ( -3.328 -1.196 -0.082) 3.537 8.199 ( -1.272 3.184 0.104) 3.430 ======================= Grid point 473 (223/242) ======================= q-point: ( 0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -1.487 -3.414 0.241) 3.732 1.082 ( -0.862 2.144 2.270) 3.240 1.200 ( -0.913 -1.794 0.491) 2.072 1.422 ( 3.924 2.854 -0.635) 4.893 1.475 ( 0.794 -0.090 0.068) 0.802 1.575 ( 0.627 -2.716 -0.280) 2.801 1.684 ( 0.918 0.693 0.912) 1.468 1.721 ( 0.858 -1.960 0.209) 2.150 1.780 ( -1.421 -1.313 -1.341) 2.354 1.819 ( 0.639 -2.163 1.645) 2.791 1.891 ( 0.844 0.176 -1.259) 1.526 1.911 ( -0.123 0.499 0.430) 0.670 1.993 ( 1.336 -1.964 -0.257) 2.390 2.048 ( -2.485 1.853 2.047) 3.714 2.220 ( 0.377 -0.117 -1.964) 2.003 2.274 ( -3.208 1.037 0.765) 3.457 2.418 ( 4.243 3.065 -0.786) 5.293 2.528 ( 0.401 1.310 -0.459) 1.445 2.620 ( 0.732 1.482 0.879) 1.872 2.786 ( 0.130 -3.644 -1.378) 3.898 2.946 ( -3.172 -3.003 0.108) 4.369 3.103 ( -0.029 -2.092 0.267) 2.109 3.180 ( 1.511 0.559 0.247) 1.630 3.236 ( 0.590 1.811 0.162) 1.911 5.666 ( -0.213 -5.589 0.435) 5.610 5.768 ( -0.609 1.184 0.305) 1.366 6.489 ( -0.602 -6.700 0.920) 6.789 6.648 ( -0.725 -6.814 0.693) 6.888 7.083 ( 1.569 -6.652 1.459) 6.988 7.145 ( 0.673 -7.850 0.678) 7.908 7.181 ( 1.754 -0.043 -2.424) 2.992 7.246 ( -1.072 -1.774 0.228) 2.085 7.500 ( 1.963 1.870 -0.004) 2.711 7.571 ( 0.718 -3.262 -0.075) 3.341 7.980 ( -2.059 -3.411 0.065) 3.984 8.135 ( -0.320 2.889 -0.019) 2.907 ======================= Grid point 474 (224/242) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.717 -5.553 -1.022) 5.691 1.022 ( -1.386 3.553 1.682) 4.168 1.224 ( -0.896 -1.106 -0.015) 1.424 1.364 ( 2.192 3.754 -0.541) 4.381 1.468 ( -0.043 0.938 -0.155) 0.952 1.562 ( -1.019 5.028 0.115) 5.132 1.671 ( 0.858 -0.065 0.095) 0.865 1.779 ( -1.322 -2.397 0.840) 2.864 1.807 ( 0.085 0.066 -1.340) 1.344 1.837 ( -0.039 3.696 -0.633) 3.750 1.868 ( 0.302 -2.663 0.584) 2.743 1.922 ( 2.911 -1.433 0.681) 3.315 2.002 ( -0.531 0.564 -0.668) 1.023 2.029 ( 0.209 -0.623 0.081) 0.662 2.177 ( -4.659 2.681 0.671) 5.417 2.295 ( -0.233 -1.259 0.323) 1.320 2.388 ( 2.148 -0.564 -0.861) 2.382 2.469 ( 0.007 4.216 -0.264) 4.224 2.628 ( 1.081 -0.983 0.847) 1.689 2.851 ( 1.278 -2.237 -0.719) 2.675 2.974 ( -2.710 -1.314 0.345) 3.031 3.129 ( 0.393 -0.494 0.190) 0.659 3.173 ( 1.090 1.167 -0.133) 1.603 3.194 ( -0.665 2.001 -0.062) 2.109 5.726 ( -0.356 2.383 0.095) 2.412 5.755 ( 0.185 -2.833 -0.048) 2.839 6.572 ( 1.063 -1.504 -0.427) 1.891 6.698 ( -1.003 0.905 0.342) 1.394 7.101 ( -1.201 3.654 0.350) 3.863 7.175 ( 0.504 3.887 -0.438) 3.944 7.251 ( 0.266 -3.301 0.996) 3.458 7.273 ( 0.945 -1.124 -0.907) 1.726 7.456 ( -0.322 2.846 0.060) 2.865 7.607 ( 0.243 0.068 -0.024) 0.254 8.053 ( -0.518 -4.466 0.024) 4.496 8.083 ( 0.245 2.267 -0.024) 2.281 ======================= Grid point 475 (225/242) ======================= q-point: (-0.25 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 4.876 2.717 -1.333) 5.739 0.977 ( -4.267 -3.218 1.167) 5.471 1.241 ( -0.785 -1.265 -0.268) 1.513 1.305 ( 2.938 3.387 -0.723) 4.542 1.405 ( -4.337 8.246 0.388) 9.325 1.439 ( -0.264 1.913 -0.186) 1.940 1.691 ( 1.111 0.972 0.415) 1.533 1.702 ( -0.447 4.394 -0.600) 4.457 1.781 ( -1.048 1.451 -0.609) 1.891 1.818 ( 0.425 0.692 -0.172) 0.830 1.902 ( 0.229 1.210 -0.089) 1.234 1.978 ( 4.888 -0.992 0.919) 5.072 2.022 ( -0.136 -2.440 -0.632) 2.524 2.038 ( -1.604 0.627 1.316) 2.167 2.123 ( -4.264 -1.804 -0.482) 4.654 2.313 ( 1.378 -2.133 -1.079) 2.759 2.368 ( -0.430 4.309 1.290) 4.519 2.460 ( -0.608 -3.021 -0.399) 3.108 2.642 ( 0.426 0.396 0.394) 0.703 2.880 ( 1.917 -0.036 -0.081) 1.919 2.965 ( -1.664 1.213 0.236) 2.072 3.125 ( 0.049 3.152 -0.125) 3.155 3.132 ( 0.428 0.443 -0.020) 0.616 3.178 ( -0.661 -0.166 -0.171) 0.703 5.666 ( 0.035 3.473 -0.111) 3.475 5.782 ( 0.126 0.185 -0.153) 0.271 6.560 ( 2.158 3.414 -1.057) 4.175 6.614 ( -1.602 6.959 0.445) 7.154 6.988 ( -1.118 6.892 -0.135) 6.984 7.044 ( -0.223 8.670 0.115) 8.674 7.244 ( 0.935 4.450 -0.284) 4.556 7.262 ( -0.144 2.952 0.367) 2.978 7.394 ( -1.008 2.739 -0.056) 2.919 7.573 ( 0.111 3.141 0.058) 3.143 8.048 ( 0.387 1.348 -0.031) 1.402 8.143 ( 0.010 -4.569 0.016) 4.569 ======================= Grid point 476 (226/242) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 2.278 0.000) 2.278 1.012 ( -0.000 0.202 0.000) 0.202 1.162 ( 0.000 9.923 0.000) 9.923 1.275 ( 0.000 1.399 0.000) 1.399 1.317 ( -0.000 -2.356 0.000) 2.356 1.390 ( -0.000 2.926 0.000) 2.926 1.578 ( 0.000 5.410 0.000) 5.410 1.682 ( 0.000 2.067 0.000) 2.067 1.779 ( 0.000 -1.976 0.000) 1.976 1.803 ( -0.000 0.906 0.000) 0.906 1.854 ( 0.000 3.037 0.000) 3.037 1.972 ( 0.000 3.647 0.000) 3.647 1.983 ( -0.000 2.907 0.000) 2.907 2.053 ( 0.000 -1.605 0.000) 1.605 2.212 ( 0.000 -3.375 0.000) 3.375 2.282 ( 0.000 1.844 -0.000) 1.844 2.401 ( 0.000 -4.617 0.000) 4.617 2.489 ( 0.000 -0.394 0.000) 0.394 2.616 ( 0.000 2.212 0.000) 2.212 2.881 ( 0.000 0.214 0.000) 0.214 2.916 ( -0.000 2.901 0.000) 2.901 3.064 ( -0.000 2.892 0.000) 2.892 3.120 ( 0.000 0.855 0.000) 0.855 3.184 ( 0.000 -0.556 0.000) 0.556 5.591 ( 0.000 4.095 0.000) 4.095 5.754 ( 0.000 2.440 0.000) 2.440 6.402 ( 0.000 14.117 0.000) 14.117 6.455 ( -0.000 8.322 0.000) 8.322 6.826 ( -0.000 9.030 0.000) 9.030 6.857 ( 0.000 9.595 0.000) 9.595 7.116 ( -0.000 8.155 0.000) 8.155 7.145 ( 0.000 8.253 0.000) 8.253 7.344 ( 0.000 2.039 0.000) 2.039 7.499 ( 0.000 4.113 0.000) 4.113 8.034 ( 0.000 0.203 0.000) 0.203 8.230 ( 0.000 -4.119 0.000) 4.119 ======================= Grid point 482 (227/242) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.235 0.000 -11.169) 11.172 0.944 ( -1.086 -0.000 -16.191) 16.227 1.034 ( 2.099 0.000 5.705) 6.079 1.140 ( -4.632 -0.000 -2.720) 5.372 1.243 ( -2.703 -0.000 0.255) 2.715 1.250 ( -2.653 -0.000 3.249) 4.195 1.384 ( 4.689 0.000 7.130) 8.534 1.499 ( 10.651 0.000 -6.856) 12.667 1.600 ( 2.562 0.000 2.619) 3.663 1.608 ( 3.006 0.000 -5.813) 6.544 1.784 ( 0.568 0.000 -1.912) 1.995 1.935 ( 1.635 0.000 4.059) 4.375 2.054 ( 1.542 0.000 2.672) 3.085 2.104 ( 1.889 0.000 2.284) 2.964 2.156 ( 1.964 0.000 -3.242) 3.791 2.222 ( 2.759 0.000 2.381) 3.644 2.257 ( 4.401 0.000 -0.482) 4.427 2.432 ( -2.952 -0.000 -0.393) 2.978 2.593 ( -3.913 -0.000 1.996) 4.392 2.696 ( -0.207 -0.000 -0.069) 0.218 2.943 ( -6.120 -0.000 0.333) 6.129 3.039 ( -0.053 -0.000 0.099) 0.112 3.071 ( 2.006 0.000 -1.042) 2.261 3.297 ( 3.361 0.000 0.018) 3.362 4.410 ( 2.465 0.000 -1.928) 3.129 5.210 ( -5.368 -0.000 -0.773) 5.423 5.550 ( -16.669 -0.000 -8.934) 18.912 5.781 ( -3.325 -0.000 -3.191) 4.608 5.786 ( -1.132 -0.000 0.312) 1.174 6.353 ( 3.885 0.000 0.254) 3.893 6.687 ( 1.047 0.000 2.862) 3.048 7.169 ( 3.932 0.000 0.660) 3.987 7.276 ( 1.700 0.000 -2.064) 2.674 7.606 ( 7.305 0.000 2.161) 7.618 8.058 ( -0.858 -0.000 0.054) 0.860 8.400 ( -1.458 -0.000 0.173) 1.469 ======================= Grid point 483 (228/242) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 2.288 -4.193 -5.951) 7.631 0.937 ( 0.610 -3.482 -10.565) 11.141 1.026 ( -1.949 0.291 2.466) 3.157 1.188 ( -1.963 -4.354 -1.139) 4.910 1.244 ( -1.312 -2.411 1.728) 3.243 1.305 ( -0.942 -5.447 1.002) 5.618 1.446 ( 3.978 -2.363 4.836) 6.693 1.527 ( 0.122 -0.317 -1.965) 1.994 1.598 ( 7.858 -1.036 -2.022) 8.180 1.701 ( 6.007 -5.472 -3.898) 9.012 1.787 ( 0.987 0.009 -1.276) 1.613 1.948 ( 2.534 0.720 3.573) 4.439 2.007 ( 0.541 4.751 2.075) 5.212 2.100 ( 4.499 3.825 -1.688) 6.142 2.145 ( -0.330 -2.521 3.035) 3.959 2.247 ( 1.658 0.463 -3.174) 3.611 2.372 ( 2.769 -7.905 -0.127) 8.377 2.501 ( -2.735 4.445 0.456) 5.239 2.526 ( -3.925 -7.671 0.445) 8.628 2.683 ( 0.283 0.000 0.435) 0.519 2.883 ( -4.229 1.810 0.119) 4.601 3.002 ( 0.697 4.067 -0.665) 4.180 3.122 ( 0.057 -3.939 -0.300) 3.951 3.293 ( 3.539 1.995 0.277) 4.072 4.763 ( -1.474 -29.185 0.909) 29.236 5.296 ( -3.732 -7.958 -0.936) 8.840 5.434 ( -11.226 -3.330 -5.584) 12.972 5.723 ( -1.861 -0.601 -0.699) 2.076 5.970 ( -3.825 -13.192 -1.583) 13.826 6.443 ( 2.555 -6.345 0.119) 6.841 6.733 ( 1.895 -3.470 2.524) 4.691 7.163 ( 2.666 1.500 -0.930) 3.197 7.282 ( 4.486 0.376 -1.843) 4.864 7.612 ( 5.010 2.669 1.989) 6.015 8.033 ( -0.833 1.992 -0.174) 2.166 8.374 ( -1.801 1.762 0.188) 2.527 ======================= Grid point 484 (229/242) ======================= q-point: ( 0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 1.191 -0.724 2.163) 2.573 0.952 ( 2.680 -1.604 -3.055) 4.369 1.084 ( -3.877 -4.238 0.598) 5.775 1.232 ( 2.102 -2.345 -0.591) 3.204 1.319 ( 0.728 -3.898 -0.544) 4.002 1.429 ( 0.989 -4.476 1.628) 4.864 1.542 ( 0.583 -5.844 1.667) 6.105 1.573 ( 0.133 -4.148 1.331) 4.358 1.674 ( 3.596 -3.969 -1.402) 5.536 1.783 ( 0.709 0.564 -0.880) 1.263 1.841 ( 2.941 -4.440 -3.531) 6.390 1.932 ( 0.860 2.670 0.768) 2.908 1.958 ( 5.435 0.111 2.471) 5.972 2.032 ( 4.057 5.164 -0.013) 6.567 2.180 ( -1.321 -2.345 -2.058) 3.388 2.280 ( 0.717 -2.495 -2.245) 3.433 2.392 ( -4.603 0.837 -0.213) 4.684 2.534 ( 0.907 -1.835 0.106) 2.050 2.616 ( 0.034 -4.676 0.116) 4.677 2.741 ( 0.039 -3.764 1.011) 3.898 2.871 ( -3.309 -2.696 0.503) 4.298 2.901 ( 0.201 5.250 -0.663) 5.296 3.197 ( 0.786 -3.109 -0.199) 3.213 3.264 ( 3.104 2.589 0.477) 4.070 5.326 ( -2.701 -6.058 -3.671) 7.581 5.368 ( -3.761 -26.747 3.285) 27.209 5.643 ( -4.316 -14.637 1.386) 15.323 5.787 ( -2.439 -8.486 -1.076) 8.895 6.248 ( -2.405 -16.976 -0.538) 17.154 6.597 ( 1.688 -7.648 0.397) 7.842 6.858 ( 2.026 -7.388 1.831) 7.876 7.153 ( 2.703 0.511 -1.746) 3.258 7.315 ( 5.408 -1.630 -1.769) 5.919 7.583 ( 3.477 2.565 1.367) 4.532 7.980 ( -1.743 2.390 -0.386) 2.983 8.318 ( -2.072 2.726 0.200) 3.430 ======================= Grid point 485 (230/242) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.016 3.206 3.452) 4.712 1.036 ( -0.529 -4.641 0.024) 4.671 1.128 ( -1.239 -1.903 1.976) 3.010 1.315 ( 3.288 -4.674 -0.738) 5.762 1.401 ( 2.301 -3.500 -1.219) 4.363 1.510 ( -0.008 -3.477 0.394) 3.500 1.637 ( 4.034 -2.409 5.105) 6.938 1.653 ( -2.488 -3.226 -0.801) 4.152 1.758 ( -1.037 -1.785 -2.331) 3.113 1.781 ( 4.219 -0.769 0.994) 4.402 1.850 ( -0.030 0.641 -1.872) 1.979 1.901 ( -1.290 1.003 -1.116) 1.978 1.964 ( 1.076 2.728 1.331) 3.220 2.031 ( 3.110 -2.420 1.156) 4.107 2.248 ( 1.253 -4.408 -3.591) 5.822 2.309 ( 1.267 0.109 -1.548) 2.004 2.378 ( -2.316 -1.924 0.245) 3.021 2.544 ( -1.110 -0.932 -0.237) 1.468 2.667 ( 0.411 1.887 0.219) 1.943 2.793 ( 1.406 1.106 0.132) 1.794 2.813 ( -1.559 -1.676 0.157) 2.294 2.954 ( -1.866 -4.990 0.385) 5.341 3.224 ( 2.686 1.730 0.091) 3.196 3.254 ( 0.754 -0.979 0.406) 1.301 5.404 ( -2.441 -6.358 -0.909) 6.871 5.731 ( 1.649 -4.861 1.634) 5.387 5.978 ( -3.678 -24.651 1.887) 24.995 6.038 ( -3.277 -15.696 0.103) 16.034 6.595 ( -0.323 -18.213 0.133) 18.216 6.762 ( 1.928 -8.096 0.515) 8.339 7.029 ( 0.789 -8.174 1.020) 8.275 7.165 ( 2.320 -0.684 -1.645) 2.925 7.394 ( 4.541 -3.847 -1.164) 6.065 7.561 ( 2.539 1.465 0.724) 3.020 7.930 ( -2.606 1.156 -0.268) 2.864 8.251 ( -1.745 2.932 0.163) 3.416 ======================= Grid point 486 (231/242) ======================= q-point: ( 0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -0.531 1.083 1.563) 1.974 1.092 ( -1.396 -1.291 1.448) 2.390 1.162 ( -0.339 -1.761 0.716) 1.931 1.432 ( 4.182 -4.003 -0.926) 5.863 1.465 ( 1.151 -2.635 0.912) 3.017 1.540 ( -0.589 0.457 -1.119) 1.345 1.671 ( -1.681 -0.620 0.693) 1.921 1.704 ( 1.490 -1.900 1.317) 2.750 1.779 ( 1.083 -1.254 -0.063) 1.658 1.804 ( 3.087 1.254 0.347) 3.350 1.870 ( -0.404 -1.819 -2.110) 2.815 1.885 ( -1.446 -1.851 0.205) 2.358 1.957 ( 0.499 -1.601 0.970) 1.937 2.056 ( -1.662 0.264 1.096) 2.009 2.262 ( 2.060 3.487 -2.242) 4.630 2.292 ( -1.187 0.648 -0.105) 1.357 2.449 ( 2.432 -3.414 0.203) 4.197 2.563 ( 0.300 3.467 -0.537) 3.521 2.605 ( -1.938 -2.580 -0.352) 3.246 2.772 ( 1.633 2.069 0.090) 2.638 2.864 ( -2.242 -3.555 -0.101) 4.205 3.040 ( -0.597 -4.117 0.191) 4.165 3.206 ( 1.566 1.177 0.333) 1.987 3.264 ( 0.532 0.530 0.135) 0.763 5.533 ( -0.924 -7.313 0.087) 7.372 5.777 ( 0.129 -0.301 0.578) 0.664 6.300 ( -1.246 -12.063 1.062) 12.174 6.406 ( -1.324 -17.737 0.836) 17.806 6.921 ( 0.963 -13.010 0.258) 13.048 6.940 ( 0.979 -9.986 0.515) 10.047 7.169 ( 0.176 -5.131 -0.945) 5.220 7.188 ( 1.174 -0.797 0.082) 1.421 7.495 ( 2.406 -4.345 -0.529) 4.995 7.549 ( 1.765 1.387 0.335) 2.270 7.917 ( -2.355 -1.445 -0.065) 2.764 8.188 ( -0.882 2.809 0.067) 2.945 ======================= Grid point 487 (232/242) ======================= q-point: ( 0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -0.380 -3.293 0.099) 3.316 1.081 ( -0.551 2.020 0.855) 2.262 1.195 ( -0.287 -1.572 0.167) 1.607 1.448 ( 1.389 3.197 -0.408) 3.510 1.484 ( 0.567 0.954 0.162) 1.121 1.579 ( 0.189 -3.492 -0.092) 3.498 1.683 ( -0.591 -1.520 0.370) 1.672 1.739 ( 1.466 2.140 0.116) 2.597 1.764 ( -0.819 -2.186 -0.645) 2.422 1.832 ( 0.385 -1.674 1.025) 2.000 1.893 ( 0.387 -0.931 -0.698) 1.226 1.910 ( -0.160 0.076 0.038) 0.181 2.008 ( 2.177 -0.828 -1.458) 2.748 2.028 ( -2.857 1.008 2.163) 3.722 2.225 ( 1.873 1.363 -1.698) 2.872 2.245 ( -2.892 0.568 1.311) 3.225 2.447 ( 1.741 4.529 -0.534) 4.881 2.528 ( -0.102 -0.258 0.016) 0.278 2.630 ( 0.366 1.155 0.364) 1.266 2.786 ( 0.429 -3.649 -0.583) 3.720 2.919 ( -1.573 -2.925 0.057) 3.322 3.104 ( 0.017 -2.350 0.114) 2.353 3.193 ( 0.601 0.827 0.104) 1.028 3.240 ( 0.142 2.050 0.034) 2.055 5.665 ( -0.080 -5.953 0.166) 5.955 5.764 ( -0.249 1.443 0.109) 1.468 6.489 ( -0.081 -7.107 0.290) 7.113 6.644 ( -0.382 -6.826 0.293) 6.843 7.108 ( 1.721 -6.633 1.389) 6.992 7.134 ( -1.654 -5.380 -0.847) 5.692 7.202 ( 2.466 -2.188 -0.874) 3.410 7.233 ( -1.481 -1.304 0.304) 1.997 7.514 ( 0.710 2.689 -0.001) 2.781 7.578 ( 0.443 -2.930 -0.015) 2.963 7.964 ( -0.870 -3.986 0.021) 4.080 8.132 ( -0.138 2.579 -0.006) 2.582 ======================= Grid point 488 (233/242) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 -6.418 0.000) 6.418 1.018 ( -0.000 4.102 0.000) 4.102 1.219 ( 0.000 -0.954 0.000) 0.954 1.375 ( 0.000 3.703 0.000) 3.703 1.468 ( 0.000 1.129 0.000) 1.129 1.556 ( -0.000 6.107 0.000) 6.107 1.676 ( 0.000 -0.068 0.000) 0.068 1.773 ( 0.000 -2.737 0.000) 2.737 1.805 ( 0.000 0.322 -0.000) 0.322 1.836 ( 0.000 4.062 0.000) 4.062 1.871 ( -0.000 -2.789 0.000) 2.789 1.942 ( -0.000 -2.508 0.000) 2.508 1.997 ( 0.000 0.525 0.000) 0.525 2.031 ( 0.000 -1.013 -0.000) 1.013 2.150 ( 0.000 4.059 0.000) 4.059 2.295 ( 0.000 -1.573 0.000) 1.573 2.398 ( 0.000 -0.868 0.000) 0.868 2.468 ( 0.000 5.059 0.000) 5.059 2.636 ( 0.000 -1.032 0.000) 1.032 2.858 ( 0.000 -2.704 -0.000) 2.704 2.958 ( -0.000 -1.352 0.000) 1.352 3.132 ( 0.000 -0.564 0.000) 0.564 3.180 ( 0.000 0.532 0.000) 0.532 3.189 ( -0.000 3.046 0.000) 3.046 5.724 ( 0.000 2.492 0.000) 2.492 5.756 ( 0.000 -3.014 0.000) 3.014 6.577 ( 0.000 -1.846 0.000) 1.846 6.693 ( 0.000 1.161 0.000) 1.161 7.095 ( -0.000 4.190 0.000) 4.190 7.176 ( 0.000 4.151 0.000) 4.151 7.255 ( -0.000 -3.349 0.000) 3.349 7.276 ( -0.000 -1.482 0.000) 1.482 7.454 ( 0.000 3.334 0.000) 3.334 7.608 ( 0.000 0.141 0.000) 0.141 8.051 ( 0.000 -4.765 0.000) 4.765 8.085 ( 0.000 2.202 0.000) 2.202 ======================= Grid point 496 (234/242) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 1.578 0.000 -8.692) 8.834 0.854 ( -2.080 -0.000 -12.726) 12.895 1.066 ( -0.092 -0.000 0.722) 0.728 1.081 ( -4.222 -0.000 -2.088) 4.710 1.214 ( -2.431 -0.000 -0.345) 2.456 1.246 ( -0.863 -0.000 3.962) 4.055 1.462 ( 4.076 0.000 6.303) 7.506 1.537 ( 2.041 0.000 -3.877) 4.381 1.631 ( 1.612 0.000 1.678) 2.327 1.671 ( 11.333 0.000 -5.595) 12.639 1.790 ( 2.236 0.000 -1.007) 2.452 1.977 ( 2.717 0.000 3.587) 4.500 2.074 ( 0.169 0.000 2.494) 2.500 2.127 ( 0.541 0.000 1.983) 2.055 2.162 ( 1.974 0.000 -3.178) 3.741 2.266 ( 3.779 0.000 0.259) 3.788 2.291 ( 2.378 0.000 -0.511) 2.433 2.398 ( -2.969 -0.000 -0.219) 2.977 2.551 ( -4.936 -0.000 1.236) 5.088 2.689 ( -1.010 -0.000 0.129) 1.018 2.881 ( -5.542 -0.000 0.027) 5.542 3.039 ( -0.023 -0.000 0.090) 0.092 3.089 ( 2.023 0.000 -0.558) 2.098 3.332 ( 3.070 0.000 0.100) 3.072 4.426 ( 2.133 0.000 -1.884) 2.845 5.154 ( -4.542 -0.000 -0.349) 4.555 5.356 ( -12.207 -0.000 -7.824) 14.499 5.741 ( -2.295 -0.000 -2.050) 3.077 5.778 ( -0.693 -0.000 0.228) 0.730 6.391 ( 2.949 0.000 0.149) 2.953 6.714 ( 1.593 0.000 2.489) 2.955 7.169 ( -1.926 -0.000 -1.680) 2.556 7.330 ( 8.328 0.000 -0.811) 8.368 7.661 ( 1.117 0.000 2.178) 2.448 8.059 ( 0.929 0.000 0.244) 0.961 8.384 ( -1.705 -0.000 0.194) 1.716 ======================= Grid point 497 (235/242) ======================= q-point: ( 0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 3.198 -5.934 -1.892) 7.001 0.877 ( -1.806 -6.569 -10.092) 12.176 1.023 ( -0.742 1.502 1.143) 2.028 1.157 ( -2.791 -6.976 -1.775) 7.720 1.238 ( -0.976 -2.462 1.107) 2.870 1.306 ( -0.170 -6.169 2.001) 6.488 1.486 ( 1.228 1.061 -0.331) 1.656 1.540 ( 2.401 -1.757 2.970) 4.204 1.649 ( 2.448 -0.898 0.155) 2.612 1.739 ( 2.848 -2.495 -3.396) 5.086 1.828 ( 8.418 -1.526 -1.336) 8.659 1.989 ( 1.435 1.848 2.451) 3.388 2.014 ( 0.845 2.864 1.284) 3.250 2.124 ( 0.080 1.260 -0.223) 1.282 2.173 ( 4.145 0.416 1.646) 4.479 2.237 ( -0.577 2.025 -3.425) 4.021 2.375 ( -2.772 -3.951 -0.672) 4.873 2.479 ( -1.219 -1.968 -0.016) 2.316 2.498 ( -1.344 -4.826 1.068) 5.122 2.685 ( -0.104 -1.095 0.452) 1.189 2.839 ( -3.846 0.840 0.007) 3.937 3.009 ( 0.946 4.543 -0.442) 4.661 3.123 ( 0.251 -3.790 -0.127) 3.800 3.327 ( 2.670 1.880 0.172) 3.270 4.752 ( -1.110 -27.855 0.299) 27.878 5.253 ( -3.272 -4.749 -2.831) 6.424 5.315 ( -7.093 -10.072 -1.777) 12.447 5.702 ( -1.316 -0.821 -0.673) 1.691 5.937 ( -1.752 -12.549 -0.719) 12.691 6.467 ( 1.791 -5.795 0.097) 6.066 6.763 ( 1.738 -3.660 2.028) 4.531 7.153 ( -1.759 0.033 -1.790) 2.510 7.357 ( 9.031 1.283 -1.080) 9.186 7.642 ( -0.882 2.025 1.735) 2.809 8.033 ( 0.940 2.905 -0.063) 3.054 8.355 ( -1.772 1.906 0.172) 2.609 ======================= Grid point 498 (236/242) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 1.961 -0.074 3.916) 4.380 0.937 ( -1.505 -3.363 -5.672) 6.763 1.066 ( -0.293 -4.158 1.414) 4.402 1.254 ( 2.539 -3.384 -0.714) 4.291 1.310 ( -2.062 -5.647 -0.182) 6.014 1.449 ( 1.423 -3.265 1.695) 3.944 1.518 ( -1.850 -7.874 -2.076) 8.350 1.620 ( 2.872 -3.051 4.667) 6.272 1.698 ( 1.774 -2.786 -0.980) 3.445 1.771 ( -1.470 -1.523 -1.374) 2.523 1.863 ( 2.830 1.999 -1.629) 3.828 1.938 ( 0.019 2.205 0.445) 2.249 2.029 ( 5.243 0.836 1.295) 5.465 2.081 ( 4.291 4.570 1.058) 6.357 2.153 ( -0.982 -2.825 -2.955) 4.205 2.273 ( -0.396 -3.392 -0.907) 3.534 2.339 ( -5.117 0.099 -0.190) 5.122 2.527 ( -1.088 -0.534 -0.257) 1.239 2.628 ( 1.328 -5.973 0.317) 6.127 2.751 ( 1.230 -3.888 0.423) 4.099 2.837 ( -3.182 -2.205 0.386) 3.891 2.902 ( 0.404 4.990 -0.356) 5.019 3.203 ( 0.493 -3.552 -0.075) 3.586 3.293 ( 1.871 2.739 0.242) 3.326 5.281 ( -2.773 -4.136 -1.989) 5.362 5.354 ( -1.185 -31.459 1.392) 31.512 5.614 ( -2.189 -15.686 1.084) 15.875 5.763 ( -1.365 -7.008 -0.619) 7.166 6.229 ( -1.017 -17.678 -0.212) 17.709 6.613 ( 1.091 -7.817 0.217) 7.896 6.883 ( 1.250 -7.000 1.273) 7.224 7.149 ( -0.783 -0.840 -1.536) 1.917 7.386 ( 7.602 -0.170 -1.019) 7.672 7.599 ( -1.233 1.735 1.066) 2.381 7.969 ( -0.161 3.447 -0.262) 3.461 8.299 ( -1.538 2.733 0.138) 3.139 ======================= Grid point 499 (237/242) ======================= q-point: ( 0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.428 4.020 1.527) 4.321 1.021 ( -1.153 -5.062 -0.496) 5.215 1.128 ( -0.136 -2.041 0.754) 2.180 1.347 ( 2.483 -5.098 0.034) 5.671 1.407 ( -0.253 -4.216 -0.518) 4.256 1.512 ( 0.077 -2.997 0.044) 2.999 1.634 ( -0.698 -3.339 -0.027) 3.411 1.689 ( 1.479 -1.263 2.451) 3.129 1.750 ( 1.137 -1.965 -0.102) 2.273 1.803 ( -0.790 -3.072 -1.412) 3.472 1.836 ( 0.256 0.207 -0.500) 0.599 1.887 ( -0.616 2.671 -0.571) 2.800 1.974 ( 0.378 3.295 0.307) 3.331 2.067 ( 1.578 0.642 1.191) 2.078 2.248 ( 1.064 -4.883 -1.622) 5.254 2.316 ( 0.802 0.551 -0.890) 1.319 2.358 ( -1.522 -4.703 0.356) 4.956 2.529 ( -1.085 -1.295 -0.105) 1.692 2.672 ( 0.305 3.223 0.091) 3.239 2.798 ( -0.503 -0.065 0.093) 0.515 2.811 ( 0.786 -0.604 -0.020) 0.991 2.940 ( -0.875 -5.353 0.176) 5.427 3.246 ( 1.471 1.848 -0.154) 2.367 3.259 ( -0.194 -1.063 0.329) 1.130 5.383 ( -0.952 -7.067 -0.355) 7.139 5.752 ( 0.992 -3.099 0.661) 3.321 5.952 ( -1.847 -26.967 0.474) 27.034 6.017 ( -0.978 -15.861 0.209) 15.893 6.594 ( -0.083 -18.702 0.075) 18.702 6.778 ( 0.771 -8.293 0.195) 8.331 7.038 ( 0.269 -7.572 0.409) 7.588 7.170 ( 0.232 -1.531 -0.731) 1.713 7.439 ( 3.367 -2.350 -0.455) 4.131 7.573 ( -0.255 0.655 0.371) 0.795 7.910 ( -0.859 1.774 -0.119) 1.975 8.238 ( -0.753 2.764 0.066) 2.866 ======================= Grid point 500 (238/242) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.000 1.473 0.000) 1.473 1.087 ( -0.000 -1.575 0.000) 1.575 1.162 ( -0.000 -1.664 0.000) 1.664 1.460 ( 0.000 -1.373 0.000) 1.373 1.470 ( -0.000 -6.252 0.000) 6.252 1.532 ( 0.000 1.562 -0.000) 1.562 1.663 ( -0.000 -0.609 0.000) 0.609 1.711 ( 0.000 -1.603 0.000) 1.603 1.792 ( 0.000 -1.133 -0.000) 1.133 1.825 ( -0.000 2.687 0.000) 2.687 1.852 ( -0.000 -2.093 0.000) 2.093 1.882 ( -0.000 -3.365 -0.000) 3.365 1.961 ( 0.000 -2.149 0.000) 2.149 2.050 ( -0.000 1.346 0.000) 1.346 2.270 ( -0.000 3.461 0.000) 3.461 2.285 ( 0.000 1.232 -0.000) 1.232 2.464 ( -0.000 -5.054 -0.000) 5.054 2.562 ( 0.000 6.167 0.000) 6.167 2.593 ( -0.000 -4.786 0.000) 4.786 2.783 ( -0.000 2.573 0.000) 2.573 2.850 ( 0.000 -3.504 0.000) 3.504 3.037 ( -0.000 -4.338 0.000) 4.338 3.215 ( -0.000 1.320 0.000) 1.320 3.267 ( 0.000 0.532 0.000) 0.532 5.529 ( -0.000 -7.601 0.000) 7.601 5.779 ( -0.000 -0.013 0.000) 0.013 6.296 ( -0.000 -12.287 0.000) 12.287 6.401 ( -0.000 -18.037 0.000) 18.037 6.927 ( -0.000 -14.437 0.000) 14.437 6.947 ( -0.000 -8.619 0.000) 8.619 7.167 ( -0.000 -5.148 0.000) 5.148 7.194 ( -0.000 -0.592 0.000) 0.592 7.509 ( -0.000 -3.805 0.000) 3.805 7.558 ( 0.000 1.352 0.000) 1.352 7.903 ( -0.000 -1.506 0.000) 1.506 8.183 ( -0.000 2.646 0.000) 2.646 ======================= Grid point 510 (239/242) ======================= q-point: ( 0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 1.565 0.000 -4.729) 4.981 0.797 ( -0.319 -0.000 -7.364) 7.371 1.037 ( -2.667 -0.000 -1.082) 2.878 1.047 ( -2.292 -0.000 -0.717) 2.401 1.192 ( -1.411 -0.000 -0.288) 1.440 1.263 ( 0.563 0.000 2.838) 2.894 1.520 ( 2.451 0.000 3.793) 4.516 1.537 ( 0.854 0.000 -2.030) 2.202 1.648 ( 0.649 0.000 0.643) 0.914 1.734 ( 3.500 0.000 -2.323) 4.200 1.833 ( 5.886 0.000 -1.154) 5.998 2.025 ( 4.289 0.000 2.138) 4.792 2.085 ( 0.169 0.000 1.540) 1.549 2.129 ( -1.862 -0.000 1.473) 2.374 2.168 ( 1.340 0.000 -2.068) 2.464 2.293 ( 1.107 0.000 -1.132) 1.583 2.304 ( 0.898 0.000 -0.389) 0.979 2.371 ( -1.982 -0.000 -0.022) 1.983 2.512 ( -2.720 -0.000 0.968) 2.887 2.678 ( -1.061 -0.000 0.191) 1.078 2.832 ( -3.396 -0.000 -0.137) 3.399 3.039 ( -0.005 -0.000 0.053) 0.053 3.105 ( 1.187 0.000 -0.229) 1.209 3.359 ( 1.854 0.000 0.074) 1.855 4.437 ( 1.229 0.000 -1.191) 1.711 5.114 ( -2.576 -0.000 -0.059) 2.577 5.230 ( -6.201 -0.000 -4.310) 7.552 5.715 ( -1.253 -0.000 -1.091) 1.662 5.774 ( -0.316 -0.000 0.115) 0.337 6.415 ( 1.566 0.000 0.062) 1.567 6.739 ( 1.212 0.000 1.588) 1.998 7.140 ( -1.755 -0.000 -1.350) 2.214 7.416 ( 7.838 0.000 -0.882) 7.888 7.654 ( -3.321 -0.000 1.530) 3.656 8.075 ( 1.618 0.000 0.243) 1.636 8.368 ( -1.289 -0.000 0.135) 1.296 ======================= Grid point 511 (240/242) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 2.260 -7.963 2.156) 8.554 0.821 ( -1.532 -5.423 -6.437) 8.555 1.023 ( 0.085 0.113 0.536) 0.555 1.121 ( -1.946 -8.027 -1.112) 8.334 1.234 ( -0.341 -3.019 0.291) 3.052 1.315 ( 0.166 -5.954 1.068) 6.051 1.488 ( 0.271 2.566 -0.721) 2.679 1.578 ( 1.548 -2.712 2.127) 3.779 1.660 ( 0.143 -1.283 -0.292) 1.324 1.744 ( 0.464 -0.308 -0.941) 1.093 1.910 ( 5.971 -2.997 -0.775) 6.725 1.984 ( -1.939 5.188 0.603) 5.571 2.056 ( 4.710 -0.299 0.311) 4.730 2.107 ( -3.497 -0.092 1.119) 3.672 2.211 ( -1.013 5.654 -0.728) 5.790 2.239 ( 6.661 -0.381 -0.782) 6.718 2.315 ( -6.932 -1.214 -0.313) 7.045 2.472 ( -0.222 -5.374 -0.182) 5.381 2.503 ( 0.515 -4.022 0.559) 4.093 2.686 ( -0.072 -1.957 0.209) 1.970 2.808 ( -1.660 0.500 -0.036) 1.734 3.015 ( 0.406 4.680 -0.143) 4.700 3.125 ( 0.125 -3.671 -0.032) 3.674 3.348 ( 1.002 1.825 0.058) 2.082 4.744 ( -0.429 -27.048 0.024) 27.051 5.209 ( -1.914 -1.615 -1.927) 3.160 5.271 ( -1.699 -14.998 0.320) 15.098 5.691 ( -0.478 -0.925 -0.274) 1.077 5.923 ( -0.509 -12.239 -0.205) 12.251 6.481 ( 0.643 -5.567 0.032) 5.604 6.784 ( 0.745 -3.720 0.832) 3.884 7.130 ( -0.933 -0.161 -0.800) 1.240 7.436 ( 5.320 1.176 -0.669) 5.489 7.622 ( -2.667 1.505 0.884) 3.187 8.045 ( 0.828 3.469 -0.002) 3.566 8.341 ( -0.800 2.009 0.072) 2.164 ======================= Grid point 512 (241/242) ======================= q-point: ( 0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.000 2.121 -0.000) 2.121 0.900 ( 0.000 -5.997 0.000) 5.997 1.072 ( 0.000 -3.787 -0.000) 3.787 1.279 ( 0.000 -2.526 0.000) 2.526 1.283 ( -0.000 -7.910 0.000) 7.910 1.465 ( 0.000 -0.865 -0.000) 0.865 1.500 ( -0.000 -9.992 -0.000) 9.992 1.650 ( -0.000 -3.353 0.000) 3.353 1.705 ( 0.000 -2.893 -0.000) 2.893 1.755 ( -0.000 -1.122 0.000) 1.122 1.876 ( -0.000 3.891 0.000) 3.891 1.938 ( -0.000 2.163 0.000) 2.163 2.062 ( -0.000 4.153 0.000) 4.153 2.108 ( -0.000 3.032 0.000) 3.032 2.145 ( 0.000 -5.205 0.000) 5.205 2.271 ( 0.000 -2.167 0.000) 2.167 2.300 ( -0.000 -1.540 0.000) 1.540 2.520 ( -0.000 -0.272 0.000) 0.272 2.636 ( -0.000 -5.880 0.000) 5.880 2.762 ( 0.000 -4.441 0.000) 4.441 2.817 ( -0.000 -1.874 0.000) 1.874 2.904 ( -0.000 5.059 0.000) 5.059 3.206 ( -0.000 -3.691 -0.000) 3.691 3.303 ( -0.000 2.785 0.000) 2.785 5.260 ( -0.000 -4.729 0.000) 4.729 5.351 ( -0.000 -32.085 0.000) 32.085 5.605 ( -0.000 -15.791 0.000) 15.791 5.754 ( -0.000 -6.542 0.000) 6.542 6.223 ( -0.000 -17.892 0.000) 17.892 6.620 ( -0.000 -7.900 -0.000) 7.900 6.893 ( 0.000 -6.823 0.000) 6.823 7.139 ( -0.000 -1.180 0.000) 1.180 7.432 ( -0.000 0.317 0.000) 0.317 7.587 ( 0.000 1.170 0.000) 1.170 7.968 ( 0.000 3.949 0.000) 3.949 8.290 ( -0.000 2.727 0.000) 2.727 ======================= Grid point 525 (242/242) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.000 -0.000 0.000) 0.000 0.779 ( 0.000 0.000 0.000) 0.000 1.019 ( -0.000 -0.000 0.000) 0.000 1.031 ( -0.000 -0.000 0.000) 0.000 1.183 ( -0.000 -0.000 0.000) 0.000 1.273 ( -0.000 -0.000 0.000) 0.000 1.537 ( -0.000 -0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.653 ( -0.000 -0.000 -0.000) 0.000 1.745 ( -0.000 -0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.087 ( -0.000 -0.000 -0.000) 0.000 2.107 ( -0.000 -0.000 0.000) 0.000 2.171 ( -0.000 -0.000 0.000) 0.000 2.289 ( -0.000 -0.000 0.000) 0.000 2.310 ( -0.000 -0.000 0.000) 0.000 2.360 ( -0.000 -0.000 0.000) 0.000 2.502 ( -0.000 -0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.813 ( -0.000 -0.000 0.000) 0.000 3.039 ( -0.000 -0.000 0.000) 0.000 3.111 ( -0.000 -0.000 0.000) 0.000 3.369 ( -0.000 -0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 5.100 ( -0.000 -0.000 0.000) 0.000 5.188 ( -0.000 -0.000 0.000) 0.000 5.706 ( -0.000 -0.000 0.000) 0.000 5.772 ( -0.000 -0.000 0.000) 0.000 6.424 ( -0.000 -0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.126 ( -0.000 -0.000 0.000) 0.000 7.463 ( -0.000 -0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 8.086 ( -0.000 -0.000 0.000) 0.000 8.361 ( -0.000 -0.000 0.000) 0.000 =================== 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 3/31104 10.0 52.141 24.138 42.634 0.000 12.038 0.000 3/31104 20.0 7.864 5.478 6.373 0.000 1.529 0.000 3/31104 30.0 3.719 2.918 2.915 0.000 0.673 0.000 3/31104 40.0 2.436 2.039 1.867 0.000 0.423 0.000 3/31104 50.0 1.826 1.610 1.378 0.000 0.309 0.000 3/31104 60.0 1.470 1.358 1.096 0.000 0.243 0.000 3/31104 70.0 1.235 1.190 0.912 0.000 0.200 0.000 3/31104 80.0 1.067 1.066 0.782 0.000 0.170 0.000 3/31104 90.0 0.941 0.969 0.685 0.000 0.148 0.000 3/31104 100.0 0.843 0.890 0.610 0.000 0.131 0.000 3/31104 110.0 0.764 0.824 0.550 0.000 0.117 0.000 3/31104 120.0 0.699 0.767 0.501 0.000 0.106 0.000 3/31104 130.0 0.645 0.717 0.461 0.000 0.097 0.000 3/31104 140.0 0.598 0.673 0.426 0.000 0.090 0.000 3/31104 150.0 0.558 0.634 0.396 0.000 0.083 0.000 3/31104 160.0 0.523 0.600 0.371 0.000 0.077 0.000 3/31104 170.0 0.492 0.568 0.348 0.000 0.073 0.000 3/31104 180.0 0.465 0.540 0.328 0.000 0.068 0.000 3/31104 190.0 0.441 0.514 0.311 0.000 0.064 0.000 3/31104 200.0 0.419 0.491 0.295 0.000 0.061 0.000 3/31104 210.0 0.399 0.470 0.280 0.000 0.058 0.000 3/31104 220.0 0.381 0.450 0.267 0.000 0.055 0.000 3/31104 230.0 0.364 0.432 0.255 0.000 0.053 0.000 3/31104 240.0 0.349 0.415 0.245 0.000 0.050 0.000 3/31104 250.0 0.335 0.399 0.235 0.000 0.048 0.000 3/31104 260.0 0.322 0.385 0.226 0.000 0.046 0.000 3/31104 270.0 0.310 0.372 0.217 0.000 0.045 0.000 3/31104 280.0 0.299 0.359 0.209 0.000 0.043 0.000 3/31104 290.0 0.289 0.347 0.202 0.000 0.041 0.000 3/31104 300.0 0.279 0.336 0.195 0.000 0.040 0.000 3/31104 310.0 0.270 0.326 0.189 0.000 0.039 0.000 3/31104 320.0 0.262 0.316 0.183 0.000 0.037 0.000 3/31104 330.0 0.254 0.307 0.177 0.000 0.036 0.000 3/31104 340.0 0.247 0.298 0.172 0.000 0.035 0.000 3/31104 350.0 0.240 0.290 0.167 0.000 0.034 0.000 3/31104 360.0 0.233 0.282 0.162 0.000 0.033 0.000 3/31104 370.0 0.227 0.275 0.158 0.000 0.032 0.000 3/31104 380.0 0.221 0.268 0.154 0.000 0.031 0.000 3/31104 390.0 0.215 0.261 0.150 0.000 0.031 0.000 3/31104 400.0 0.210 0.255 0.146 0.000 0.030 0.000 3/31104 410.0 0.205 0.249 0.142 0.000 0.029 0.000 3/31104 420.0 0.200 0.243 0.139 0.000 0.028 0.000 3/31104 430.0 0.195 0.237 0.136 0.000 0.028 0.000 3/31104 440.0 0.191 0.232 0.133 0.000 0.027 0.000 3/31104 450.0 0.186 0.227 0.130 0.000 0.026 0.000 3/31104 460.0 0.182 0.222 0.127 0.000 0.026 0.000 3/31104 470.0 0.179 0.218 0.124 0.000 0.025 0.000 3/31104 480.0 0.175 0.213 0.122 0.000 0.025 0.000 3/31104 490.0 0.171 0.209 0.119 0.000 0.024 0.000 3/31104 500.0 0.168 0.205 0.117 0.000 0.024 0.000 3/31104 510.0 0.165 0.201 0.114 0.000 0.023 0.000 3/31104 520.0 0.161 0.197 0.112 0.000 0.023 0.000 3/31104 530.0 0.158 0.193 0.110 0.000 0.022 0.000 3/31104 540.0 0.155 0.190 0.108 0.000 0.022 0.000 3/31104 550.0 0.153 0.186 0.106 0.000 0.022 0.000 3/31104 560.0 0.150 0.183 0.104 0.000 0.021 0.000 3/31104 570.0 0.147 0.180 0.102 0.000 0.021 0.000 3/31104 580.0 0.145 0.177 0.101 0.000 0.020 0.000 3/31104 590.0 0.142 0.174 0.099 0.000 0.020 0.000 3/31104 600.0 0.140 0.171 0.097 0.000 0.020 0.000 3/31104 610.0 0.138 0.168 0.096 0.000 0.019 0.000 3/31104 620.0 0.135 0.166 0.094 0.000 0.019 0.000 3/31104 630.0 0.133 0.163 0.093 0.000 0.019 0.000 3/31104 640.0 0.131 0.161 0.091 0.000 0.019 0.000 3/31104 650.0 0.129 0.158 0.090 0.000 0.018 0.000 3/31104 660.0 0.127 0.156 0.088 0.000 0.018 0.000 3/31104 670.0 0.125 0.153 0.087 0.000 0.018 0.000 3/31104 680.0 0.124 0.151 0.086 0.000 0.017 0.000 3/31104 690.0 0.122 0.149 0.085 0.000 0.017 0.000 3/31104 700.0 0.120 0.147 0.083 0.000 0.017 0.000 3/31104 710.0 0.118 0.145 0.082 0.000 0.017 0.000 3/31104 720.0 0.117 0.143 0.081 0.000 0.016 0.000 3/31104 730.0 0.115 0.141 0.080 0.000 0.016 0.000 3/31104 740.0 0.114 0.139 0.079 0.000 0.016 0.000 3/31104 750.0 0.112 0.137 0.078 0.000 0.016 0.000 3/31104 760.0 0.111 0.135 0.077 0.000 0.016 0.000 3/31104 770.0 0.109 0.134 0.076 0.000 0.015 0.000 3/31104 780.0 0.108 0.132 0.075 0.000 0.015 0.000 3/31104 790.0 0.106 0.130 0.074 0.000 0.015 0.000 3/31104 800.0 0.105 0.129 0.073 0.000 0.015 0.000 3/31104 810.0 0.104 0.127 0.072 0.000 0.015 0.000 3/31104 820.0 0.102 0.126 0.071 0.000 0.014 0.000 3/31104 830.0 0.101 0.124 0.070 0.000 0.014 0.000 3/31104 840.0 0.100 0.123 0.069 0.000 0.014 0.000 3/31104 850.0 0.099 0.121 0.069 0.000 0.014 0.000 3/31104 860.0 0.098 0.120 0.068 0.000 0.014 0.000 3/31104 870.0 0.097 0.118 0.067 0.000 0.014 0.000 3/31104 880.0 0.095 0.117 0.066 0.000 0.013 0.000 3/31104 890.0 0.094 0.116 0.066 0.000 0.013 0.000 3/31104 900.0 0.093 0.115 0.065 0.000 0.013 0.000 3/31104 910.0 0.092 0.113 0.064 0.000 0.013 0.000 3/31104 920.0 0.091 0.112 0.063 0.000 0.013 0.000 3/31104 930.0 0.090 0.111 0.063 0.000 0.013 0.000 3/31104 940.0 0.089 0.110 0.062 0.000 0.013 0.000 3/31104 950.0 0.088 0.109 0.061 0.000 0.012 0.000 3/31104 960.0 0.088 0.107 0.061 0.000 0.012 0.000 3/31104 970.0 0.087 0.106 0.060 0.000 0.012 0.000 3/31104 980.0 0.086 0.105 0.059 0.000 0.012 0.000 3/31104 990.0 0.085 0.104 0.059 0.000 0.012 0.000 3/31104 1000.0 0.084 0.103 0.058 0.000 0.012 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m12126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:32:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|