----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:41:04]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.615649615000000 5.246466395000000 3.477816825000000 b 3.615649615000000 -5.246466395000000 3.477816825000000 c 3.615649615000000 5.246466395000000 -3.477816825000000 Atomic positions (fractional): *1 O 0.85088612653486 0.01481605455172 0.45324777758275 15.999 2 O 0.56156827696897 0.39763834895211 0.54675222241725 15.999 3 O 0.64911387346514 0.10236165104789 0.16392992801686 15.999 4 O 0.93843172303103 0.48518394544828 0.83607007198314 15.999 5 O 0.14911387346514 0.98518394544828 0.54675222241725 15.999 6 O 0.43843172303103 0.60236165104789 0.45324777758275 15.999 7 O 0.35088612653486 0.89763834895211 0.83607007198314 15.999 8 O 0.06156827696897 0.51481605455172 0.16392992801686 15.999 *9 O 0.17481210599509 0.00845356637488 0.18326567236998 15.999 10 O 0.82518789400491 0.99154643362512 0.81673432763002 15.999 11 O 0.32518789400491 0.50845356637488 0.83364146037979 15.999 12 O 0.67481210599509 0.49154643362512 0.16635853962021 15.999 *13 O 0.43590881364115 0.87815171702590 0.31406053066705 15.999 14 O 0.56409118635885 0.12184828297410 0.68593946933295 15.999 15 O 0.06409118635885 0.37815171702590 0.44224290338474 15.999 16 O 0.93590881364115 0.62184828297410 0.55775709661526 15.999 *17 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 18 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 *19 Ta 0.76554912927346 0.73434582741892 0.49989495669238 180.948 20 Ta 0.23445087072654 0.26565417258108 0.50010504330762 180.948 21 Ta 0.73445087072654 0.23434582741892 0.96879669814546 180.948 22 Ta 0.26554912927346 0.76565417258108 0.03120330185454 180.948 *23 Ta 0.25000000000000 0.75000000000000 0.50000000000000 180.948 24 Ta 0.75000000000000 0.25000000000000 0.50000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.231299230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.492932789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.955633650000000 Atomic positions (fractional): *1 O 0.30858885279981 0.14465892478295 0.70622720175191 15.999 > 1 2 O 0.19141114720019 0.35534107521705 0.20622720175191 15.999 > 2 3 O 0.80858885279981 0.35534107521705 0.29377279824809 15.999 > 3 4 O 0.69141114720019 0.14465892478295 0.79377279824809 15.999 > 4 5 O 0.19141114720019 0.35534107521705 0.79377279824809 15.999 > 5 6 O 0.30858885279981 0.14465892478295 0.29377279824809 15.999 > 6 7 O 0.69141114720019 0.14465892478295 0.20622720175191 15.999 > 7 8 O 0.80858885279981 0.35534107521705 0.70622720175191 15.999 > 8 *9 O 0.00845356637488 0.17481210599509 0.00000000000000 15.999 > 9 10 O 0.49154643362512 0.32518789400491 0.50000000000000 15.999 > 10 11 O 0.50845356637488 0.32518789400491 0.00000000000000 15.999 > 11 12 O 0.99154643362512 0.17481210599509 0.50000000000000 15.999 > 12 *13 O 0.87815171702590 0.43590881364115 0.00000000000000 15.999 > 13 14 O 0.62184828297410 0.06409118635885 0.50000000000000 15.999 > 14 15 O 0.37815171702590 0.06409118635885 0.00000000000000 15.999 > 15 16 O 0.12184828297410 0.43590881364115 0.50000000000000 15.999 > 16 17 O 0.80858885279981 0.64465892478295 0.20622720175191 15.999 > 1 18 O 0.69141114720019 0.85534107521705 0.70622720175191 15.999 > 2 19 O 0.30858885279981 0.85534107521705 0.79377279824809 15.999 > 3 20 O 0.19141114720019 0.64465892478295 0.29377279824809 15.999 > 4 21 O 0.69141114720019 0.85534107521705 0.29377279824809 15.999 > 5 22 O 0.80858885279981 0.64465892478295 0.79377279824809 15.999 > 6 23 O 0.19141114720019 0.64465892478295 0.70622720175191 15.999 > 7 24 O 0.30858885279981 0.85534107521705 0.20622720175191 15.999 > 8 25 O 0.50845356637488 0.67481210599509 0.50000000000000 15.999 > 9 26 O 0.99154643362512 0.82518789400491 0.00000000000000 15.999 > 10 27 O 0.00845356637488 0.82518789400491 0.50000000000000 15.999 > 11 28 O 0.49154643362512 0.67481210599509 0.00000000000000 15.999 > 12 29 O 0.37815171702590 0.93590881364115 0.50000000000000 15.999 > 13 30 O 0.12184828297410 0.56409118635885 0.00000000000000 15.999 > 14 31 O 0.87815171702590 0.56409118635885 0.50000000000000 15.999 > 15 32 O 0.62184828297410 0.93590881364115 0.00000000000000 15.999 > 16 *33 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 17 34 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 18 35 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 17 36 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 18 *37 Ta 0.23434582741892 0.26554912927346 0.50000000000000 180.948 > 19 38 Ta 0.26565417258108 0.23445087072654 0.00000000000000 180.948 > 20 39 Ta 0.73434582741892 0.23445087072654 0.50000000000000 180.948 > 21 40 Ta 0.76565417258108 0.26554912927346 0.00000000000000 180.948 > 22 *41 Ta 0.50000000000000 0.00000000000000 0.25000000000000 180.948 > 23 42 Ta 0.50000000000000 0.00000000000000 0.75000000000000 180.948 > 24 43 Ta 0.73434582741892 0.76554912927346 0.00000000000000 180.948 > 19 44 Ta 0.76565417258108 0.73445087072654 0.50000000000000 180.948 > 20 45 Ta 0.23434582741892 0.73445087072654 0.00000000000000 180.948 > 21 46 Ta 0.26565417258108 0.76554912927346 0.50000000000000 180.948 > 22 47 Ta 0.00000000000000 0.50000000000000 0.75000000000000 180.948 > 23 48 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.231299230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.492932789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.911267300000000 Atomic positions (fractional): *1 O 0.30858885279981 0.14465892478295 0.35311360087596 15.999 > 1 2 O 0.30858885279981 0.14465892478295 0.85311360087596 15.999 > 1 3 O 0.19141114720019 0.35534107521705 0.10311360087596 15.999 > 2 4 O 0.19141114720019 0.35534107521705 0.60311360087596 15.999 > 2 5 O 0.80858885279981 0.35534107521705 0.14688639912404 15.999 > 3 6 O 0.80858885279981 0.35534107521705 0.64688639912404 15.999 > 3 7 O 0.69141114720019 0.14465892478295 0.39688639912404 15.999 > 4 8 O 0.69141114720019 0.14465892478295 0.89688639912404 15.999 > 4 9 O 0.19141114720019 0.35534107521705 0.39688639912404 15.999 > 5 10 O 0.19141114720019 0.35534107521705 0.89688639912404 15.999 > 5 11 O 0.30858885279981 0.14465892478295 0.14688639912404 15.999 > 6 12 O 0.30858885279981 0.14465892478295 0.64688639912404 15.999 > 6 13 O 0.69141114720019 0.14465892478295 0.10311360087596 15.999 > 7 14 O 0.69141114720019 0.14465892478295 0.60311360087596 15.999 > 7 15 O 0.80858885279981 0.35534107521705 0.35311360087596 15.999 > 8 16 O 0.80858885279981 0.35534107521705 0.85311360087596 15.999 > 8 *17 O 0.00845356637488 0.17481210599509 0.00000000000000 15.999 > 9 18 O 0.00845356637488 0.17481210599509 0.50000000000000 15.999 > 9 19 O 0.49154643362512 0.32518789400491 0.25000000000000 15.999 > 10 20 O 0.49154643362512 0.32518789400491 0.75000000000000 15.999 > 10 21 O 0.50845356637488 0.32518789400491 0.00000000000000 15.999 > 11 22 O 0.50845356637488 0.32518789400491 0.50000000000000 15.999 > 11 23 O 0.99154643362512 0.17481210599509 0.25000000000000 15.999 > 12 24 O 0.99154643362512 0.17481210599509 0.75000000000000 15.999 > 12 *25 O 0.87815171702590 0.43590881364115 0.00000000000000 15.999 > 13 26 O 0.87815171702590 0.43590881364115 0.50000000000000 15.999 > 13 27 O 0.62184828297410 0.06409118635885 0.25000000000000 15.999 > 14 28 O 0.62184828297410 0.06409118635885 0.75000000000000 15.999 > 14 29 O 0.37815171702590 0.06409118635885 0.00000000000000 15.999 > 15 30 O 0.37815171702590 0.06409118635885 0.50000000000000 15.999 > 15 31 O 0.12184828297410 0.43590881364115 0.25000000000000 15.999 > 16 32 O 0.12184828297410 0.43590881364115 0.75000000000000 15.999 > 16 33 O 0.80858885279981 0.64465892478295 0.10311360087596 15.999 > 1 34 O 0.80858885279981 0.64465892478295 0.60311360087596 15.999 > 1 35 O 0.69141114720019 0.85534107521705 0.35311360087596 15.999 > 2 36 O 0.69141114720019 0.85534107521705 0.85311360087596 15.999 > 2 37 O 0.30858885279981 0.85534107521705 0.39688639912404 15.999 > 3 38 O 0.30858885279981 0.85534107521705 0.89688639912404 15.999 > 3 39 O 0.19141114720019 0.64465892478295 0.14688639912404 15.999 > 4 40 O 0.19141114720019 0.64465892478295 0.64688639912404 15.999 > 4 41 O 0.69141114720019 0.85534107521705 0.14688639912404 15.999 > 5 42 O 0.69141114720019 0.85534107521705 0.64688639912404 15.999 > 5 43 O 0.80858885279981 0.64465892478295 0.39688639912404 15.999 > 6 44 O 0.80858885279981 0.64465892478295 0.89688639912404 15.999 > 6 45 O 0.19141114720019 0.64465892478295 0.35311360087596 15.999 > 7 46 O 0.19141114720019 0.64465892478295 0.85311360087596 15.999 > 7 47 O 0.30858885279981 0.85534107521705 0.10311360087596 15.999 > 8 48 O 0.30858885279981 0.85534107521705 0.60311360087596 15.999 > 8 49 O 0.50845356637488 0.67481210599509 0.25000000000000 15.999 > 9 50 O 0.50845356637488 0.67481210599509 0.75000000000000 15.999 > 9 51 O 0.99154643362512 0.82518789400491 0.00000000000000 15.999 > 10 52 O 0.99154643362512 0.82518789400491 0.50000000000000 15.999 > 10 53 O 0.00845356637488 0.82518789400491 0.25000000000000 15.999 > 11 54 O 0.00845356637488 0.82518789400491 0.75000000000000 15.999 > 11 55 O 0.49154643362512 0.67481210599509 0.00000000000000 15.999 > 12 56 O 0.49154643362512 0.67481210599509 0.50000000000000 15.999 > 12 57 O 0.37815171702590 0.93590881364115 0.25000000000000 15.999 > 13 58 O 0.37815171702590 0.93590881364115 0.75000000000000 15.999 > 13 59 O 0.12184828297410 0.56409118635885 0.00000000000000 15.999 > 14 60 O 0.12184828297410 0.56409118635885 0.50000000000000 15.999 > 14 61 O 0.87815171702590 0.56409118635885 0.25000000000000 15.999 > 15 62 O 0.87815171702590 0.56409118635885 0.75000000000000 15.999 > 15 63 O 0.62184828297410 0.93590881364115 0.00000000000000 15.999 > 16 64 O 0.62184828297410 0.93590881364115 0.50000000000000 15.999 > 16 *65 Na 0.00000000000000 0.00000000000000 0.12500000000000 22.990 > 17 66 Na 0.00000000000000 0.00000000000000 0.62500000000000 22.990 > 17 67 Na 0.00000000000000 0.00000000000000 0.37500000000000 22.990 > 18 68 Na 0.00000000000000 0.00000000000000 0.87500000000000 22.990 > 18 69 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 17 70 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 17 71 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 18 72 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 18 *73 Ta 0.23434582741892 0.26554912927346 0.25000000000000 180.948 > 19 74 Ta 0.23434582741892 0.26554912927346 0.75000000000000 180.948 > 19 75 Ta 0.26565417258108 0.23445087072654 0.00000000000000 180.948 > 20 76 Ta 0.26565417258108 0.23445087072654 0.50000000000000 180.948 > 20 77 Ta 0.73434582741892 0.23445087072654 0.25000000000000 180.948 > 21 78 Ta 0.73434582741892 0.23445087072654 0.75000000000000 180.948 > 21 79 Ta 0.76565417258108 0.26554912927346 0.00000000000000 180.948 > 22 80 Ta 0.76565417258108 0.26554912927346 0.50000000000000 180.948 > 22 *81 Ta 0.50000000000000 0.00000000000000 0.12500000000000 180.948 > 23 82 Ta 0.50000000000000 0.00000000000000 0.62500000000000 180.948 > 23 83 Ta 0.50000000000000 0.00000000000000 0.37500000000000 180.948 > 24 84 Ta 0.50000000000000 0.00000000000000 0.87500000000000 180.948 > 24 85 Ta 0.73434582741892 0.76554912927346 0.00000000000000 180.948 > 19 86 Ta 0.73434582741892 0.76554912927346 0.50000000000000 180.948 > 19 87 Ta 0.76565417258108 0.73445087072654 0.25000000000000 180.948 > 20 88 Ta 0.76565417258108 0.73445087072654 0.75000000000000 180.948 > 20 89 Ta 0.23434582741892 0.73445087072654 0.00000000000000 180.948 > 21 90 Ta 0.23434582741892 0.73445087072654 0.50000000000000 180.948 > 21 91 Ta 0.26565417258108 0.76554912927346 0.25000000000000 180.948 > 22 92 Ta 0.26565417258108 0.76554912927346 0.75000000000000 180.948 > 22 93 Ta 0.00000000000000 0.50000000000000 0.37500000000000 180.948 > 23 94 Ta 0.00000000000000 0.50000000000000 0.87500000000000 180.948 > 23 95 Ta 0.00000000000000 0.50000000000000 0.12500000000000 180.948 > 24 96 Ta 0.00000000000000 0.50000000000000 0.62500000000000 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2111746 0.0000000 0.0000000 0.0000000 5.5363473 0.0000000 0.0000000 0.0000000 5.5766206 -------------------------- Born effective charges -------------------------- 1 O -2.3037456 1.2689525 -0.4338187 1.3209018 -3.0438176 0.6954650 -0.4970864 0.8121986 -3.0011212 2 O -2.3037456 1.2689525 0.4338187 1.3209018 -3.0438176 -0.6954650 0.4970864 -0.8121986 -3.0011212 3 O -2.3037456 -1.2689525 0.4338187 -1.3209018 -3.0438176 0.6954650 0.4970864 0.8121986 -3.0011212 4 O -2.3037456 -1.2689525 -0.4338187 -1.3209018 -3.0438176 -0.6954650 -0.4970864 -0.8121986 -3.0011212 5 O -2.3037456 1.2689525 -0.4338187 1.3209018 -3.0438176 0.6954650 -0.4970864 0.8121986 -3.0011212 6 O -2.3037456 1.2689525 0.4338187 1.3209018 -3.0438176 -0.6954650 0.4970864 -0.8121986 -3.0011212 7 O -2.3037456 -1.2689525 0.4338187 -1.3209018 -3.0438176 0.6954650 0.4970864 0.8121986 -3.0011212 8 O -2.3037456 -1.2689525 -0.4338187 -1.3209018 -3.0438176 -0.6954650 -0.4970864 -0.8121986 -3.0011212 9 O -5.8342214 0.5090754 0.0000000 -0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 10 O -5.8342214 0.5090754 0.0000000 -0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 11 O -5.8342214 -0.5090754 0.0000000 0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 12 O -5.8342214 -0.5090754 0.0000000 0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 13 O -1.7621475 -1.1289982 0.0000000 -1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 14 O -1.7621475 -1.1289982 0.0000000 -1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 15 O -1.7621475 1.1289982 0.0000000 1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 16 O -1.7621475 1.1289982 0.0000000 1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 17 Na 1.1752745 0.0000000 0.0000000 0.0000000 1.3879901 0.0000000 0.0000000 0.0000000 1.0328559 18 Na 1.1752745 0.0000000 0.0000000 0.0000000 1.3879901 0.0000000 0.0000000 0.0000000 1.0328559 19 Ta 8.5207133 0.0080333 0.0000000 -1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 20 Ta 8.5207133 0.0080333 0.0000000 -1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 21 Ta 8.5207133 -0.0080333 0.0000000 1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 22 Ta 8.5207133 -0.0080333 0.0000000 1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 23 Ta 6.1910189 0.0000000 0.0000000 0.0000000 7.7605522 0.0000000 0.0000000 0.0000000 6.3066234 24 Ta 6.1910189 0.0000000 0.0000000 0.0000000 7.7605522 0.0000000 0.0000000 0.0000000 6.3066234 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 13104/13104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1430 Number of blocks in projector: 1430 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1430, 1400), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (244, 242), data: True |-- (244, 242), data: True |-- (324, 316), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.563 Solver_block: 200 / 400 - Time: 1.565 Solver_block: 300 / 400 - Time: 1.562 Solver_block: 400 / 400 - Time: 1.561 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.283 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 13104/13104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1430 Number of blocks in projector: 1430 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1430, 1400), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (244, 242), data: True |-- (244, 242), data: True |-- (324, 316), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:41:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:41:25]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.615649615000000 5.246466395000000 3.477816825000000 b 3.615649615000000 -5.246466395000000 3.477816825000000 c 3.615649615000000 5.246466395000000 -3.477816825000000 Atomic positions (fractional): 1 O 0.85088612653486 0.01481605455172 0.45324777758275 15.999 2 O 0.56156827696897 0.39763834895211 0.54675222241725 15.999 3 O 0.64911387346514 0.10236165104789 0.16392992801686 15.999 4 O 0.93843172303103 0.48518394544828 0.83607007198314 15.999 5 O 0.14911387346514 0.98518394544828 0.54675222241725 15.999 6 O 0.43843172303103 0.60236165104789 0.45324777758275 15.999 7 O 0.35088612653486 0.89763834895211 0.83607007198314 15.999 8 O 0.06156827696897 0.51481605455172 0.16392992801686 15.999 9 O 0.17481210599509 0.00845356637488 0.18326567236998 15.999 10 O 0.82518789400491 0.99154643362512 0.81673432763002 15.999 11 O 0.32518789400491 0.50845356637488 0.83364146037979 15.999 12 O 0.67481210599509 0.49154643362512 0.16635853962021 15.999 13 O 0.43590881364115 0.87815171702590 0.31406053066705 15.999 14 O 0.56409118635885 0.12184828297410 0.68593946933295 15.999 15 O 0.06409118635885 0.37815171702590 0.44224290338474 15.999 16 O 0.93590881364115 0.62184828297410 0.55775709661526 15.999 17 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 18 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 19 Ta 0.76554912927346 0.73434582741892 0.49989495669238 180.948 20 Ta 0.23445087072654 0.26565417258108 0.50010504330762 180.948 21 Ta 0.73445087072654 0.23434582741892 0.96879669814546 180.948 22 Ta 0.26554912927346 0.76565417258108 0.03120330185454 180.948 23 Ta 0.25000000000000 0.75000000000000 0.50000000000000 180.948 24 Ta 0.75000000000000 0.25000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.231299230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.492932789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.911267300000000 Atomic positions (fractional): 1 O 0.30858885279981 0.14465892478295 0.35311360087596 15.999 > 1 2 O 0.30858885279981 0.14465892478295 0.85311360087596 15.999 > 1 3 O 0.19141114720019 0.35534107521705 0.10311360087596 15.999 > 3 4 O 0.19141114720019 0.35534107521705 0.60311360087596 15.999 > 3 5 O 0.80858885279981 0.35534107521705 0.14688639912404 15.999 > 5 6 O 0.80858885279981 0.35534107521705 0.64688639912404 15.999 > 5 7 O 0.69141114720019 0.14465892478295 0.39688639912404 15.999 > 7 8 O 0.69141114720019 0.14465892478295 0.89688639912404 15.999 > 7 9 O 0.19141114720019 0.35534107521705 0.39688639912404 15.999 > 9 10 O 0.19141114720019 0.35534107521705 0.89688639912404 15.999 > 9 11 O 0.30858885279981 0.14465892478295 0.14688639912404 15.999 > 11 12 O 0.30858885279981 0.14465892478295 0.64688639912404 15.999 > 11 13 O 0.69141114720019 0.14465892478295 0.10311360087596 15.999 > 13 14 O 0.69141114720019 0.14465892478295 0.60311360087596 15.999 > 13 15 O 0.80858885279981 0.35534107521705 0.35311360087596 15.999 > 15 16 O 0.80858885279981 0.35534107521705 0.85311360087596 15.999 > 15 17 O 0.00845356637488 0.17481210599509 0.00000000000000 15.999 > 17 18 O 0.00845356637488 0.17481210599509 0.50000000000000 15.999 > 17 19 O 0.49154643362512 0.32518789400491 0.25000000000000 15.999 > 19 20 O 0.49154643362512 0.32518789400491 0.75000000000000 15.999 > 19 21 O 0.50845356637488 0.32518789400491 0.00000000000000 15.999 > 21 22 O 0.50845356637488 0.32518789400491 0.50000000000000 15.999 > 21 23 O 0.99154643362512 0.17481210599509 0.25000000000000 15.999 > 23 24 O 0.99154643362512 0.17481210599509 0.75000000000000 15.999 > 23 25 O 0.87815171702590 0.43590881364115 0.00000000000000 15.999 > 25 26 O 0.87815171702590 0.43590881364115 0.50000000000000 15.999 > 25 27 O 0.62184828297410 0.06409118635885 0.25000000000000 15.999 > 27 28 O 0.62184828297410 0.06409118635885 0.75000000000000 15.999 > 27 29 O 0.37815171702590 0.06409118635885 0.00000000000000 15.999 > 29 30 O 0.37815171702590 0.06409118635885 0.50000000000000 15.999 > 29 31 O 0.12184828297410 0.43590881364115 0.25000000000000 15.999 > 31 32 O 0.12184828297410 0.43590881364115 0.75000000000000 15.999 > 31 33 O 0.80858885279981 0.64465892478295 0.10311360087596 15.999 > 1 34 O 0.80858885279981 0.64465892478295 0.60311360087596 15.999 > 1 35 O 0.69141114720019 0.85534107521705 0.35311360087596 15.999 > 3 36 O 0.69141114720019 0.85534107521705 0.85311360087596 15.999 > 3 37 O 0.30858885279981 0.85534107521705 0.39688639912404 15.999 > 5 38 O 0.30858885279981 0.85534107521705 0.89688639912404 15.999 > 5 39 O 0.19141114720019 0.64465892478295 0.14688639912404 15.999 > 7 40 O 0.19141114720019 0.64465892478295 0.64688639912404 15.999 > 7 41 O 0.69141114720019 0.85534107521705 0.14688639912404 15.999 > 9 42 O 0.69141114720019 0.85534107521705 0.64688639912404 15.999 > 9 43 O 0.80858885279981 0.64465892478295 0.39688639912404 15.999 > 11 44 O 0.80858885279981 0.64465892478295 0.89688639912404 15.999 > 11 45 O 0.19141114720019 0.64465892478295 0.35311360087596 15.999 > 13 46 O 0.19141114720019 0.64465892478295 0.85311360087596 15.999 > 13 47 O 0.30858885279981 0.85534107521705 0.10311360087596 15.999 > 15 48 O 0.30858885279981 0.85534107521705 0.60311360087596 15.999 > 15 49 O 0.50845356637488 0.67481210599509 0.25000000000000 15.999 > 17 50 O 0.50845356637488 0.67481210599509 0.75000000000000 15.999 > 17 51 O 0.99154643362512 0.82518789400491 0.00000000000000 15.999 > 19 52 O 0.99154643362512 0.82518789400491 0.50000000000000 15.999 > 19 53 O 0.00845356637488 0.82518789400491 0.25000000000000 15.999 > 21 54 O 0.00845356637488 0.82518789400491 0.75000000000000 15.999 > 21 55 O 0.49154643362512 0.67481210599509 0.00000000000000 15.999 > 23 56 O 0.49154643362512 0.67481210599509 0.50000000000000 15.999 > 23 57 O 0.37815171702590 0.93590881364115 0.25000000000000 15.999 > 25 58 O 0.37815171702590 0.93590881364115 0.75000000000000 15.999 > 25 59 O 0.12184828297410 0.56409118635885 0.00000000000000 15.999 > 27 60 O 0.12184828297410 0.56409118635885 0.50000000000000 15.999 > 27 61 O 0.87815171702590 0.56409118635885 0.25000000000000 15.999 > 29 62 O 0.87815171702590 0.56409118635885 0.75000000000000 15.999 > 29 63 O 0.62184828297410 0.93590881364115 0.00000000000000 15.999 > 31 64 O 0.62184828297410 0.93590881364115 0.50000000000000 15.999 > 31 65 Na 0.00000000000000 0.00000000000000 0.12500000000000 22.990 > 65 66 Na 0.00000000000000 0.00000000000000 0.62500000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.37500000000000 22.990 > 67 68 Na 0.00000000000000 0.00000000000000 0.87500000000000 22.990 > 67 69 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 65 70 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 65 71 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 67 72 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 67 73 Ta 0.23434582741892 0.26554912927346 0.25000000000000 180.948 > 73 74 Ta 0.23434582741892 0.26554912927346 0.75000000000000 180.948 > 73 75 Ta 0.26565417258108 0.23445087072654 0.00000000000000 180.948 > 75 76 Ta 0.26565417258108 0.23445087072654 0.50000000000000 180.948 > 75 77 Ta 0.73434582741892 0.23445087072654 0.25000000000000 180.948 > 77 78 Ta 0.73434582741892 0.23445087072654 0.75000000000000 180.948 > 77 79 Ta 0.76565417258108 0.26554912927346 0.00000000000000 180.948 > 79 80 Ta 0.76565417258108 0.26554912927346 0.50000000000000 180.948 > 79 81 Ta 0.50000000000000 0.00000000000000 0.12500000000000 180.948 > 81 82 Ta 0.50000000000000 0.00000000000000 0.62500000000000 180.948 > 81 83 Ta 0.50000000000000 0.00000000000000 0.37500000000000 180.948 > 83 84 Ta 0.50000000000000 0.00000000000000 0.87500000000000 180.948 > 83 85 Ta 0.73434582741892 0.76554912927346 0.00000000000000 180.948 > 73 86 Ta 0.73434582741892 0.76554912927346 0.50000000000000 180.948 > 73 87 Ta 0.76565417258108 0.73445087072654 0.25000000000000 180.948 > 75 88 Ta 0.76565417258108 0.73445087072654 0.75000000000000 180.948 > 75 89 Ta 0.23434582741892 0.73445087072654 0.00000000000000 180.948 > 77 90 Ta 0.23434582741892 0.73445087072654 0.50000000000000 180.948 > 77 91 Ta 0.26565417258108 0.76554912927346 0.25000000000000 180.948 > 79 92 Ta 0.26565417258108 0.76554912927346 0.75000000000000 180.948 > 79 93 Ta 0.00000000000000 0.50000000000000 0.37500000000000 180.948 > 81 94 Ta 0.00000000000000 0.50000000000000 0.87500000000000 180.948 > 81 95 Ta 0.00000000000000 0.50000000000000 0.12500000000000 180.948 > 83 96 Ta 0.00000000000000 0.50000000000000 0.62500000000000 180.948 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2111746 0.0000000 0.0000000 0.0000000 5.5363473 0.0000000 0.0000000 0.0000000 5.5766206 -------------------------- Born effective charges -------------------------- 1 O -2.3037456 1.2689525 -0.4338187 1.3209018 -3.0438176 0.6954650 -0.4970864 0.8121986 -3.0011212 2 O -2.3037456 1.2689525 0.4338187 1.3209018 -3.0438176 -0.6954650 0.4970864 -0.8121986 -3.0011212 3 O -2.3037456 -1.2689525 0.4338187 -1.3209018 -3.0438176 0.6954650 0.4970864 0.8121986 -3.0011212 4 O -2.3037456 -1.2689525 -0.4338187 -1.3209018 -3.0438176 -0.6954650 -0.4970864 -0.8121986 -3.0011212 5 O -2.3037456 1.2689525 -0.4338187 1.3209018 -3.0438176 0.6954650 -0.4970864 0.8121986 -3.0011212 6 O -2.3037456 1.2689525 0.4338187 1.3209018 -3.0438176 -0.6954650 0.4970864 -0.8121986 -3.0011212 7 O -2.3037456 -1.2689525 0.4338187 -1.3209018 -3.0438176 0.6954650 0.4970864 0.8121986 -3.0011212 8 O -2.3037456 -1.2689525 -0.4338187 -1.3209018 -3.0438176 -0.6954650 -0.4970864 -0.8121986 -3.0011212 9 O -5.8342214 0.5090754 0.0000000 -0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 10 O -5.8342214 0.5090754 0.0000000 -0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 11 O -5.8342214 -0.5090754 0.0000000 0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 12 O -5.8342214 -0.5090754 0.0000000 0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 13 O -1.7621475 -1.1289982 0.0000000 -1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 14 O -1.7621475 -1.1289982 0.0000000 -1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 15 O -1.7621475 1.1289982 0.0000000 1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 16 O -1.7621475 1.1289982 0.0000000 1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 17 Na 1.1752745 0.0000000 0.0000000 0.0000000 1.3879901 0.0000000 0.0000000 0.0000000 1.0328559 18 Na 1.1752745 0.0000000 0.0000000 0.0000000 1.3879901 0.0000000 0.0000000 0.0000000 1.0328559 19 Ta 8.5207133 0.0080333 0.0000000 -1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 20 Ta 8.5207133 0.0080333 0.0000000 -1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 21 Ta 8.5207133 -0.0080333 0.0000000 1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 22 Ta 8.5207133 -0.0080333 0.0000000 1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 23 Ta 6.1910189 0.0000000 0.0000000 0.0000000 7.7605522 0.0000000 0.0000000 0.0000000 6.3066234 24 Ta 6.1910189 0.0000000 0.0000000 0.0000000 7.7605522 0.0000000 0.0000000 0.0000000 6.3066234 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zxx) -0.00000003 (zxx) -0.00000003 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 00:41:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:41:41]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.615649615000000 5.246466395000000 3.477816825000000 b 3.615649615000000 -5.246466395000000 3.477816825000000 c 3.615649615000000 5.246466395000000 -3.477816825000000 Atomic positions (fractional): 1 O 0.85088612653486 0.01481605455172 0.45324777758275 15.999 2 O 0.56156827696897 0.39763834895211 0.54675222241725 15.999 3 O 0.64911387346514 0.10236165104789 0.16392992801686 15.999 4 O 0.93843172303103 0.48518394544828 0.83607007198314 15.999 5 O 0.14911387346514 0.98518394544828 0.54675222241725 15.999 6 O 0.43843172303103 0.60236165104789 0.45324777758275 15.999 7 O 0.35088612653486 0.89763834895211 0.83607007198314 15.999 8 O 0.06156827696897 0.51481605455172 0.16392992801686 15.999 9 O 0.17481210599509 0.00845356637488 0.18326567236998 15.999 10 O 0.82518789400491 0.99154643362512 0.81673432763002 15.999 11 O 0.32518789400491 0.50845356637488 0.83364146037979 15.999 12 O 0.67481210599509 0.49154643362512 0.16635853962021 15.999 13 O 0.43590881364115 0.87815171702590 0.31406053066705 15.999 14 O 0.56409118635885 0.12184828297410 0.68593946933295 15.999 15 O 0.06409118635885 0.37815171702590 0.44224290338474 15.999 16 O 0.93590881364115 0.62184828297410 0.55775709661526 15.999 17 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 18 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 19 Ta 0.76554912927346 0.73434582741892 0.49989495669238 180.948 20 Ta 0.23445087072654 0.26565417258108 0.50010504330762 180.948 21 Ta 0.73445087072654 0.23434582741892 0.96879669814546 180.948 22 Ta 0.26554912927346 0.76565417258108 0.03120330185454 180.948 23 Ta 0.25000000000000 0.75000000000000 0.50000000000000 180.948 24 Ta 0.75000000000000 0.25000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.231299230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.492932789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.911267300000000 Atomic positions (fractional): 1 O 0.30858885279981 0.14465892478295 0.35311360087596 15.999 > 1 2 O 0.30858885279981 0.14465892478295 0.85311360087596 15.999 > 1 3 O 0.19141114720019 0.35534107521705 0.10311360087596 15.999 > 3 4 O 0.19141114720019 0.35534107521705 0.60311360087596 15.999 > 3 5 O 0.80858885279981 0.35534107521705 0.14688639912404 15.999 > 5 6 O 0.80858885279981 0.35534107521705 0.64688639912404 15.999 > 5 7 O 0.69141114720019 0.14465892478295 0.39688639912404 15.999 > 7 8 O 0.69141114720019 0.14465892478295 0.89688639912404 15.999 > 7 9 O 0.19141114720019 0.35534107521705 0.39688639912404 15.999 > 9 10 O 0.19141114720019 0.35534107521705 0.89688639912404 15.999 > 9 11 O 0.30858885279981 0.14465892478295 0.14688639912404 15.999 > 11 12 O 0.30858885279981 0.14465892478295 0.64688639912404 15.999 > 11 13 O 0.69141114720019 0.14465892478295 0.10311360087596 15.999 > 13 14 O 0.69141114720019 0.14465892478295 0.60311360087596 15.999 > 13 15 O 0.80858885279981 0.35534107521705 0.35311360087596 15.999 > 15 16 O 0.80858885279981 0.35534107521705 0.85311360087596 15.999 > 15 17 O 0.00845356637488 0.17481210599509 0.00000000000000 15.999 > 17 18 O 0.00845356637488 0.17481210599509 0.50000000000000 15.999 > 17 19 O 0.49154643362512 0.32518789400491 0.25000000000000 15.999 > 19 20 O 0.49154643362512 0.32518789400491 0.75000000000000 15.999 > 19 21 O 0.50845356637488 0.32518789400491 0.00000000000000 15.999 > 21 22 O 0.50845356637488 0.32518789400491 0.50000000000000 15.999 > 21 23 O 0.99154643362512 0.17481210599509 0.25000000000000 15.999 > 23 24 O 0.99154643362512 0.17481210599509 0.75000000000000 15.999 > 23 25 O 0.87815171702590 0.43590881364115 0.00000000000000 15.999 > 25 26 O 0.87815171702590 0.43590881364115 0.50000000000000 15.999 > 25 27 O 0.62184828297410 0.06409118635885 0.25000000000000 15.999 > 27 28 O 0.62184828297410 0.06409118635885 0.75000000000000 15.999 > 27 29 O 0.37815171702590 0.06409118635885 0.00000000000000 15.999 > 29 30 O 0.37815171702590 0.06409118635885 0.50000000000000 15.999 > 29 31 O 0.12184828297410 0.43590881364115 0.25000000000000 15.999 > 31 32 O 0.12184828297410 0.43590881364115 0.75000000000000 15.999 > 31 33 O 0.80858885279981 0.64465892478295 0.10311360087596 15.999 > 1 34 O 0.80858885279981 0.64465892478295 0.60311360087596 15.999 > 1 35 O 0.69141114720019 0.85534107521705 0.35311360087596 15.999 > 3 36 O 0.69141114720019 0.85534107521705 0.85311360087596 15.999 > 3 37 O 0.30858885279981 0.85534107521705 0.39688639912404 15.999 > 5 38 O 0.30858885279981 0.85534107521705 0.89688639912404 15.999 > 5 39 O 0.19141114720019 0.64465892478295 0.14688639912404 15.999 > 7 40 O 0.19141114720019 0.64465892478295 0.64688639912404 15.999 > 7 41 O 0.69141114720019 0.85534107521705 0.14688639912404 15.999 > 9 42 O 0.69141114720019 0.85534107521705 0.64688639912404 15.999 > 9 43 O 0.80858885279981 0.64465892478295 0.39688639912404 15.999 > 11 44 O 0.80858885279981 0.64465892478295 0.89688639912404 15.999 > 11 45 O 0.19141114720019 0.64465892478295 0.35311360087596 15.999 > 13 46 O 0.19141114720019 0.64465892478295 0.85311360087596 15.999 > 13 47 O 0.30858885279981 0.85534107521705 0.10311360087596 15.999 > 15 48 O 0.30858885279981 0.85534107521705 0.60311360087596 15.999 > 15 49 O 0.50845356637488 0.67481210599509 0.25000000000000 15.999 > 17 50 O 0.50845356637488 0.67481210599509 0.75000000000000 15.999 > 17 51 O 0.99154643362512 0.82518789400491 0.00000000000000 15.999 > 19 52 O 0.99154643362512 0.82518789400491 0.50000000000000 15.999 > 19 53 O 0.00845356637488 0.82518789400491 0.25000000000000 15.999 > 21 54 O 0.00845356637488 0.82518789400491 0.75000000000000 15.999 > 21 55 O 0.49154643362512 0.67481210599509 0.00000000000000 15.999 > 23 56 O 0.49154643362512 0.67481210599509 0.50000000000000 15.999 > 23 57 O 0.37815171702590 0.93590881364115 0.25000000000000 15.999 > 25 58 O 0.37815171702590 0.93590881364115 0.75000000000000 15.999 > 25 59 O 0.12184828297410 0.56409118635885 0.00000000000000 15.999 > 27 60 O 0.12184828297410 0.56409118635885 0.50000000000000 15.999 > 27 61 O 0.87815171702590 0.56409118635885 0.25000000000000 15.999 > 29 62 O 0.87815171702590 0.56409118635885 0.75000000000000 15.999 > 29 63 O 0.62184828297410 0.93590881364115 0.00000000000000 15.999 > 31 64 O 0.62184828297410 0.93590881364115 0.50000000000000 15.999 > 31 65 Na 0.00000000000000 0.00000000000000 0.12500000000000 22.990 > 65 66 Na 0.00000000000000 0.00000000000000 0.62500000000000 22.990 > 65 67 Na 0.00000000000000 0.00000000000000 0.37500000000000 22.990 > 67 68 Na 0.00000000000000 0.00000000000000 0.87500000000000 22.990 > 67 69 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 65 70 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 65 71 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 67 72 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 67 73 Ta 0.23434582741892 0.26554912927346 0.25000000000000 180.948 > 73 74 Ta 0.23434582741892 0.26554912927346 0.75000000000000 180.948 > 73 75 Ta 0.26565417258108 0.23445087072654 0.00000000000000 180.948 > 75 76 Ta 0.26565417258108 0.23445087072654 0.50000000000000 180.948 > 75 77 Ta 0.73434582741892 0.23445087072654 0.25000000000000 180.948 > 77 78 Ta 0.73434582741892 0.23445087072654 0.75000000000000 180.948 > 77 79 Ta 0.76565417258108 0.26554912927346 0.00000000000000 180.948 > 79 80 Ta 0.76565417258108 0.26554912927346 0.50000000000000 180.948 > 79 81 Ta 0.50000000000000 0.00000000000000 0.12500000000000 180.948 > 81 82 Ta 0.50000000000000 0.00000000000000 0.62500000000000 180.948 > 81 83 Ta 0.50000000000000 0.00000000000000 0.37500000000000 180.948 > 83 84 Ta 0.50000000000000 0.00000000000000 0.87500000000000 180.948 > 83 85 Ta 0.73434582741892 0.76554912927346 0.00000000000000 180.948 > 73 86 Ta 0.73434582741892 0.76554912927346 0.50000000000000 180.948 > 73 87 Ta 0.76565417258108 0.73445087072654 0.25000000000000 180.948 > 75 88 Ta 0.76565417258108 0.73445087072654 0.75000000000000 180.948 > 75 89 Ta 0.23434582741892 0.73445087072654 0.00000000000000 180.948 > 77 90 Ta 0.23434582741892 0.73445087072654 0.50000000000000 180.948 > 77 91 Ta 0.26565417258108 0.76554912927346 0.25000000000000 180.948 > 79 92 Ta 0.26565417258108 0.76554912927346 0.75000000000000 180.948 > 79 93 Ta 0.00000000000000 0.50000000000000 0.37500000000000 180.948 > 81 94 Ta 0.00000000000000 0.50000000000000 0.87500000000000 180.948 > 81 95 Ta 0.00000000000000 0.50000000000000 0.12500000000000 180.948 > 83 96 Ta 0.00000000000000 0.50000000000000 0.62500000000000 180.948 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2111746 0.0000000 0.0000000 0.0000000 5.5363473 0.0000000 0.0000000 0.0000000 5.5766206 -------------------------- Born effective charges -------------------------- 1 O -2.3037456 1.2689525 -0.4338187 1.3209018 -3.0438176 0.6954650 -0.4970864 0.8121986 -3.0011212 2 O -2.3037456 1.2689525 0.4338187 1.3209018 -3.0438176 -0.6954650 0.4970864 -0.8121986 -3.0011212 3 O -2.3037456 -1.2689525 0.4338187 -1.3209018 -3.0438176 0.6954650 0.4970864 0.8121986 -3.0011212 4 O -2.3037456 -1.2689525 -0.4338187 -1.3209018 -3.0438176 -0.6954650 -0.4970864 -0.8121986 -3.0011212 5 O -2.3037456 1.2689525 -0.4338187 1.3209018 -3.0438176 0.6954650 -0.4970864 0.8121986 -3.0011212 6 O -2.3037456 1.2689525 0.4338187 1.3209018 -3.0438176 -0.6954650 0.4970864 -0.8121986 -3.0011212 7 O -2.3037456 -1.2689525 0.4338187 -1.3209018 -3.0438176 0.6954650 0.4970864 0.8121986 -3.0011212 8 O -2.3037456 -1.2689525 -0.4338187 -1.3209018 -3.0438176 -0.6954650 -0.4970864 -0.8121986 -3.0011212 9 O -5.8342214 0.5090754 0.0000000 -0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 10 O -5.8342214 0.5090754 0.0000000 -0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 11 O -5.8342214 -0.5090754 0.0000000 0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 12 O -5.8342214 -0.5090754 0.0000000 0.0186303 -1.5357961 0.0000000 0.0000000 0.0000000 -1.4505733 13 O -1.7621475 -1.1289982 0.0000000 -1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 14 O -1.7621475 -1.1289982 0.0000000 -1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 15 O -1.7621475 1.1289982 0.0000000 1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 16 O -1.7621475 1.1289982 0.0000000 1.1339730 -2.7065130 0.0000000 0.0000000 0.0000000 -2.6394756 17 Na 1.1752745 0.0000000 0.0000000 0.0000000 1.3879901 0.0000000 0.0000000 0.0000000 1.0328559 18 Na 1.1752745 0.0000000 0.0000000 0.0000000 1.3879901 0.0000000 0.0000000 0.0000000 1.0328559 19 Ta 8.5207133 0.0080333 0.0000000 -1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 20 Ta 8.5207133 0.0080333 0.0000000 -1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 21 Ta 8.5207133 -0.0080333 0.0000000 1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 22 Ta 8.5207133 -0.0080333 0.0000000 1.2492304 5.7556733 0.0000000 0.0000000 0.0000000 6.4225517 23 Ta 6.1910189 0.0000000 0.0000000 0.0000000 7.7605522 0.0000000 0.0000000 0.0000000 6.3066234 24 Ta 6.1910189 0.0000000 0.0000000 0.0000000 7.7605522 0.0000000 0.0000000 0.0000000 6.3066234 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zxx) -0.00000003 (zxx) -0.00000003 (zxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 7 70 ] Grid generation matrix: [ 0 7 7 ] [ 5 0 5 ] [ 7 7 0 ] 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: 0.65, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 7.271 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.370 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 10.864 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.141 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 12.779 ( 0.000 0.000 0.000) 0.000 13.106 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 15.658 ( 0.000 0.000 0.000) 0.000 15.794 ( 0.000 0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 16.172 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.589 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 17.175 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 22.012 ( 0.000 0.000 0.000) 0.000 22.823 ( 0.000 0.000 0.000) 0.000 22.930 ( 0.000 0.000 0.000) 0.000 23.180 ( 0.000 0.000 0.000) 0.000 23.383 ( 0.000 0.000 0.000) 0.000 24.031 ( 0.000 0.000 0.000) 0.000 24.839 ( 0.000 0.000 0.000) 0.000 24.912 ( 0.000 0.000 0.000) 0.000 25.308 ( 0.000 0.000 0.000) 0.000 25.633 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 25.118 -0.000 -14.854) 29.181 1.086 ( 27.168 -0.000 -21.636) 34.731 1.476 ( 26.243 -0.000 -40.394) 48.170 2.202 ( 5.671 -0.000 -2.037) 6.025 2.482 ( 15.512 -0.000 7.044) 17.037 2.689 ( 4.163 -0.000 -0.710) 4.223 3.042 ( -2.150 0.000 -7.120) 7.437 3.167 ( 8.270 -0.000 2.298) 8.583 3.382 ( -3.947 0.000 3.215) 5.091 3.492 ( -0.038 0.000 -10.703) 10.703 3.593 ( -5.788 0.000 -0.746) 5.836 3.621 ( 0.355 -0.000 0.746) 0.826 3.794 ( 4.343 0.000 -13.854) 14.519 3.856 ( 10.271 -0.000 -9.773) 14.177 4.253 ( 5.134 -0.000 -1.637) 5.389 4.531 ( 5.173 -0.000 1.179) 5.306 4.636 ( -4.668 0.000 2.513) 5.302 4.837 ( 0.218 -0.000 1.588) 1.602 5.052 ( 13.873 -0.000 -13.100) 19.080 5.318 ( 1.034 -0.000 1.674) 1.967 5.378 ( -2.767 0.000 -3.427) 4.405 5.770 ( 5.749 -0.000 -9.831) 11.388 6.136 ( 21.081 -0.000 19.424) 28.665 6.328 ( -5.596 0.000 -2.879) 6.293 6.359 ( 8.850 -0.000 12.931) 15.669 6.962 ( 6.429 -0.000 -5.170) 8.250 7.195 ( -16.269 0.000 -13.324) 21.029 7.271 ( -3.147 0.000 1.518) 3.494 7.735 ( -1.492 -0.000 17.083) 17.148 7.900 ( -24.311 0.000 -1.085) 24.335 8.115 ( -7.784 0.000 4.086) 8.791 8.378 ( 3.751 -0.000 -0.263) 3.760 8.585 ( 3.851 -0.000 8.820) 9.624 9.008 ( 22.274 -0.000 3.819) 22.599 9.534 ( -4.215 0.000 1.213) 4.386 9.735 ( 12.267 -0.000 12.586) 17.575 9.796 ( 1.540 -0.000 4.782) 5.024 10.037 ( -5.462 0.000 -8.436) 10.050 10.333 ( 28.663 -0.000 11.398) 30.846 10.345 ( 0.654 -0.000 10.016) 10.037 10.734 ( 0.698 -0.000 2.198) 2.306 11.316 ( 3.015 -0.000 13.086) 13.429 11.408 ( -2.198 -0.000 5.433) 5.861 12.064 ( -0.121 -0.000 5.228) 5.229 12.258 ( 20.282 -0.000 30.695) 36.790 12.340 ( 3.778 0.000 -16.735) 17.156 12.769 ( 0.869 -0.000 -1.429) 1.673 12.992 ( -9.863 0.000 2.570) 10.192 13.069 ( -6.499 0.000 -0.487) 6.517 13.134 ( 17.542 -0.000 -5.438) 18.365 13.814 ( 6.064 -0.000 4.205) 7.379 14.490 ( -1.882 -0.000 10.114) 10.287 15.819 ( -5.960 0.000 -16.491) 17.535 15.884 ( 6.573 -0.000 0.531) 6.595 16.013 ( -8.041 0.000 -2.473) 8.412 16.182 ( 2.992 -0.000 10.075) 10.510 16.816 ( 0.835 0.000 -1.708) 1.901 16.862 ( 1.338 0.000 -18.709) 18.757 17.411 ( 6.571 0.000 -14.443) 15.868 18.574 ( -12.332 0.000 -12.158) 17.318 19.692 ( 2.047 -0.000 -3.772) 4.292 21.402 ( 15.251 -0.000 51.358) 53.575 22.560 ( 11.853 -0.000 33.583) 35.614 22.584 ( 23.622 -0.000 21.651) 32.043 22.699 ( -11.852 0.000 14.191) 18.490 23.253 ( 1.360 -0.000 -2.338) 2.705 23.702 ( -9.778 0.000 9.988) 13.977 23.889 ( 16.018 -0.000 -14.818) 21.820 24.636 ( -11.192 0.000 7.812) 13.648 25.137 ( 9.669 -0.000 -6.411) 11.601 25.443 ( -7.560 0.000 -16.383) 18.043 25.684 ( 1.722 -0.000 -2.492) 3.029 ======================= Grid point 2 (3/96) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 16.596 -0.000 -4.988) 17.329 1.761 ( 6.701 -0.000 -7.006) 9.695 2.360 ( 18.034 -0.000 -8.195) 19.809 2.661 ( 11.991 -0.000 -11.775) 16.806 2.773 ( 3.468 -0.000 0.727) 3.543 2.884 ( 26.693 -0.000 -11.455) 29.048 3.109 ( -6.794 0.000 -3.544) 7.662 3.193 ( 3.931 -0.000 5.983) 7.159 3.382 ( -1.094 0.000 -12.356) 12.405 3.435 ( -9.404 0.000 0.508) 9.418 3.586 ( 0.038 0.000 -4.050) 4.050 3.853 ( 4.228 0.000 -15.139) 15.718 4.081 ( -1.951 0.000 -6.231) 6.529 4.180 ( 3.908 -0.000 -5.990) 7.152 4.628 ( 4.604 -0.000 -4.015) 6.109 4.649 ( 16.526 -0.000 -11.824) 20.321 4.718 ( 3.069 0.000 -13.520) 13.864 4.742 ( -2.768 0.000 4.414) 5.210 5.336 ( -0.333 -0.000 1.154) 1.201 5.411 ( 1.084 0.000 -3.324) 3.496 5.621 ( 17.011 -0.000 -5.139) 17.770 5.966 ( 4.880 -0.000 8.893) 10.144 6.158 ( 4.461 -0.000 4.128) 6.078 6.299 ( -2.846 0.000 -6.244) 6.861 6.441 ( 17.316 -0.000 0.455) 17.322 6.991 ( -10.870 0.000 7.064) 12.964 7.092 ( -10.136 0.000 -6.364) 11.969 7.259 ( 8.116 -0.000 -7.329) 10.935 7.327 ( -5.507 -0.000 14.647) 15.649 7.616 ( -10.962 0.000 -4.988) 12.044 7.768 ( -9.953 0.000 10.580) 14.526 8.464 ( 1.739 -0.000 1.594) 2.359 8.505 ( 4.350 -0.000 3.217) 5.410 9.304 ( 14.887 -0.000 4.347) 15.509 9.378 ( -6.241 0.000 5.124) 8.075 9.567 ( -5.302 0.000 8.409) 9.941 9.797 ( 8.985 -0.000 2.067) 9.219 10.061 ( -0.004 -0.000 8.878) 8.878 10.219 ( -6.034 0.000 -7.390) 9.541 10.458 ( 5.653 -0.000 18.702) 19.538 10.788 ( 23.781 -0.000 9.773) 25.711 11.181 ( 4.159 -0.000 6.079) 7.365 11.369 ( 4.633 -0.000 -2.951) 5.493 11.968 ( 4.109 -0.000 6.501) 7.691 12.096 ( 13.015 -0.000 17.336) 21.678 12.628 ( -15.901 0.000 3.770) 16.342 12.785 ( 3.312 0.000 -13.497) 13.897 12.807 ( -5.438 0.000 -6.165) 8.221 12.938 ( -8.275 0.000 -3.141) 8.851 13.471 ( 9.190 -0.000 1.257) 9.275 13.849 ( 9.848 -0.000 7.387) 12.310 14.233 ( -5.532 0.000 6.702) 8.691 15.727 ( -11.642 0.000 0.173) 11.643 15.800 ( -4.117 0.000 5.971) 7.253 16.235 ( 19.001 -0.000 1.764) 19.083 16.286 ( -1.168 0.000 -14.417) 14.465 16.953 ( 9.887 -0.000 -0.826) 9.921 17.283 ( 0.604 0.000 -17.153) 17.164 18.029 ( 18.292 -0.000 -22.986) 29.376 18.578 ( -21.977 0.000 -23.260) 32.001 19.914 ( 1.225 0.000 -15.299) 15.348 20.552 ( 8.410 -0.000 50.876) 51.566 21.861 ( -26.066 0.000 27.336) 37.772 21.915 ( 1.032 -0.000 37.953) 37.967 22.737 ( 15.680 -0.000 3.446) 16.055 23.323 ( 4.843 -0.000 1.199) 4.990 23.450 ( 1.522 -0.000 8.359) 8.496 24.173 ( -24.346 0.000 1.854) 24.416 24.530 ( 13.714 -0.000 -16.844) 21.721 25.403 ( 0.791 0.000 -8.672) 8.708 25.579 ( -5.839 0.000 -8.848) 10.601 25.761 ( 1.050 -0.000 -1.399) 1.749 ======================= Grid point 3 (4/96) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 7.525 -0.000 1.729) 7.721 1.833 ( -2.386 0.000 -1.728) 2.946 2.817 ( 11.419 -0.000 -0.899) 11.455 2.819 ( 2.110 -0.000 -0.932) 2.307 2.923 ( 6.440 -0.000 0.997) 6.517 3.038 ( -8.330 0.000 -4.400) 9.421 3.174 ( 6.505 -0.000 4.200) 7.743 3.252 ( -8.160 0.000 -1.396) 8.279 3.370 ( 6.043 -0.000 -6.374) 8.783 3.562 ( -4.349 0.000 -2.927) 5.242 3.913 ( 12.778 -0.000 -6.980) 14.560 4.076 ( -6.442 0.000 -5.477) 8.456 4.253 ( 7.443 -0.000 -10.898) 13.197 4.439 ( 5.040 0.000 -12.199) 13.199 4.537 ( -3.894 0.000 6.987) 7.999 4.746 ( -1.524 -0.000 5.064) 5.288 4.980 ( 6.405 -0.000 -4.912) 8.072 5.210 ( -2.867 -0.000 7.961) 8.461 5.227 ( -3.703 0.000 -26.443) 26.701 5.497 ( 2.976 -0.000 0.565) 3.029 5.797 ( 7.990 -0.000 17.170) 18.938 5.822 ( 3.895 -0.000 6.797) 7.834 6.238 ( 10.500 -0.000 -3.671) 11.123 6.445 ( -3.419 0.000 -13.303) 13.736 6.474 ( -1.228 -0.000 5.647) 5.779 6.761 ( -2.303 -0.000 15.584) 15.753 7.103 ( -6.104 0.000 -3.152) 6.870 7.111 ( -6.910 0.000 -4.886) 8.463 7.452 ( 1.337 -0.000 3.468) 3.716 7.471 ( 0.907 0.000 -3.555) 3.669 7.763 ( 8.703 -0.000 -14.402) 16.827 8.270 ( -8.415 0.000 11.562) 14.300 8.691 ( 10.662 -0.000 -5.728) 12.103 9.066 ( -10.256 0.000 8.450) 13.289 9.375 ( -2.729 0.000 -0.009) 2.730 9.402 ( 6.281 -0.000 6.348) 8.930 9.891 ( -1.296 -0.000 2.667) 2.965 9.940 ( 4.875 -0.000 3.931) 6.262 10.112 ( 7.825 -0.000 15.308) 17.192 10.200 ( -12.839 0.000 -7.336) 14.787 11.061 ( 16.683 -0.000 5.412) 17.539 11.178 ( -1.972 0.000 -0.914) 2.174 11.681 ( 15.992 -0.000 -5.157) 16.803 11.971 ( 2.970 -0.000 1.386) 3.277 12.034 ( 4.055 -0.000 5.875) 7.139 12.164 ( -18.120 0.000 5.568) 18.956 12.798 ( -5.126 0.000 -3.647) 6.291 12.803 ( -2.753 0.000 0.130) 2.756 13.187 ( 3.554 0.000 -12.370) 12.870 13.442 ( -0.595 -0.000 7.834) 7.857 13.911 ( 10.281 -0.000 5.977) 11.892 14.026 ( -8.376 0.000 -0.298) 8.381 15.566 ( -6.597 0.000 -3.232) 7.346 15.609 ( 0.166 -0.000 6.957) 6.959 16.496 ( 14.013 -0.000 6.370) 15.393 16.504 ( -6.156 0.000 -11.956) 13.448 17.208 ( 14.660 -0.000 0.582) 14.672 17.430 ( -10.436 0.000 -5.365) 11.734 18.810 ( -16.289 0.000 -37.223) 40.631 18.972 ( 25.890 -0.000 -10.971) 28.119 19.820 ( 17.293 -0.000 31.109) 35.592 20.312 ( -15.363 0.000 -23.264) 27.880 20.740 ( -19.293 0.000 21.691) 29.030 21.133 ( 0.052 -0.000 36.985) 36.985 23.041 ( 2.060 0.000 -15.004) 15.145 23.322 ( 13.165 -0.000 20.651) 24.491 23.410 ( 19.219 -0.000 12.639) 23.003 23.668 ( -36.871 0.000 -14.275) 39.538 25.076 ( 14.248 -0.000 -8.648) 16.667 25.416 ( -14.540 0.000 -4.325) 15.169 25.661 ( 4.582 -0.000 -1.674) 4.878 25.760 ( -1.443 0.000 1.313) 1.951 ======================= Grid point 7 (5/96) ======================= q-point: (-0.41 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 -7.059 -9.075) 11.497 1.771 ( -0.000 -13.319 -7.933) 15.503 1.987 ( -0.000 3.121 5.012) 5.905 2.122 ( 0.000 6.840 4.317) 8.088 2.811 ( -0.000 -3.763 -3.451) 5.106 2.945 ( 0.000 3.610 1.991) 4.123 3.347 ( -0.000 0.015 0.296) 0.296 3.355 ( 0.000 3.738 -3.671) 5.239 3.398 ( 0.000 -16.360 -20.459) 26.196 3.836 ( -0.000 -0.474 -0.333) 0.580 3.879 ( 0.000 -4.207 -4.495) 6.157 4.057 ( 0.000 4.488 3.387) 5.622 4.150 ( 0.000 0.178 -11.603) 11.604 4.253 ( -0.000 -3.535 10.240) 10.833 4.538 ( 0.000 4.507 -15.514) 16.156 4.641 ( 0.000 -6.203 -13.090) 14.486 4.868 ( -0.000 -2.709 14.304) 14.559 5.050 ( -0.000 -1.235 1.209) 1.728 5.176 ( 0.000 -4.670 -6.713) 8.177 5.446 ( -0.000 -0.675 2.321) 2.417 5.505 ( 0.000 0.635 -17.145) 17.156 5.741 ( -0.000 -7.132 10.677) 12.839 6.140 ( -0.000 -0.520 8.207) 8.224 6.187 ( 0.000 9.398 3.073) 9.887 6.635 ( 0.000 -10.365 -22.379) 24.663 7.016 ( -0.000 -2.766 4.970) 5.688 7.018 ( 0.000 4.521 -0.652) 4.568 7.143 ( 0.000 7.050 3.718) 7.971 7.674 ( 0.000 4.541 -0.213) 4.546 7.785 ( -0.000 4.459 6.921) 8.233 8.380 ( -0.000 -11.059 -6.367) 12.761 8.419 ( 0.000 0.037 -7.591) 7.591 8.695 ( -0.000 -12.361 -4.018) 12.998 8.773 ( -0.000 -4.767 4.718) 6.707 8.782 ( -0.000 0.292 1.580) 1.607 9.096 ( 0.000 12.451 7.422) 14.495 9.508 ( -0.000 -4.924 1.704) 5.211 9.767 ( 0.000 8.868 2.766) 9.290 9.832 ( -0.000 -0.562 0.394) 0.687 10.096 ( -0.000 14.228 18.242) 23.135 10.298 ( 0.000 10.787 -8.460) 13.708 10.472 ( -0.000 -6.000 20.479) 21.339 11.322 ( 0.000 -6.172 -6.772) 9.163 11.551 ( -0.000 -1.205 7.980) 8.071 11.894 ( -0.000 -11.482 -4.860) 12.468 12.269 ( 0.000 16.207 2.255) 16.363 12.791 ( 0.000 6.336 -7.937) 10.156 12.882 ( -0.000 -1.114 7.326) 7.411 13.352 ( 0.000 -1.807 -13.656) 13.775 13.623 ( -0.000 -2.919 11.129) 11.505 13.864 ( -0.000 -17.016 1.592) 17.090 14.127 ( 0.000 10.881 0.371) 10.888 15.832 ( 0.000 -0.936 -1.945) 2.159 15.924 ( -0.000 2.427 3.618) 4.357 16.188 ( -0.000 -15.765 12.172) 19.917 16.226 ( 0.000 14.725 -12.860) 19.550 17.153 ( 0.000 13.435 -22.946) 26.590 17.271 ( -0.000 -12.596 10.314) 16.280 18.261 ( 0.000 0.615 -36.098) 36.104 19.124 ( -0.000 -0.374 46.917) 46.918 19.932 ( 0.000 -3.796 -41.357) 41.531 20.200 ( 0.000 -12.625 -14.633) 19.327 20.965 ( -0.000 3.380 41.106) 41.245 20.984 ( -0.000 19.020 23.501) 30.233 22.863 ( -0.000 -22.340 3.855) 22.670 23.247 ( 0.000 19.032 1.333) 19.078 23.474 ( -0.000 -22.496 15.499) 27.318 23.618 ( 0.000 28.643 -18.845) 34.286 25.542 ( -0.000 -10.109 -5.230) 11.382 25.602 ( 0.000 -4.182 -8.730) 9.680 25.829 ( -0.000 -5.516 5.600) 7.860 25.893 ( 0.000 7.848 -4.951) 9.279 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.44 -0.01 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -0.070 -0.879 -2.629) 2.773 1.953 ( -2.992 8.027 -3.274) 9.171 2.107 ( 15.587 -0.858 0.918) 15.637 2.218 ( 19.266 2.091 -4.595) 19.917 2.868 ( -0.274 -1.860 -0.133) 1.885 2.891 ( 1.003 1.503 1.360) 2.261 3.307 ( -2.867 -1.072 -0.294) 3.075 3.408 ( -0.031 8.282 1.292) 8.383 3.696 ( -1.015 7.944 9.638) 12.531 3.821 ( -0.558 -2.222 -7.452) 7.796 3.941 ( -2.071 -1.844 -2.695) 3.867 3.971 ( 3.166 2.883 -1.943) 4.701 4.195 ( 2.087 3.110 -1.062) 3.893 4.387 ( 1.309 6.854 -8.900) 11.310 4.496 ( 0.529 -1.026 15.272) 15.316 4.731 ( -0.833 3.657 3.398) 5.062 4.967 ( 3.303 3.164 -2.493) 5.209 4.986 ( 2.046 -4.332 -11.831) 12.764 5.305 ( -1.664 -1.467 19.063) 19.192 5.453 ( 4.784 -0.517 -5.611) 7.392 5.502 ( 0.858 2.586 -0.001) 2.724 5.814 ( -4.359 5.586 -16.179) 17.663 6.067 ( 5.809 -5.173 7.310) 10.674 6.266 ( 7.559 -3.850 -8.147) 11.762 6.747 ( -3.368 4.187 11.659) 12.838 6.897 ( -5.513 -1.747 1.789) 6.053 7.014 ( -1.815 3.120 5.048) 6.206 7.120 ( 0.087 4.088 -13.620) 14.220 7.624 ( 0.108 4.438 8.912) 9.956 7.723 ( -2.390 -0.428 -5.782) 6.271 8.173 ( -10.349 -6.619 9.478) 15.516 8.390 ( -10.196 0.607 -6.865) 12.307 8.680 ( 3.089 -13.302 -0.473) 13.664 8.867 ( 1.622 6.939 -1.642) 7.313 9.072 ( 16.296 -2.913 1.113) 16.591 9.164 ( 2.648 2.514 -2.116) 4.220 9.588 ( 6.599 -8.679 -1.835) 11.057 9.840 ( 10.249 8.295 -5.311) 14.215 9.874 ( 1.225 2.294 3.109) 4.053 10.012 ( 10.740 0.759 -11.936) 16.075 10.322 ( 17.659 -1.895 12.037) 21.455 10.686 ( 11.022 2.994 -14.656) 18.581 11.447 ( 3.769 3.405 4.626) 6.870 11.515 ( 1.600 -5.678 -9.199) 10.928 12.013 ( 1.883 -12.966 -4.686) 13.915 12.209 ( 0.517 18.660 4.415) 19.182 12.673 ( -1.706 -4.190 9.738) 10.737 12.877 ( -3.159 2.274 -2.216) 4.479 13.349 ( 0.218 -2.246 14.545) 14.719 13.596 ( -2.027 -2.725 -11.251) 11.752 13.860 ( -1.176 -14.053 -2.037) 14.248 14.134 ( -2.058 11.984 -3.542) 12.664 15.768 ( -4.280 -8.706 7.827) 12.465 15.851 ( 0.931 -2.024 2.388) 3.266 16.049 ( 5.136 -5.362 3.103) 8.047 16.443 ( 0.656 10.890 -6.243) 12.569 17.036 ( 4.510 -5.883 13.150) 15.095 17.527 ( -0.229 12.735 -10.495) 16.504 18.308 ( 6.316 -0.204 38.137) 38.657 19.093 ( -1.432 -2.528 -36.468) 36.584 19.952 ( -5.934 12.115 23.822) 27.376 20.399 ( -12.683 -7.857 -28.813) 32.446 20.785 ( 15.634 17.204 20.618) 31.073 21.108 ( 14.084 -9.185 -36.228) 39.940 22.321 ( -21.221 -34.353 22.214) 46.086 23.088 ( 13.571 -16.704 10.744) 24.055 23.440 ( -4.381 9.279 -4.231) 11.099 24.123 ( 6.629 26.086 -15.099) 30.861 25.473 ( -9.726 -6.358 0.996) 11.662 25.632 ( -8.900 4.708 -0.427) 10.078 25.712 ( 0.569 -3.287 6.809) 7.582 25.964 ( -2.085 5.713 -6.117) 8.626 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.30 -0.01 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -10.467 16.266 -0.847) 19.361 1.989 ( 6.422 2.244 -5.476) 8.733 2.393 ( 14.687 0.718 1.973) 14.837 2.725 ( 10.952 -1.498 -2.871) 11.420 2.812 ( 2.703 6.786 7.783) 10.674 2.935 ( 6.332 -0.728 1.561) 6.562 3.202 ( -3.327 4.966 6.686) 8.969 3.309 ( -3.232 2.046 -1.992) 4.313 3.451 ( -2.178 0.942 5.899) 6.358 3.717 ( -7.729 2.881 0.931) 8.301 3.916 ( 2.591 7.912 6.705) 10.690 4.031 ( -1.450 -1.376 2.217) 2.986 4.229 ( 0.294 1.942 5.501) 5.841 4.387 ( -4.736 5.308 5.730) 9.134 4.541 ( 5.943 10.431 1.426) 12.090 4.623 ( 1.454 2.357 -2.707) 3.872 4.903 ( -0.398 6.083 9.471) 11.264 5.016 ( -7.208 -2.371 -3.959) 8.559 5.188 ( -0.198 -0.951 -5.935) 6.014 5.530 ( 1.419 5.326 -2.794) 6.179 5.706 ( 6.015 4.938 -3.707) 8.620 5.954 ( 3.396 -1.334 1.980) 4.152 6.245 ( 8.388 -1.734 -8.036) 11.745 6.483 ( -5.982 -5.441 0.583) 8.107 6.519 ( 0.044 3.264 4.204) 5.323 6.847 ( 8.372 2.231 -4.016) 9.550 6.910 ( -2.996 -1.264 -2.472) 4.085 7.265 ( -8.990 3.817 -3.568) 10.399 7.507 ( 8.677 5.178 6.145) 11.826 7.601 ( -4.129 1.974 5.414) 7.089 7.919 ( -0.904 -7.082 3.834) 8.104 8.309 ( -6.685 -6.387 2.368) 9.545 8.733 ( 4.013 -6.716 3.102) 8.416 8.966 ( 0.127 7.598 -6.884) 10.254 9.113 ( -7.945 -3.239 -6.374) 10.688 9.395 ( 6.951 -0.447 -4.252) 8.161 9.850 ( 10.288 -2.542 -1.488) 10.702 9.960 ( 0.828 -2.906 -7.188) 7.797 10.196 ( 3.679 -0.032 -17.450) 17.833 10.567 ( 23.553 -5.095 3.516) 24.353 10.657 ( 17.478 0.097 -13.058) 21.818 11.224 ( 17.224 0.907 -9.789) 19.832 11.505 ( 8.802 4.440 2.775) 10.242 11.723 ( 0.271 -6.887 -7.428) 10.133 12.077 ( -2.442 0.547 1.062) 2.718 12.147 ( 0.588 5.545 1.260) 5.716 12.480 ( -3.241 -4.351 4.438) 7.009 12.724 ( -7.885 -0.800 5.246) 9.505 13.102 ( 3.267 -1.770 11.124) 11.729 13.728 ( -3.436 0.383 -8.731) 9.390 13.926 ( -1.522 -7.900 -7.455) 10.968 14.219 ( -0.755 6.979 -7.192) 10.050 15.451 ( -5.049 -4.634 12.176) 13.972 15.893 ( 5.368 -9.192 2.800) 11.007 16.084 ( 5.141 1.881 3.735) 6.627 16.552 ( 13.272 0.712 4.191) 13.937 17.023 ( 3.519 3.738 -2.507) 5.713 17.466 ( -6.338 9.111 9.399) 14.544 17.869 ( 9.278 -4.215 20.057) 22.497 18.898 ( -11.144 13.588 17.344) 24.691 20.203 ( 3.280 6.462 -6.708) 9.875 20.758 ( -15.251 -17.282 -16.963) 28.618 20.856 ( 20.635 12.294 -11.113) 26.465 21.476 ( -14.934 -21.651 -0.710) 26.312 22.126 ( 6.042 -10.618 -30.164) 32.544 23.212 ( 23.698 -31.492 16.658) 42.788 23.501 ( -0.690 13.591 -10.963) 17.475 24.387 ( -3.324 16.545 -6.664) 18.143 25.071 ( -18.101 10.800 10.194) 23.414 25.394 ( -8.371 -4.339 4.694) 10.532 25.612 ( -1.703 4.617 1.380) 5.110 26.033 ( -2.528 2.814 -4.362) 5.773 ======================= Grid point 10 (8/96) ======================= q-point: ( 0.16 -0.01 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -13.956 16.567 0.634) 21.671 2.232 ( -0.081 -6.257 6.914) 9.325 2.406 ( 4.952 14.817 0.679) 15.637 2.628 ( 6.598 -0.873 6.100) 9.028 2.850 ( 2.927 -1.486 -1.388) 3.564 3.040 ( -3.883 3.346 4.391) 6.749 3.154 ( 2.934 -0.891 -2.515) 3.965 3.306 ( -3.860 2.165 -3.888) 5.891 3.410 ( -0.202 -2.364 -1.552) 2.835 3.593 ( -0.326 0.205 -0.450) 0.592 3.728 ( -7.634 1.544 8.276) 11.364 3.840 ( -0.809 9.714 14.847) 17.761 3.982 ( -0.974 -1.483 6.034) 6.290 4.350 ( -1.476 5.531 -4.970) 7.581 4.391 ( -5.288 0.859 3.882) 6.616 4.679 ( -6.183 2.230 2.067) 6.890 4.841 ( -1.151 -7.421 -3.086) 8.119 5.063 ( 1.441 5.606 -4.369) 7.252 5.204 ( 0.204 -0.335 4.636) 4.653 5.673 ( -2.867 4.024 -7.713) 9.160 5.797 ( 9.971 -2.341 4.378) 11.138 5.995 ( 1.179 0.038 -0.975) 1.530 6.106 ( -8.776 10.009 7.100) 15.087 6.410 ( 2.180 -2.009 -3.171) 4.341 6.680 ( -0.904 3.970 4.500) 6.069 6.978 ( -2.461 -0.570 -10.815) 11.106 7.174 ( 8.670 3.217 -5.752) 10.891 7.191 ( -2.412 -9.422 -7.928) 12.548 7.476 ( 0.413 -1.245 -2.365) 2.705 7.677 ( 4.016 -1.023 -2.455) 4.817 7.910 ( 11.765 2.176 9.337) 15.176 7.978 ( -8.286 -11.221 11.481) 18.066 8.731 ( 1.706 2.599 1.206) 3.335 9.055 ( -5.288 0.155 -4.683) 7.065 9.164 ( -2.134 5.924 -5.905) 8.632 9.491 ( 1.672 2.098 -0.095) 2.684 10.046 ( -1.571 -2.919 -3.063) 4.513 10.075 ( 4.044 1.224 -4.159) 5.929 10.563 ( -0.354 -11.491 -11.739) 16.430 10.948 ( 13.180 -6.140 -5.213) 15.446 11.171 ( 9.139 2.599 -7.017) 11.812 11.658 ( 8.180 -0.484 -0.125) 8.196 11.763 ( 18.673 3.804 -5.214) 19.757 11.795 ( 4.393 1.045 -0.081) 4.516 11.993 ( -4.840 1.481 -1.658) 5.326 12.063 ( -4.325 -0.156 5.486) 6.988 12.197 ( -15.166 -3.804 3.504) 16.024 12.492 ( -2.985 3.563 6.486) 7.980 13.026 ( 1.797 -3.570 2.354) 4.638 13.883 ( 0.172 -1.111 -7.763) 7.844 14.107 ( -0.240 1.289 -10.103) 10.187 14.376 ( -0.906 0.589 -10.895) 10.948 15.092 ( -1.082 1.608 16.408) 16.522 15.809 ( 5.704 -7.790 11.383) 14.926 16.246 ( 3.400 -1.103 -7.139) 7.984 16.835 ( 12.044 -0.795 2.794) 12.389 17.053 ( 2.444 8.030 1.048) 8.459 17.265 ( -1.032 -1.188 -0.734) 1.737 17.624 ( -2.637 -4.736 11.195) 12.438 18.435 ( -8.817 12.383 10.538) 18.497 19.802 ( -7.268 -5.731 21.194) 23.127 20.678 ( 2.815 2.768 2.045) 4.447 21.606 ( 3.255 2.214 -20.866) 21.234 21.866 ( 4.072 -7.235 -37.048) 37.967 22.687 ( -0.294 -1.134 -17.522) 17.562 23.252 ( 20.374 -28.820 19.989) 40.562 23.928 ( 20.134 -4.350 -7.196) 21.819 24.162 ( -15.576 17.817 11.746) 26.420 24.564 ( -21.817 10.171 -4.095) 24.417 25.205 ( -2.974 1.320 0.008) 3.254 25.521 ( -2.017 2.276 5.534) 6.314 26.049 ( -2.582 0.092 -2.408) 3.531 ======================= Grid point 11 (9/96) ======================= q-point: ( 0.01 -0.01 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -1.333 0.740 -0.000) 1.525 1.904 ( -12.583 -10.349 0.000) 16.292 2.504 ( -24.007 4.605 -0.000) 24.444 2.660 ( 5.326 4.827 -0.000) 7.188 2.845 ( 8.260 -5.648 0.000) 10.006 2.895 ( -1.280 -0.481 0.000) 1.368 3.195 ( -2.850 0.413 -0.000) 2.879 3.374 ( -0.086 0.123 -0.000) 0.150 3.387 ( -1.996 -3.564 0.000) 4.085 3.459 ( -0.367 -0.355 0.000) 0.511 3.615 ( -3.663 2.463 -0.000) 4.414 3.739 ( 4.671 3.288 -0.000) 5.712 3.920 ( 1.256 -0.547 0.000) 1.370 4.294 ( -5.081 -12.059 0.000) 13.086 4.322 ( 1.417 1.612 -0.000) 2.146 4.475 ( -15.625 -11.736 0.000) 19.541 4.792 ( -4.486 -7.567 0.000) 8.797 5.068 ( -0.042 -5.585 0.000) 5.585 5.200 ( 1.766 4.468 -0.000) 4.804 5.730 ( -1.101 -4.246 0.000) 4.387 5.832 ( 1.515 2.229 -0.000) 2.696 5.881 ( -12.032 -6.543 0.000) 13.696 6.071 ( 5.911 16.991 -0.000) 17.990 6.510 ( -0.281 3.767 -0.000) 3.778 6.622 ( 12.070 3.200 -0.000) 12.487 7.008 ( -18.357 -17.467 0.000) 25.339 7.126 ( 0.915 1.339 -0.000) 1.621 7.373 ( -0.991 -2.708 0.000) 2.884 7.553 ( -8.080 -4.601 0.000) 9.298 7.721 ( 1.377 6.672 -0.000) 6.812 7.855 ( 4.167 -1.993 0.000) 4.619 7.966 ( 12.219 11.249 -0.000) 16.609 8.769 ( 2.401 9.435 -0.000) 9.736 8.992 ( -2.713 -9.005 0.000) 9.405 9.262 ( 6.514 7.526 -0.000) 9.954 9.516 ( -0.168 3.503 -0.000) 3.507 9.992 ( -5.324 -6.552 0.000) 8.443 10.214 ( 4.287 5.698 -0.000) 7.131 10.647 ( -1.765 -19.675 0.000) 19.754 11.211 ( -0.504 20.429 -0.000) 20.435 11.265 ( -5.793 -0.982 -0.000) 5.875 11.599 ( -22.666 -5.733 0.000) 23.380 11.641 ( -1.814 -3.919 0.000) 4.319 11.783 ( -18.190 -2.117 -0.000) 18.313 11.996 ( 5.506 0.063 0.000) 5.507 12.167 ( 14.753 10.908 -0.000) 18.347 12.294 ( 21.639 4.883 -0.000) 22.184 12.344 ( -2.111 -0.245 -0.000) 2.125 13.045 ( 1.886 -0.808 0.000) 2.052 13.921 ( -6.110 -5.685 0.000) 8.345 14.229 ( 2.685 1.849 -0.000) 3.260 14.605 ( -1.120 -1.836 0.000) 2.151 14.837 ( 4.600 7.756 -0.000) 9.018 15.750 ( 0.645 -0.163 0.000) 0.665 16.374 ( -1.300 3.314 -0.000) 3.560 16.754 ( 0.366 -4.066 0.000) 4.082 16.940 ( -27.761 -2.939 -0.000) 27.917 17.441 ( -2.771 0.219 -0.000) 2.779 17.457 ( 11.536 4.107 -0.000) 12.245 18.082 ( -7.010 -13.445 0.000) 15.163 19.572 ( 5.340 -0.871 0.000) 5.411 20.840 ( 16.567 20.873 -0.000) 26.648 21.867 ( 1.143 1.769 -0.000) 2.107 22.486 ( 2.520 1.359 -0.000) 2.863 22.851 ( -0.192 0.580 -0.000) 0.611 23.267 ( 7.080 -4.598 0.000) 8.442 23.749 ( 0.586 1.433 -0.000) 1.548 24.166 ( -23.299 12.864 -0.000) 26.614 24.479 ( 23.206 -6.803 0.000) 24.183 25.282 ( -1.162 -0.259 0.000) 1.190 25.307 ( -2.761 -3.030 0.000) 4.099 26.033 ( -1.562 -4.159 0.000) 4.443 ======================= Grid point 12 (10/96) ======================= q-point: (-0.13 -0.01 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.092 -18.700 -1.684) 18.776 1.914 ( -16.494 -15.168 -8.297) 23.895 2.038 ( -10.926 -2.151 -17.775) 20.975 2.626 ( -2.054 1.593 6.998) 7.465 2.792 ( -4.661 0.392 2.348) 5.233 2.979 ( -7.452 2.319 -1.859) 8.023 3.148 ( -1.797 -1.955 -1.273) 2.945 3.321 ( -0.844 -5.559 0.749) 5.672 3.382 ( 2.072 -4.151 2.965) 5.506 3.555 ( 1.870 -7.907 -2.057) 8.381 3.585 ( -5.747 -4.164 -5.695) 9.099 3.791 ( -4.186 -1.271 -12.727) 13.457 3.997 ( -2.588 -13.384 -5.122) 14.563 4.138 ( -8.493 -13.625 -9.567) 18.689 4.331 ( 2.785 0.276 4.392) 5.208 4.491 ( 6.579 -1.027 -3.462) 7.505 4.758 ( -2.958 -9.349 -3.617) 10.451 5.046 ( 1.350 -6.130 2.367) 6.709 5.240 ( 2.075 0.146 -0.170) 2.087 5.498 ( -10.169 -4.937 3.517) 11.839 5.679 ( -1.042 -5.497 1.796) 5.877 6.036 ( 0.460 7.397 0.979) 7.476 6.272 ( 5.934 2.046 -7.235) 9.579 6.429 ( -7.864 6.247 0.449) 10.054 6.485 ( -10.018 -9.528 3.136) 14.177 6.864 ( -7.928 -4.641 -2.934) 9.644 7.069 ( 1.514 2.932 5.503) 6.416 7.361 ( -5.524 -5.613 3.206) 8.503 7.394 ( 1.217 6.930 5.547) 8.959 7.564 ( 11.522 2.230 5.870) 13.122 7.964 ( 5.279 2.442 -0.428) 5.832 8.309 ( 2.063 7.834 -9.517) 12.498 8.786 ( 0.050 1.562 3.393) 3.735 8.990 ( 1.298 2.215 -2.594) 3.650 9.320 ( 0.646 2.684 6.399) 6.969 9.502 ( 1.870 3.990 0.044) 4.407 9.853 ( -7.309 -3.575 2.715) 8.577 10.208 ( 0.954 5.604 6.608) 8.716 10.483 ( -5.969 -9.753 12.511) 16.950 10.762 ( -36.765 23.960 -0.754) 43.889 10.900 ( -12.622 -3.868 9.578) 16.310 11.284 ( -5.084 -7.694 6.855) 11.491 11.521 ( -7.264 4.060 0.433) 8.333 11.718 ( -0.492 -6.993 -3.825) 7.986 12.037 ( -1.225 2.138 6.774) 7.208 12.260 ( 2.724 8.970 -4.474) 10.388 12.502 ( 6.739 5.641 -2.818) 9.229 12.705 ( 13.517 4.899 -2.947) 14.677 13.024 ( -4.990 3.210 0.290) 5.940 13.750 ( -2.371 -9.523 3.189) 10.318 14.202 ( 2.644 -0.300 7.806) 8.247 14.350 ( -1.075 0.207 13.742) 13.786 15.227 ( 8.211 7.278 -17.330) 20.511 15.852 ( -3.374 6.422 -12.391) 14.359 16.133 ( -13.978 2.150 5.515) 15.179 16.497 ( -12.629 0.495 -1.715) 12.754 16.895 ( -1.399 -8.089 -5.458) 9.858 17.191 ( -3.287 -6.631 3.234) 8.077 17.610 ( -10.192 -1.849 -12.288) 16.071 18.356 ( 15.511 -8.605 -11.447) 21.111 19.781 ( -1.697 -6.403 -12.545) 14.187 21.307 ( 20.060 22.887 3.729) 30.661 21.534 ( -2.003 10.144 25.965) 27.948 22.102 ( 4.610 13.574 24.349) 28.255 22.716 ( 1.296 0.416 15.289) 15.350 23.422 ( -17.354 27.242 -19.686) 37.826 23.592 ( -22.253 4.120 9.230) 24.441 24.135 ( 17.323 -20.326 -1.323) 26.739 24.743 ( 15.359 -10.917 7.620) 20.326 25.258 ( 5.673 -1.370 -7.061) 9.161 25.457 ( -0.884 -4.910 -7.650) 9.133 25.992 ( -0.387 -7.793 1.873) 8.024 ======================= Grid point 13 (11/96) ======================= q-point: (-0.27 -0.01 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -1.532 -20.426 -11.502) 23.492 1.676 ( -13.860 -5.638 -9.201) 17.566 2.256 ( -1.431 0.233 8.498) 8.621 2.351 ( -19.359 -2.015 2.278) 19.596 2.739 ( 2.040 -2.971 -3.935) 5.336 2.846 ( -1.837 -4.702 -11.046) 12.145 3.118 ( -4.622 -8.091 -4.809) 10.486 3.296 ( -2.323 -8.126 -3.176) 9.028 3.379 ( 2.236 0.064 2.978) 3.725 3.689 ( 2.027 -9.286 -8.598) 12.816 3.743 ( -0.577 0.083 -10.329) 10.346 3.974 ( -2.889 -9.097 -7.049) 11.865 4.129 ( 0.418 -6.342 -2.189) 6.722 4.204 ( -3.036 -0.832 -13.055) 13.429 4.365 ( 0.186 -5.908 -4.883) 7.667 4.589 ( -1.128 -0.716 5.508) 5.668 4.786 ( -2.422 -4.051 -12.150) 13.035 5.073 ( 3.180 -8.292 0.708) 8.909 5.267 ( 2.107 -0.724 6.417) 6.793 5.372 ( -2.417 -7.738 -2.104) 8.375 5.510 ( -6.001 0.090 6.199) 8.628 5.904 ( -0.990 -0.705 4.874) 5.023 6.126 ( -8.040 2.964 -4.067) 9.485 6.358 ( -0.325 -9.021 -3.519) 9.689 6.474 ( -16.034 -4.090 -1.066) 16.581 6.885 ( 6.516 14.852 -1.880) 16.327 7.055 ( 4.325 5.227 -1.061) 6.867 7.214 ( 0.514 -7.014 5.581) 8.979 7.456 ( 11.779 -0.395 -3.950) 12.430 7.768 ( 9.094 3.623 2.026) 9.997 8.114 ( 8.345 0.874 -0.602) 8.413 8.428 ( 4.171 -2.166 -1.431) 4.912 8.586 ( -11.322 -7.643 2.478) 13.883 8.970 ( -6.993 1.775 4.961) 8.756 9.207 ( -1.179 9.929 -0.778) 10.029 9.344 ( -20.679 7.087 6.904) 22.924 9.656 ( -11.481 -3.225 -4.900) 12.893 9.836 ( -11.530 5.397 8.216) 15.152 10.023 ( -3.005 1.245 11.332) 11.790 10.300 ( -9.380 8.109 2.474) 12.643 10.526 ( 0.350 5.588 18.091) 18.938 11.011 ( -8.182 -0.957 13.988) 16.233 11.305 ( -7.050 -0.986 1.539) 7.283 11.733 ( -3.999 -15.549 2.156) 16.199 11.837 ( 0.890 2.345 3.860) 4.604 12.328 ( -1.582 12.418 1.410) 12.598 12.609 ( -0.497 8.833 -7.629) 11.682 12.926 ( 5.770 2.575 1.398) 6.471 13.070 ( -1.366 0.573 -13.089) 13.172 13.733 ( 3.855 -9.499 3.602) 10.865 14.002 ( -3.355 -10.823 8.634) 14.245 14.158 ( 2.638 8.570 6.079) 10.833 15.756 ( 11.127 9.949 -11.424) 18.796 15.855 ( -6.434 1.176 -0.177) 6.543 16.049 ( -1.780 5.624 -7.751) 9.740 16.378 ( -2.244 -4.266 2.349) 5.362 16.814 ( -9.891 0.504 -11.721) 15.345 17.338 ( 3.577 -15.004 -3.446) 15.805 17.722 ( -7.478 2.382 -20.997) 22.416 19.026 ( 14.836 -4.794 -24.225) 28.808 19.946 ( -5.765 -8.528 -7.149) 12.533 20.368 ( -14.203 -2.442 42.044) 44.446 21.362 ( 10.230 17.933 31.388) 37.569 21.956 ( -8.849 6.753 25.754) 28.057 22.527 ( 15.588 24.475 -11.141) 31.082 23.123 ( -3.608 -5.697 5.283) 8.567 23.477 ( -12.604 22.078 -14.232) 29.135 24.008 ( -2.414 -22.795 20.063) 30.462 25.165 ( 15.398 -13.718 -10.393) 23.093 25.496 ( -2.808 -5.053 -9.178) 10.847 25.668 ( 7.545 3.411 -6.860) 10.753 25.937 ( -0.497 -8.128 3.069) 8.702 ======================= Grid point 14 (12/96) ======================= q-point: ( 0.17 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.000 20.293 19.879) 28.408 0.931 ( 0.000 23.999 15.991) 28.839 1.718 ( 0.000 40.933 37.360) 55.418 2.165 ( 0.000 -0.556 -1.368) 1.476 2.331 ( 0.000 10.570 -2.783) 10.930 2.663 ( 0.000 1.875 1.325) 2.296 2.904 ( -0.000 -8.119 1.459) 8.250 3.151 ( -0.000 2.491 5.354) 5.905 3.444 ( -0.000 0.148 1.243) 1.252 3.537 ( -0.000 -5.580 4.222) 6.998 3.537 ( 0.000 4.811 3.879) 6.180 3.687 ( -0.000 3.803 4.395) 5.812 3.766 ( 0.000 7.497 5.829) 9.497 3.870 ( 0.000 11.118 10.713) 15.440 4.224 ( 0.000 3.017 -1.653) 3.440 4.596 ( -0.000 -6.823 6.503) 9.425 4.692 ( 0.000 10.337 -3.177) 10.814 4.729 ( 0.000 22.020 -6.413) 22.935 5.303 ( 0.000 6.929 -8.619) 11.059 5.379 ( 0.000 4.619 -4.427) 6.398 5.415 ( -0.000 -0.175 2.852) 2.857 5.638 ( -0.000 2.522 11.818) 12.084 5.985 ( 0.000 19.916 -0.344) 19.919 6.185 ( 0.000 -7.283 -11.384) 13.514 6.375 ( -0.000 -1.437 2.158) 2.593 6.936 ( 0.000 4.118 3.635) 5.492 7.241 ( -0.000 -6.050 0.206) 6.054 7.553 ( -0.000 -14.381 -8.418) 16.664 7.802 ( -0.000 -12.401 8.474) 15.019 7.810 ( -0.000 -2.500 3.383) 4.206 8.201 ( 0.000 -0.263 -2.918) 2.930 8.321 ( 0.000 -1.621 -3.700) 4.039 8.544 ( 0.000 2.444 0.628) 2.524 8.823 ( -0.000 -7.179 10.010) 12.318 8.859 ( 0.000 9.212 -2.743) 9.612 9.537 ( -0.000 -19.859 -0.445) 19.864 9.542 ( -0.000 -4.140 -0.987) 4.256 10.007 ( 0.000 -2.446 -4.194) 4.855 10.299 ( 0.000 -3.106 -11.110) 11.537 10.334 ( 0.000 8.614 -2.312) 8.919 10.879 ( -0.000 -17.025 7.386) 18.558 10.969 ( 0.000 12.278 -5.140) 13.310 11.394 ( -0.000 -5.789 -5.205) 7.785 11.499 ( 0.000 7.110 -5.402) 8.930 12.043 ( 0.000 -2.375 -6.312) 6.744 12.552 ( -0.000 -7.917 -4.114) 8.923 12.703 ( -0.000 -9.762 -1.574) 9.888 12.846 ( -0.000 -1.758 8.383) 8.565 13.072 ( -0.000 -2.567 -0.894) 2.718 13.483 ( 0.000 21.583 -4.016) 21.954 13.917 ( 0.000 15.900 -8.187) 17.883 14.465 ( 0.000 -4.636 -8.838) 9.980 15.789 ( -0.000 -0.937 0.499) 1.061 15.806 ( -0.000 -7.820 16.339) 18.114 16.128 ( 0.000 -1.834 -2.288) 2.932 16.275 ( -0.000 -34.267 31.810) 46.755 16.466 ( 0.000 21.815 -11.055) 24.457 17.057 ( 0.000 10.771 0.304) 10.775 17.335 ( -0.000 -0.540 13.453) 13.464 18.707 ( -0.000 0.891 13.616) 13.645 19.540 ( -0.000 -0.098 11.527) 11.527 21.196 ( 0.000 14.471 -55.186) 57.052 22.215 ( 0.000 14.454 -19.940) 24.628 22.384 ( 0.000 -18.402 -21.528) 28.322 22.857 ( 0.000 0.708 -7.570) 7.603 23.230 ( -0.000 -24.674 15.026) 28.889 23.301 ( -0.000 -14.667 18.120) 23.312 24.071 ( 0.000 20.729 -23.157) 31.079 24.992 ( 0.000 13.758 4.864) 14.592 25.082 ( 0.000 7.604 1.509) 7.752 25.521 ( -0.000 -0.333 15.064) 15.068 25.773 ( 0.000 9.869 0.615) 9.888 ======================= Grid point 15 (13/96) ======================= q-point: ( 0.03 -0.03 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 21.667 20.861 -0.000) 30.077 0.860 ( 18.557 25.541 -0.000) 31.571 1.537 ( 20.579 25.417 -0.000) 32.703 2.313 ( 17.206 17.373 -0.000) 24.451 2.612 ( 14.555 3.656 -0.000) 15.007 2.693 ( 3.922 1.203 -0.000) 4.103 2.954 ( -2.430 -2.017 0.000) 3.158 3.155 ( 11.152 -3.102 0.000) 11.575 3.371 ( -0.303 0.468 -0.000) 0.557 3.498 ( 1.793 -7.361 0.000) 7.577 3.510 ( -4.023 6.303 -0.000) 7.477 3.606 ( 3.660 -4.776 0.000) 6.017 3.679 ( -4.284 9.414 -0.000) 10.343 3.803 ( 3.258 10.805 -0.000) 11.285 4.293 ( 4.914 6.392 -0.000) 8.062 4.513 ( -1.695 -3.346 0.000) 3.751 4.659 ( -7.929 1.738 -0.000) 8.117 4.863 ( 2.773 15.708 -0.000) 15.951 5.197 ( 1.207 7.312 -0.000) 7.410 5.370 ( 0.567 2.118 -0.000) 2.192 5.442 ( 1.319 9.374 -0.000) 9.466 5.783 ( 12.240 12.174 -0.000) 17.264 6.253 ( -6.510 -3.857 0.000) 7.567 6.417 ( 7.210 -7.276 0.000) 10.243 6.568 ( -2.472 -11.369 0.000) 11.635 6.709 ( 6.099 -1.034 0.000) 6.186 7.102 ( 3.198 10.213 -0.000) 10.702 7.245 ( 1.210 -2.726 0.000) 2.983 7.720 ( -7.659 -11.997 0.000) 14.233 8.047 ( -18.719 4.588 -0.000) 19.273 8.114 ( -4.926 -2.588 0.000) 5.565 8.343 ( -1.326 -4.054 0.000) 4.265 8.788 ( 1.195 8.456 -0.000) 8.540 9.135 ( 20.233 6.996 -0.000) 21.408 9.136 ( 13.421 -33.497 0.000) 36.086 9.522 ( 2.476 -7.889 0.000) 8.269 9.965 ( -7.942 -0.596 -0.000) 7.964 10.314 ( 29.328 -18.150 0.000) 34.490 10.396 ( 17.314 3.712 -0.000) 17.708 10.413 ( -0.644 -4.200 0.000) 4.249 10.655 ( 11.336 -0.144 0.000) 11.337 11.314 ( 20.255 -17.608 0.000) 26.839 11.481 ( 2.734 -2.418 0.000) 3.650 11.557 ( -1.407 6.746 -0.000) 6.891 12.125 ( 1.607 -2.549 0.000) 3.014 12.428 ( -7.190 -9.113 0.000) 11.608 12.747 ( -0.187 -12.281 0.000) 12.283 12.993 ( -8.487 -2.924 0.000) 8.976 13.061 ( 10.139 -7.768 0.000) 12.773 13.476 ( -5.606 16.726 -0.000) 17.640 14.108 ( 1.185 20.222 -0.000) 20.256 14.584 ( -0.201 -4.535 0.000) 4.539 15.445 ( -9.838 -15.921 0.000) 18.715 15.759 ( 4.187 -10.947 0.000) 11.721 15.888 ( 11.308 -0.893 0.000) 11.343 16.383 ( 12.760 -10.804 0.000) 16.720 16.640 ( -2.987 18.633 -0.000) 18.871 17.009 ( -0.678 14.795 -0.000) 14.810 17.224 ( 5.901 -0.750 0.000) 5.948 18.454 ( -11.094 0.812 -0.000) 11.124 19.551 ( 8.667 -4.289 0.000) 9.670 21.977 ( -1.127 -2.368 0.000) 2.622 22.308 ( -19.042 -30.103 0.000) 35.620 22.697 ( -0.172 -11.656 0.000) 11.658 22.905 ( -3.732 2.736 -0.000) 4.627 23.307 ( 13.164 -18.121 0.000) 22.397 23.486 ( 34.360 -33.024 0.000) 47.657 24.124 ( -20.088 23.349 -0.000) 30.801 24.999 ( 4.170 9.713 -0.000) 10.571 25.113 ( -7.810 3.960 -0.000) 8.756 25.242 ( -4.509 1.177 -0.000) 4.660 25.783 ( 1.857 11.132 -0.000) 11.286 ======================= Grid point 16 (14/96) ======================= q-point: (-0.11 -0.03 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 18.965 -4.593 -6.922) 20.704 1.605 ( 13.872 12.487 -19.079) 26.691 2.109 ( 25.560 -4.418 -9.607) 27.661 2.587 ( 5.410 10.137 2.696) 11.803 2.792 ( 5.121 0.510 1.358) 5.322 2.907 ( 22.874 11.869 -2.345) 25.876 3.001 ( -2.408 2.221 -8.152) 8.785 3.275 ( 2.132 -1.348 2.856) 3.811 3.324 ( -3.838 1.567 3.801) 5.624 3.455 ( -1.310 2.396 0.149) 2.735 3.594 ( 2.213 1.436 -7.615) 8.059 3.667 ( 4.373 7.425 -1.528) 8.751 3.884 ( 10.075 -4.662 -9.772) 14.789 4.057 ( 5.559 1.069 -10.040) 11.526 4.340 ( -1.974 -2.511 1.728) 3.632 4.540 ( -2.330 -0.096 -6.628) 7.027 4.599 ( 4.146 1.788 -7.853) 9.059 4.880 ( 1.662 8.279 1.848) 8.644 5.252 ( 1.384 -1.836 0.664) 2.393 5.426 ( 9.390 2.467 2.266) 9.969 5.569 ( 7.211 5.504 -2.483) 9.405 6.133 ( 0.721 2.732 -1.325) 3.120 6.196 ( 6.303 12.589 -7.931) 16.159 6.324 ( 4.609 -3.587 10.959) 12.418 6.558 ( 9.158 -2.103 2.592) 9.747 6.859 ( -5.237 -4.074 -5.500) 8.618 7.121 ( -1.257 -3.037 5.769) 6.640 7.266 ( 5.177 4.092 3.033) 7.262 7.488 ( -10.189 -2.619 -2.348) 10.779 7.633 ( -5.922 -4.123 15.936) 17.494 7.956 ( -9.154 2.089 2.647) 9.755 8.402 ( -0.922 -2.366 -6.005) 6.520 8.689 ( 1.262 6.243 7.813) 10.080 9.235 ( -1.722 -15.723 -4.213) 16.368 9.381 ( 5.553 -3.702 3.508) 7.540 9.604 ( -2.402 -7.067 -0.890) 7.517 9.776 ( 1.772 3.859 1.799) 4.612 10.232 ( -1.385 15.759 2.911) 16.086 10.299 ( -1.441 -3.671 7.866) 8.799 10.825 ( 13.714 3.145 12.292) 18.683 11.013 ( 26.005 2.480 5.304) 26.656 11.301 ( 5.407 -9.428 12.660) 16.685 11.448 ( -0.342 7.169 1.581) 7.350 11.877 ( 9.151 -20.992 -8.491) 24.423 12.110 ( 3.450 -5.897 5.792) 8.957 12.371 ( -6.168 -3.051 -7.065) 9.862 12.640 ( -11.719 -7.237 0.326) 13.777 12.797 ( -12.686 -4.922 -3.500) 14.050 13.009 ( -0.955 6.327 4.647) 7.908 13.571 ( 9.885 8.385 0.784) 12.986 14.082 ( 5.690 8.885 6.709) 12.503 14.405 ( -2.515 -3.354 12.166) 12.868 15.431 ( -10.776 -13.532 -12.477) 21.329 15.888 ( -3.897 3.578 -9.307) 10.705 16.179 ( 14.176 -2.847 5.954) 15.637 16.396 ( 8.958 9.239 6.023) 14.208 16.856 ( 5.004 -2.863 -16.054) 17.058 17.054 ( 10.696 6.483 4.503) 13.293 17.600 ( 13.645 -0.353 -16.956) 21.768 18.256 ( -20.122 2.551 -10.911) 23.031 19.712 ( 0.434 1.169 -7.903) 8.000 21.474 ( -0.947 -2.403 35.720) 35.813 21.990 ( -19.382 -27.738 3.228) 33.992 22.355 ( -11.082 -12.490 12.710) 20.985 22.693 ( -2.862 2.829 14.304) 14.859 23.595 ( -8.650 10.823 -3.890) 14.390 23.707 ( 17.119 1.586 15.264) 22.991 23.986 ( 12.760 -15.338 -11.562) 23.060 24.547 ( -11.560 8.698 15.470) 21.180 25.241 ( -5.333 0.479 -8.195) 9.789 25.377 ( 3.083 3.304 -10.855) 11.758 25.832 ( 3.158 8.080 0.559) 8.693 ======================= Grid point 17 (15/96) ======================= q-point: (-0.26 -0.03 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 9.310 -11.226 -1.014) 14.620 1.939 ( 5.684 3.868 4.862) 8.421 2.729 ( 10.758 -2.779 -6.227) 12.737 2.815 ( 7.076 0.603 -6.492) 9.622 2.880 ( 7.013 0.065 -4.345) 8.250 2.990 ( -6.827 3.036 -1.710) 7.665 3.175 ( -1.169 -3.161 0.629) 3.429 3.300 ( 6.176 -1.141 -4.290) 7.606 3.348 ( 2.869 3.006 -3.339) 5.331 3.393 ( 0.978 5.699 -0.382) 5.795 3.825 ( -2.508 7.973 -8.731) 12.086 3.978 ( 13.516 4.258 -8.684) 16.620 4.064 ( -0.019 4.072 -0.381) 4.090 4.303 ( 5.726 2.555 -6.865) 9.297 4.500 ( 3.173 -11.511 -14.181) 18.538 4.707 ( -0.167 -3.594 -9.918) 10.551 4.745 ( -1.203 0.815 -0.575) 1.563 4.982 ( 5.709 1.830 1.663) 6.222 5.261 ( -1.435 -0.003 -3.153) 3.464 5.530 ( 6.830 -2.223 7.884) 10.665 5.795 ( 11.385 -6.018 -1.705) 12.990 6.134 ( 7.479 -1.160 9.240) 11.944 6.184 ( -8.396 2.612 -9.036) 12.608 6.292 ( 0.071 3.936 3.310) 5.143 6.688 ( -4.359 -4.062 16.996) 18.010 6.866 ( 3.649 -4.906 -7.946) 10.026 7.068 ( 11.058 11.400 -2.692) 16.108 7.157 ( -8.189 -1.013 9.117) 12.296 7.300 ( -2.506 -2.982 1.309) 4.110 7.544 ( 3.506 1.793 -5.896) 7.090 7.769 ( -0.985 12.205 1.349) 12.319 8.372 ( -8.790 -3.076 1.676) 9.462 8.648 ( 6.364 1.986 1.203) 6.774 9.158 ( -7.877 -5.797 3.122) 10.266 9.287 ( -4.410 -12.179 4.477) 13.705 9.527 ( 2.977 -3.118 4.982) 6.588 9.920 ( 1.535 0.467 -3.977) 4.289 10.066 ( -2.439 -0.529 8.077) 8.454 10.130 ( -0.685 5.993 6.565) 8.915 10.586 ( 1.698 8.067 17.984) 19.783 11.202 ( 2.192 0.545 4.096) 4.678 11.316 ( 13.709 6.471 8.783) 17.520 11.631 ( 14.167 6.402 -5.282) 16.419 11.984 ( -0.452 -5.018 4.113) 6.504 12.040 ( -2.107 -10.101 3.149) 10.788 12.248 ( -14.014 -1.787 2.066) 14.277 12.538 ( -6.445 -10.347 -9.372) 15.376 12.687 ( -3.961 -5.572 -4.388) 8.124 13.042 ( 1.193 7.021 -7.410) 10.277 13.616 ( 2.044 3.403 6.459) 7.582 14.033 ( -0.273 -2.345 6.633) 7.041 14.122 ( 0.932 1.510 8.811) 8.988 15.448 ( -6.318 -3.909 -7.061) 10.250 15.869 ( -4.071 10.670 4.612) 12.316 16.228 ( -0.777 -2.941 -8.380) 8.915 16.638 ( 17.815 -0.139 8.857) 19.895 17.200 ( 2.213 -1.186 -9.279) 9.613 17.260 ( 5.482 1.518 -4.072) 6.996 18.145 ( -17.522 0.842 -26.907) 32.120 18.514 ( 26.305 -0.653 -23.771) 35.461 19.935 ( -3.943 8.011 -15.574) 17.952 20.701 ( 3.444 3.093 38.515) 38.792 21.150 ( -16.691 -13.477 33.152) 39.488 22.038 ( -14.306 3.033 10.619) 18.073 22.279 ( -12.329 -18.167 -0.418) 21.960 23.440 ( 3.372 -0.737 9.953) 10.534 23.672 ( -5.064 12.282 5.173) 14.257 24.122 ( 3.835 13.158 9.665) 16.771 24.634 ( 14.801 -16.021 -16.991) 27.648 25.289 ( -7.702 0.868 -6.761) 10.286 25.583 ( 3.004 -1.751 -4.183) 5.440 25.868 ( 2.995 5.488 2.298) 6.661 ======================= Grid point 18 (16/96) ======================= q-point: ( 0.60 -0.03 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 2.854 -4.467 3.280) 6.233 1.854 ( 5.153 -6.394 7.604) 11.192 2.795 ( -9.772 2.434 -5.236) 11.350 2.861 ( -4.425 -0.067 -0.750) 4.489 2.888 ( -3.846 1.495 0.523) 4.159 3.116 ( 5.639 2.740 0.350) 6.279 3.134 ( -8.315 -0.540 -0.423) 8.343 3.343 ( 8.771 -0.012 5.254) 10.224 3.541 ( 5.001 4.134 -5.520) 8.519 3.600 ( 5.053 8.180 2.853) 10.029 3.838 ( -5.699 -6.626 -9.930) 13.228 4.114 ( 2.062 3.110 2.420) 4.448 4.374 ( 1.774 -4.853 -3.734) 6.375 4.497 ( -0.724 -0.021 -4.070) 4.134 4.570 ( 4.391 1.041 4.507) 6.378 4.675 ( -0.923 -0.530 4.590) 4.712 5.011 ( 0.642 -3.885 -4.535) 6.006 5.078 ( -2.829 -3.494 -12.002) 12.817 5.208 ( -0.248 1.092 -4.441) 4.580 5.509 ( 4.378 -6.375 2.893) 8.257 5.757 ( -4.687 -2.102 7.313) 8.937 5.913 ( -1.206 2.756 22.746) 22.944 6.239 ( -6.072 -2.359 -7.685) 10.075 6.420 ( -6.399 3.376 -8.424) 11.104 6.488 ( 12.712 -3.393 0.228) 13.159 6.744 ( -3.430 1.220 12.387) 12.911 7.008 ( 0.841 -2.960 -6.067) 6.803 7.184 ( 4.579 -0.035 5.938) 7.499 7.503 ( 7.850 6.138 -9.611) 13.844 7.640 ( 2.784 6.837 6.294) 9.701 7.984 ( 0.761 1.428 -6.008) 6.223 8.037 ( -4.515 0.409 4.541) 6.417 8.807 ( -7.024 -1.370 1.225) 7.261 8.901 ( 4.638 0.211 -0.609) 4.683 9.193 ( -3.413 -10.570 -3.723) 11.714 9.397 ( 1.025 -7.332 10.064) 12.493 9.879 ( -1.509 0.703 0.783) 1.840 9.947 ( -3.505 3.533 0.766) 5.036 9.983 ( -8.932 3.085 -1.669) 9.596 10.382 ( 6.553 4.487 10.061) 12.818 11.041 ( -17.408 4.568 -2.958) 18.238 11.315 ( 1.771 5.820 6.812) 9.133 11.754 ( -14.486 -2.500 -0.180) 14.702 11.863 ( -8.768 -6.854 0.391) 11.136 11.968 ( -4.954 2.276 -0.664) 5.493 12.113 ( 14.211 2.976 -1.227) 14.571 12.621 ( -0.770 -10.031 -6.393) 11.920 12.777 ( 5.767 -5.593 -0.633) 8.058 13.280 ( 2.041 2.370 -10.330) 10.794 13.445 ( -1.279 3.669 9.459) 10.226 13.850 ( -7.828 0.656 -0.604) 7.879 14.080 ( 7.156 -1.986 6.288) 9.731 15.528 ( -0.644 4.384 -7.804) 8.974 15.714 ( 1.887 6.481 6.033) 9.053 16.341 ( -6.933 -2.465 -6.788) 10.011 16.667 ( 6.127 -6.287 10.482) 13.672 17.193 ( -13.288 4.498 -5.951) 15.239 17.471 ( 10.312 -1.563 0.387) 10.437 18.603 ( -8.305 3.641 -37.596) 38.674 19.449 ( 13.200 -5.221 -10.657) 17.750 19.670 ( -13.415 -3.425 27.596) 30.874 20.072 ( 5.089 -10.970 18.423) 22.037 20.883 ( 12.752 24.910 -20.667) 34.788 21.288 ( -7.530 16.795 33.474) 38.200 22.236 ( -25.602 -32.337 -25.237) 48.353 23.250 ( 14.858 -21.769 25.213) 36.474 23.468 ( -22.501 27.000 -17.238) 39.146 24.234 ( 21.362 12.991 9.323) 26.684 25.077 ( -5.651 -7.413 -0.086) 9.322 25.282 ( 12.961 -8.142 -3.507) 15.703 25.701 ( -0.082 0.225 -3.913) 3.920 25.842 ( 2.908 4.296 5.605) 7.637 ======================= Grid point 20 (17/96) ======================= q-point: ( 0.46 -0.03 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -2.820 -0.479 7.715) 8.228 1.876 ( 2.320 -1.354 3.364) 4.305 2.527 ( -18.637 1.751 4.827) 19.331 2.682 ( -21.255 -0.290 -4.883) 21.810 2.778 ( -2.061 1.063 2.360) 3.309 3.039 ( -3.014 -2.902 -4.174) 5.910 3.176 ( 5.056 0.761 2.360) 5.631 3.350 ( -5.723 8.776 16.475) 19.525 3.434 ( 6.080 -2.107 6.683) 9.277 3.649 ( 4.232 2.779 8.001) 9.468 3.815 ( -2.942 8.591 -0.531) 9.096 4.079 ( 2.262 -6.420 3.123) 7.489 4.189 ( -1.385 0.440 15.026) 15.096 4.369 ( -5.649 2.228 0.975) 6.150 4.608 ( -1.004 1.350 2.323) 2.868 4.650 ( -1.455 -5.610 3.981) 7.032 4.882 ( -4.713 3.433 4.576) 7.412 5.222 ( -0.305 -2.464 -1.536) 2.919 5.253 ( -0.590 1.519 22.003) 22.063 5.448 ( 1.703 -5.218 -0.966) 5.574 5.569 ( -9.089 -4.154 0.380) 10.000 5.673 ( -6.665 4.216 -15.531) 17.418 6.206 ( -1.013 3.630 -1.174) 3.947 6.395 ( -8.912 5.402 -2.083) 10.627 6.525 ( -0.523 5.042 3.135) 5.960 6.845 ( 12.039 -8.969 -8.175) 17.094 7.066 ( 1.373 -8.511 7.923) 11.709 7.292 ( 5.662 -6.993 -3.018) 9.491 7.378 ( -1.441 7.066 13.784) 15.557 7.715 ( 3.685 -0.178 5.387) 6.529 7.765 ( 7.955 14.478 -0.945) 16.546 8.334 ( 1.118 -1.740 -9.332) 9.558 8.543 ( -6.744 4.712 2.064) 8.483 9.119 ( -4.616 -6.728 -4.952) 9.545 9.214 ( 1.189 -2.784 -6.837) 7.477 9.387 ( 0.726 -4.142 -5.353) 6.808 9.782 ( -13.302 6.161 -4.559) 15.352 9.896 ( -2.329 -0.370 -4.957) 5.489 10.084 ( 0.722 0.845 -14.912) 14.954 10.267 ( -3.854 -8.604 6.050) 11.202 10.726 ( -20.952 6.596 -5.865) 22.736 11.141 ( -6.749 -1.665 2.758) 7.479 11.479 ( -15.239 1.314 -3.325) 15.652 11.690 ( -13.265 -3.099 -4.694) 14.409 11.842 ( -5.187 -0.393 -1.706) 5.475 12.469 ( 11.731 -6.761 -3.077) 13.885 12.738 ( 3.407 -6.194 -1.278) 7.184 12.888 ( 5.780 -7.009 1.879) 9.277 13.221 ( 1.089 6.967 11.126) 13.173 13.471 ( -0.865 4.701 -5.440) 7.241 13.766 ( -8.323 6.746 -6.971) 12.782 14.139 ( 6.372 -4.255 0.917) 7.716 15.712 ( 6.088 5.293 -2.008) 8.313 15.749 ( 4.477 4.071 -5.046) 7.879 16.211 ( -13.091 1.029 -2.009) 13.284 16.488 ( 0.175 -9.765 12.200) 15.628 17.080 ( -5.496 10.066 -0.898) 11.504 17.497 ( 1.124 -6.662 10.662) 12.622 18.534 ( -16.682 -0.318 27.201) 31.910 19.160 ( 14.927 -1.877 23.286) 27.723 19.528 ( -8.823 2.641 -35.987) 37.146 20.472 ( -7.967 11.134 27.001) 30.273 20.716 ( 11.328 -21.384 -35.054) 42.595 21.765 ( 17.329 26.564 -26.077) 41.060 22.220 ( -28.310 -16.807 -25.587) 41.697 23.158 ( 13.178 -20.038 9.569) 25.822 23.427 ( -11.325 16.884 -10.501) 22.883 24.426 ( 6.833 -3.975 6.828) 10.445 24.783 ( 5.292 5.292 16.023) 17.684 25.611 ( 5.223 -3.188 -0.320) 6.128 25.653 ( 3.950 2.496 7.228) 8.607 25.828 ( 2.358 2.143 1.394) 3.477 ======================= Grid point 21 (18/96) ======================= q-point: ( 0.31 -0.03 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.727 7.616 17.038) 20.199 1.549 ( -19.416 7.074 12.820) 24.319 2.205 ( 0.150 3.988 5.878) 7.105 2.340 ( -18.658 -0.840 -4.568) 19.227 2.623 ( -12.906 15.713 24.110) 31.540 2.712 ( -1.188 0.598 1.839) 2.269 3.058 ( -4.480 -3.074 1.641) 5.676 3.237 ( 2.909 0.434 2.740) 4.020 3.394 ( 0.123 -0.478 3.174) 3.212 3.580 ( 5.489 1.606 6.177) 8.418 3.736 ( 0.422 3.370 4.757) 5.845 3.825 ( -1.480 4.341 14.041) 14.772 4.036 ( 1.807 1.390 14.452) 14.631 4.186 ( -3.771 3.210 8.675) 9.989 4.311 ( -7.726 -0.666 8.730) 11.677 4.576 ( -3.196 1.237 -4.895) 5.975 4.752 ( -0.786 3.649 10.422) 11.070 4.787 ( -5.166 12.061 0.209) 13.123 5.260 ( -2.367 -2.432 6.577) 7.401 5.315 ( -0.471 0.995 -1.160) 1.599 5.514 ( -2.077 0.809 -0.531) 2.291 5.915 ( -2.101 -0.987 -13.021) 13.226 6.081 ( -8.308 5.939 11.903) 15.684 6.239 ( -9.486 6.680 0.180) 11.604 6.379 ( -1.328 3.292 2.309) 4.234 7.035 ( -2.937 -0.201 -0.275) 2.957 7.170 ( 2.973 -2.510 -1.288) 4.098 7.218 ( 9.806 -11.921 -4.047) 15.957 7.476 ( 14.223 -0.977 2.699) 14.510 7.852 ( 12.614 -4.592 -2.426) 13.641 8.054 ( 13.014 5.405 -4.407) 14.765 8.370 ( -7.390 2.520 -1.548) 7.960 8.494 ( -3.633 3.615 -4.118) 6.575 8.954 ( -17.224 1.996 -4.411) 17.892 9.370 ( -6.664 -7.858 -4.062) 11.075 9.476 ( -14.826 -4.017 -7.778) 17.217 9.620 ( -5.948 0.302 -5.514) 8.116 9.984 ( -8.298 -7.717 -4.664) 12.254 10.067 ( -4.901 -4.224 -8.811) 10.932 10.380 ( -2.574 1.638 -1.862) 3.574 10.599 ( 0.446 -0.384 -12.091) 12.105 11.035 ( -6.517 -4.813 -5.426) 9.750 11.357 ( -10.686 -2.638 -10.288) 15.066 11.517 ( -12.891 1.138 -4.512) 13.705 11.892 ( -0.732 -2.234 -7.513) 7.872 12.547 ( -0.454 -10.668 4.324) 11.520 12.795 ( 2.776 -9.443 4.415) 10.788 12.973 ( 4.091 -2.325 -2.577) 5.365 13.050 ( 1.481 2.485 9.436) 9.869 13.466 ( -2.415 16.857 0.010) 17.029 13.806 ( -4.490 9.544 -8.257) 13.395 14.282 ( 3.163 -4.308 -5.268) 7.504 15.863 ( -3.460 -0.589 -0.714) 3.582 15.901 ( 10.717 -3.144 2.077) 11.360 16.121 ( -0.551 10.741 -6.020) 12.325 16.205 ( -1.977 -5.114 9.654) 11.103 16.954 ( -1.462 -0.400 12.718) 12.808 17.139 ( -3.706 -2.620 12.790) 13.572 17.765 ( -7.395 -1.705 21.826) 23.108 18.970 ( 15.278 1.505 25.137) 29.454 19.842 ( -7.070 2.157 10.509) 12.848 20.319 ( -15.388 3.081 -50.814) 53.182 21.654 ( 4.546 -11.314 -37.287) 39.230 22.113 ( -19.629 -9.902 -19.411) 29.328 22.549 ( 8.896 17.450 -15.452) 24.948 23.278 ( 16.214 -21.551 13.075) 29.972 23.541 ( -6.272 18.679 -22.439) 29.863 24.005 ( -15.438 -21.802 15.748) 31.011 24.862 ( 19.512 16.408 9.533) 27.217 25.377 ( -6.750 7.483 8.981) 13.498 25.721 ( 7.482 -2.027 9.480) 12.246 25.805 ( -0.343 4.877 2.410) 5.451 ======================= Grid point 22 (19/96) ======================= q-point: (-0.24 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 -11.711 -19.872) 23.066 1.277 ( 0.000 -12.385 -16.205) 20.396 2.121 ( -0.000 1.596 2.776) 3.203 2.251 ( -0.000 -2.707 3.833) 4.693 2.478 ( 0.000 -18.930 -33.592) 38.559 2.707 ( 0.000 -3.502 -3.572) 5.002 3.001 ( 0.000 4.952 -3.892) 6.299 3.272 ( 0.000 0.946 -8.910) 8.960 3.387 ( -0.000 0.555 2.373) 2.437 3.644 ( 0.000 1.072 -6.329) 6.419 3.730 ( 0.000 -1.785 -4.624) 4.956 3.808 ( 0.000 -3.692 -14.130) 14.605 4.115 ( 0.000 -3.023 -25.766) 25.943 4.132 ( 0.000 -7.707 -12.232) 14.457 4.179 ( -0.000 -0.761 2.311) 2.433 4.542 ( -0.000 -1.646 8.493) 8.651 4.700 ( -0.000 -22.411 -2.966) 22.607 4.753 ( 0.000 3.106 -6.145) 6.885 5.236 ( 0.000 -1.272 -5.110) 5.266 5.323 ( -0.000 -0.708 2.523) 2.621 5.491 ( 0.000 2.699 -3.032) 4.059 5.899 ( -0.000 1.299 14.964) 15.020 5.979 ( 0.000 -5.527 -20.397) 21.132 6.118 ( -0.000 -11.197 -6.857) 13.130 6.386 ( 0.000 2.959 1.594) 3.361 6.986 ( -0.000 -4.930 -0.848) 5.003 7.205 ( 0.000 7.344 3.539) 8.152 7.307 ( -0.000 7.997 9.680) 12.556 7.899 ( 0.000 11.340 -0.120) 11.341 7.912 ( 0.000 0.055 -5.978) 5.979 8.128 ( -0.000 1.177 3.585) 3.773 8.264 ( -0.000 -4.958 0.570) 4.990 8.533 ( -0.000 -5.826 2.075) 6.184 8.797 ( -0.000 -4.762 2.732) 5.490 8.831 ( -0.000 1.217 5.391) 5.527 9.488 ( 0.000 11.603 7.298) 13.707 9.524 ( -0.000 1.161 1.239) 1.698 9.938 ( 0.000 7.187 1.569) 7.356 10.015 ( -0.000 1.816 14.132) 14.249 10.350 ( 0.000 3.131 -3.217) 4.490 10.751 ( -0.000 -7.591 15.940) 17.655 10.824 ( 0.000 15.713 11.463) 19.449 11.197 ( -0.000 -0.736 9.175) 9.205 11.441 ( -0.000 -8.729 -0.326) 8.735 11.889 ( -0.000 1.562 7.656) 7.814 12.531 ( 0.000 11.294 -4.638) 12.209 12.815 ( 0.000 12.032 -6.294) 13.578 13.018 ( -0.000 1.362 4.518) 4.719 13.060 ( 0.000 -0.692 -11.320) 11.341 13.447 ( -0.000 -21.741 0.476) 21.746 13.762 ( -0.000 -9.785 8.106) 12.707 14.314 ( -0.000 4.456 4.649) 6.440 15.805 ( 0.000 0.715 -0.905) 1.154 16.052 ( -0.000 2.273 3.781) 4.412 16.126 ( -0.000 -18.537 13.705) 23.053 16.179 ( 0.000 10.794 -17.171) 20.282 16.959 ( 0.000 23.619 -27.819) 36.493 17.086 ( -0.000 -12.796 -1.105) 12.844 17.697 ( 0.000 1.852 -22.328) 22.405 19.142 ( 0.000 -1.387 -28.864) 28.897 19.746 ( 0.000 -2.762 -7.566) 8.055 20.116 ( -0.000 -8.404 47.706) 48.441 21.686 ( -0.000 -10.349 30.234) 31.956 21.898 ( -0.000 20.130 25.194) 32.248 22.658 ( -0.000 -12.207 11.613) 16.848 23.439 ( -0.000 -11.316 14.127) 18.100 23.590 ( 0.000 9.948 3.366) 10.502 23.740 ( 0.000 26.208 -22.668) 34.651 25.147 ( -0.000 -12.836 -9.500) 15.969 25.223 ( -0.000 -11.327 -9.053) 14.500 25.790 ( -0.000 -4.557 -1.044) 4.675 25.812 ( 0.000 2.199 -12.127) 12.324 ======================= Grid point 23 (20/96) ======================= q-point: (-0.39 -0.04 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 1.930 -5.863 -12.159) 13.636 1.800 ( 13.444 -2.599 -12.000) 18.207 2.207 ( 14.104 2.199 4.395) 14.935 2.269 ( 10.607 0.667 0.234) 10.630 2.754 ( 0.576 -1.906 -2.654) 3.318 3.006 ( 0.673 2.370 1.778) 3.038 3.213 ( 5.995 -9.031 -24.891) 27.149 3.294 ( -6.378 2.536 -3.830) 7.860 3.508 ( -0.199 6.070 -5.432) 8.148 3.738 ( -4.211 -3.096 -7.381) 9.044 3.804 ( -0.356 -5.832 -2.487) 6.350 4.119 ( -1.756 4.350 -0.203) 4.696 4.169 ( 0.826 0.168 -17.010) 17.031 4.266 ( 4.249 -1.222 2.512) 5.084 4.553 ( 1.731 -1.337 -7.947) 8.243 4.638 ( 1.618 1.639 -9.584) 9.857 4.799 ( 2.915 -4.554 -3.328) 6.349 5.053 ( 14.196 -8.578 -16.122) 23.131 5.228 ( -0.292 4.434 5.891) 7.380 5.464 ( 0.821 2.244 4.218) 4.848 5.520 ( -0.818 4.599 -15.862) 16.535 5.614 ( -0.764 -4.516 12.680) 13.482 6.168 ( 3.575 0.547 6.699) 7.613 6.271 ( 1.484 -6.940 2.739) 7.607 6.505 ( 0.863 -3.315 -16.090) 16.450 7.021 ( 6.035 1.856 0.824) 6.368 7.058 ( -7.672 6.310 5.224) 11.224 7.281 ( 1.423 3.835 -6.784) 7.921 7.557 ( -15.686 5.105 -0.952) 16.524 7.857 ( -8.597 4.242 -2.658) 9.948 7.988 ( -13.169 -9.926 -0.465) 16.498 8.322 ( 0.905 -6.438 3.612) 7.437 8.440 ( 2.438 -4.631 0.893) 5.309 8.867 ( 17.889 -2.566 3.545) 18.416 9.234 ( 8.073 5.290 7.270) 12.083 9.304 ( 10.073 3.201 7.384) 12.893 9.487 ( 7.956 -5.768 6.313) 11.680 9.870 ( 1.419 1.755 1.178) 2.546 10.025 ( 10.190 4.980 1.751) 11.476 10.187 ( -4.911 7.211 13.572) 16.134 10.486 ( 4.722 1.188 -0.880) 4.948 10.843 ( 23.334 13.017 13.622) 29.992 11.225 ( 5.379 -6.917 -2.747) 9.183 11.522 ( 4.895 -4.711 -1.440) 6.945 11.779 ( 1.405 -2.200 2.643) 3.715 12.602 ( -2.096 17.084 0.165) 17.213 12.814 ( -4.062 1.087 5.611) 7.011 12.935 ( 0.023 6.960 -1.372) 7.094 13.275 ( -2.957 -5.778 -11.464) 13.174 13.449 ( 0.919 -11.914 2.222) 12.154 13.625 ( 5.268 -10.295 8.311) 14.241 14.245 ( -3.994 5.352 -1.397) 6.823 15.773 ( -1.523 -7.948 8.658) 11.851 15.869 ( -4.860 -1.890 2.472) 5.771 16.008 ( 6.665 -3.071 1.828) 7.563 16.490 ( -0.713 13.092 -12.923) 18.410 17.035 ( -0.147 -11.459 2.651) 11.763 17.481 ( 2.084 12.091 -16.203) 20.324 18.318 ( 5.612 0.110 -32.080) 32.567 19.201 ( 8.290 2.120 43.994) 44.818 19.615 ( -15.630 -4.989 -28.679) 33.040 20.256 ( 12.878 -6.171 -24.155) 28.061 20.906 ( -8.414 13.082 33.766) 37.176 21.661 ( 23.038 17.767 23.432) 37.356 22.155 ( -17.433 -28.192 22.118) 39.848 23.032 ( 14.200 -23.489 24.646) 36.889 23.580 ( -14.258 21.060 -13.009) 28.567 24.317 ( 9.539 23.276 -13.995) 28.786 25.087 ( -17.098 -15.616 -11.145) 25.698 25.534 ( 6.249 -8.956 -5.255) 12.119 25.791 ( -2.932 2.609 -0.855) 4.017 25.928 ( -6.832 2.329 -6.375) 9.630 ======================= Grid point 24 (21/96) ======================= q-point: (-0.53 -0.04 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -1.401 0.359 -10.413) 10.513 1.987 ( -6.407 6.213 -6.230) 10.884 2.495 ( 17.353 -0.112 5.723) 18.273 2.659 ( 20.470 0.635 -2.537) 20.636 2.833 ( 1.803 -2.011 -2.820) 3.905 2.969 ( 3.931 1.820 2.288) 4.899 3.213 ( -5.507 0.407 -1.557) 5.737 3.498 ( -5.897 2.400 -2.331) 6.780 3.658 ( -6.597 -5.395 -0.041) 8.522 3.748 ( -7.485 -4.764 -4.217) 9.824 3.760 ( 1.635 2.971 -1.473) 3.697 4.128 ( 0.689 0.671 -0.792) 1.246 4.325 ( 3.872 4.173 -2.288) 6.135 4.489 ( 0.509 3.165 11.338) 11.782 4.554 ( 2.925 3.062 -9.852) 10.723 4.759 ( -5.108 -0.497 -9.378) 10.691 4.981 ( 3.483 3.110 -0.408) 4.687 5.058 ( -0.153 1.344 9.281) 9.379 5.224 ( -1.635 -1.916 12.582) 12.831 5.518 ( 5.248 0.386 -4.988) 7.251 5.655 ( 5.425 2.471 -4.994) 7.776 5.855 ( 0.022 2.596 -24.960) 25.094 6.127 ( 7.449 -2.965 10.192) 12.968 6.272 ( 6.596 -5.766 -1.108) 8.831 6.686 ( -2.866 0.686 -3.336) 4.451 6.775 ( -10.704 4.113 -3.127) 11.885 7.068 ( -4.215 4.720 12.017) 13.581 7.263 ( -1.346 6.284 -5.669) 8.570 7.628 ( -4.549 -2.651 -7.452) 9.124 7.782 ( -7.225 -1.569 5.186) 9.031 7.795 ( 3.681 -4.348 -2.524) 6.231 8.151 ( -5.964 -7.253 3.794) 10.128 8.603 ( 10.486 -4.367 -3.080) 11.769 9.029 ( -4.219 3.097 3.384) 6.232 9.104 ( 5.500 3.903 2.388) 7.155 9.385 ( 3.148 7.505 -4.026) 9.080 9.672 ( 15.250 -8.143 2.103) 17.415 9.865 ( 0.193 -0.394 -0.472) 0.644 9.960 ( 0.302 -0.479 -4.887) 4.920 10.431 ( 6.050 5.047 -8.761) 11.783 10.621 ( 17.972 -4.645 4.551) 19.112 11.194 ( 19.908 7.078 -1.698) 21.197 11.438 ( 9.784 -5.864 -2.974) 11.788 11.656 ( 9.178 4.084 1.240) 10.122 11.863 ( 4.618 -7.550 -2.886) 9.309 12.396 ( -11.484 3.302 3.533) 12.460 12.636 ( -1.033 8.266 7.111) 10.953 12.878 ( -3.919 4.701 4.299) 7.479 13.303 ( 0.529 -2.764 10.368) 10.743 13.449 ( -2.268 -6.736 -10.311) 12.523 13.697 ( 7.083 -5.755 -1.433) 9.239 14.214 ( -6.255 4.999 -5.639) 9.793 15.543 ( -1.745 -6.674 8.562) 10.995 15.763 ( -2.517 -4.346 -0.597) 5.057 16.181 ( 9.119 1.133 1.414) 9.297 16.681 ( 4.389 9.268 -3.231) 10.752 17.001 ( 4.044 -7.225 3.347) 8.930 17.644 ( -6.990 5.529 -3.947) 9.747 18.466 ( 7.367 -1.347 39.043) 39.755 19.163 ( 14.737 3.226 -18.578) 23.931 19.909 ( -16.112 -4.549 -25.256) 30.301 20.205 ( -5.916 17.602 4.410) 19.086 21.090 ( 3.034 -12.525 -21.126) 24.747 21.267 ( -15.269 -27.470 12.076) 33.668 21.713 ( 26.239 27.791 19.304) 42.819 22.965 ( 22.209 -30.153 18.475) 41.758 23.577 ( -11.979 18.243 -12.904) 25.354 24.545 ( -7.547 8.984 -5.233) 12.847 25.060 ( -7.024 -6.991 -10.346) 14.326 25.527 ( -7.891 2.287 8.026) 11.485 25.718 ( -2.987 4.066 -0.696) 5.093 25.920 ( -5.292 -2.070 -6.459) 8.603 ======================= Grid point 25 (22/96) ======================= q-point: ( 0.33 -0.04 -0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -10.667 10.287 -3.930) 15.332 2.036 ( -3.083 0.033 -8.151) 8.714 2.698 ( 11.052 1.744 3.061) 11.600 2.834 ( 2.409 1.066 0.684) 2.721 2.902 ( -1.016 1.080 3.388) 3.698 3.093 ( -1.461 0.742 0.809) 1.827 3.136 ( -0.323 -0.038 0.220) 0.392 3.364 ( -1.888 -2.750 6.495) 7.302 3.390 ( -4.850 6.009 5.345) 9.392 3.553 ( -10.118 2.120 -1.172) 10.404 3.783 ( -2.158 -7.436 0.898) 7.795 4.073 ( -0.860 -3.061 8.505) 9.079 4.175 ( -6.512 -7.135 3.109) 10.147 4.405 ( -0.028 6.856 7.119) 9.883 4.649 ( -12.799 3.696 7.250) 15.167 4.674 ( -0.401 -0.113 12.286) 12.293 4.763 ( -1.481 3.422 -4.938) 6.188 5.028 ( 0.820 3.148 -5.074) 6.027 5.229 ( 2.027 -2.803 0.786) 3.547 5.645 ( -3.647 5.228 -10.388) 12.188 5.909 ( 4.606 2.796 -2.416) 5.905 6.000 ( 4.858 1.246 9.164) 10.446 6.306 ( -9.545 2.531 -8.773) 13.209 6.339 ( -1.998 1.988 1.492) 3.189 6.571 ( 2.760 0.370 -12.421) 12.729 6.938 ( 2.529 2.023 -2.921) 4.361 6.975 ( 7.595 -1.133 -4.355) 8.827 7.237 ( -3.751 10.062 8.241) 13.536 7.285 ( -6.385 -15.642 0.726) 16.911 7.655 ( -5.719 0.595 2.615) 6.317 7.855 ( -8.142 -16.298 4.568) 18.782 8.123 ( 14.659 2.706 0.869) 14.932 8.779 ( -4.303 2.763 -0.703) 5.162 8.989 ( 6.840 -0.764 -4.237) 8.082 9.207 ( 3.092 12.743 -4.800) 13.964 9.561 ( 1.015 6.620 -4.000) 7.801 9.877 ( 4.625 -6.148 -0.130) 7.695 9.994 ( 3.783 0.746 -8.270) 9.125 10.159 ( -1.895 -4.859 -9.129) 10.514 10.586 ( 1.093 -10.014 -10.482) 14.538 11.062 ( 16.564 0.661 -6.045) 17.645 11.469 ( -3.065 -6.056 -7.467) 10.091 11.768 ( 14.089 2.925 -1.361) 14.454 11.844 ( 14.496 2.044 3.665) 15.091 11.950 ( -3.204 0.254 -1.677) 3.625 12.130 ( -6.984 -3.706 -1.124) 7.986 12.454 ( -0.027 11.965 10.197) 15.721 12.697 ( -0.992 3.222 5.911) 6.805 13.071 ( -1.797 -3.726 9.242) 10.126 13.637 ( -0.617 -4.084 -9.431) 10.296 13.931 ( 6.475 1.793 -8.617) 10.926 14.226 ( -6.325 1.315 -7.304) 9.751 15.375 ( 1.494 0.732 7.537) 7.718 15.791 ( 3.710 -9.967 1.278) 10.712 16.198 ( 2.333 1.934 5.088) 5.922 16.869 ( 1.934 6.071 -6.432) 9.054 17.059 ( 6.534 -3.652 2.730) 7.967 17.443 ( -9.848 3.658 3.476) 11.066 17.879 ( 7.588 -5.661 29.965) 31.425 19.024 ( -18.154 15.262 20.548) 31.380 19.887 ( -4.550 -19.596 11.505) 23.175 20.656 ( 7.409 7.343 -27.713) 29.611 20.973 ( 0.282 -7.762 -29.738) 30.736 21.689 ( 19.514 18.135 6.461) 27.412 22.097 ( 7.136 0.670 -24.723) 25.741 23.081 ( 25.537 -31.257 18.804) 44.528 23.720 ( -1.767 10.671 -16.950) 20.107 24.387 ( -16.795 0.135 -6.409) 17.977 24.931 ( -14.656 11.975 12.220) 22.528 25.218 ( -1.110 -3.106 2.518) 4.149 25.647 ( -3.454 4.274 2.021) 5.855 25.943 ( -4.631 -3.847 -4.332) 7.417 ======================= Grid point 26 (23/96) ======================= q-point: ( 0.19 -0.04 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -14.723 15.856 1.433) 21.685 1.889 ( -15.035 -7.627 10.912) 20.082 2.625 ( -19.721 8.565 1.525) 21.555 2.649 ( -1.394 -0.565 3.015) 3.369 2.856 ( -0.200 -1.943 1.179) 2.282 2.932 ( 0.228 -2.435 5.548) 6.063 3.190 ( -4.303 2.082 -0.540) 4.811 3.292 ( -0.611 0.619 -3.803) 3.901 3.321 ( -4.562 -0.874 -5.136) 6.925 3.473 ( -4.244 -6.280 -2.042) 7.850 3.606 ( 0.128 -6.358 8.226) 10.397 3.854 ( -10.167 -8.466 3.881) 13.788 4.014 ( -4.037 -7.464 7.985) 11.652 4.131 ( -0.270 12.245 9.936) 15.771 4.360 ( -9.253 1.004 -3.314) 9.880 4.472 ( 3.505 1.555 6.576) 7.612 4.779 ( -8.776 3.817 4.896) 10.750 4.942 ( -6.265 -8.606 1.735) 10.785 5.229 ( 2.866 0.516 -0.509) 2.956 5.693 ( -14.193 -2.024 -6.491) 15.738 5.740 ( -10.525 6.158 2.055) 12.366 5.964 ( 10.755 -0.585 9.041) 14.062 6.314 ( -2.087 3.590 -5.729) 7.076 6.442 ( -1.309 -4.691 -9.126) 10.344 6.702 ( -6.661 5.917 4.932) 10.184 6.855 ( -5.643 -8.233 10.260) 14.314 7.034 ( 4.638 1.763 -11.517) 12.540 7.299 ( 5.162 -1.545 0.167) 5.391 7.483 ( -9.343 -1.992 -2.540) 9.885 7.527 ( 5.723 2.056 -15.846) 16.973 7.774 ( 8.392 -7.981 0.475) 11.591 8.295 ( 10.625 3.201 8.870) 14.206 8.745 ( -5.046 -2.927 -7.064) 9.161 9.137 ( 6.365 13.504 4.231) 15.517 9.389 ( 3.327 10.623 -4.394) 11.967 9.587 ( -1.299 4.732 -1.484) 5.126 9.855 ( -4.036 -6.209 1.362) 7.530 10.206 ( 0.550 -17.182 -1.794) 17.284 10.248 ( 3.571 1.475 -6.073) 7.197 10.953 ( 0.420 -6.071 -16.783) 17.852 11.359 ( -4.051 5.955 -8.213) 10.924 11.477 ( -4.433 -7.376 -2.283) 8.903 11.559 ( -21.402 -4.898 -4.400) 22.392 11.991 ( -0.693 10.733 7.091) 12.883 12.050 ( 5.746 2.469 1.561) 6.445 12.287 ( 13.184 6.781 -2.865) 15.100 12.357 ( 12.035 5.450 5.901) 14.470 12.564 ( 3.660 6.353 7.025) 10.154 12.965 ( 2.823 -8.227 0.737) 8.729 13.744 ( -6.292 -4.565 -5.506) 9.526 14.176 ( -3.448 0.486 -5.708) 6.686 14.357 ( 1.785 0.210 -14.419) 14.531 15.260 ( 6.468 11.257 12.150) 17.781 15.770 ( 7.653 -10.475 9.461) 16.056 16.270 ( -0.110 -0.187 -9.757) 9.760 16.805 ( -22.264 -2.066 -5.217) 22.961 16.915 ( -3.420 1.713 14.317) 14.819 17.289 ( -9.417 -0.272 -6.157) 11.254 17.742 ( 20.155 0.484 13.147) 24.069 18.070 ( -24.218 -4.401 18.608) 30.856 19.660 ( 5.228 -3.958 9.520) 11.559 21.308 ( 16.829 16.694 -12.073) 26.602 21.704 ( 6.625 11.214 -17.574) 21.874 22.074 ( 16.287 3.181 -17.593) 24.184 22.663 ( 0.663 -1.342 -19.612) 19.669 23.165 ( 24.548 -25.687 19.123) 40.350 24.094 ( -13.965 8.875 -5.835) 17.545 24.271 ( 14.647 -4.114 -4.709) 15.925 24.339 ( -20.832 13.160 0.767) 24.652 25.176 ( -0.127 -0.240 1.463) 1.488 25.468 ( -5.090 -0.013 7.696) 9.227 25.910 ( -4.806 -5.632 -1.817) 7.623 ======================= Grid point 27 (24/96) ======================= q-point: ( 0.04 -0.04 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -18.366 1.260 -0.000) 18.409 1.293 ( -22.944 -12.926 0.000) 26.334 2.022 ( -30.240 4.635 -0.000) 30.593 2.664 ( -9.381 -27.033 0.000) 28.614 2.769 ( -2.502 -0.226 -0.000) 2.513 2.893 ( 2.991 1.288 -0.000) 3.257 2.905 ( -19.109 -5.683 0.000) 19.936 3.316 ( -3.198 2.880 -0.000) 4.304 3.365 ( 0.051 -0.522 0.000) 0.524 3.468 ( -0.504 1.933 -0.000) 1.998 3.533 ( -0.696 -1.845 0.000) 1.972 3.625 ( -0.955 -9.662 0.000) 9.709 3.858 ( -2.169 -6.987 0.000) 7.315 3.862 ( -19.058 15.003 -0.000) 24.254 4.398 ( -2.668 -3.090 0.000) 4.083 4.467 ( 8.728 0.914 0.000) 8.776 4.482 ( -1.346 -3.832 0.000) 4.062 4.904 ( -1.941 -7.341 0.000) 7.593 5.265 ( -1.318 1.010 -0.000) 1.661 5.468 ( -10.248 -3.112 0.000) 10.710 5.526 ( -8.243 -7.023 0.000) 10.829 6.083 ( 10.433 2.634 -0.000) 10.760 6.105 ( -19.489 -22.085 0.000) 29.455 6.522 ( 1.121 11.549 -0.000) 11.603 6.552 ( -5.332 7.383 -0.000) 9.107 6.794 ( -0.013 -1.823 0.000) 1.823 7.181 ( -1.390 1.739 -0.000) 2.226 7.305 ( -6.580 -4.562 0.000) 8.007 7.444 ( 13.372 0.937 0.000) 13.405 7.900 ( 1.611 6.283 -0.000) 6.486 7.961 ( 9.865 -1.398 0.000) 9.964 8.284 ( 5.304 3.928 -0.000) 6.600 8.793 ( -0.695 -7.741 0.000) 7.773 9.160 ( 3.676 22.340 -0.000) 22.640 9.429 ( -7.143 1.625 -0.000) 7.325 9.580 ( -2.508 5.907 -0.000) 6.418 9.813 ( 4.442 -4.119 0.000) 6.058 10.256 ( 3.266 -21.887 0.000) 22.130 10.383 ( 2.514 4.356 -0.000) 5.030 10.965 ( -18.383 -1.116 -0.000) 18.417 11.058 ( -22.142 -3.359 -0.000) 22.396 11.491 ( 1.330 -5.168 0.000) 5.337 11.599 ( -6.063 0.795 -0.000) 6.115 11.611 ( -10.139 32.808 -0.000) 34.339 12.160 ( 2.821 3.911 -0.000) 4.822 12.287 ( 1.403 2.082 -0.000) 2.510 12.654 ( 10.837 10.864 -0.000) 15.345 12.748 ( 16.067 2.891 0.000) 16.325 13.082 ( 5.900 -4.048 0.000) 7.155 13.581 ( -13.190 -9.224 0.000) 16.095 14.164 ( -3.600 -10.875 0.000) 11.456 14.581 ( -0.153 2.749 -0.000) 2.753 15.245 ( 10.288 15.857 -0.000) 18.902 15.777 ( 2.592 0.446 0.000) 2.631 16.253 ( -24.101 1.922 -0.000) 24.177 16.523 ( -3.769 2.809 -0.000) 4.701 16.611 ( -0.730 -10.571 0.000) 10.596 17.186 ( -18.122 -8.347 0.000) 19.952 17.352 ( -6.438 0.554 -0.000) 6.462 18.146 ( 19.639 -2.014 0.000) 19.742 19.629 ( 0.121 1.503 -0.000) 1.508 21.852 ( 25.385 30.553 -0.000) 39.723 21.947 ( 1.830 2.425 -0.000) 3.038 22.636 ( 6.923 4.055 -0.000) 8.023 22.860 ( -0.468 0.801 -0.000) 0.927 23.387 ( 16.262 -6.497 0.000) 17.512 23.770 ( 0.420 -2.807 0.000) 2.839 24.042 ( -21.359 22.401 -0.000) 30.951 24.826 ( 20.053 -3.694 0.000) 20.391 25.111 ( -6.818 -6.145 0.000) 9.179 25.231 ( -2.267 -1.447 0.000) 2.689 25.840 ( -3.816 -8.807 0.000) 9.598 ======================= Grid point 28 (25/96) ======================= q-point: (-0.10 -0.04 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -17.312 -11.601 -15.988) 26.266 1.246 ( -21.691 -14.019 -18.057) 31.513 1.801 ( -6.628 -20.251 -24.573) 32.525 2.364 ( -19.278 -19.114 -4.851) 27.577 2.483 ( -12.078 -1.143 8.748) 14.957 2.702 ( -3.884 -1.128 -0.068) 4.045 2.978 ( -4.862 5.065 -3.412) 7.806 3.192 ( -3.846 -1.694 -2.006) 4.656 3.412 ( 3.474 -1.764 1.981) 4.371 3.492 ( 2.123 0.629 -4.074) 4.637 3.546 ( -0.419 0.690 -5.600) 5.658 3.697 ( 3.680 -6.001 -6.629) 9.669 3.719 ( -4.529 0.362 -7.421) 8.701 3.950 ( -5.417 -7.580 -11.735) 14.984 4.282 ( -4.913 -3.586 0.961) 6.158 4.575 ( 1.546 1.851 -6.046) 6.509 4.646 ( 4.459 -1.605 1.588) 4.998 4.830 ( -4.802 -14.516 2.805) 15.545 5.197 ( -0.447 -5.193 -0.385) 5.226 5.345 ( -0.035 -2.065 1.514) 2.561 5.486 ( -1.862 -7.992 -3.080) 8.766 5.894 ( -13.289 -9.462 -8.771) 18.522 6.127 ( -8.913 2.567 13.798) 16.626 6.321 ( -4.075 -0.975 2.749) 5.011 6.347 ( -4.862 1.298 4.996) 7.091 6.958 ( 0.571 3.231 -8.913) 9.498 7.151 ( 11.147 0.808 -4.047) 11.887 7.238 ( 0.265 2.840 1.142) 3.072 7.616 ( 2.261 9.970 10.312) 14.520 7.919 ( 19.808 0.127 5.198) 20.479 8.127 ( 9.473 -1.019 1.956) 9.726 8.374 ( -2.736 0.730 -1.470) 3.190 8.634 ( -8.259 -3.550 9.731) 13.248 9.036 ( -17.489 -1.450 3.538) 17.902 9.336 ( -5.564 16.906 -7.856) 19.455 9.532 ( -7.489 6.242 -1.034) 9.804 9.804 ( -5.897 5.414 12.736) 15.043 10.103 ( -21.998 5.620 9.215) 24.504 10.306 ( -0.229 1.587 9.888) 10.017 10.397 ( -11.294 -5.958 0.631) 12.785 10.743 ( -0.738 1.824 0.001) 1.968 11.192 ( -7.489 7.445 9.210) 14.012 11.472 ( 1.077 -4.699 4.638) 6.690 11.603 ( -16.767 16.016 -3.444) 23.442 12.052 ( -1.310 2.532 6.731) 7.310 12.502 ( 5.153 5.608 -2.768) 8.104 12.734 ( -0.991 10.592 1.269) 10.713 12.944 ( -7.072 1.942 1.605) 7.507 12.999 ( 6.954 2.431 0.280) 7.372 13.462 ( 0.068 -18.892 0.193) 18.893 13.969 ( -4.939 -14.508 8.319) 17.438 14.448 ( 1.655 4.393 9.749) 10.820 15.679 ( 13.110 12.194 -16.012) 24.020 15.881 ( -9.240 0.626 0.287) 9.266 15.947 ( 2.563 6.262 -11.134) 13.029 16.370 ( 0.620 -8.099 7.582) 11.111 16.641 ( -14.431 4.458 -9.405) 17.793 16.997 ( 2.951 -10.915 -2.573) 11.596 17.404 ( -6.749 0.298 -13.802) 15.367 18.581 ( 12.074 -1.125 -12.505) 17.419 19.644 ( -6.095 1.275 -7.771) 9.958 21.399 ( -9.416 0.963 48.345) 49.263 22.301 ( 9.387 23.273 13.114) 28.315 22.435 ( -7.862 10.480 18.216) 22.438 22.780 ( 5.674 0.505 8.770) 10.458 23.195 ( -14.649 1.215 10.046) 17.804 23.578 ( -14.781 21.333 -17.349) 31.218 24.008 ( 6.892 -18.960 12.624) 23.798 24.778 ( 12.821 -12.317 4.365) 18.307 25.218 ( -6.262 -6.097 -5.060) 10.099 25.448 ( 6.678 -0.538 -15.510) 16.895 25.786 ( -1.433 -9.513 -0.376) 9.628 ======================= Grid point 29 (26/96) ======================= q-point: ( 0.34 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 10.898 9.885) 14.713 1.554 ( 0.000 22.613 13.223) 26.195 2.082 ( 0.000 -2.266 -3.955) 4.558 2.282 ( 0.000 -0.354 -11.298) 11.303 2.735 ( 0.000 4.455 3.989) 5.980 2.934 ( -0.000 -1.624 3.628) 3.975 2.991 ( 0.000 27.041 18.397) 32.706 3.276 ( -0.000 1.919 3.288) 3.807 3.402 ( 0.000 2.640 -4.913) 5.578 3.700 ( -0.000 7.365 10.194) 12.576 3.746 ( -0.000 0.478 9.290) 9.302 3.947 ( 0.000 10.325 6.429) 12.163 4.136 ( 0.000 -1.233 -1.791) 2.174 4.174 ( -0.000 2.562 17.377) 17.565 4.357 ( 0.000 11.284 3.895) 11.937 4.567 ( 0.000 1.032 -9.705) 9.760 4.775 ( -0.000 5.269 15.771) 16.628 5.098 ( 0.000 12.516 -7.692) 14.691 5.276 ( 0.000 1.382 -6.370) 6.518 5.344 ( 0.000 2.934 -1.009) 3.103 5.450 ( -0.000 0.818 2.117) 2.270 5.891 ( 0.000 1.643 -5.657) 5.891 6.076 ( -0.000 1.423 14.904) 14.972 6.251 ( 0.000 3.019 -0.464) 3.055 6.371 ( 0.000 4.432 2.053) 4.884 6.971 ( -0.000 -10.946 3.390) 11.459 7.037 ( -0.000 -9.528 -2.680) 9.897 7.240 ( 0.000 3.826 -3.949) 5.498 7.729 ( -0.000 -4.305 -3.075) 5.291 7.852 ( -0.000 -4.521 1.694) 4.828 8.234 ( 0.000 11.904 3.056) 12.291 8.256 ( -0.000 -6.478 7.566) 9.961 8.659 ( 0.000 7.648 1.102) 7.727 8.860 ( 0.000 2.370 -3.217) 3.996 8.896 ( 0.000 4.743 -8.012) 9.311 9.191 ( -0.000 -16.431 1.150) 16.471 9.519 ( -0.000 1.275 1.496) 1.966 9.817 ( -0.000 -5.742 -5.134) 7.702 9.978 ( 0.000 -1.792 -12.098) 12.230 10.213 ( -0.000 -8.239 -2.872) 8.725 10.575 ( 0.000 -12.019 -20.783) 24.008 10.891 ( 0.000 5.828 -19.170) 20.036 11.239 ( 0.000 3.898 0.790) 3.977 11.690 ( 0.000 15.677 -2.689) 15.905 11.850 ( 0.000 -1.274 -3.604) 3.822 12.302 ( -0.000 -12.752 -1.488) 12.839 12.600 ( -0.000 -9.762 9.787) 13.823 12.981 ( -0.000 -2.449 -2.325) 3.377 13.059 ( -0.000 -1.278 14.361) 14.418 13.777 ( 0.000 10.705 -3.742) 11.340 13.964 ( 0.000 12.101 -8.532) 14.806 14.187 ( -0.000 -8.900 -5.543) 10.485 15.790 ( -0.000 -1.107 1.837) 2.145 15.887 ( -0.000 -14.065 11.441) 18.130 16.049 ( -0.000 -2.854 -0.016) 2.854 16.328 ( -0.000 -7.162 11.391) 13.455 16.715 ( 0.000 8.481 6.560) 10.722 17.377 ( 0.000 16.738 0.401) 16.742 17.652 ( -0.000 -2.602 22.054) 22.207 19.198 ( -0.000 5.096 29.199) 29.640 19.877 ( 0.000 10.427 8.270) 13.308 20.198 ( 0.000 1.095 -48.929) 48.942 21.489 ( 0.000 -21.328 -24.672) 32.613 21.822 ( 0.000 3.697 -38.770) 38.946 22.763 ( -0.000 -13.098 12.248) 17.933 23.023 ( -0.000 -30.813 14.762) 34.166 23.353 ( -0.000 -3.514 7.027) 7.856 23.982 ( 0.000 26.741 -25.956) 37.267 25.381 ( -0.000 5.018 11.776) 12.801 25.406 ( 0.000 12.975 7.044) 14.764 25.751 ( -0.000 -4.032 9.311) 10.146 25.929 ( 0.000 9.275 -4.054) 10.123 ======================= Grid point 30 (27/96) ======================= q-point: ( 0.20 -0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.143 27.022 7.663) 29.244 1.491 ( 15.479 9.868 8.678) 20.305 2.182 ( -12.939 23.096 14.981) 30.418 2.466 ( 13.863 0.466 -8.415) 16.224 2.716 ( 2.352 0.665 -1.343) 2.789 2.753 ( 10.412 4.653 -4.198) 12.152 3.025 ( 10.906 13.288 5.280) 17.983 3.249 ( 3.983 8.519 2.426) 9.712 3.429 ( -1.409 0.659 2.563) 2.998 3.504 ( 0.805 4.117 6.563) 7.790 3.603 ( -2.441 5.861 0.935) 6.417 3.792 ( -3.653 10.507 8.613) 14.069 3.958 ( -0.088 17.023 3.094) 17.303 4.072 ( 1.241 5.016 7.657) 9.237 4.362 ( -1.085 1.822 -1.938) 2.872 4.570 ( 1.910 5.818 3.052) 6.842 4.722 ( -1.545 4.260 -1.629) 4.815 5.109 ( -4.534 8.651 -1.284) 9.851 5.287 ( -2.688 5.377 1.879) 6.298 5.395 ( 0.539 2.954 -2.344) 3.809 5.640 ( 4.349 7.632 -4.616) 9.923 5.980 ( 6.902 -5.106 -5.583) 10.241 6.100 ( 15.716 6.290 -0.914) 16.953 6.328 ( 0.582 0.187 1.561) 1.676 6.350 ( 7.857 1.631 5.948) 9.989 6.800 ( -2.378 -10.324 7.808) 13.161 7.108 ( -1.366 -6.589 -3.560) 7.613 7.299 ( -2.389 6.903 -3.113) 7.940 7.420 ( -2.628 -7.626 -1.669) 8.237 7.885 ( -12.381 -2.559 -8.381) 15.169 8.098 ( -8.366 -7.376 0.953) 11.194 8.332 ( -5.041 -2.332 8.189) 9.895 8.665 ( 17.588 0.290 -4.170) 18.078 9.014 ( -0.858 0.109 1.827) 2.021 9.211 ( 9.297 -2.547 -3.997) 10.436 9.414 ( 23.897 -6.443 1.855) 24.820 9.607 ( 19.135 -8.168 -2.673) 20.977 9.965 ( 9.050 -4.437 -1.366) 10.171 10.233 ( 1.397 -5.213 -7.335) 9.106 10.440 ( 7.139 -1.000 -12.018) 14.014 10.778 ( -1.394 5.357 -3.863) 6.750 11.230 ( 1.853 6.268 -8.957) 11.088 11.386 ( 6.772 -5.754 -3.609) 9.592 11.712 ( 0.374 13.700 0.142) 13.706 12.002 ( 1.182 -1.722 -7.466) 7.753 12.285 ( 0.329 -14.195 6.756) 15.724 12.549 ( 1.424 -8.555 -1.674) 8.833 12.852 ( 6.904 -6.907 5.375) 11.147 12.929 ( -6.219 -4.620 1.016) 7.813 13.775 ( -3.431 14.408 -0.956) 14.841 14.221 ( 0.760 8.640 -12.131) 14.913 14.335 ( 0.005 -6.231 -10.849) 12.511 15.430 ( -11.895 -12.117 20.035) 26.262 15.771 ( 4.321 -11.715 16.164) 20.425 15.867 ( 9.413 -0.763 1.011) 9.497 16.263 ( 13.150 -8.477 4.698) 16.336 16.881 ( -1.185 17.702 -8.490) 19.669 17.199 ( -2.171 6.607 4.775) 8.436 17.460 ( 4.267 9.123 7.589) 12.611 18.635 ( -11.098 5.179 12.978) 17.844 19.706 ( 4.931 7.624 10.898) 14.185 21.361 ( 6.199 -2.684 -45.199) 45.701 21.778 ( -17.078 -30.138 -2.544) 34.733 22.175 ( -3.259 -16.877 -10.784) 20.292 22.721 ( 1.130 -2.701 -19.964) 20.177 23.002 ( 21.349 -27.590 14.451) 37.760 23.291 ( 9.151 -0.328 6.039) 10.969 24.399 ( -8.506 20.256 -14.942) 26.569 25.013 ( -12.328 10.601 1.153) 16.300 25.333 ( 0.381 5.807 5.547) 8.040 25.473 ( -3.038 2.744 11.927) 12.610 25.991 ( -0.137 10.849 -2.010) 11.034 ======================= Grid point 31 (28/96) ======================= q-point: ( 0.06 -0.06 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -12.450 27.315 -0.000) 30.018 1.609 ( 16.134 19.178 -0.000) 25.062 1.923 ( 28.647 -3.941 0.000) 28.917 2.758 ( -2.161 -1.516 0.000) 2.640 2.849 ( 0.881 -3.165 0.000) 3.286 2.899 ( 7.019 2.809 -0.000) 7.561 3.126 ( 4.136 4.828 -0.000) 6.358 3.338 ( 2.987 5.220 -0.000) 6.014 3.390 ( -0.187 1.762 -0.000) 1.772 3.527 ( -7.703 8.234 -0.000) 11.275 3.545 ( 4.800 3.848 -0.000) 6.152 3.687 ( 10.790 0.735 0.000) 10.815 3.952 ( -1.657 2.925 -0.000) 3.362 4.000 ( 12.155 28.071 -0.000) 30.590 4.348 ( -1.206 -5.175 0.000) 5.314 4.508 ( -11.523 6.076 -0.000) 13.027 4.702 ( 5.098 14.705 -0.000) 15.564 5.071 ( -0.892 6.180 -0.000) 6.244 5.233 ( -1.608 -3.178 0.000) 3.562 5.551 ( 12.464 5.293 -0.000) 13.541 5.699 ( 1.658 11.274 -0.000) 11.396 5.990 ( -7.410 -6.999 0.000) 10.193 6.213 ( -7.156 -14.308 0.000) 15.998 6.431 ( 6.219 -5.010 0.000) 7.986 6.564 ( 24.700 21.132 -0.000) 32.506 6.798 ( 0.331 -0.982 0.000) 1.037 7.143 ( -0.880 -2.504 0.000) 2.654 7.396 ( 7.232 4.383 -0.000) 8.457 7.402 ( -5.381 -4.099 0.000) 6.765 7.761 ( -7.167 -7.075 0.000) 10.071 7.959 ( -5.711 -3.294 0.000) 6.593 8.123 ( -3.542 -12.734 0.000) 13.217 8.800 ( -0.144 -13.333 0.000) 13.334 8.985 ( -1.028 11.658 -0.000) 11.703 9.411 ( -4.869 0.132 -0.000) 4.871 9.476 ( 3.862 -4.922 0.000) 6.257 9.898 ( 2.704 4.464 -0.000) 5.219 10.281 ( -2.423 -6.029 0.000) 6.498 10.597 ( 14.621 4.006 -0.000) 15.160 10.768 ( 29.033 -18.578 0.000) 34.468 10.989 ( 18.975 1.238 0.000) 19.015 11.392 ( 1.748 5.849 -0.000) 6.105 11.518 ( 8.303 -3.138 0.000) 8.876 11.675 ( -3.054 9.118 -0.000) 9.616 12.080 ( -2.318 -4.746 0.000) 5.282 12.219 ( 2.604 -4.801 0.000) 5.462 12.468 ( -7.349 -7.243 0.000) 10.318 12.669 ( -15.951 -5.290 0.000) 16.806 13.046 ( 3.994 -6.158 0.000) 7.340 13.787 ( 4.967 11.505 -0.000) 12.531 14.299 ( -3.837 0.097 -0.000) 3.838 14.587 ( 1.138 5.050 -0.000) 5.177 14.949 ( -6.580 -13.799 0.000) 15.288 15.699 ( 5.412 -7.389 0.000) 9.159 16.200 ( 18.538 -3.536 0.000) 18.872 16.468 ( 14.925 -2.390 0.000) 15.115 16.811 ( -5.117 8.364 -0.000) 9.805 17.363 ( 5.141 2.473 -0.000) 5.705 17.389 ( 8.113 11.644 -0.000) 14.191 18.237 ( -15.172 8.461 -0.000) 17.372 19.638 ( -0.004 3.038 -0.000) 3.038 21.255 ( -23.740 -30.144 0.000) 38.370 21.893 ( -1.459 -2.920 0.000) 3.264 22.483 ( 2.234 -11.014 0.000) 11.238 22.892 ( -3.651 3.518 -0.000) 5.070 23.115 ( 15.387 -27.117 0.000) 31.179 23.659 ( 26.149 -14.713 0.000) 30.004 24.082 ( -23.896 19.735 -0.000) 30.992 24.906 ( -18.408 4.712 -0.000) 19.002 25.258 ( 2.153 8.654 -0.000) 8.918 25.267 ( 0.408 2.935 -0.000) 2.963 26.014 ( 0.420 8.431 -0.000) 8.442 ======================= Grid point 32 (29/96) ======================= q-point: (-0.09 -0.06 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 2.264 -1.472 -3.665) 4.553 2.100 ( 9.574 13.505 -12.004) 20.448 2.416 ( 9.765 -10.026 3.937) 14.538 2.659 ( 4.288 -1.210 -5.043) 6.729 2.878 ( 3.314 -0.601 1.304) 3.612 2.976 ( -4.612 2.893 -6.795) 8.707 3.168 ( 1.394 -0.595 2.071) 2.567 3.278 ( -1.742 0.197 3.998) 4.366 3.397 ( 0.787 4.869 -0.884) 5.011 3.563 ( 3.950 3.160 1.089) 5.174 3.653 ( 0.794 2.378 -8.132) 8.510 3.847 ( -0.255 -9.618 -14.220) 17.170 4.006 ( -1.572 2.893 -6.714) 7.478 4.260 ( 0.356 3.004 5.249) 6.058 4.392 ( 3.343 2.015 -2.078) 4.422 4.456 ( 10.920 12.502 -5.864) 17.604 4.804 ( 2.122 6.106 -0.398) 6.477 5.061 ( 2.001 1.426 2.075) 3.216 5.209 ( -0.936 -1.270 -1.210) 1.988 5.671 ( -1.200 -1.670 7.015) 7.310 5.773 ( 15.567 4.501 2.726) 16.432 5.969 ( -6.387 -0.135 -9.236) 11.230 6.137 ( -5.953 -9.468 -2.615) 11.486 6.458 ( -2.195 -2.740 4.836) 5.976 6.636 ( 3.615 0.464 -2.658) 4.511 6.993 ( -4.171 -0.775 11.375) 12.141 7.059 ( 10.344 8.212 -3.328) 13.620 7.325 ( -5.369 -2.687 5.188) 7.935 7.469 ( 2.172 -0.259 10.609) 10.832 7.581 ( 9.935 7.142 0.358) 12.241 7.891 ( -1.127 2.947 -3.536) 4.738 8.182 ( -11.205 -9.046 -10.544) 17.848 8.759 ( -1.636 -3.230 1.538) 3.934 8.982 ( 1.208 1.210 0.135) 1.715 9.214 ( -6.047 -7.339 4.440) 10.495 9.504 ( 0.439 -3.165 1.178) 3.406 9.972 ( 4.824 5.454 1.566) 7.447 10.159 ( -3.535 -4.848 4.984) 7.800 10.532 ( 1.955 12.310 11.574) 17.010 11.059 ( 0.531 2.205 13.459) 13.649 11.211 ( 7.334 -9.258 2.084) 11.993 11.602 ( 18.621 3.855 4.338) 19.505 11.678 ( 11.688 7.376 -4.083) 14.411 11.782 ( 8.170 -4.589 -2.126) 9.609 11.996 ( -6.158 -3.192 3.785) 7.902 12.169 ( -7.702 -6.495 -1.453) 10.180 12.269 ( -17.162 -4.194 -3.079) 17.934 12.476 ( -4.670 -2.117 -7.325) 8.941 13.051 ( -0.814 1.221 -1.118) 1.845 13.840 ( 4.683 4.690 6.885) 9.557 14.139 ( -3.100 -3.081 8.188) 9.282 14.364 ( 0.417 0.690 12.334) 12.360 15.113 ( -3.314 -4.120 -15.888) 16.745 15.880 ( -1.064 0.797 -10.923) 11.004 16.266 ( 1.152 -0.750 8.543) 8.652 16.861 ( 18.181 -0.483 2.549) 18.365 16.907 ( 1.968 5.278 -6.566) 8.651 17.285 ( 3.023 -0.741 2.945) 4.285 17.705 ( -6.870 -3.407 -14.841) 16.705 18.213 ( 7.786 10.242 -12.082) 17.650 19.766 ( -2.056 6.341 -17.126) 18.378 20.893 ( -17.862 -21.394 -3.249) 28.060 21.601 ( 2.736 -1.770 24.097) 24.316 21.987 ( -6.798 -5.492 33.757) 34.870 22.691 ( -0.862 0.779 13.955) 14.003 23.604 ( -8.524 9.572 -17.736) 21.882 23.877 ( 3.385 -6.075 -9.992) 12.173 24.077 ( 24.091 -10.555 10.403) 28.284 24.389 ( -19.564 7.785 4.816) 21.600 25.185 ( -1.237 0.728 -2.130) 2.568 25.484 ( 1.666 1.528 -6.207) 6.606 26.010 ( 1.407 3.990 2.010) 4.684 ======================= Grid point 33 (30/96) ======================= q-point: (-0.23 -0.06 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 9.752 -11.533 -0.902) 15.130 2.035 ( 0.330 -0.611 14.084) 14.101 2.678 ( -7.848 -0.871 -10.996) 13.537 2.825 ( -7.386 0.593 -3.020) 8.001 2.867 ( -0.553 -1.738 -9.946) 10.112 3.076 ( -0.933 -0.803 -0.927) 1.541 3.139 ( 2.745 -0.086 -3.032) 4.091 3.283 ( -0.456 -3.647 -2.558) 4.478 3.434 ( -1.157 3.145 -2.465) 4.160 3.549 ( 7.281 0.120 -0.189) 7.284 3.923 ( 1.239 3.918 -2.639) 4.884 4.049 ( -1.807 -0.843 -5.116) 5.491 4.196 ( 3.220 -3.699 -5.315) 7.233 4.303 ( 2.716 -6.466 -16.796) 18.201 4.564 ( 0.959 -1.856 -7.893) 8.165 4.706 ( -3.602 -0.657 6.397) 7.371 4.799 ( 10.463 8.057 -3.847) 13.754 4.926 ( -1.222 -8.471 5.216) 10.023 5.248 ( -3.891 -0.180 0.754) 3.967 5.501 ( 3.969 -6.129 7.836) 10.711 5.865 ( -8.643 -2.956 2.889) 9.580 6.011 ( -2.027 2.811 -6.390) 7.270 6.253 ( 12.348 -2.108 -4.908) 13.454 6.356 ( -2.387 1.547 2.009) 3.482 6.557 ( -2.695 -0.381 14.168) 14.427 6.861 ( 1.962 -4.635 0.893) 5.112 7.008 ( -5.039 2.465 10.142) 11.590 7.146 ( 0.975 -0.554 -5.413) 5.528 7.533 ( 1.014 7.231 -2.556) 7.736 7.629 ( 1.259 -2.973 -2.819) 4.286 8.027 ( -10.538 -1.937 -1.183) 10.780 8.139 ( 9.109 8.335 -2.088) 12.522 8.762 ( 1.483 1.063 -1.799) 2.562 8.954 ( 0.846 -7.159 3.439) 7.987 9.036 ( -1.569 0.636 6.003) 6.237 9.460 ( -0.868 -3.266 4.157) 5.357 9.960 ( -0.054 1.224 4.994) 5.142 9.998 ( -4.243 2.130 1.603) 5.011 10.229 ( -0.280 1.883 17.082) 17.187 10.753 ( -2.326 4.300 14.641) 15.436 11.102 ( -17.093 6.122 -1.548) 18.223 11.580 ( -9.574 2.508 8.225) 12.869 11.699 ( -9.879 -5.505 0.691) 11.330 11.763 ( -6.381 0.326 2.212) 6.761 11.994 ( 6.153 -1.501 -2.410) 6.776 12.144 ( -0.433 -0.444 -1.220) 1.369 12.315 ( 9.437 0.063 -7.541) 12.080 12.615 ( 3.678 -3.726 -4.666) 7.012 13.125 ( 0.166 1.517 -7.386) 7.542 13.701 ( 0.182 1.459 9.393) 9.507 13.917 ( -1.048 1.092 6.240) 6.421 14.192 ( 1.779 -1.957 8.205) 8.620 15.382 ( 1.531 1.062 -12.198) 12.339 15.987 ( -3.933 9.452 1.351) 10.326 16.148 ( -1.352 -3.257 -3.677) 5.094 16.752 ( -3.540 -5.941 10.239) 12.356 17.117 ( -5.160 2.629 -8.477) 10.267 17.368 ( 3.003 -3.831 -5.154) 7.089 18.007 ( -4.791 7.087 -27.130) 28.447 18.750 ( 6.424 -12.833 -20.280) 24.844 20.202 ( 4.551 7.857 -4.297) 10.045 20.555 ( 0.264 1.105 20.605) 20.637 21.181 ( 3.657 9.260 17.071) 19.762 21.285 ( -11.072 -13.101 0.558) 17.162 22.245 ( -5.598 9.986 24.803) 27.317 23.449 ( 4.088 -9.412 24.666) 26.715 23.694 ( -23.639 26.160 -10.675) 36.839 24.332 ( 1.838 -6.880 -4.339) 8.339 24.658 ( 22.746 -15.591 -11.673) 29.945 25.263 ( 3.455 1.759 -0.868) 3.973 25.585 ( 1.102 -2.062 -3.290) 4.036 25.989 ( 1.873 0.567 3.471) 3.984 ======================= Grid point 34 (31/96) ======================= q-point: (-0.37 -0.06 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 6.659 -3.163 4.508) 8.641 1.834 ( 5.588 -6.146 5.270) 9.838 2.513 ( -21.834 1.589 -7.682) 23.200 2.655 ( -19.702 0.345 4.200) 20.147 2.875 ( -1.426 1.145 -0.679) 1.951 2.928 ( -3.696 -1.268 1.153) 4.074 3.255 ( 2.450 4.651 -0.566) 5.287 3.392 ( 1.682 -8.402 -1.781) 8.752 3.679 ( 1.206 -2.976 -15.368) 15.700 3.748 ( 5.319 2.080 -2.235) 6.133 3.865 ( 4.854 4.327 8.132) 10.413 4.075 ( -5.528 -4.564 5.213) 8.864 4.255 ( -3.224 -3.038 1.553) 4.694 4.422 ( -2.554 -3.096 3.382) 5.248 4.527 ( -2.628 1.128 -6.447) 7.052 4.696 ( 3.038 -5.366 -1.095) 6.263 4.981 ( -0.056 1.846 -0.985) 2.094 5.061 ( -2.567 1.109 1.938) 3.402 5.216 ( 5.088 -0.360 -15.306) 16.134 5.476 ( 4.459 -6.859 2.359) 8.515 5.597 ( -8.650 -0.814 3.823) 9.492 5.818 ( -5.279 -1.704 18.355) 19.175 6.216 ( -6.897 5.218 -9.284) 12.688 6.395 ( -3.518 6.837 5.952) 9.724 6.618 ( 7.852 -4.409 -4.515) 10.073 6.754 ( 5.520 -0.911 8.702) 10.345 6.973 ( 2.196 -4.392 -9.288) 10.507 7.138 ( -0.870 -3.994 8.404) 9.345 7.676 ( -1.512 1.253 -0.445) 2.014 7.694 ( -2.966 -5.366 -7.135) 9.408 7.996 ( 7.376 8.921 -4.557) 12.440 8.223 ( 7.679 0.416 7.447) 10.705 8.759 ( -4.537 10.395 2.028) 11.522 8.894 ( -1.192 -9.416 -0.780) 9.523 9.075 ( 6.516 1.231 -3.820) 7.653 9.267 ( -2.416 -3.508 7.891) 8.967 9.817 ( -10.327 5.280 -0.078) 11.599 9.891 ( -3.884 2.446 1.784) 4.925 9.975 ( -4.050 1.824 -0.121) 4.443 10.315 ( -12.225 -6.895 13.406) 19.409 10.745 ( -23.744 8.316 -7.115) 26.145 11.045 ( -23.634 -7.197 6.273) 25.490 11.548 ( -5.764 2.260 1.350) 6.337 11.588 ( -6.592 -0.366 1.427) 6.755 12.045 ( -0.942 11.043 4.416) 11.930 12.199 ( 2.045 -14.634 -3.860) 15.272 12.607 ( 5.473 3.795 -6.912) 9.599 12.782 ( 6.131 -4.483 0.057) 7.595 13.344 ( 1.105 0.663 -11.411) 11.484 13.538 ( 3.096 2.478 9.949) 10.710 13.850 ( -0.472 9.255 -0.143) 9.268 14.086 ( 2.635 -8.058 5.440) 10.073 15.675 ( 4.399 6.073 -9.988) 12.489 15.857 ( 0.616 3.869 3.983) 5.587 16.179 ( -7.109 2.271 -4.510) 8.720 16.484 ( -3.562 -11.063 8.507) 14.403 17.151 ( -6.761 8.628 -10.325) 15.058 17.498 ( 2.850 -9.460 4.109) 10.700 18.497 ( -11.563 1.640 -36.953) 38.755 19.111 ( -5.015 -1.497 10.995) 12.177 19.840 ( 5.983 -12.194 -0.948) 13.616 20.121 ( 14.116 9.149 35.338) 39.137 21.162 ( -20.925 -20.384 -22.772) 37.040 21.387 ( -13.626 12.030 26.042) 31.758 21.895 ( 21.168 34.610 -22.404) 46.346 23.065 ( 12.706 -26.351 23.879) 37.763 23.595 ( -17.723 27.536 -15.266) 36.130 24.274 ( -7.765 -18.439 5.822) 20.837 25.217 ( 15.220 5.467 -0.003) 16.172 25.386 ( 14.969 -8.163 0.830) 17.071 25.719 ( -0.222 2.074 -7.636) 7.916 25.923 ( 1.857 -1.682 6.576) 7.038 ======================= Grid point 35 (32/96) ======================= q-point: ( 0.49 -0.06 -0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.818 11.166 6.833) 13.391 1.848 ( -6.506 2.016 6.968) 9.744 2.150 ( -12.117 -3.287 -1.471) 12.641 2.239 ( -18.742 -2.314 -6.476) 19.964 2.812 ( -0.086 3.817 3.427) 5.131 2.947 ( -0.482 -3.606 -1.586) 3.969 3.290 ( 3.088 2.875 3.266) 5.336 3.382 ( -0.644 -5.106 3.123) 6.020 3.455 ( -4.637 13.911 17.572) 22.886 3.812 ( 3.348 3.560 3.838) 6.214 3.897 ( -2.637 3.333 0.415) 4.271 4.030 ( 2.792 -4.572 -3.786) 6.560 4.164 ( -1.607 0.243 11.132) 11.250 4.292 ( -3.826 2.453 -9.423) 10.462 4.549 ( -0.949 -2.980 13.563) 13.919 4.653 ( -0.013 3.723 9.246) 9.967 4.890 ( -2.858 4.504 -6.541) 8.440 5.099 ( -2.109 -6.192 -8.274) 10.547 5.232 ( -6.168 7.501 14.033) 17.065 5.455 ( 3.332 -2.172 10.336) 11.075 5.467 ( -0.386 2.249 1.762) 2.883 5.716 ( 0.946 5.311 -14.160) 15.153 6.141 ( -4.037 -2.161 -0.545) 4.611 6.331 ( -9.607 -2.051 -10.895) 14.670 6.613 ( 2.233 8.106 17.582) 19.489 6.940 ( 6.820 -4.387 3.791) 8.951 7.028 ( 4.372 2.123 -10.480) 11.552 7.129 ( -1.338 -9.027 -0.252) 9.129 7.556 ( 5.097 2.812 7.300) 9.337 7.763 ( 3.836 -3.848 -2.331) 5.913 8.172 ( 9.893 6.850 6.358) 13.610 8.386 ( 8.143 0.001 -5.070) 9.592 8.605 ( -4.088 12.382 4.288) 13.726 8.886 ( -7.424 -2.792 -2.759) 8.398 9.142 ( -4.634 -2.997 -5.999) 8.151 9.206 ( -13.032 -6.591 -5.198) 15.501 9.624 ( -14.652 7.781 -4.047) 17.077 9.842 ( -5.161 -9.380 -3.789) 11.357 9.853 ( -5.251 -2.260 4.336) 7.175 10.062 ( -0.355 -5.164 -16.120) 16.931 10.423 ( -12.965 -6.222 7.111) 16.043 10.666 ( -16.678 -2.987 -17.422) 24.303 11.353 ( -3.547 6.219 5.553) 9.060 11.583 ( -3.182 -0.388 -7.910) 8.535 11.903 ( -0.926 12.054 5.629) 13.336 12.286 ( -1.073 -15.569 -2.839) 15.862 12.770 ( 2.301 -5.165 6.409) 8.546 12.851 ( 3.123 -0.208 -5.585) 6.402 13.345 ( 0.764 2.254 13.100) 13.314 13.601 ( 2.338 3.107 -9.567) 10.327 13.875 ( -1.400 14.538 -3.482) 15.015 14.095 ( 3.074 -10.272 -0.234) 10.725 15.851 ( -0.987 1.639 -1.079) 2.197 15.876 ( 4.638 -2.747 0.964) 5.476 16.191 ( -1.407 13.077 -9.105) 15.996 16.237 ( -1.819 -11.700 9.766) 15.348 17.197 ( -3.828 -6.524 15.982) 17.682 17.298 ( -2.382 6.762 -4.408) 8.416 18.313 ( -5.937 -0.336 35.013) 35.515 19.149 ( -1.436 -3.125 -38.334) 38.488 19.749 ( 10.611 8.950 25.412) 28.956 20.418 ( -13.926 9.277 15.591) 22.871 20.677 ( 12.614 -9.005 -27.027) 31.156 21.338 ( -19.588 -14.896 -30.302) 39.036 22.714 ( 12.809 23.405 -8.917) 28.131 23.010 ( 18.091 -23.947 6.977) 30.813 23.602 ( -11.181 25.228 -14.881) 31.351 23.818 ( -14.434 -27.097 13.838) 33.677 25.371 ( 13.533 13.246 8.820) 20.890 25.632 ( 1.833 -1.695 2.151) 3.295 25.773 ( 4.453 0.956 3.285) 5.615 25.881 ( 0.697 -0.365 -1.008) 1.279 ======================= Grid point 36 (33/96) ======================= q-point: (-0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 -27.716) 27.716 0.621 ( 0.000 0.000 -28.367) 28.367 1.240 ( 0.000 0.000 -57.068) 57.068 2.171 ( -0.000 -0.000 1.057) 1.057 2.229 ( -0.000 -0.000 0.243) 0.243 2.643 ( 0.000 0.000 -1.043) 1.043 3.063 ( 0.000 0.000 -6.789) 6.789 3.064 ( 0.000 0.000 -0.156) 0.156 3.430 ( -0.000 -0.000 2.034) 2.034 3.498 ( 0.000 0.000 -10.145) 10.145 3.644 ( 0.000 0.000 -0.948) 0.948 3.659 ( 0.000 0.000 -1.758) 1.758 3.725 ( 0.000 0.000 -9.866) 9.866 3.736 ( 0.000 0.000 -12.648) 12.648 4.197 ( -0.000 -0.000 1.061) 1.061 4.360 ( -0.000 -0.000 0.462) 0.462 4.680 ( -0.000 -0.000 5.487) 5.487 4.838 ( 0.000 0.000 -0.108) 0.108 4.975 ( 0.000 0.000 -10.077) 10.077 5.320 ( -0.000 -0.000 2.127) 2.127 5.412 ( 0.000 0.000 -4.154) 4.154 5.629 ( 0.000 0.000 -9.818) 9.818 5.708 ( 0.000 0.000 -10.139) 10.139 6.260 ( -0.000 -0.000 13.463) 13.463 6.389 ( 0.000 0.000 -2.720) 2.720 6.880 ( 0.000 0.000 -3.051) 3.051 7.303 ( 0.000 0.000 -1.479) 1.479 7.748 ( -0.000 -0.000 16.783) 16.783 7.835 ( 0.000 0.000 -1.186) 1.186 7.940 ( 0.000 0.000 -4.059) 4.059 8.214 ( -0.000 -0.000 1.004) 1.004 8.318 ( -0.000 -0.000 5.099) 5.099 8.520 ( -0.000 -0.000 0.858) 0.858 8.765 ( -0.000 -0.000 1.205) 1.205 9.024 ( -0.000 -0.000 6.592) 6.592 9.590 ( -0.000 -0.000 2.221) 2.221 9.749 ( -0.000 -0.000 1.242) 1.242 10.091 ( -0.000 -0.000 1.866) 1.866 10.113 ( 0.000 0.000 -7.244) 7.244 10.330 ( -0.000 -0.000 11.714) 11.714 10.835 ( -0.000 -0.000 3.571) 3.571 11.285 ( -0.000 -0.000 12.881) 12.881 11.432 ( -0.000 -0.000 5.640) 5.640 11.689 ( -0.000 -0.000 23.133) 23.133 12.068 ( -0.000 -0.000 6.606) 6.606 12.303 ( 0.000 0.000 -18.097) 18.097 12.860 ( 0.000 0.000 -7.335) 7.335 12.861 ( 0.000 0.000 -10.520) 10.520 13.097 ( -0.000 -0.000 1.249) 1.249 13.127 ( -0.000 -0.000 1.782) 1.782 13.757 ( -0.000 -0.000 3.540) 3.540 14.510 ( -0.000 -0.000 9.356) 9.356 15.801 ( 0.000 0.000 -0.618) 0.618 15.886 ( 0.000 0.000 -18.704) 18.704 16.144 ( -0.000 -0.000 11.961) 11.961 16.146 ( -0.000 -0.000 2.576) 2.576 16.848 ( 0.000 0.000 -18.305) 18.305 16.944 ( -0.000 -0.000 0.981) 0.981 17.344 ( 0.000 0.000 -14.012) 14.012 18.701 ( 0.000 0.000 -13.451) 13.451 19.664 ( 0.000 0.000 -2.530) 2.530 20.712 ( -0.000 -0.000 28.514) 28.514 21.974 ( -0.000 -0.000 19.328) 19.328 22.583 ( -0.000 -0.000 19.045) 19.045 22.822 ( -0.000 -0.000 10.245) 10.245 23.518 ( 0.000 0.000 -25.332) 25.332 23.553 ( 0.000 0.000 -12.274) 12.274 23.783 ( -0.000 -0.000 22.519) 22.519 24.840 ( 0.000 0.000 -3.525) 3.525 24.959 ( 0.000 0.000 -4.248) 4.248 25.525 ( 0.000 0.000 -15.806) 15.806 25.669 ( 0.000 0.000 -3.219) 3.219 ======================= Grid point 37 (34/96) ======================= q-point: (-0.21 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 11.873 -0.000 -15.535) 19.552 1.461 ( 23.116 -0.000 -16.333) 28.304 2.163 ( 1.457 0.000 -10.483) 10.583 2.346 ( 19.112 -0.000 4.030) 19.533 2.453 ( 12.363 0.000 -30.436) 32.851 2.706 ( 2.820 -0.000 -1.126) 3.037 3.111 ( 4.081 -0.000 3.100) 5.125 3.229 ( -5.141 0.000 -7.893) 9.420 3.396 ( -0.391 0.000 -6.717) 6.728 3.619 ( -7.794 0.000 -2.052) 8.059 3.637 ( -3.591 0.000 -3.578) 5.070 3.797 ( 1.756 0.000 -16.669) 16.761 4.067 ( 2.625 0.000 -11.160) 11.465 4.110 ( 2.880 0.000 -12.021) 12.361 4.338 ( 13.497 -0.000 -9.600) 16.563 4.551 ( 2.450 -0.000 4.871) 5.452 4.589 ( 9.745 -0.000 -9.630) 13.701 4.794 ( -1.949 0.000 2.493) 3.164 5.303 ( 0.719 -0.000 0.152) 0.734 5.338 ( 9.958 -0.000 -12.861) 16.265 5.474 ( -3.794 0.000 -4.987) 6.266 5.907 ( 1.188 -0.000 8.162) 8.248 6.024 ( 8.014 -0.000 -6.916) 10.585 6.126 ( 13.486 -0.000 -0.455) 13.494 6.368 ( -3.928 0.000 -0.880) 4.026 7.041 ( 8.782 -0.000 -2.043) 9.016 7.184 ( -8.270 0.000 5.305) 9.825 7.394 ( -1.276 -0.000 13.735) 13.794 7.455 ( -21.914 0.000 -13.344) 25.657 7.924 ( -19.235 0.000 -1.351) 19.282 7.966 ( -10.068 0.000 10.233) 14.355 8.356 ( 8.319 -0.000 2.917) 8.815 8.444 ( 2.677 -0.000 4.259) 5.031 8.931 ( 21.209 -0.000 4.025) 21.587 9.478 ( -4.261 0.000 4.638) 6.298 9.484 ( 28.203 -0.000 10.799) 30.200 9.624 ( 0.025 -0.000 10.614) 10.614 10.045 ( 0.951 -0.000 12.017) 12.054 10.176 ( 15.701 -0.000 5.672) 16.694 10.309 ( -3.171 0.000 -10.843) 11.297 10.573 ( -1.667 -0.000 13.084) 13.190 11.108 ( 2.807 -0.000 5.742) 6.391 11.325 ( 1.355 -0.000 3.407) 3.666 11.629 ( 30.096 -0.000 25.239) 39.278 11.914 ( 1.348 -0.000 8.051) 8.164 12.704 ( 1.915 0.000 -16.946) 17.053 12.916 ( -9.981 0.000 4.836) 11.091 12.925 ( -5.709 0.000 -9.189) 10.818 13.055 ( -3.270 0.000 2.286) 3.989 13.239 ( 12.434 -0.000 -4.135) 13.103 13.697 ( 5.161 -0.000 7.343) 8.976 14.323 ( -3.333 0.000 5.036) 6.039 15.873 ( -2.898 -0.000 9.691) 10.115 15.875 ( 2.190 -0.000 0.420) 2.230 16.019 ( -1.596 0.000 1.260) 2.033 16.301 ( -0.450 0.000 -18.552) 18.557 16.873 ( -2.417 0.000 -2.908) 3.781 17.262 ( 1.022 0.000 -19.274) 19.301 17.781 ( 7.415 0.000 -21.675) 22.908 18.957 ( -15.493 0.000 -25.136) 29.527 19.836 ( 5.631 -0.000 -11.153) 12.494 20.275 ( 20.584 -0.000 53.949) 57.742 21.767 ( 15.991 -0.000 35.405) 38.849 22.253 ( 16.471 -0.000 16.911) 23.607 22.316 ( -18.901 0.000 22.213) 29.166 23.320 ( 8.877 -0.000 25.380) 26.887 23.542 ( -16.935 0.000 -16.162) 23.409 24.260 ( 13.659 -0.000 -18.532) 23.022 24.657 ( -22.375 0.000 -7.755) 23.681 25.277 ( 9.510 -0.000 -7.335) 12.010 25.751 ( -7.815 0.000 -12.562) 14.795 25.751 ( 0.117 0.000 -3.653) 3.655 ======================= Grid point 38 (35/96) ======================= q-point: (-0.36 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 7.015 -0.000 -6.339) 9.455 1.885 ( -1.554 0.000 -6.920) 7.092 2.503 ( 16.420 -0.000 -4.840) 17.118 2.685 ( 21.633 -0.000 3.517) 21.917 2.772 ( 2.166 -0.000 -0.937) 2.360 3.067 ( 3.414 -0.000 5.082) 6.122 3.179 ( -7.174 0.000 -3.347) 7.916 3.257 ( 6.509 0.000 -17.844) 18.994 3.455 ( -10.409 0.000 -3.127) 10.868 3.635 ( -3.158 0.000 -8.355) 8.932 3.706 ( 4.028 -0.000 -6.042) 7.261 4.159 ( -2.131 0.000 -1.480) 2.595 4.183 ( 1.396 0.000 -14.825) 14.890 4.332 ( 5.437 -0.000 -9.140) 10.635 4.589 ( -0.223 0.000 0.106) 0.247 4.739 ( 0.975 -0.000 2.590) 2.767 4.830 ( 8.541 -0.000 -9.870) 13.053 5.219 ( 7.119 0.000 -29.793) 30.632 5.252 ( -1.314 -0.000 6.608) 6.737 5.497 ( -2.496 0.000 -1.185) 2.763 5.626 ( 8.018 -0.000 18.434) 20.102 5.651 ( 8.109 -0.000 1.004) 8.171 6.153 ( -0.181 0.000 -1.495) 1.506 6.345 ( 10.123 -0.000 9.234) 13.701 6.470 ( 0.345 0.000 -10.194) 10.200 6.927 ( -11.195 0.000 6.131) 12.764 7.208 ( 0.477 0.000 -5.858) 5.877 7.256 ( -4.944 0.000 -12.974) 13.884 7.488 ( -5.624 0.000 -13.030) 14.192 7.496 ( -6.995 -0.000 15.623) 17.117 7.717 ( -6.271 0.000 -5.175) 8.130 8.347 ( 0.915 -0.000 10.258) 10.299 8.499 ( 8.304 -0.000 -2.075) 8.560 9.212 ( 13.905 -0.000 4.235) 14.536 9.229 ( -6.150 0.000 8.954) 10.863 9.416 ( -1.319 -0.000 3.799) 4.021 9.710 ( 15.907 -0.000 6.143) 17.052 9.908 ( -0.097 -0.000 2.723) 2.725 10.066 ( -0.542 -0.000 17.322) 17.331 10.398 ( -7.231 0.000 -7.286) 10.265 10.623 ( 24.455 -0.000 5.756) 25.123 11.154 ( 2.768 -0.000 -3.043) 4.114 11.435 ( 11.546 -0.000 -1.300) 11.619 11.764 ( 20.702 -0.000 11.021) 23.453 11.849 ( 6.343 -0.000 4.808) 7.959 12.524 ( -16.256 0.000 5.738) 17.239 12.878 ( -3.870 0.000 3.048) 4.926 12.943 ( -7.817 0.000 -4.625) 9.083 13.114 ( 3.578 0.000 -11.837) 12.366 13.416 ( 3.188 -0.000 4.059) 5.162 13.693 ( 11.276 -0.000 6.895) 13.218 14.180 ( -7.121 0.000 -1.345) 7.247 15.630 ( -1.845 -0.000 8.600) 8.795 15.726 ( -8.609 0.000 -0.005) 8.609 16.207 ( 14.117 -0.000 0.863) 14.143 16.607 ( -4.192 0.000 -14.973) 15.549 16.958 ( 9.120 -0.000 2.051) 9.348 17.565 ( -3.985 0.000 -9.914) 10.685 18.536 ( 16.916 -0.000 -25.223) 30.370 19.177 ( -19.892 0.000 -33.785) 39.206 19.511 ( 14.909 -0.000 47.920) 50.186 20.360 ( 4.858 0.000 -28.063) 28.481 21.114 ( 1.646 -0.000 36.640) 36.677 21.286 ( -29.598 0.000 27.868) 40.653 22.494 ( 35.217 -0.000 15.767) 38.586 23.045 ( 14.716 -0.000 26.117) 29.978 23.537 ( -15.001 0.000 -14.394) 20.789 24.342 ( -30.550 0.000 -13.289) 33.315 24.817 ( 11.731 -0.000 -11.018) 16.093 25.559 ( 5.675 -0.000 -4.606) 7.309 25.711 ( -14.321 0.000 -5.515) 15.346 25.792 ( -1.659 0.000 -1.448) 2.202 ======================= Grid point 39 (36/96) ======================= q-point: ( 0.50 -0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.118 0.000 -4.392) 4.394 1.932 ( -6.979 0.000 -6.968) 9.862 2.768 ( 11.175 -0.000 4.229) 11.948 2.856 ( 2.127 -0.000 -2.503) 3.284 2.879 ( 4.101 -0.000 2.216) 4.661 3.091 ( -7.294 0.000 -0.671) 7.325 3.138 ( 6.743 -0.000 -0.198) 6.746 3.349 ( -11.121 0.000 -6.782) 13.026 3.484 ( 1.542 0.000 -3.347) 3.685 3.513 ( -8.355 0.000 5.287) 9.887 3.923 ( 7.767 -0.000 3.593) 8.558 4.067 ( -3.982 -0.000 8.453) 9.344 4.462 ( 3.725 0.000 -8.984) 9.725 4.470 ( -8.424 0.000 11.464) 14.226 4.544 ( -8.426 0.000 2.059) 8.674 4.674 ( 4.953 -0.000 -9.206) 10.454 5.081 ( -3.489 0.000 2.785) 4.464 5.140 ( 4.274 -0.000 -8.484) 9.500 5.145 ( 3.200 -0.000 24.232) 24.442 5.588 ( -4.487 0.000 2.146) 4.974 5.780 ( 5.907 -0.000 -8.094) 10.021 5.885 ( 0.031 0.000 -24.087) 24.087 6.291 ( 8.882 -0.000 14.618) 17.105 6.346 ( 7.402 -0.000 -6.665) 9.961 6.550 ( -15.691 0.000 4.549) 16.337 6.729 ( 3.851 0.000 -13.734) 14.263 7.054 ( -1.347 -0.000 6.468) 6.606 7.123 ( -8.278 0.000 1.432) 8.401 7.519 ( -3.821 0.000 -6.867) 7.859 7.527 ( -6.371 0.000 -0.850) 6.427 7.945 ( -8.057 -0.000 18.674) 20.338 8.043 ( 13.451 -0.000 -10.801) 17.251 8.834 ( 12.950 -0.000 -7.517) 14.973 8.897 ( -9.600 0.000 7.136) 11.962 9.308 ( 4.456 -0.000 1.463) 4.690 9.483 ( -2.173 0.000 -8.924) 9.185 9.864 ( 2.556 -0.000 0.472) 2.599 9.904 ( 15.360 -0.000 5.832) 16.430 9.957 ( 0.542 0.000 -8.052) 8.070 10.321 ( -10.731 0.000 -4.727) 11.726 11.001 ( 17.045 -0.000 0.221) 17.046 11.252 ( -4.084 0.000 -5.994) 7.253 11.767 ( 16.085 -0.000 -2.886) 16.342 11.950 ( 9.143 -0.000 2.882) 9.587 11.962 ( 10.385 -0.000 0.146) 10.386 12.061 ( -19.781 0.000 2.931) 19.997 12.757 ( 0.118 -0.000 3.634) 3.636 12.819 ( -4.508 0.000 3.106) 5.474 13.248 ( -2.620 -0.000 10.840) 11.153 13.401 ( 3.018 0.000 -9.135) 9.621 13.846 ( 9.952 -0.000 -0.513) 9.965 14.100 ( -8.939 0.000 -6.068) 10.804 15.481 ( 2.071 -0.000 5.225) 5.621 15.644 ( -3.286 0.000 -3.948) 5.137 16.367 ( 7.687 -0.000 6.712) 10.205 16.736 ( -10.100 0.000 -11.087) 14.998 17.142 ( 17.816 -0.000 6.320) 18.904 17.485 ( -12.680 0.000 -0.666) 12.697 18.568 ( 8.026 -0.000 37.472) 38.322 19.474 ( -22.890 0.000 -14.992) 27.363 19.752 ( 33.143 -0.000 -5.934) 33.670 20.235 ( -25.034 0.000 -0.000) 25.034 20.579 ( 3.109 -0.000 8.470) 9.023 21.111 ( 2.329 0.000 -36.262) 36.337 22.809 ( 15.520 -0.000 25.510) 29.860 22.906 ( 38.920 -0.000 17.249) 42.571 23.574 ( -11.640 0.000 -16.638) 20.306 24.031 ( -32.834 0.000 -18.029) 37.458 25.161 ( 10.795 -0.000 -0.499) 10.806 25.361 ( -13.399 0.000 9.477) 16.412 25.744 ( -3.851 0.000 0.639) 3.904 25.749 ( -1.192 0.000 -6.546) 6.654 ======================= Grid point 41 (37/96) ======================= q-point: ( 0.36 -0.07 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -14.136 0.000 -2.755) 14.402 1.845 ( -3.958 0.000 -1.104) 4.109 2.735 ( -16.381 0.000 6.099) 17.480 2.827 ( -1.477 0.000 -1.546) 2.138 2.881 ( -10.358 0.000 5.783) 11.864 2.951 ( 9.366 -0.000 3.330) 9.941 3.259 ( -3.472 0.000 0.684) 3.539 3.268 ( 5.526 -0.000 -2.085) 5.906 3.275 ( -13.120 0.000 -1.258) 13.180 3.397 ( -1.803 -0.000 10.002) 10.163 3.677 ( -6.825 0.000 12.301) 14.068 3.985 ( 7.071 -0.000 3.097) 7.720 3.997 ( -10.170 0.000 12.357) 16.003 4.288 ( -8.840 0.000 1.820) 9.025 4.637 ( 3.545 -0.000 7.477) 8.275 4.731 ( 0.960 -0.000 17.121) 17.148 4.763 ( -4.136 0.000 -5.441) 6.835 4.941 ( -11.935 0.000 5.096) 12.978 5.256 ( 5.181 -0.000 2.396) 5.708 5.546 ( -9.000 0.000 -6.664) 11.198 5.915 ( -10.092 0.000 -1.675) 10.230 6.108 ( -9.723 0.000 -8.932) 13.203 6.155 ( 6.148 -0.000 9.467) 11.288 6.275 ( -2.935 0.000 -3.095) 4.265 6.721 ( 1.738 0.000 -16.953) 17.042 6.824 ( -6.121 0.000 9.234) 11.079 7.001 ( -0.181 -0.000 6.487) 6.490 7.182 ( 8.718 -0.000 -16.031) 18.248 7.400 ( -4.288 0.000 4.012) 5.872 7.527 ( -3.707 0.000 7.141) 8.045 7.580 ( 8.637 -0.000 -6.151) 10.604 8.400 ( 8.350 -0.000 -1.278) 8.447 8.630 ( -8.221 0.000 -0.468) 8.234 9.219 ( 10.040 -0.000 -6.019) 11.706 9.451 ( 5.537 -0.000 -5.477) 7.788 9.527 ( -8.486 0.000 -5.390) 10.053 9.956 ( -7.727 0.000 2.477) 8.114 10.015 ( 6.888 -0.000 3.087) 7.548 10.080 ( 5.900 -0.000 -6.995) 9.151 10.495 ( 0.571 0.000 -20.090) 20.098 11.216 ( -15.278 0.000 -9.393) 17.934 11.232 ( 0.681 0.000 -6.851) 6.885 11.568 ( -16.551 0.000 5.865) 17.559 12.034 ( 0.358 0.000 -4.472) 4.486 12.127 ( 7.324 -0.000 -0.949) 7.385 12.270 ( 17.861 -0.000 -4.595) 18.442 12.738 ( 9.273 -0.000 7.513) 11.935 12.740 ( 1.957 -0.000 0.408) 1.999 12.899 ( -6.247 -0.000 14.018) 15.347 13.579 ( -2.280 0.000 -5.967) 6.387 14.053 ( -10.051 0.000 -6.998) 12.247 14.108 ( 7.119 -0.000 -8.457) 11.054 15.520 ( 8.534 -0.000 1.123) 8.608 15.724 ( 3.304 -0.000 -1.294) 3.548 16.257 ( 1.694 -0.000 9.670) 9.817 16.643 ( -20.062 0.000 -7.900) 21.561 17.207 ( -14.343 0.000 -0.493) 14.351 17.249 ( 5.762 -0.000 12.343) 13.622 18.131 ( 21.491 -0.000 26.978) 34.491 18.529 ( -32.214 0.000 24.972) 40.759 19.854 ( 7.782 -0.000 16.906) 18.611 20.669 ( -4.416 0.000 -43.402) 43.626 21.330 ( 26.219 -0.000 -30.446) 40.180 21.884 ( 3.590 0.000 -31.424) 31.628 22.643 ( 13.222 -0.000 17.340) 21.806 23.204 ( 27.207 -0.000 18.249) 32.761 23.806 ( -31.299 0.000 -22.387) 38.481 23.876 ( 4.556 0.000 -20.159) 20.667 24.805 ( -14.072 0.000 17.081) 22.131 25.272 ( 8.574 -0.000 7.539) 11.417 25.612 ( -4.897 0.000 4.367) 6.561 25.799 ( -2.945 0.000 -2.260) 3.712 ======================= Grid point 42 (38/96) ======================= q-point: ( 0.21 -0.07 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -26.378 0.000 3.646) 26.629 1.482 ( -16.216 0.000 21.230) 26.715 2.143 ( -34.338 0.000 11.628) 36.253 2.374 ( -11.282 0.000 6.732) 13.138 2.781 ( -4.386 0.000 0.487) 4.413 2.836 ( -20.041 0.000 -1.687) 20.112 2.980 ( 4.058 -0.000 7.397) 8.436 3.298 ( -3.894 0.000 -4.072) 5.634 3.314 ( 2.164 0.000 -6.100) 6.473 3.451 ( 7.753 -0.000 -0.723) 7.787 3.486 ( 0.650 -0.000 7.878) 7.905 3.697 ( -6.936 0.000 -1.730) 7.149 3.875 ( -3.301 -0.000 13.910) 14.297 4.085 ( -11.952 0.000 3.082) 12.343 4.426 ( -12.319 0.000 7.180) 14.259 4.498 ( 8.580 -0.000 5.221) 10.043 4.554 ( 0.747 -0.000 6.558) 6.600 4.858 ( -1.840 0.000 -4.437) 4.804 5.316 ( 3.530 -0.000 1.199) 3.728 5.410 ( -8.931 0.000 -1.813) 9.113 5.474 ( -25.438 0.000 6.645) 26.292 5.928 ( -10.132 0.000 7.728) 12.743 6.174 ( 9.623 -0.000 5.519) 11.094 6.380 ( -6.563 0.000 -15.145) 16.506 6.551 ( -9.382 0.000 -8.721) 12.809 6.924 ( 7.092 -0.000 9.244) 11.651 7.181 ( 5.805 -0.000 -7.130) 9.194 7.200 ( -10.186 0.000 -0.018) 10.186 7.511 ( 13.528 -0.000 4.813) 14.359 7.677 ( 4.760 0.000 -18.073) 18.690 7.928 ( 11.106 -0.000 -4.984) 12.173 8.422 ( 0.348 -0.000 5.423) 5.434 8.623 ( -2.179 0.000 -7.096) 7.423 9.390 ( -15.047 0.000 -4.147) 15.608 9.440 ( 5.549 -0.000 -1.037) 5.645 9.712 ( 8.675 -0.000 -5.162) 10.094 9.786 ( -0.907 -0.000 3.012) 3.145 9.978 ( 1.768 -0.000 7.418) 7.626 10.337 ( 1.568 0.000 -8.648) 8.789 10.789 ( -11.151 0.000 -12.913) 17.061 10.966 ( -23.877 0.000 -5.558) 24.515 11.366 ( 1.097 0.000 -3.323) 3.499 11.396 ( -4.725 0.000 -13.745) 14.534 12.075 ( -1.417 0.000 -1.795) 2.287 12.284 ( 9.395 -0.000 1.210) 9.473 12.453 ( -7.359 0.000 13.515) 15.389 12.721 ( 17.113 -0.000 -3.187) 17.407 12.821 ( -0.866 0.000 -7.977) 8.023 12.869 ( 13.321 -0.000 3.753) 13.839 13.478 ( -15.195 0.000 0.010) 15.195 13.981 ( -9.865 0.000 -5.173) 11.139 14.439 ( 3.207 0.000 -12.256) 12.669 15.678 ( 7.935 -0.000 16.222) 18.059 15.736 ( 11.867 -0.000 -0.748) 11.890 16.238 ( -2.396 0.000 -9.774) 10.064 16.266 ( -24.245 0.000 -0.892) 24.262 16.898 ( -2.180 -0.000 19.202) 19.326 16.986 ( -14.033 0.000 -5.015) 14.902 17.606 ( -13.885 0.000 17.940) 22.685 18.236 ( 21.481 -0.000 10.440) 23.883 19.708 ( 1.264 -0.000 5.659) 5.799 21.495 ( 0.198 0.000 -37.963) 37.964 22.378 ( 20.148 -0.000 -22.011) 29.840 22.409 ( 15.325 -0.000 1.489) 15.397 22.694 ( 2.594 0.000 -8.545) 8.930 23.357 ( 24.212 -0.000 11.899) 26.978 23.741 ( -28.509 0.000 -27.933) 39.912 24.180 ( -14.160 0.000 11.760) 18.407 24.453 ( 8.886 0.000 -19.965) 21.853 25.237 ( 4.753 -0.000 7.574) 8.942 25.342 ( -4.637 -0.000 13.037) 13.837 25.741 ( -4.049 0.000 0.427) 4.072 ======================= Grid point 43 (39/96) ======================= q-point: ( 0.07 -0.07 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -29.775 0.000 -0.000) 29.775 0.727 ( -35.953 0.000 -0.000) 35.953 1.076 ( -51.945 0.000 -0.000) 51.945 2.190 ( -3.508 0.000 -0.000) 3.508 2.582 ( -12.092 0.000 -0.000) 12.092 2.679 ( -4.137 0.000 -0.000) 4.137 2.973 ( 2.750 -0.000 0.000) 2.750 3.196 ( -10.883 0.000 -0.000) 10.883 3.368 ( 0.444 -0.000 0.000) 0.444 3.467 ( -1.593 0.000 -0.000) 1.593 3.585 ( 4.831 -0.000 0.000) 4.831 3.588 ( 0.598 -0.000 0.000) 0.598 3.668 ( -3.194 0.000 -0.000) 3.194 3.728 ( -10.179 0.000 -0.000) 10.179 4.237 ( -3.062 0.000 -0.000) 3.062 4.548 ( 2.123 -0.000 0.000) 2.123 4.658 ( 7.814 -0.000 0.000) 7.814 4.855 ( -1.970 0.000 -0.000) 1.970 4.901 ( -19.392 0.000 -0.000) 19.392 5.342 ( 1.645 -0.000 0.000) 1.645 5.349 ( -0.450 0.000 -0.000) 0.450 5.654 ( -6.041 0.000 -0.000) 6.041 6.281 ( 6.462 -0.000 0.000) 6.462 6.509 ( -8.025 0.000 -0.000) 8.025 6.689 ( 4.075 -0.000 0.000) 4.075 6.710 ( -3.333 0.000 -0.000) 3.333 6.991 ( -10.031 0.000 -0.000) 10.031 7.272 ( 0.188 -0.000 0.000) 0.188 7.886 ( 26.875 -0.000 0.000) 26.875 7.956 ( -0.858 0.000 -0.000) 0.858 8.140 ( 7.595 -0.000 0.000) 7.595 8.370 ( 0.797 -0.000 0.000) 0.797 8.701 ( -0.859 0.000 -0.000) 0.859 9.066 ( -23.000 0.000 -0.000) 23.000 9.538 ( 4.861 -0.000 0.000) 4.861 9.816 ( -6.324 0.000 -0.000) 6.324 9.890 ( 11.742 -0.000 0.000) 11.742 9.971 ( 8.709 -0.000 0.000) 8.709 10.456 ( 0.413 -0.000 0.000) 0.413 10.629 ( -19.648 0.000 -0.000) 19.648 10.656 ( -10.670 0.000 -0.000) 10.670 11.482 ( 2.190 -0.000 0.000) 2.190 11.512 ( -3.484 0.000 -0.000) 3.484 12.047 ( 1.358 -0.000 0.000) 1.358 12.186 ( -4.781 0.000 -0.000) 4.781 12.482 ( 11.667 -0.000 0.000) 11.667 13.021 ( 8.491 -0.000 0.000) 8.491 13.022 ( -2.256 0.000 -0.000) 2.256 13.057 ( 8.836 -0.000 0.000) 8.836 13.082 ( -14.364 0.000 -0.000) 14.364 13.870 ( -7.102 0.000 -0.000) 7.102 14.631 ( 0.733 -0.000 0.000) 0.733 15.599 ( 5.752 -0.000 0.000) 5.752 15.897 ( -11.194 0.000 -0.000) 11.194 15.942 ( 7.856 -0.000 0.000) 7.856 16.382 ( -4.494 0.000 -0.000) 4.494 16.580 ( 0.870 -0.000 0.000) 0.870 16.808 ( -9.514 0.000 -0.000) 9.514 17.234 ( -5.440 0.000 -0.000) 5.440 18.451 ( 11.273 -0.000 0.000) 11.273 19.656 ( -1.071 0.000 -0.000) 1.071 22.001 ( 1.055 -0.000 0.000) 1.055 22.700 ( 23.100 -0.000 0.000) 23.100 22.840 ( -1.638 0.000 -0.000) 1.638 22.854 ( 7.320 -0.000 0.000) 7.320 23.512 ( -16.821 0.000 -0.000) 16.821 23.776 ( 23.780 -0.000 0.000) 23.780 24.175 ( -5.416 0.000 -0.000) 5.416 24.898 ( -5.726 0.000 -0.000) 5.726 24.958 ( -1.369 0.000 -0.000) 1.369 25.223 ( 6.658 -0.000 0.000) 6.658 25.661 ( -2.748 0.000 -0.000) 2.748 ======================= Grid point 44 (40/96) ======================= q-point: ( 0.51 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -0.000 4.524 5.454) 7.086 1.885 ( 0.000 -3.051 -7.839) 8.412 1.982 ( 0.000 -6.775 -8.583) 10.935 2.084 ( 0.000 13.931 0.407) 13.937 2.873 ( -0.000 -3.746 -2.474) 4.489 2.881 ( -0.000 3.320 3.797) 5.044 3.348 ( 0.000 2.837 -0.303) 2.854 3.400 ( 0.000 5.653 -0.529) 5.678 3.720 ( 0.000 14.855 8.726) 17.228 3.790 ( 0.000 -4.399 -14.999) 15.631 3.936 ( -0.000 2.487 7.902) 8.284 3.977 ( 0.000 -3.787 -5.752) 6.886 4.178 ( 0.000 3.127 -1.099) 3.314 4.372 ( 0.000 7.888 -10.533) 13.160 4.493 ( -0.000 0.831 17.993) 18.012 4.739 ( -0.000 2.311 5.117) 5.615 4.912 ( 0.000 4.092 -4.356) 5.976 4.973 ( 0.000 -5.296 -14.835) 15.752 5.300 ( -0.000 1.932 14.744) 14.870 5.409 ( 0.000 -5.805 -8.771) 10.518 5.498 ( -0.000 1.145 7.766) 7.850 5.887 ( 0.000 7.426 -12.375) 14.432 6.020 ( -0.000 -6.526 -0.830) 6.578 6.163 ( 0.000 1.363 -2.355) 2.721 6.755 ( -0.000 0.594 15.208) 15.220 6.953 ( -0.000 -4.121 3.729) 5.558 7.034 ( -0.000 6.918 9.306) 11.596 7.125 ( 0.000 1.274 -16.785) 16.834 7.644 ( -0.000 1.382 4.303) 4.520 7.749 ( 0.000 0.760 -5.114) 5.170 8.340 ( -0.000 -7.121 9.117) 11.569 8.552 ( 0.000 6.081 -2.508) 6.577 8.687 ( -0.000 -5.768 0.241) 5.773 8.710 ( -0.000 -16.471 2.051) 16.598 8.957 ( 0.000 2.040 -12.871) 13.032 8.990 ( 0.000 13.507 2.012) 13.656 9.575 ( -0.000 -10.322 -7.711) 12.884 9.653 ( 0.000 11.057 5.735) 12.456 9.898 ( 0.000 6.876 1.252) 6.989 9.939 ( 0.000 -2.419 -11.288) 11.544 10.124 ( -0.000 -7.203 10.329) 12.593 10.581 ( 0.000 5.035 -16.918) 17.652 11.410 ( -0.000 3.218 5.510) 6.381 11.502 ( 0.000 -5.598 -10.439) 11.845 11.991 ( -0.000 -13.068 -4.106) 13.698 12.200 ( 0.000 19.441 4.263) 19.903 12.689 ( -0.000 -4.311 11.021) 11.834 12.907 ( 0.000 1.603 -3.172) 3.554 13.346 ( -0.000 -2.909 15.515) 15.786 13.614 ( 0.000 -2.905 -11.894) 12.244 13.876 ( -0.000 -15.349 -2.689) 15.582 14.156 ( 0.000 13.201 -2.731) 13.480 15.817 ( -0.000 -10.108 6.098) 11.804 15.837 ( -0.000 -0.561 4.475) 4.510 15.997 ( -0.000 -7.211 3.546) 8.036 16.439 ( 0.000 9.856 -3.900) 10.600 16.989 ( -0.000 -3.613 13.320) 13.801 17.525 ( 0.000 13.679 -13.025) 18.888 18.250 ( -0.000 -0.625 37.711) 37.716 19.114 ( 0.000 -1.091 -46.557) 46.570 20.036 ( -0.000 7.231 34.997) 35.736 20.502 ( 0.000 18.713 14.931) 23.940 20.681 ( 0.000 -12.275 -18.212) 21.962 20.906 ( 0.000 -2.567 -44.121) 44.196 22.678 ( -0.000 -32.905 12.389) 35.160 22.787 ( -0.000 -29.380 28.201) 40.724 23.514 ( 0.000 16.519 -3.954) 16.986 24.048 ( 0.000 30.320 -21.610) 37.234 25.575 ( -0.000 -4.104 2.763) 4.947 25.701 ( -0.000 -7.253 5.966) 9.391 25.721 ( 0.000 3.325 -1.913) 3.836 25.989 ( 0.000 8.592 -5.186) 10.035 ======================= Grid point 45 (41/96) ======================= q-point: ( 0.37 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 10.839 3.183 9.468) 14.740 1.994 ( -3.502 21.862 1.521) 22.193 2.239 ( 3.860 0.153 -11.882) 12.494 2.347 ( 20.179 -2.144 -7.670) 21.694 2.811 ( 0.173 3.370 3.015) 4.525 2.892 ( -0.669 0.483 1.577) 1.780 3.291 ( -5.396 10.345 4.466) 12.493 3.378 ( -3.251 4.180 -2.738) 5.962 3.506 ( -3.201 7.945 7.011) 11.070 3.782 ( 0.343 4.239 6.385) 7.672 3.901 ( -0.688 10.940 3.148) 11.404 4.082 ( -3.040 2.041 1.227) 3.861 4.204 ( 1.354 1.070 7.249) 7.452 4.315 ( 10.020 10.326 -7.056) 16.026 4.514 ( -3.382 7.751 6.297) 10.544 4.622 ( 0.513 4.417 -6.457) 7.840 4.890 ( 1.024 5.302 16.669) 17.522 5.095 ( -2.340 -3.141 -4.985) 6.340 5.249 ( -3.110 -1.248 -11.493) 11.971 5.511 ( 0.823 2.602 1.696) 3.213 5.561 ( 8.563 6.265 -7.485) 12.985 5.916 ( 0.341 -2.277 3.042) 3.815 6.087 ( 4.176 1.996 -5.822) 7.437 6.429 ( 6.171 -2.442 -0.724) 6.677 6.586 ( 5.497 2.508 0.025) 6.042 6.675 ( -0.974 -0.389 12.059) 12.104 6.942 ( 2.744 -5.745 3.318) 7.179 7.309 ( 5.401 1.351 2.579) 6.136 7.548 ( -15.580 8.291 -4.555) 18.227 7.738 ( -6.352 0.833 2.225) 6.781 7.984 ( -4.180 -11.329 7.036) 13.975 8.463 ( -10.753 0.675 1.854) 10.933 8.636 ( 4.676 -11.902 3.413) 13.235 8.968 ( -0.337 9.526 -7.982) 12.433 9.030 ( 22.857 -4.672 0.911) 23.347 9.277 ( 0.377 -1.541 -6.501) 6.692 9.689 ( 2.554 -0.195 -1.511) 2.974 9.835 ( 17.729 4.466 -4.382) 18.801 10.030 ( 7.875 3.127 -8.908) 12.294 10.178 ( 8.600 -3.352 -1.668) 9.380 10.412 ( 6.860 -5.631 -22.816) 24.482 11.008 ( 6.031 -1.984 -15.745) 16.977 11.370 ( 4.694 4.633 2.924) 7.215 11.726 ( -0.447 -6.081 -10.247) 11.923 12.080 ( 1.955 -11.886 -1.232) 12.108 12.122 ( 1.105 19.513 3.295) 19.820 12.476 ( 1.715 -5.025 8.084) 9.672 12.873 ( -5.667 -3.102 2.393) 6.890 13.025 ( 3.133 -3.795 16.090) 16.826 13.811 ( -3.590 -0.344 -9.758) 10.403 13.960 ( -1.609 -11.760 -7.592) 14.090 14.226 ( -0.135 11.925 -5.339) 13.066 15.559 ( -5.131 -10.076 11.843) 16.374 15.790 ( 4.462 -5.983 4.593) 8.763 15.994 ( 2.181 -0.026 5.420) 5.842 16.301 ( 11.692 -6.445 16.006) 20.844 16.988 ( 0.156 12.471 -8.852) 15.294 17.579 ( -3.480 6.117 18.235) 19.546 17.717 ( 4.115 5.013 5.357) 8.412 19.174 ( -14.939 11.233 19.889) 27.294 20.131 ( 3.262 9.122 -11.204) 14.812 20.454 ( 18.709 8.333 -16.837) 26.513 21.012 ( -9.227 -18.240 -20.880) 29.220 21.777 ( -12.153 -16.675 -6.514) 21.637 22.052 ( -1.834 -16.894 -18.909) 25.423 22.759 ( 22.037 -32.344 17.541) 42.889 23.502 ( 0.315 11.267 2.376) 11.520 24.448 ( -2.497 22.343 -16.446) 27.856 25.346 ( -9.404 5.235 9.654) 14.458 25.532 ( -4.349 -4.226 7.821) 9.897 25.661 ( -3.356 5.767 1.066) 6.757 26.082 ( -2.159 6.521 -5.283) 8.666 ======================= Grid point 46 (42/96) ======================= q-point: ( 0.23 -0.09 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -3.011 12.800 -0.201) 13.151 1.979 ( 17.114 8.530 3.294) 19.403 2.399 ( -7.033 21.863 8.715) 24.565 2.612 ( -2.249 2.993 -1.223) 3.939 2.778 ( 4.925 -1.080 -2.195) 5.500 2.918 ( 11.835 -2.911 0.768) 12.212 3.138 ( -0.235 -0.329 0.825) 0.919 3.367 ( -1.891 0.559 1.539) 2.501 3.426 ( -2.109 1.125 -5.257) 5.775 3.655 ( -3.340 6.099 4.229) 8.138 3.841 ( -2.768 14.435 -0.046) 14.698 3.886 ( -3.817 4.328 7.634) 9.570 4.076 ( -7.262 4.692 7.913) 11.721 4.310 ( 1.844 0.746 3.127) 3.706 4.577 ( -10.149 6.702 -4.698) 13.038 4.617 ( 11.266 22.944 3.498) 25.799 4.835 ( 1.636 -3.270 -3.243) 4.887 5.091 ( -3.597 0.005 -2.351) 4.297 5.242 ( -5.674 0.609 3.568) 6.731 5.591 ( 9.002 3.614 -3.056) 10.171 5.750 ( -2.137 2.464 -3.727) 4.953 5.937 ( 2.763 -1.050 0.321) 2.973 6.269 ( -4.806 3.008 12.481) 13.708 6.339 ( 4.096 -1.342 1.122) 4.454 6.597 ( 10.258 2.231 -9.989) 14.491 6.988 ( 12.803 3.511 -4.425) 13.994 6.995 ( 1.071 -4.248 -5.839) 7.300 7.272 ( -3.276 -3.633 1.954) 5.268 7.449 ( 9.899 1.035 0.850) 9.989 7.554 ( -12.437 1.696 -2.510) 12.801 7.837 ( -0.754 -8.648 3.681) 9.429 8.125 ( -6.140 -11.641 13.340) 18.739 8.670 ( 4.676 -4.641 2.471) 7.037 9.128 ( -2.569 10.214 -6.857) 12.567 9.277 ( -3.779 -1.745 -8.481) 9.447 9.457 ( 0.263 -0.376 -1.470) 1.540 9.908 ( 12.535 2.392 -4.148) 13.418 10.087 ( 0.683 -6.652 -4.795) 8.229 10.379 ( 25.999 -12.921 8.769) 30.328 10.613 ( 8.792 3.817 -18.402) 20.749 10.971 ( 11.094 2.699 -10.985) 15.844 11.400 ( 11.956 -0.231 -6.515) 13.618 11.445 ( 9.104 0.272 2.378) 9.413 11.827 ( -2.956 0.410 -2.600) 3.958 12.048 ( -1.140 -2.829 2.760) 4.113 12.126 ( -0.570 3.204 -0.081) 3.255 12.418 ( -2.897 -3.606 2.402) 5.212 12.609 ( -10.444 -4.954 4.745) 12.495 12.935 ( 8.418 -4.981 4.345) 10.703 13.896 ( -2.977 4.367 -7.129) 8.874 14.130 ( -1.532 -4.133 -10.816) 11.680 14.389 ( -0.057 3.096 -10.527) 10.973 15.147 ( -4.208 -1.799 18.240) 18.805 15.675 ( 7.435 -11.524 13.756) 19.425 16.096 ( 11.999 -1.632 -2.898) 12.451 16.451 ( 19.616 -2.509 2.591) 19.944 17.057 ( -2.217 6.155 10.665) 12.512 17.296 ( -0.926 5.256 -6.781) 8.630 17.667 ( -1.266 3.454 5.058) 6.254 18.603 ( -10.175 17.342 10.389) 22.633 19.937 ( -2.825 7.742 17.561) 19.398 20.811 ( -15.518 -22.183 4.149) 27.388 21.474 ( 8.746 -0.117 -32.871) 34.015 21.836 ( 0.107 -14.282 -25.098) 28.877 22.692 ( 0.349 -3.488 -22.034) 22.311 22.843 ( 20.673 -29.761 17.469) 40.227 23.548 ( 16.333 -1.230 5.334) 17.226 24.490 ( -15.758 15.827 1.955) 22.419 24.936 ( -15.224 8.808 -1.458) 17.649 25.294 ( -5.764 2.276 2.019) 6.517 25.559 ( -1.694 5.580 5.503) 8.018 26.109 ( -3.419 4.323 -2.960) 6.256 ======================= Grid point 47 (43/96) ======================= q-point: ( 0.09 -0.09 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -18.269 19.194 -0.000) 26.499 2.054 ( -1.497 4.044 -0.000) 4.313 2.453 ( 20.075 -0.060 0.000) 20.075 2.612 ( -1.681 1.015 -0.000) 1.964 2.873 ( 2.991 -2.081 0.000) 3.644 2.961 ( -9.707 6.352 -0.000) 11.600 3.187 ( 4.030 -0.306 0.000) 4.042 3.404 ( -1.257 0.651 -0.000) 1.415 3.416 ( 0.867 -1.205 0.000) 1.484 3.535 ( -8.020 8.817 -0.000) 11.919 3.630 ( 0.679 4.693 -0.000) 4.742 3.725 ( -7.633 3.132 -0.000) 8.251 3.918 ( -1.496 -0.487 0.000) 1.574 4.289 ( 1.983 -1.717 0.000) 2.623 4.441 ( -10.157 6.991 -0.000) 12.330 4.705 ( -2.895 -0.787 0.000) 3.001 4.881 ( -4.369 1.416 -0.000) 4.592 5.050 ( 1.970 -5.564 0.000) 5.903 5.163 ( 1.613 3.140 -0.000) 3.530 5.748 ( 2.820 -5.667 0.000) 6.330 5.771 ( -4.652 0.171 -0.000) 4.655 6.001 ( 7.859 4.763 -0.000) 9.190 6.019 ( -0.478 14.224 -0.000) 14.232 6.450 ( 1.672 -2.282 0.000) 2.829 6.618 ( -10.698 3.305 -0.000) 11.196 7.101 ( 1.801 -1.362 0.000) 2.258 7.198 ( 0.825 -1.195 0.000) 1.452 7.357 ( 3.137 -5.184 0.000) 6.059 7.627 ( 6.705 -2.124 0.000) 7.033 7.650 ( 11.178 3.598 -0.000) 11.743 7.720 ( -1.122 -6.469 0.000) 6.566 7.829 ( -2.418 -7.345 0.000) 7.733 8.718 ( 2.823 4.056 -0.000) 4.942 9.107 ( -7.054 -2.174 0.000) 7.382 9.234 ( -5.216 9.506 -0.000) 10.843 9.488 ( 2.890 0.705 -0.000) 2.975 10.078 ( -1.268 -2.607 0.000) 2.899 10.124 ( 2.830 1.412 -0.000) 3.162 10.662 ( 3.431 -23.140 0.000) 23.393 11.040 ( 14.389 9.885 -0.000) 17.457 11.235 ( 6.806 -3.792 0.000) 7.791 11.720 ( 18.628 2.850 0.000) 18.844 11.726 ( -3.622 4.559 -0.000) 5.822 11.845 ( 20.666 4.106 -0.000) 21.070 11.979 ( -11.527 -7.360 0.000) 13.677 12.001 ( -0.299 1.384 -0.000) 1.416 12.189 ( -20.604 -5.962 0.000) 21.449 12.403 ( -1.795 5.576 -0.000) 5.858 13.007 ( 2.212 -4.507 0.000) 5.021 13.974 ( 0.344 -1.194 0.000) 1.243 14.220 ( -1.697 2.783 -0.000) 3.259 14.640 ( -2.309 0.941 -0.000) 2.494 14.770 ( 2.187 0.843 -0.000) 2.344 15.674 ( 6.634 -7.786 0.000) 10.229 16.334 ( 5.363 -0.830 0.000) 5.427 16.795 ( -4.068 0.094 -0.000) 4.069 16.984 ( 29.933 1.713 0.000) 29.982 17.387 ( -15.658 -3.181 0.000) 15.978 17.471 ( -0.304 3.188 -0.000) 3.202 18.323 ( -10.020 11.017 -0.000) 14.892 19.560 ( -6.739 -3.282 0.000) 7.495 20.647 ( 2.499 2.540 -0.000) 3.564 21.850 ( 0.493 0.139 -0.000) 0.512 22.391 ( 6.381 -7.507 0.000) 9.853 22.894 ( -3.499 4.092 -0.000) 5.384 22.923 ( 21.004 -30.005 0.000) 36.626 23.952 ( 23.639 -6.858 0.000) 24.614 23.999 ( -16.375 14.789 -0.000) 22.065 24.639 ( -21.181 9.423 -0.000) 23.182 25.313 ( -1.926 2.984 -0.000) 3.552 25.364 ( -2.886 2.731 -0.000) 3.974 26.076 ( -2.837 0.364 -0.000) 2.860 ======================= Grid point 49 (44/96) ======================= q-point: (-0.20 -0.09 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 2.576 -11.213 -6.120) 13.032 1.926 ( -6.921 -4.543 3.866) 9.137 2.393 ( -15.918 -0.504 -9.566) 18.578 2.684 ( -7.775 -4.211 -12.514) 15.323 2.751 ( -6.335 1.038 1.990) 6.721 2.972 ( -8.781 2.915 -0.094) 9.253 3.157 ( -0.239 -0.318 -0.654) 0.766 3.297 ( 4.266 -2.840 0.202) 5.129 3.375 ( -3.459 -5.861 -2.813) 7.364 3.605 ( 5.745 -8.496 -4.639) 11.257 3.804 ( -5.442 -1.286 -12.596) 13.782 4.033 ( -2.266 -1.178 -4.384) 5.073 4.134 ( -0.460 -17.266 1.117) 17.309 4.263 ( -2.201 3.002 -14.356) 14.831 4.372 ( -2.309 -5.564 -9.010) 10.838 4.603 ( -0.853 1.120 -2.408) 2.789 4.843 ( -0.926 -1.279 -7.639) 7.801 4.992 ( 3.492 -5.216 1.395) 6.430 5.222 ( 1.176 1.912 2.244) 3.174 5.440 ( -4.208 -3.985 0.929) 5.870 5.624 ( -5.200 -2.978 5.208) 7.939 5.967 ( -5.456 1.082 4.458) 7.128 6.297 ( -4.500 1.657 4.164) 6.351 6.392 ( -5.587 -8.281 -1.849) 10.159 6.635 ( 13.924 7.176 -8.675) 17.906 6.807 ( -8.427 -0.108 5.812) 10.238 6.957 ( -1.332 2.569 7.910) 8.423 7.219 ( 1.910 -0.701 2.542) 3.256 7.369 ( -1.599 -6.441 -3.286) 7.406 7.594 ( 5.494 0.468 -4.724) 7.261 7.974 ( 4.695 -2.447 -0.517) 5.319 8.398 ( 2.304 4.057 1.323) 4.849 8.679 ( -1.617 -8.049 4.157) 9.202 9.058 ( -0.464 11.202 -0.405) 11.219 9.192 ( 3.791 5.507 4.802) 8.231 9.444 ( 0.484 4.297 5.542) 7.030 9.859 ( -8.183 -1.434 -3.782) 9.128 10.037 ( -1.263 4.295 8.820) 9.891 10.166 ( -6.142 -2.296 15.679) 16.995 10.563 ( -11.665 -3.356 18.569) 22.184 10.809 ( -30.512 11.104 -0.895) 32.482 11.165 ( -8.922 -5.359 5.578) 11.808 11.499 ( -11.476 4.769 1.757) 12.551 11.807 ( -2.116 -10.742 -4.701) 11.915 11.848 ( -2.774 4.121 9.631) 10.837 12.315 ( 3.497 10.053 0.039) 10.644 12.581 ( 4.718 5.799 -5.294) 9.160 12.760 ( 10.373 3.255 -1.562) 10.984 13.107 ( -1.707 -1.651 -8.368) 8.698 13.669 ( 1.369 -5.422 4.717) 7.316 14.041 ( 1.716 -0.974 6.870) 7.148 14.121 ( -0.740 0.928 8.576) 8.658 15.539 ( 9.569 4.577 -12.579) 16.454 16.007 ( -6.348 0.192 6.438) 9.044 16.101 ( -2.772 5.557 -10.557) 12.248 16.447 ( -7.303 -9.534 6.956) 13.879 17.044 ( -11.262 5.656 -11.706) 17.200 17.269 ( 2.315 -10.884 -5.946) 12.617 17.947 ( -14.485 3.816 -22.161) 26.749 18.699 ( 16.353 -7.423 -21.530) 28.036 20.058 ( -4.726 -7.394 -7.152) 11.321 20.652 ( -12.744 -6.745 32.609) 35.655 21.121 ( 13.705 18.194 33.007) 40.104 21.948 ( 12.328 25.831 -8.255) 29.789 22.352 ( 0.680 10.933 15.807) 19.232 23.191 ( -5.040 -14.052 28.464) 32.141 23.795 ( -18.639 24.829 -15.693) 34.787 24.065 ( -2.886 -15.095 5.783) 16.421 24.795 ( 21.231 -17.433 -10.067) 29.258 25.458 ( 9.245 2.001 -9.168) 13.173 25.553 ( 0.071 -1.546 -3.366) 3.705 25.945 ( -0.477 -6.087 2.691) 6.672 ======================= Grid point 51 (45/96) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 30.824 -0.000) 30.824 0.735 ( 0.000 34.174 -0.000) 34.174 1.218 ( 0.000 62.547 -0.000) 62.547 2.179 ( -0.000 -0.244 0.000) 0.244 2.353 ( 0.000 12.991 -0.000) 12.991 2.649 ( 0.000 1.541 -0.000) 1.541 2.979 ( -0.000 -2.061 0.000) 2.061 3.014 ( -0.000 -3.454 0.000) 3.454 3.374 ( 0.000 0.115 -0.000) 0.115 3.488 ( -0.000 -6.214 0.000) 6.214 3.570 ( 0.000 11.439 -0.000) 11.439 3.636 ( 0.000 1.797 -0.000) 1.797 3.755 ( 0.000 7.788 -0.000) 7.788 3.757 ( 0.000 11.558 -0.000) 11.558 4.241 ( 0.000 4.041 -0.000) 4.041 4.530 ( -0.000 -3.885 0.000) 3.885 4.725 ( 0.000 13.170 -0.000) 13.170 4.811 ( 0.000 20.780 -0.000) 20.780 5.381 ( 0.000 2.176 -0.000) 2.176 5.389 ( 0.000 1.596 -0.000) 1.596 5.489 ( 0.000 2.012 -0.000) 2.012 5.514 ( 0.000 0.896 -0.000) 0.896 6.309 ( -0.000 -8.661 0.000) 8.661 6.347 ( -0.000 -2.086 0.000) 2.086 6.584 ( -0.000 -14.082 0.000) 14.082 6.634 ( -0.000 -3.414 0.000) 3.414 7.228 ( -0.000 -4.483 0.000) 4.483 7.283 ( 0.000 20.134 -0.000) 20.134 7.768 ( -0.000 -14.529 0.000) 14.529 7.775 ( -0.000 -4.576 0.000) 4.576 8.234 ( 0.000 1.593 -0.000) 1.593 8.394 ( -0.000 -9.605 0.000) 9.605 8.532 ( 0.000 0.959 -0.000) 0.959 8.551 ( 0.000 13.310 -0.000) 13.310 8.890 ( 0.000 10.877 -0.000) 10.877 9.556 ( -0.000 -5.433 0.000) 5.433 9.574 ( -0.000 -27.472 0.000) 27.472 10.053 ( -0.000 -1.165 0.000) 1.165 10.419 ( -0.000 -3.873 0.000) 3.873 10.498 ( 0.000 19.670 -0.000) 19.670 10.540 ( -0.000 -0.959 0.000) 0.959 11.010 ( 0.000 13.819 -0.000) 13.819 11.451 ( -0.000 -2.767 0.000) 2.767 11.575 ( 0.000 7.072 -0.000) 7.072 12.113 ( -0.000 -2.678 0.000) 2.678 12.505 ( -0.000 -17.164 0.000) 17.164 12.752 ( -0.000 -3.122 0.000) 3.122 12.898 ( -0.000 -13.654 0.000) 13.654 13.078 ( -0.000 -2.927 0.000) 2.927 13.584 ( 0.000 7.745 -0.000) 7.745 14.122 ( 0.000 21.332 -0.000) 21.332 14.584 ( -0.000 -5.492 0.000) 5.492 15.607 ( -0.000 -5.260 0.000) 5.260 15.650 ( -0.000 -25.259 0.000) 25.259 15.785 ( -0.000 -1.004 0.000) 1.004 16.152 ( -0.000 -2.135 0.000) 2.135 16.682 ( 0.000 22.440 -0.000) 22.440 17.090 ( 0.000 11.624 -0.000) 11.624 17.156 ( -0.000 -1.873 0.000) 1.873 18.570 ( 0.000 0.721 -0.000) 0.721 19.357 ( 0.000 5.173 -0.000) 5.173 21.989 ( -0.000 -2.301 0.000) 2.301 22.445 ( -0.000 -11.899 0.000) 11.899 22.693 ( -0.000 -12.449 0.000) 12.449 22.948 ( 0.000 1.810 -0.000) 1.810 22.987 ( -0.000 -31.572 0.000) 31.572 23.109 ( -0.000 -6.302 0.000) 6.302 24.347 ( 0.000 23.037 -0.000) 23.037 24.956 ( 0.000 11.213 -0.000) 11.213 25.192 ( -0.000 -2.759 0.000) 2.759 25.313 ( 0.000 0.616 -0.000) 0.616 25.767 ( 0.000 11.828 -0.000) 11.828 ======================= Grid point 53 (46/96) ======================= q-point: (-0.19 -0.10 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 9.844 -2.283 -8.060) 12.925 1.827 ( 7.232 5.291 -3.465) 9.608 2.374 ( 17.888 1.107 -10.775) 20.912 2.660 ( 10.922 -0.330 -8.384) 13.772 2.766 ( 4.226 -0.612 1.012) 4.388 2.979 ( 18.658 5.660 -7.524) 20.899 3.123 ( 0.963 3.007 -2.880) 4.273 3.190 ( -0.081 0.899 4.504) 4.593 3.360 ( -3.136 -2.059 -4.157) 5.600 3.461 ( -5.576 5.440 -5.817) 9.722 3.747 ( 4.172 11.554 -5.518) 13.467 3.855 ( 1.369 2.579 -15.278) 15.554 4.050 ( 1.759 -1.971 -3.440) 4.337 4.249 ( 1.855 5.453 -8.637) 10.382 4.425 ( 4.441 -10.700 -11.441) 16.282 4.663 ( 3.985 -3.338 1.982) 5.563 4.779 ( 0.677 5.404 -16.122) 17.017 4.857 ( 4.115 7.577 0.269) 8.626 5.279 ( -0.163 -4.787 -2.465) 5.387 5.397 ( 6.327 0.572 -1.021) 6.435 5.596 ( 7.286 -0.093 1.069) 7.364 5.996 ( 5.995 -0.684 13.046) 14.373 6.216 ( 3.399 6.831 0.340) 7.637 6.313 ( 0.801 1.208 -3.180) 3.494 6.578 ( 13.485 10.481 -1.173) 17.120 6.940 ( -8.381 -8.556 -1.748) 12.104 7.004 ( -7.274 -4.121 3.321) 8.996 7.222 ( 3.973 -1.076 0.111) 4.118 7.324 ( -4.031 -0.797 6.372) 7.581 7.607 ( -9.350 -0.662 -4.887) 10.571 7.863 ( -7.369 7.530 6.053) 12.151 8.452 ( 0.442 -1.468 1.572) 2.196 8.553 ( 3.402 4.779 3.975) 7.086 9.228 ( 6.327 -6.564 4.554) 10.191 9.322 ( -2.528 -6.331 3.044) 7.466 9.533 ( -3.873 -3.982 7.067) 8.989 9.813 ( 8.658 2.337 -2.626) 9.344 10.075 ( 1.037 0.740 11.103) 11.176 10.171 ( -0.660 -3.361 2.063) 3.998 10.495 ( 7.505 3.320 18.868) 20.576 10.866 ( 24.334 5.216 7.647) 26.036 11.135 ( 5.227 -3.089 3.246) 6.884 11.466 ( 4.667 8.178 -2.507) 9.744 11.883 ( 14.940 -16.287 7.908) 23.474 11.937 ( 4.791 -4.331 8.586) 10.744 12.489 ( -7.603 -8.891 -2.498) 11.962 12.676 ( -8.391 -3.791 -4.301) 10.163 12.857 ( -8.697 -6.347 -1.879) 10.929 13.021 ( 0.110 8.016 -6.694) 10.444 13.546 ( 4.780 6.547 2.073) 8.367 13.927 ( 7.064 6.893 8.002) 12.707 14.199 ( -4.953 -3.569 6.847) 9.173 15.632 ( -12.073 -5.352 -6.698) 14.808 15.933 ( -1.320 7.499 7.952) 11.009 16.216 ( 3.853 -4.865 -10.828) 12.480 16.287 ( 12.796 4.736 3.321) 14.043 17.045 ( 7.520 8.181 -2.644) 11.423 17.209 ( 3.155 -6.393 -16.648) 18.110 18.007 ( 17.371 -2.259 -22.856) 28.797 18.604 ( -20.561 2.868 -23.033) 31.008 19.949 ( 2.777 3.757 -14.017) 14.775 20.572 ( 9.434 2.255 46.710) 47.707 21.477 ( -13.676 -19.815 36.287) 43.548 22.260 ( -8.688 8.640 19.480) 23.013 22.496 ( -2.549 -15.980 -3.350) 16.525 23.143 ( 10.309 -10.543 19.173) 24.188 23.677 ( 6.030 17.871 7.972) 20.476 24.265 ( 4.641 -11.706 -9.765) 15.935 24.464 ( -12.793 11.323 -10.721) 20.170 25.447 ( -2.848 2.883 -11.054) 11.773 25.558 ( -4.410 -1.562 -5.895) 7.526 25.823 ( 1.536 5.808 0.196) 6.011 ======================= Grid point 54 (47/96) ======================= q-point: (-0.33 -0.10 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 3.982 -6.840 -3.284) 8.569 1.826 ( -1.458 -2.221 4.026) 4.823 2.816 ( 2.291 0.099 -2.806) 3.624 2.854 ( 9.200 2.620 0.113) 9.566 2.939 ( 8.639 1.832 1.296) 8.926 3.062 ( -7.255 2.328 -4.629) 8.916 3.165 ( 7.209 -0.517 2.458) 7.634 3.268 ( -5.898 1.029 -0.256) 5.993 3.454 ( 3.275 7.497 -7.580) 11.153 3.589 ( -1.980 3.244 -5.901) 7.019 3.917 ( 1.942 -1.704 -4.455) 5.150 4.049 ( 1.909 -0.095 0.555) 1.990 4.249 ( 5.832 -0.308 -12.808) 14.076 4.475 ( 4.933 2.877 -4.984) 7.580 4.555 ( -4.034 1.431 2.779) 5.103 4.699 ( 0.684 -4.861 1.133) 5.038 4.965 ( 3.555 -0.584 -4.274) 5.590 5.171 ( -5.864 -3.934 -15.416) 16.957 5.219 ( -0.536 -1.069 -1.489) 1.910 5.438 ( 1.643 -5.777 2.397) 6.467 5.764 ( 5.854 -3.690 3.881) 7.934 5.831 ( 7.824 3.551 16.961) 19.013 6.268 ( 6.755 2.559 -1.672) 7.414 6.433 ( -10.464 -1.572 -5.747) 12.041 6.493 ( -0.335 1.428 -5.580) 5.770 6.751 ( 2.958 -1.065 18.106) 18.377 7.030 ( -1.860 -5.765 -6.988) 9.248 7.171 ( -4.460 2.433 5.749) 7.673 7.402 ( 1.561 3.944 -12.589) 13.285 7.642 ( -2.536 9.989 1.836) 10.468 7.807 ( 9.105 3.997 -9.158) 13.519 8.241 ( -8.457 -3.359 10.415) 13.830 8.697 ( 8.675 1.085 -5.300) 10.224 9.033 ( -8.548 -2.979 7.824) 11.965 9.239 ( -0.446 -9.850 -0.820) 9.894 9.373 ( 0.540 -5.627 8.988) 10.618 9.877 ( 1.147 -0.116 2.072) 2.371 9.972 ( -0.002 1.286 6.311) 6.441 10.118 ( 1.260 1.819 -3.586) 4.213 10.266 ( 0.904 5.145 8.936) 10.351 11.142 ( 15.866 7.692 5.882) 18.588 11.212 ( 0.128 3.448 -2.247) 4.118 11.725 ( 12.918 3.676 -3.421) 13.860 11.909 ( 3.600 -7.443 4.055) 9.209 11.962 ( 4.577 -4.454 1.310) 6.520 12.182 ( -14.817 1.006 4.078) 15.401 12.690 ( -1.793 -7.936 -2.728) 8.582 12.732 ( -6.461 -7.239 -1.876) 9.883 13.239 ( 2.026 3.870 -10.531) 11.401 13.472 ( -0.884 2.400 8.045) 8.441 13.925 ( 6.978 1.173 5.248) 8.809 14.006 ( -6.411 -1.794 0.525) 6.678 15.583 ( -5.082 2.568 -6.332) 8.515 15.703 ( -0.901 7.677 8.975) 11.845 16.450 ( -3.782 -5.061 -10.851) 12.556 16.476 ( 12.331 -1.704 6.828) 14.198 17.252 ( 11.012 4.141 0.112) 11.765 17.414 ( -7.742 -1.673 -5.639) 9.723 18.828 ( -12.285 1.093 -38.074) 40.021 18.981 ( 23.130 1.525 -15.352) 27.803 19.731 ( 9.368 -5.926 30.611) 32.557 20.311 ( -21.954 -9.930 19.764) 31.164 20.688 ( 7.616 10.959 -13.384) 18.901 21.471 ( -11.646 25.096 31.859) 42.195 22.645 ( -4.244 -28.764 -14.680) 32.571 22.896 ( 7.346 -27.473 20.173) 34.867 23.769 ( 17.798 22.496 7.991) 29.778 24.021 ( -23.822 22.230 -7.747) 33.492 24.938 ( 13.562 -12.398 -11.880) 21.880 25.351 ( -13.492 -6.578 1.438) 15.079 25.690 ( 1.620 2.552 -6.344) 7.027 25.808 ( 0.281 3.945 3.492) 5.276 ======================= Grid point 58 (48/96) ======================= q-point: (-0.31 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 -8.246 -13.665) 15.960 1.579 ( 0.000 -5.922 -13.267) 14.528 2.046 ( -0.000 2.418 4.582) 5.180 2.218 ( 0.000 3.011 -1.248) 3.259 2.749 ( 0.000 -2.452 -3.102) 3.954 3.004 ( -0.000 2.367 2.438) 3.398 3.145 ( 0.000 -9.159 -28.891) 30.308 3.389 ( 0.000 3.256 -2.437) 4.067 3.476 ( 0.000 7.935 -7.922) 11.213 3.791 ( 0.000 -3.118 -6.627) 7.324 3.801 ( 0.000 -3.122 -4.096) 5.150 4.138 ( 0.000 3.608 1.788) 4.027 4.160 ( 0.000 0.375 -18.042) 18.046 4.221 ( -0.000 -0.927 3.919) 4.027 4.540 ( 0.000 -3.930 -10.763) 11.458 4.623 ( 0.000 3.764 -14.276) 14.764 4.775 ( -0.000 -6.070 -1.221) 6.191 4.870 ( 0.000 -10.931 -13.002) 16.986 5.234 ( -0.000 4.512 6.019) 7.523 5.445 ( -0.000 0.763 9.035) 9.067 5.533 ( 0.000 3.214 -20.546) 20.796 5.634 ( -0.000 -3.596 8.383) 9.122 6.126 ( -0.000 -1.771 6.280) 6.525 6.273 ( -0.000 -2.897 4.197) 5.100 6.498 ( 0.000 -0.807 -24.318) 24.331 6.933 ( -0.000 -3.807 6.747) 7.747 7.135 ( 0.000 6.298 2.383) 6.734 7.270 ( 0.000 4.065 -4.101) 5.774 7.810 ( 0.000 8.790 6.333) 10.834 7.911 ( 0.000 8.261 7.467) 11.135 8.177 ( -0.000 -9.022 -7.692) 11.856 8.332 ( -0.000 -7.291 -6.785) 9.960 8.463 ( -0.000 -10.992 4.485) 11.872 8.719 ( -0.000 -0.790 4.104) 4.179 8.781 ( 0.000 -0.771 -2.913) 3.014 9.277 ( -0.000 6.159 10.561) 12.226 9.442 ( -0.000 -2.192 6.067) 6.451 9.853 ( 0.000 1.987 0.167) 1.994 9.915 ( 0.000 6.416 1.293) 6.545 10.366 ( -0.000 -4.719 19.913) 20.465 10.393 ( 0.000 13.439 8.775) 16.050 10.516 ( 0.000 11.606 4.365) 12.399 11.186 ( -0.000 -7.439 -6.097) 9.618 11.474 ( -0.000 -4.720 -1.439) 4.935 11.769 ( -0.000 -3.039 3.160) 4.384 12.611 ( 0.000 19.713 -1.423) 19.764 12.865 ( -0.000 -0.592 9.961) 9.979 12.926 ( 0.000 7.377 -3.960) 8.373 13.305 ( 0.000 -2.411 -12.044) 12.282 13.442 ( -0.000 -18.191 1.033) 18.220 13.573 ( -0.000 -10.445 9.278) 13.971 14.286 ( 0.000 5.643 -1.555) 5.854 15.785 ( -0.000 -5.883 5.935) 8.356 15.915 ( -0.000 -8.842 3.735) 9.599 15.947 ( -0.000 0.450 5.908) 5.925 16.504 ( 0.000 13.751 -13.214) 19.071 17.045 ( -0.000 -11.178 5.656) 12.528 17.451 ( 0.000 15.424 -19.744) 25.054 18.273 ( 0.000 0.570 -34.016) 34.021 19.095 ( -0.000 -2.395 45.347) 45.410 19.883 ( 0.000 -1.523 -42.629) 42.656 20.025 ( 0.000 -5.844 -13.594) 14.797 21.028 ( -0.000 2.990 32.369) 32.507 21.380 ( -0.000 21.220 24.394) 32.332 22.384 ( -0.000 -22.912 14.817) 27.286 22.838 ( -0.000 -27.899 32.233) 42.630 23.754 ( 0.000 18.221 -7.054) 19.539 24.191 ( 0.000 27.970 -20.813) 34.864 25.352 ( 0.000 -8.913 -9.550) 13.063 25.382 ( -0.000 -15.771 -5.653) 16.753 25.814 ( 0.000 1.417 -1.207) 1.861 26.005 ( 0.000 3.925 -6.860) 7.904 ======================= Grid point 59 (49/96) ======================= q-point: (-0.46 -0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.207 -2.154 -12.093) 12.285 2.022 ( 4.690 1.086 -1.003) 4.917 2.089 ( 22.393 -1.134 -3.225) 22.652 2.335 ( 5.946 6.906 -5.201) 10.493 2.812 ( 0.401 -2.375 -2.902) 3.771 2.937 ( 0.513 1.899 3.738) 4.224 3.342 ( -7.008 4.162 -2.428) 8.505 3.561 ( -0.566 6.280 0.728) 6.348 3.721 ( 0.701 -3.146 -19.455) 19.720 3.792 ( -4.646 -0.100 3.094) 5.583 3.872 ( -4.373 -3.221 -7.281) 9.083 4.087 ( 2.759 5.670 2.750) 6.879 4.262 ( 2.351 3.152 -3.577) 5.316 4.506 ( -1.421 4.761 -0.970) 5.062 4.523 ( -1.128 2.982 -0.484) 3.225 4.785 ( 2.736 1.632 -4.477) 5.495 4.912 ( 2.346 -0.804 -10.078) 10.378 5.057 ( 0.799 4.229 8.768) 9.767 5.235 ( 0.924 -5.716 13.337) 14.539 5.355 ( 9.059 -6.090 -12.088) 16.287 5.566 ( 2.186 2.329 -3.943) 5.074 5.927 ( -5.240 5.067 -18.129) 19.540 5.994 ( 4.634 -1.899 8.064) 9.492 6.175 ( 2.750 -4.909 0.910) 5.700 6.726 ( -0.804 -4.092 1.039) 4.297 6.959 ( -4.848 7.210 1.542) 8.825 7.146 ( -2.966 7.382 16.928) 18.704 7.179 ( 6.431 1.575 -14.212) 15.679 7.705 ( -2.865 2.036 -5.447) 6.483 7.777 ( -2.237 8.002 3.948) 9.199 8.003 ( -12.235 -9.039 8.374) 17.365 8.300 ( -7.928 -13.846 -1.718) 16.047 8.452 ( 0.758 -4.602 -3.201) 5.657 8.836 ( 17.669 -5.076 -0.884) 18.405 9.126 ( -1.527 2.779 0.937) 3.306 9.241 ( 10.482 5.179 -0.301) 11.696 9.467 ( 5.202 -4.085 -6.202) 9.067 9.898 ( -3.675 1.016 1.583) 4.129 9.945 ( 1.259 1.856 -4.462) 4.995 10.098 ( 17.046 5.354 -2.993) 18.117 10.410 ( 15.296 10.911 8.950) 20.812 10.736 ( 14.341 1.525 -5.091) 15.294 11.372 ( 0.706 -7.559 -9.756) 12.362 11.517 ( 4.908 3.610 1.744) 6.338 11.791 ( 2.574 -10.205 -2.767) 10.882 12.548 ( -4.365 10.961 5.018) 12.821 12.641 ( 0.503 5.383 8.923) 10.433 12.931 ( -1.563 3.233 3.327) 4.896 13.270 ( 1.935 -4.907 13.638) 14.623 13.509 ( -2.828 -8.899 -9.838) 13.563 13.594 ( 3.223 -10.017 -5.791) 12.011 14.316 ( -3.811 6.844 -4.931) 9.256 15.581 ( -1.734 -8.989 9.296) 13.047 15.800 ( -1.271 -2.381 4.381) 5.146 16.007 ( 7.384 -0.632 -0.933) 7.470 16.594 ( 3.013 5.043 9.086) 10.819 16.979 ( -0.154 -0.800 -3.943) 4.026 17.741 ( -2.785 8.803 -9.042) 12.923 18.304 ( 7.129 -0.161 39.998) 40.629 19.057 ( -1.400 -1.136 -37.491) 37.534 20.143 ( -6.225 2.944 -3.071) 7.540 20.347 ( -10.617 7.849 -0.486) 13.212 20.961 ( 7.050 -4.678 -38.190) 39.116 21.188 ( 22.131 21.399 21.284) 37.426 21.698 ( -21.376 -28.537 19.826) 40.796 22.544 ( 20.659 -30.124 22.306) 42.800 23.755 ( -5.912 14.022 -2.799) 15.472 24.589 ( 0.191 22.509 -12.809) 25.899 25.280 ( -11.773 -12.815 -6.920) 18.727 25.563 ( 2.145 -5.365 2.766) 6.406 25.801 ( -3.354 5.586 -0.079) 6.516 26.047 ( -6.371 2.808 -5.815) 9.072 ======================= Grid point 60 (50/96) ======================= q-point: ( 0.40 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 6.965 1.521 3.666) 8.016 2.053 ( -8.269 3.425 -10.729) 13.972 2.479 ( 8.315 7.663 -4.942) 12.341 2.709 ( 14.318 0.285 -2.270) 14.500 2.882 ( 1.971 1.091 -1.567) 2.744 2.933 ( 6.149 0.152 1.722) 6.387 3.258 ( -6.949 1.201 -2.940) 7.641 3.448 ( -4.329 -0.364 6.033) 7.434 3.499 ( -8.344 14.674 9.596) 19.418 3.752 ( -9.434 2.622 -1.472) 9.902 3.906 ( -7.386 -5.897 -3.538) 10.092 4.072 ( 1.187 2.438 9.205) 9.597 4.283 ( -4.155 -5.518 -2.860) 7.476 4.357 ( 2.926 2.043 2.710) 4.481 4.693 ( -2.933 3.346 6.334) 7.741 4.758 ( 0.286 10.630 3.127) 11.084 4.958 ( -10.543 -1.354 -4.340) 11.481 4.982 ( 1.933 1.405 0.437) 2.429 5.182 ( 1.750 -1.125 -4.911) 5.334 5.625 ( 4.768 3.451 -5.152) 7.822 5.788 ( 4.988 1.902 -1.546) 5.558 5.916 ( 4.855 -1.116 -0.008) 4.982 6.271 ( 7.951 4.671 -8.518) 12.554 6.405 ( 0.282 -1.803 -11.162) 11.310 6.584 ( -1.008 3.453 8.268) 9.017 6.875 ( 2.253 1.781 -1.014) 3.045 6.908 ( 1.050 -0.803 -0.298) 1.356 7.310 ( -10.865 -2.990 2.534) 11.550 7.502 ( -8.350 0.908 12.722) 15.245 7.685 ( 8.051 3.820 3.140) 9.449 7.824 ( 2.049 -1.076 0.181) 2.322 8.081 ( -7.989 -16.545 8.074) 20.069 8.659 ( 11.485 0.402 -2.042) 11.672 9.051 ( -8.782 -2.798 -6.014) 11.005 9.139 ( 5.321 5.791 -5.572) 9.638 9.449 ( 9.845 6.458 -3.252) 12.216 9.775 ( 5.165 -4.482 -8.068) 10.576 9.942 ( 1.384 0.579 -5.287) 5.496 10.169 ( 0.878 -2.066 -13.025) 13.217 10.513 ( 9.731 -0.337 2.738) 10.115 10.675 ( 17.058 0.215 -13.626) 21.833 11.253 ( 24.716 2.840 -4.652) 25.309 11.568 ( 1.971 -4.138 -4.760) 6.608 11.609 ( 7.510 0.506 0.934) 7.584 11.924 ( 3.261 -7.218 -2.728) 8.377 12.347 ( -8.315 1.400 0.929) 8.483 12.480 ( -0.984 8.602 7.941) 11.748 12.715 ( -2.623 -0.868 10.428) 10.788 13.066 ( 3.477 -1.111 11.466) 12.033 13.663 ( -2.248 -6.611 -10.703) 12.779 13.827 ( 3.437 -1.777 -10.672) 11.352 14.342 ( -5.211 5.224 -6.269) 9.682 15.372 ( -0.772 -3.254 8.517) 9.150 15.724 ( 3.079 -7.502 6.632) 10.476 16.124 ( 5.363 1.893 4.437) 7.214 16.528 ( 20.216 -1.743 10.843) 23.006 17.120 ( -4.482 4.716 -11.740) 13.422 17.607 ( -4.717 5.775 17.183) 18.731 17.792 ( 1.038 -3.796 14.517) 15.041 19.207 ( -7.272 18.114 10.033) 21.946 20.159 ( -15.442 -15.132 0.702) 21.632 20.542 ( 1.567 0.951 -17.967) 18.060 20.990 ( 3.057 -8.762 -7.526) 11.949 21.345 ( 11.044 16.666 -1.542) 20.053 21.971 ( 5.636 -5.861 -33.591) 34.561 22.591 ( 23.410 -31.950 16.206) 42.796 23.710 ( 1.914 7.504 1.505) 7.889 24.673 ( -11.412 12.717 -7.280) 18.573 25.189 ( -11.091 1.053 -0.044) 11.141 25.314 ( -6.963 -2.783 8.799) 11.561 25.720 ( -3.854 5.973 0.897) 7.165 26.052 ( -6.306 -0.574 -6.071) 8.772 ======================= Grid point 61 (51/96) ======================= q-point: ( 0.26 -0.11 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -11.435 11.846 -1.134) 16.503 2.117 ( -5.475 -5.088 1.417) 7.607 2.678 ( 4.017 6.483 0.920) 7.682 2.689 ( -4.264 12.915 10.185) 16.992 2.834 ( 1.631 -0.104 -0.444) 1.693 3.090 ( -5.607 1.609 1.514) 6.027 3.145 ( 7.633 0.184 -2.381) 7.997 3.336 ( -2.522 1.243 -0.220) 2.820 3.386 ( -1.938 0.145 -7.000) 7.265 3.610 ( -7.183 2.557 -2.827) 8.132 3.709 ( -15.461 -3.885 3.142) 16.249 3.896 ( 1.475 -0.444 4.916) 5.151 4.159 ( -2.771 12.729 13.154) 18.513 4.241 ( -15.301 -18.815 -1.587) 24.303 4.402 ( 1.652 1.298 10.972) 11.171 4.618 ( -12.688 2.473 -3.864) 13.492 4.851 ( -0.588 3.269 -2.572) 4.201 5.108 ( -5.791 -1.995 1.576) 6.324 5.172 ( 1.208 -2.351 1.960) 3.291 5.739 ( 7.937 -2.015 8.141) 11.547 5.849 ( -2.093 10.698 -6.694) 12.792 6.003 ( -7.491 3.225 -1.834) 8.359 6.357 ( 0.473 6.676 -2.829) 7.266 6.400 ( -2.402 5.644 -2.850) 6.764 6.772 ( 1.689 3.588 0.658) 4.020 6.968 ( -5.482 -1.295 -3.177) 6.468 7.004 ( 0.969 -7.906 -1.459) 8.098 7.164 ( 7.460 -2.596 -1.382) 8.019 7.394 ( 5.590 -4.151 -11.024) 13.039 7.629 ( -1.539 -6.504 0.622) 6.712 7.727 ( -6.589 -9.722 7.241) 13.798 7.994 ( 18.484 3.380 10.878) 21.712 8.849 ( -0.092 7.235 -4.752) 8.657 9.039 ( -1.030 0.557 -1.165) 1.652 9.352 ( 0.622 11.049 -7.780) 13.527 9.579 ( 2.417 6.828 1.348) 7.368 9.917 ( -2.285 -8.248 -2.492) 8.914 10.147 ( 6.080 3.627 -5.533) 8.985 10.231 ( -1.869 -18.831 1.621) 18.993 10.862 ( 7.739 -4.042 -15.837) 18.084 11.257 ( 12.532 5.921 -8.556) 16.288 11.568 ( 0.397 -6.623 -2.135) 6.970 11.739 ( 7.010 -3.482 -0.018) 7.827 11.866 ( 20.657 2.865 -3.667) 21.175 12.009 ( -5.684 1.914 -3.431) 6.909 12.120 ( -5.480 -3.690 3.131) 7.311 12.184 ( -2.185 8.098 14.721) 16.943 12.588 ( 1.008 5.427 4.207) 6.940 12.930 ( 0.555 -5.809 4.173) 7.174 13.824 ( -2.715 -3.508 -7.964) 9.117 14.182 ( 2.806 5.306 -13.581) 14.848 14.377 ( -3.836 -0.903 -8.815) 9.656 15.172 ( 2.707 6.905 14.174) 15.997 15.605 ( 8.605 -12.767 11.925) 19.474 16.231 ( 4.556 -0.382 -6.560) 7.997 16.836 ( 12.868 0.572 4.194) 13.546 17.180 ( 0.139 4.736 2.852) 5.530 17.245 ( -1.364 -0.699 3.459) 3.783 17.541 ( -5.949 -3.505 3.258) 7.635 18.658 ( -26.671 10.199 14.734) 32.132 19.594 ( -3.037 -12.246 12.253) 17.587 20.950 ( 16.477 21.081 -0.873) 26.770 21.645 ( 2.164 -4.398 -25.796) 26.258 21.750 ( 15.318 1.203 -19.013) 24.446 22.603 ( 12.354 -15.984 -7.139) 21.426 22.747 ( 10.580 -13.470 1.349) 17.181 23.871 ( 18.908 -1.741 0.893) 19.009 24.429 ( -14.956 9.542 9.125) 19.950 24.746 ( -19.230 7.808 -1.384) 20.801 25.231 ( -4.656 1.233 -4.616) 6.671 25.569 ( -4.974 2.613 6.231) 8.390 26.021 ( -6.400 -2.440 -3.086) 7.513 ======================= Grid point 62 (52/96) ======================= q-point: ( 0.11 -0.11 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -18.166 19.239 -0.000) 26.460 1.715 ( -19.556 -8.169 0.000) 21.193 2.583 ( -13.205 0.212 -0.000) 13.207 2.753 ( 3.114 4.006 -0.000) 5.074 2.754 ( -12.073 -2.116 -0.000) 12.258 2.867 ( 0.527 -1.480 0.000) 1.571 3.200 ( -7.067 0.768 -0.000) 7.109 3.363 ( -2.846 0.530 -0.000) 2.895 3.371 ( -0.408 -1.464 0.000) 1.519 3.548 ( -1.405 -8.978 0.000) 9.088 3.549 ( -7.841 9.261 -0.000) 12.134 3.738 ( -9.668 -13.097 0.000) 16.279 3.887 ( -0.768 -3.195 0.000) 3.286 4.047 ( -0.198 5.379 -0.000) 5.382 4.347 ( 4.495 0.900 -0.000) 4.584 4.537 ( -15.511 6.514 -0.000) 16.824 4.625 ( -10.162 -8.537 0.000) 13.272 4.945 ( -2.189 -4.686 0.000) 5.172 5.238 ( 2.862 0.495 0.000) 2.904 5.727 ( -10.475 5.604 -0.000) 11.880 5.763 ( -18.013 -4.329 0.000) 18.526 5.856 ( 11.844 -0.165 0.000) 11.845 6.365 ( -2.798 2.591 -0.000) 3.813 6.593 ( 3.248 4.411 -0.000) 5.478 6.661 ( -17.314 -10.171 0.000) 20.081 6.695 ( 5.476 3.491 -0.000) 6.494 7.154 ( 3.143 1.360 -0.000) 3.424 7.299 ( 3.591 -4.054 0.000) 5.416 7.481 ( -9.830 -2.923 0.000) 10.255 7.752 ( 10.541 -7.142 0.000) 12.733 7.834 ( 6.987 4.442 -0.000) 8.280 8.106 ( 13.078 3.605 -0.000) 13.566 8.854 ( -6.281 -5.138 0.000) 8.114 9.060 ( 6.156 19.095 -0.000) 20.063 9.437 ( 1.751 10.442 -0.000) 10.588 9.602 ( 0.692 5.174 -0.000) 5.220 9.846 ( -5.215 -8.916 0.000) 10.330 10.213 ( 1.302 -24.178 0.000) 24.213 10.313 ( 4.546 4.353 -0.000) 6.294 11.211 ( -1.945 -3.622 0.000) 4.111 11.305 ( -2.975 -5.498 0.000) 6.251 11.587 ( -13.794 -1.751 -0.000) 13.904 11.761 ( -10.900 -0.498 -0.000) 10.911 11.765 ( -6.080 16.723 -0.000) 17.794 11.981 ( 10.666 -1.314 0.000) 10.747 12.315 ( 15.442 3.265 -0.000) 15.784 12.368 ( 22.149 2.733 0.000) 22.317 12.443 ( -6.068 10.992 -0.000) 12.555 12.965 ( 5.325 -7.845 0.000) 9.482 13.808 ( -8.253 -5.181 0.000) 9.744 14.237 ( -3.961 -0.938 0.000) 4.071 14.594 ( -1.149 0.530 -0.000) 1.265 15.044 ( 9.850 12.963 -0.000) 16.280 15.665 ( 8.223 -8.339 0.000) 11.711 16.447 ( 2.374 3.851 -0.000) 4.524 16.669 ( -4.701 -3.848 0.000) 6.075 16.878 ( -26.893 -3.148 -0.000) 27.077 17.465 ( -4.771 1.570 -0.000) 5.023 17.543 ( 8.699 5.022 -0.000) 10.044 17.843 ( -15.146 -11.067 0.000) 18.759 19.560 ( 6.270 -0.194 0.000) 6.273 21.348 ( 24.497 29.878 -0.000) 38.637 21.909 ( 2.021 2.253 -0.000) 3.027 22.454 ( 10.517 -3.204 0.000) 10.994 22.847 ( 30.242 -29.146 0.000) 42.001 22.904 ( -3.160 3.497 -0.000) 4.713 23.955 ( -13.231 10.900 -0.000) 17.143 24.338 ( 18.446 -0.623 0.000) 18.457 24.467 ( -11.867 9.739 -0.000) 15.351 25.257 ( -7.712 -2.063 0.000) 7.983 25.297 ( -4.121 1.450 -0.000) 4.368 25.932 ( -5.487 -5.630 0.000) 7.861 ======================= Grid point 65 (53/96) ======================= q-point: ( 0.27 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 30.555 10.384) 32.272 1.323 ( 0.000 15.156 7.864) 17.075 2.146 ( 0.000 -0.825 -2.199) 2.349 2.562 ( 0.000 40.968 15.588) 43.833 2.566 ( 0.000 9.092 -14.956) 17.503 2.717 ( 0.000 6.715 4.310) 7.979 2.826 ( -0.000 2.452 4.387) 5.026 3.209 ( 0.000 5.578 5.216) 7.637 3.447 ( -0.000 0.132 4.437) 4.439 3.493 ( -0.000 1.789 8.580) 8.765 3.647 ( 0.000 6.836 -4.146) 7.995 3.850 ( 0.000 11.431 2.437) 11.688 3.973 ( 0.000 13.041 2.819) 13.343 4.056 ( -0.000 6.044 6.299) 8.730 4.370 ( 0.000 13.270 -3.303) 13.675 4.520 ( -0.000 -1.372 8.336) 8.449 4.753 ( 0.000 2.565 -6.376) 6.873 5.182 ( 0.000 11.173 -0.116) 11.174 5.389 ( -0.000 -1.062 2.331) 2.562 5.402 ( 0.000 4.077 -3.292) 5.240 5.444 ( 0.000 4.115 -8.843) 9.753 5.839 ( 0.000 19.133 5.001) 19.775 6.018 ( -0.000 -9.013 -5.654) 10.639 6.201 ( 0.000 4.744 0.503) 4.771 6.338 ( -0.000 -1.970 2.347) 3.064 6.856 ( -0.000 -13.020 11.443) 17.334 7.088 ( -0.000 -9.740 -1.485) 9.852 7.361 ( -0.000 -9.545 -7.933) 12.412 7.708 ( 0.000 6.289 5.015) 8.043 7.757 ( -0.000 -2.220 5.203) 5.657 8.157 ( -0.000 -14.314 1.704) 14.415 8.266 ( 0.000 8.896 -4.082) 9.788 8.616 ( 0.000 5.588 3.003) 6.344 8.869 ( 0.000 6.757 2.792) 7.311 9.067 ( 0.000 10.884 -7.530) 13.235 9.084 ( -0.000 -24.760 5.625) 25.391 9.475 ( -0.000 -1.539 2.184) 2.672 9.961 ( 0.000 -2.658 -6.023) 6.584 10.216 ( 0.000 -5.533 -9.123) 10.669 10.362 ( 0.000 -2.096 -10.666) 10.870 10.828 ( 0.000 2.749 -3.120) 4.159 11.208 ( 0.000 10.173 -10.297) 14.475 11.296 ( 0.000 -4.155 -5.136) 6.606 11.707 ( 0.000 14.560 -2.157) 14.719 11.994 ( 0.000 -1.974 -6.858) 7.136 12.274 ( -0.000 -16.299 7.466) 17.928 12.510 ( -0.000 -10.267 -4.850) 11.355 12.777 ( -0.000 -5.848 11.734) 13.110 13.002 ( -0.000 -4.714 0.145) 4.716 13.818 ( 0.000 15.231 -1.041) 15.266 14.205 ( 0.000 11.626 -15.264) 19.187 14.339 ( 0.000 -8.326 -8.197) 11.684 15.616 ( -0.000 -11.519 12.430) 16.947 15.702 ( -0.000 -21.429 30.515) 37.287 15.777 ( -0.000 -2.413 6.402) 6.842 16.081 ( -0.000 -2.853 -1.514) 3.230 16.907 ( 0.000 21.133 -13.728) 25.201 17.216 ( -0.000 0.909 10.216) 10.257 17.432 ( 0.000 14.883 3.380) 15.262 18.752 ( -0.000 4.534 14.162) 14.870 19.643 ( -0.000 9.534 11.148) 14.669 21.279 ( 0.000 -1.048 -50.023) 50.034 21.965 ( -0.000 -24.576 -21.171) 32.437 22.228 ( -0.000 -14.556 5.778) 15.660 22.705 ( -0.000 -28.948 15.854) 33.005 22.740 ( 0.000 -6.887 -17.524) 18.829 23.203 ( -0.000 1.674 10.214) 10.351 24.478 ( 0.000 20.857 -21.453) 29.921 25.186 ( -0.000 3.729 5.399) 6.562 25.279 ( 0.000 14.645 4.986) 15.470 25.516 ( -0.000 0.072 12.703) 12.703 25.993 ( 0.000 12.088 -2.177) 12.283 ======================= Grid point 66 (54/96) ======================= q-point: ( 0.13 -0.13 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 12.443 27.735 -0.000) 30.398 1.337 ( 15.924 15.125 -0.000) 21.963 1.984 ( -20.784 29.807 -0.000) 36.337 2.550 ( 24.530 2.056 0.000) 24.616 2.718 ( 3.104 1.313 -0.000) 3.370 2.899 ( -3.121 -3.464 0.000) 4.663 2.953 ( 14.133 22.067 -0.000) 26.204 3.178 ( 12.927 14.068 -0.000) 19.105 3.383 ( 0.496 0.670 -0.000) 0.834 3.414 ( 1.632 -0.701 0.000) 1.776 3.628 ( -4.636 6.580 -0.000) 8.049 3.718 ( -10.026 14.034 -0.000) 17.248 3.936 ( -0.999 17.360 -0.000) 17.389 3.977 ( -0.795 6.630 -0.000) 6.678 4.372 ( -1.356 -4.766 0.000) 4.955 4.569 ( 8.236 15.883 -0.000) 17.892 4.728 ( -8.796 4.586 -0.000) 9.920 5.115 ( -3.366 5.801 -0.000) 6.707 5.267 ( -2.548 1.462 -0.000) 2.938 5.422 ( 0.952 3.089 -0.000) 3.232 5.679 ( 0.868 13.240 -0.000) 13.269 6.073 ( 23.644 19.955 -0.000) 30.939 6.099 ( -2.047 -11.172 0.000) 11.358 6.310 ( 3.926 -4.297 0.000) 5.820 6.326 ( -3.527 -11.916 0.000) 12.427 6.660 ( 9.369 -3.876 0.000) 10.139 7.147 ( 1.926 -6.561 0.000) 6.838 7.326 ( -3.515 10.517 -0.000) 11.088 7.467 ( -0.641 -14.226 0.000) 14.241 8.055 ( -1.639 -3.227 0.000) 3.619 8.119 ( 2.624 -19.789 0.000) 19.962 8.121 ( -26.379 3.617 -0.000) 26.626 8.710 ( 14.506 -9.499 0.000) 17.339 8.991 ( 2.193 12.076 -0.000) 12.274 9.317 ( 13.065 11.521 -0.000) 17.419 9.324 ( 18.899 -14.901 0.000) 24.066 9.672 ( 40.794 -22.272 0.000) 46.478 9.946 ( -5.922 -1.451 0.000) 6.098 10.309 ( -0.552 -6.463 0.000) 6.486 10.653 ( 12.747 0.199 0.000) 12.749 10.741 ( -5.018 15.204 -0.000) 16.010 11.351 ( 3.022 8.390 -0.000) 8.917 11.404 ( 3.688 -5.700 0.000) 6.789 11.734 ( -2.345 11.160 -0.000) 11.403 12.080 ( 1.121 -2.140 0.000) 2.416 12.180 ( 1.938 -13.200 0.000) 13.341 12.551 ( -2.483 -9.551 0.000) 9.869 12.845 ( 14.020 -12.851 0.000) 19.019 12.913 ( -8.460 -5.394 0.000) 10.034 13.783 ( -3.249 15.977 -0.000) 16.304 14.376 ( -4.075 0.176 -0.000) 4.078 14.547 ( 3.014 7.340 -0.000) 7.934 15.088 ( -7.111 -19.003 0.000) 20.290 15.563 ( 7.438 -10.602 0.000) 12.951 15.865 ( 11.443 -1.415 0.000) 11.530 16.226 ( 11.126 -6.203 0.000) 12.739 16.939 ( -7.433 9.964 -0.000) 12.431 17.242 ( 6.923 4.678 -0.000) 8.355 17.342 ( -2.809 19.502 -0.000) 19.703 18.502 ( -10.229 4.891 -0.000) 11.338 19.577 ( 5.264 6.288 -0.000) 8.201 21.725 ( -23.154 -30.991 0.000) 38.685 21.920 ( -1.127 -3.392 0.000) 3.574 22.431 ( 2.365 -15.177 0.000) 15.361 22.739 ( 23.367 -33.638 0.000) 40.958 22.962 ( -2.878 3.212 -0.000) 4.313 23.182 ( 19.127 -9.081 0.000) 21.173 24.534 ( -19.540 18.230 -0.000) 26.724 25.153 ( -4.518 1.430 -0.000) 4.739 25.225 ( 1.181 12.866 -0.000) 12.921 25.282 ( -3.301 3.716 -0.000) 4.971 26.013 ( -0.202 11.855 -0.000) 11.857 ======================= Grid point 68 (55/96) ======================= q-point: (-0.16 -0.13 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.745 -1.672 -3.883) 4.293 2.004 ( 2.566 2.701 12.357) 12.907 2.676 ( 6.591 -1.395 -14.327) 15.832 2.827 ( 6.952 0.545 -10.045) 12.228 2.871 ( 7.356 -1.348 -2.991) 8.055 3.045 ( -3.698 2.485 -1.334) 4.651 3.143 ( -1.193 -0.643 -1.920) 2.350 3.258 ( 1.909 -0.886 -0.157) 2.110 3.446 ( 3.911 2.647 -1.502) 4.956 3.498 ( -4.520 5.528 -2.368) 7.523 3.902 ( 2.504 2.909 -9.925) 10.642 4.059 ( 0.364 1.272 4.961) 5.134 4.139 ( 1.415 2.857 -7.067) 7.753 4.282 ( 0.193 -6.169 -19.114) 20.085 4.481 ( 7.426 10.701 -4.644) 13.828 4.641 ( 3.612 -0.347 -8.256) 9.018 4.786 ( -4.378 3.511 -0.393) 5.626 4.961 ( -1.354 -4.896 5.694) 7.631 5.250 ( 3.216 -0.694 -1.502) 3.617 5.471 ( -0.915 -2.223 9.362) 9.666 5.785 ( 11.066 3.773 -0.108) 11.692 6.082 ( 5.124 -3.595 1.306) 6.394 6.229 ( -13.900 1.478 -9.865) 17.109 6.364 ( -0.662 1.630 3.133) 3.593 6.584 ( 3.676 -4.379 14.549) 15.632 6.805 ( -0.827 0.318 -1.629) 1.855 7.070 ( 0.986 -3.706 14.863) 15.350 7.169 ( -1.487 -2.081 -6.581) 7.061 7.467 ( 6.206 13.978 -0.700) 15.309 7.573 ( 2.217 0.786 -5.540) 6.019 7.955 ( 4.009 6.444 -1.189) 7.682 8.281 ( -9.811 -6.282 1.652) 11.767 8.712 ( 2.289 4.807 1.310) 5.483 9.000 ( -4.679 -9.975 -1.054) 11.068 9.100 ( -4.141 -5.762 6.014) 9.302 9.455 ( 0.927 -2.720 4.677) 5.490 9.949 ( 1.642 1.552 1.231) 2.573 10.043 ( -0.613 -1.816 3.938) 4.379 10.219 ( 1.147 2.883 15.903) 16.203 10.730 ( 4.684 5.468 17.646) 19.058 11.209 ( 5.883 -1.863 -1.677) 6.395 11.467 ( 17.435 9.179 7.616) 21.124 11.734 ( 11.434 -4.475 -0.231) 12.280 11.854 ( 3.662 1.301 -4.854) 6.218 11.868 ( -2.728 -4.936 6.445) 8.564 12.204 ( -6.218 -3.383 -0.378) 7.088 12.391 ( -13.292 -6.217 -7.860) 16.647 12.597 ( -3.522 -2.318 -3.693) 5.605 13.123 ( 0.136 1.894 -6.311) 6.590 13.682 ( 1.665 2.848 7.992) 8.646 13.970 ( -3.894 -3.722 6.084) 8.126 14.156 ( 1.878 1.855 8.850) 9.235 15.403 ( -3.936 -1.281 -12.435) 13.106 16.043 ( -1.518 6.456 6.906) 9.575 16.147 ( 1.415 -5.398 -7.965) 9.726 16.661 ( 10.851 3.043 10.907) 15.683 17.164 ( 0.527 -2.297 -12.746) 12.962 17.304 ( 4.916 2.903 -2.795) 6.356 18.121 ( -3.481 -4.057 -26.753) 27.282 18.559 ( 7.899 6.413 -21.527) 23.810 20.124 ( 2.527 10.266 -8.403) 13.505 20.709 ( -10.544 -6.927 24.582) 27.631 20.999 ( 7.052 3.562 27.720) 28.823 21.628 ( -17.736 -26.664 -7.336) 32.854 22.334 ( -2.873 3.212 19.934) 20.395 23.327 ( 7.628 -0.969 37.358) 38.141 24.058 ( -7.940 16.310 -10.070) 20.748 24.200 ( 21.850 -16.456 -10.937) 29.459 24.406 ( -13.108 7.736 -8.832) 17.597 25.288 ( -5.930 -0.828 -2.879) 6.643 25.566 ( 0.841 0.005 -4.479) 4.557 25.960 ( 1.058 3.501 2.898) 4.666 ======================= Grid point 69 (56/96) ======================= q-point: (-0.30 -0.13 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 6.025 -6.344 -2.968) 9.239 1.769 ( 1.609 -2.074 11.081) 11.388 2.823 ( -1.992 0.085 -3.955) 4.429 2.875 ( -8.451 1.119 -0.379) 8.533 2.936 ( -7.640 3.744 -3.516) 9.206 3.110 ( -10.690 -1.958 1.240) 10.938 3.187 ( 5.423 3.950 -1.441) 6.862 3.324 ( 5.866 -3.228 2.905) 7.299 3.622 ( 3.173 3.113 -6.646) 7.996 3.693 ( 0.950 -0.906 -20.871) 20.912 3.781 ( 1.658 2.871 8.307) 8.944 4.146 ( -0.968 -0.291 11.837) 11.880 4.297 ( -0.320 -3.203 -8.565) 9.149 4.494 ( -4.248 0.640 1.438) 4.530 4.571 ( -0.418 -0.641 2.990) 3.087 4.620 ( 3.260 -3.990 -1.691) 5.423 4.981 ( 0.084 0.534 -8.860) 8.876 5.047 ( 1.444 0.661 -15.085) 15.168 5.190 ( -1.135 -1.693 2.869) 3.519 5.366 ( 5.173 -7.026 5.983) 10.579 5.748 ( -5.332 0.626 3.445) 6.379 5.961 ( -6.019 0.677 19.846) 20.750 6.226 ( 2.927 1.990 -7.617) 8.400 6.389 ( 4.427 -2.874 0.302) 5.287 6.511 ( 0.365 1.823 -7.900) 8.116 6.769 ( -3.495 1.009 11.992) 12.532 6.938 ( 1.087 -3.763 -8.716) 9.555 7.144 ( -0.199 -1.337 8.245) 8.355 7.661 ( 2.732 5.454 -11.076) 12.644 7.762 ( -0.675 3.596 -4.877) 6.097 7.961 ( -6.078 -0.590 6.800) 9.139 8.056 ( 9.103 0.086 6.286) 11.063 8.826 ( 0.284 2.356 -3.848) 4.521 8.911 ( -1.602 0.617 5.343) 5.612 8.991 ( 0.122 -6.796 -7.847) 10.381 9.266 ( 1.127 -4.989 13.421) 14.363 9.895 ( -1.182 0.569 -0.283) 1.343 9.974 ( -1.432 0.507 7.477) 7.630 10.077 ( -5.625 4.822 -9.605) 12.131 10.426 ( -0.302 -0.573 15.847) 15.861 11.177 ( -16.119 8.676 -5.144) 19.014 11.407 ( -7.815 0.903 7.749) 11.042 11.686 ( -8.004 -1.484 -0.259) 8.145 11.739 ( -6.344 -5.389 0.259) 8.328 12.052 ( 0.521 4.264 -0.727) 4.357 12.124 ( 4.254 -2.016 0.644) 4.752 12.485 ( 3.880 -1.696 -7.973) 9.027 12.652 ( 6.201 -5.911 1.513) 8.699 13.310 ( 1.613 0.483 -9.862) 10.004 13.503 ( 0.479 1.769 9.917) 10.085 13.878 ( -2.159 2.275 -2.168) 3.813 14.033 ( 2.633 -2.678 6.918) 7.871 15.615 ( 1.276 3.679 -10.931) 11.604 15.837 ( 0.838 4.648 9.268) 10.402 16.300 ( -4.618 -0.696 -7.679) 8.988 16.537 ( -0.104 -6.355 9.884) 11.751 17.286 ( -6.148 4.779 -6.069) 9.873 17.423 ( 4.230 -3.438 -0.142) 5.453 18.698 ( -8.416 5.887 -38.069) 39.430 19.261 ( -2.791 -11.638 -26.434) 29.018 19.687 ( 5.813 1.459 37.882) 38.353 19.926 ( 3.387 -1.461 33.015) 33.220 21.412 ( 13.298 26.445 -19.772) 35.596 21.624 ( -16.858 -14.420 -28.301) 35.960 21.697 ( -12.350 10.093 22.118) 27.269 22.759 ( 16.835 -26.043 35.417) 47.075 23.983 ( -20.031 24.386 -12.397) 33.906 24.362 ( 1.660 -2.132 1.256) 2.979 24.919 ( 13.992 -9.899 -11.216) 20.484 25.129 ( 6.916 -3.528 11.332) 13.736 25.723 ( -0.191 1.147 -8.466) 8.545 25.893 ( 1.214 0.890 6.234) 6.413 ======================= Grid point 70 (57/96) ======================= q-point: ( 0.56 -0.13 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 4.686 5.179 5.781) 9.067 1.837 ( 3.852 -2.090 -3.303) 5.488 2.539 ( -22.648 -0.658 6.174) 23.484 2.670 ( -19.356 -0.959 -6.041) 20.299 2.829 ( -2.718 3.874 3.343) 5.794 2.970 ( -2.161 -3.800 -2.996) 5.300 3.239 ( 2.022 6.184 3.320) 7.304 3.360 ( 3.216 -5.237 3.670) 7.158 3.553 ( -4.433 10.263 16.879) 20.246 3.724 ( 4.713 4.065 6.090) 8.707 3.947 ( 5.061 -3.267 -4.953) 7.799 3.978 ( -5.435 4.025 -2.488) 7.206 4.205 ( -2.171 1.658 10.113) 10.475 4.393 ( -6.030 0.641 -7.897) 9.957 4.568 ( -0.705 -2.324 9.419) 9.728 4.637 ( 1.238 0.841 4.411) 4.658 4.951 ( -2.327 3.860 1.600) 4.782 5.132 ( -1.873 -5.797 -4.133) 7.362 5.247 ( 6.560 -2.378 20.376) 21.538 5.383 ( 3.044 0.768 -4.518) 5.501 5.563 ( -9.681 2.503 2.108) 10.219 5.764 ( -5.889 4.201 -15.330) 16.951 6.254 ( -5.222 1.224 1.547) 5.582 6.517 ( -4.733 4.602 2.398) 7.024 6.570 ( -1.025 -6.190 -7.792) 10.004 6.692 ( 13.665 1.607 -1.883) 13.887 6.955 ( 2.458 -2.836 6.650) 7.635 7.160 ( -0.818 -5.475 -5.884) 8.079 7.545 ( -1.898 8.941 11.306) 14.538 7.705 ( -0.266 -0.873 4.638) 4.727 8.000 ( 7.565 8.618 2.719) 11.785 8.269 ( 5.318 -4.707 -9.389) 11.772 8.678 ( -3.549 9.280 3.400) 10.501 8.978 ( -2.072 -8.532 -5.547) 10.385 9.141 ( 3.788 -4.627 -0.444) 5.996 9.279 ( 1.207 -4.851 -9.939) 11.125 9.852 ( -2.306 0.520 -2.528) 3.461 9.919 ( -7.054 1.062 -8.224) 10.887 10.048 ( -7.897 -4.728 8.135) 12.285 10.201 ( -11.011 3.141 -13.638) 17.807 10.827 ( -26.210 3.096 0.018) 26.392 11.037 ( -18.281 -7.921 -5.591) 20.693 11.485 ( -10.160 2.896 1.314) 10.646 11.672 ( -5.542 -3.368 -6.614) 9.263 11.928 ( -1.573 11.169 6.297) 12.918 12.276 ( 2.788 -12.032 -3.195) 12.758 12.690 ( 5.811 -1.612 2.578) 6.558 12.754 ( 7.031 -4.454 -0.752) 8.357 13.319 ( 1.697 3.241 11.144) 11.729 13.544 ( 2.719 1.980 -7.834) 8.526 13.917 ( -2.290 8.343 -5.502) 10.253 14.023 ( 3.648 -7.482 -0.226) 8.327 15.742 ( 6.958 -0.685 7.419) 10.194 15.862 ( 0.926 3.559 -7.983) 8.789 16.282 ( -6.896 2.556 -0.977) 7.419 16.304 ( -4.991 -3.826 3.303) 7.103 17.275 ( -3.618 6.595 2.703) 7.993 17.349 ( -2.315 -4.862 6.665) 8.568 18.522 ( -15.321 -0.934 32.234) 35.702 19.117 ( 5.207 -1.901 2.602) 6.124 19.634 ( 0.410 8.509 -13.756) 16.180 20.364 ( 14.330 -15.587 -36.250) 41.980 20.762 ( -15.238 18.761 26.277) 35.702 21.717 ( -17.109 -19.129 -24.909) 35.765 22.426 ( 15.340 12.659 -7.375) 21.212 22.630 ( 18.652 -15.881 -1.805) 24.564 23.863 ( -14.665 22.757 -9.883) 28.821 24.109 ( -14.274 -23.327 10.170) 29.178 25.041 ( 18.768 16.023 12.404) 27.619 25.464 ( 13.190 -8.946 -4.595) 16.587 25.732 ( 0.419 1.791 9.703) 9.876 25.872 ( 0.149 2.885 -4.501) 5.349 ======================= Grid point 72 (58/96) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 0.000 -21.213) 21.213 1.137 ( 0.000 0.000 -21.612) 21.612 2.137 ( -0.000 -0.000 2.352) 2.352 2.220 ( -0.000 -0.000 0.382) 0.382 2.284 ( 0.000 0.000 -43.778) 43.778 2.676 ( 0.000 0.000 -2.096) 2.096 3.063 ( -0.000 -0.000 0.592) 0.592 3.288 ( 0.000 0.000 -14.340) 14.340 3.397 ( -0.000 -0.000 0.463) 0.463 3.678 ( 0.000 0.000 -2.580) 2.580 3.705 ( 0.000 0.000 -2.662) 2.662 3.781 ( 0.000 0.000 -16.800) 16.800 4.028 ( 0.000 0.000 -13.720) 13.720 4.084 ( 0.000 0.000 -25.067) 25.067 4.185 ( 0.000 0.000 -0.456) 0.456 4.443 ( 0.000 0.000 -9.280) 9.280 4.530 ( -0.000 -0.000 7.795) 7.795 4.813 ( -0.000 -0.000 2.849) 2.849 5.243 ( 0.000 0.000 -15.257) 15.257 5.303 ( 0.000 0.000 -0.060) 0.060 5.517 ( 0.000 0.000 -4.814) 4.814 5.919 ( -0.000 -0.000 18.851) 18.851 5.920 ( 0.000 0.000 -17.712) 17.712 5.957 ( 0.000 0.000 -12.417) 12.417 6.419 ( -0.000 -0.000 0.028) 0.028 6.938 ( 0.000 0.000 -1.524) 1.524 7.283 ( -0.000 -0.000 3.359) 3.359 7.393 ( -0.000 -0.000 14.179) 14.179 7.897 ( 0.000 0.000 -5.364) 5.364 8.060 ( 0.000 0.000 -7.406) 7.406 8.162 ( -0.000 -0.000 10.010) 10.010 8.172 ( -0.000 -0.000 3.355) 3.355 8.463 ( -0.000 -0.000 4.966) 4.966 8.747 ( -0.000 -0.000 0.294) 0.294 8.857 ( -0.000 -0.000 8.646) 8.646 9.539 ( -0.000 -0.000 3.120) 3.120 9.597 ( -0.000 -0.000 11.813) 11.813 10.036 ( -0.000 -0.000 14.254) 14.254 10.039 ( -0.000 -0.000 2.974) 2.974 10.342 ( 0.000 0.000 -11.917) 11.917 10.665 ( -0.000 -0.000 13.587) 13.587 11.079 ( -0.000 -0.000 5.578) 5.578 11.160 ( -0.000 -0.000 26.466) 26.466 11.360 ( 0.000 0.000 -0.065) 0.065 11.903 ( -0.000 -0.000 8.534) 8.534 12.684 ( 0.000 0.000 -17.837) 17.837 13.032 ( -0.000 -0.000 5.628) 5.628 13.034 ( 0.000 0.000 -5.467) 5.467 13.050 ( 0.000 0.000 -10.583) 10.583 13.072 ( -0.000 -0.000 3.549) 3.549 13.646 ( -0.000 -0.000 7.263) 7.263 14.357 ( -0.000 -0.000 4.371) 4.371 15.822 ( 0.000 0.000 -1.476) 1.476 15.903 ( -0.000 -0.000 11.342) 11.342 16.069 ( -0.000 -0.000 4.840) 4.840 16.305 ( 0.000 0.000 -20.379) 20.379 16.946 ( 0.000 0.000 -0.140) 0.140 17.251 ( 0.000 0.000 -19.888) 19.888 17.715 ( 0.000 0.000 -22.261) 22.261 19.130 ( 0.000 0.000 -28.606) 28.606 19.760 ( 0.000 0.000 -7.201) 7.201 19.959 ( -0.000 -0.000 42.185) 42.185 21.546 ( -0.000 -0.000 22.228) 22.228 22.135 ( -0.000 -0.000 23.639) 23.639 22.531 ( -0.000 -0.000 17.403) 17.403 23.202 ( -0.000 -0.000 32.252) 32.252 23.793 ( 0.000 0.000 -10.110) 10.110 24.051 ( 0.000 0.000 -25.184) 25.184 25.001 ( 0.000 0.000 -11.161) 11.161 25.064 ( 0.000 0.000 -5.425) 5.425 25.751 ( 0.000 0.000 -4.346) 4.346 25.833 ( 0.000 0.000 -13.019) 13.019 ======================= Grid point 73 (59/96) ======================= q-point: (-0.29 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 4.517 0.000 -12.924) 13.691 1.770 ( 16.173 -0.000 -14.227) 21.540 2.226 ( 16.361 -0.000 6.417) 17.574 2.274 ( 5.946 -0.000 -4.305) 7.341 2.738 ( 1.251 -0.000 -1.970) 2.334 3.029 ( 0.889 -0.000 0.822) 1.211 3.127 ( 5.727 0.000 -26.700) 27.307 3.331 ( -7.617 0.000 -3.968) 8.589 3.588 ( -1.789 0.000 -6.614) 6.852 3.711 ( -4.956 0.000 -7.469) 8.963 3.718 ( -2.579 0.000 -3.865) 4.646 4.166 ( 0.475 0.000 -17.396) 17.403 4.176 ( 0.039 -0.000 0.993) 0.994 4.242 ( 3.196 -0.000 -4.946) 5.888 4.541 ( 3.507 -0.000 -6.115) 7.050 4.675 ( 5.565 0.000 -17.782) 18.633 4.739 ( -0.329 -0.000 3.059) 3.077 4.952 ( 16.374 -0.000 -22.106) 27.510 5.268 ( -0.575 -0.000 4.464) 4.501 5.494 ( 3.968 -0.000 14.894) 15.414 5.573 ( -3.002 0.000 5.973) 6.685 5.588 ( 0.186 0.000 -13.642) 13.643 6.165 ( 7.076 -0.000 4.491) 8.381 6.184 ( -2.136 0.000 -0.923) 2.327 6.473 ( -1.626 0.000 -13.353) 13.452 7.051 ( 11.428 -0.000 -0.338) 11.433 7.124 ( -7.796 0.000 4.073) 8.796 7.298 ( -0.531 0.000 -8.618) 8.634 7.710 ( -13.001 0.000 13.407) 18.675 7.761 ( -19.178 0.000 -15.408) 24.601 7.959 ( -15.919 0.000 -1.931) 16.036 8.241 ( 9.139 -0.000 8.696) 12.615 8.393 ( 1.054 -0.000 1.380) 1.736 8.837 ( 22.446 -0.000 4.634) 22.920 9.313 ( -2.464 -0.000 10.399) 10.687 9.315 ( 25.722 -0.000 5.054) 26.214 9.425 ( 0.206 -0.000 6.972) 6.975 9.893 ( 1.248 -0.000 1.166) 1.708 10.057 ( 4.122 -0.000 6.913) 8.049 10.272 ( 5.373 -0.000 12.840) 13.919 10.494 ( -2.840 0.000 -6.211) 6.830 11.034 ( 27.660 -0.000 19.329) 33.744 11.107 ( 1.619 0.000 -5.323) 5.564 11.475 ( 6.064 -0.000 -4.228) 7.393 11.763 ( 2.415 -0.000 6.416) 6.855 12.774 ( -8.637 0.000 8.174) 11.892 12.941 ( -2.317 0.000 3.275) 4.012 13.055 ( -2.921 0.000 -1.383) 3.232 13.055 ( 2.169 0.000 -11.051) 11.262 13.328 ( 4.711 -0.000 -5.828) 7.494 13.513 ( 5.916 -0.000 10.136) 11.736 14.296 ( -4.313 0.000 -2.100) 4.797 15.667 ( -1.581 -0.000 9.587) 9.717 15.854 ( -3.154 0.000 2.160) 3.823 15.992 ( 6.410 -0.000 0.657) 6.443 16.669 ( -2.034 0.000 -16.359) 16.484 16.874 ( 0.117 -0.000 4.509) 4.510 17.612 ( -1.253 0.000 -14.067) 14.122 18.318 ( 5.482 0.000 -30.975) 31.456 19.222 ( 13.526 -0.000 48.396) 50.251 19.566 ( -18.920 0.000 -31.803) 37.005 20.197 ( 11.152 0.000 -25.359) 27.703 21.079 ( 1.568 -0.000 31.191) 31.230 21.821 ( -23.885 0.000 25.144) 34.680 21.890 ( 23.278 -0.000 18.080) 29.475 22.740 ( 15.935 -0.000 29.662) 33.672 23.813 ( -11.643 0.000 -9.273) 14.885 24.619 ( 8.025 0.000 -16.372) 18.233 24.858 ( -21.519 0.000 -10.069) 23.758 25.424 ( 8.199 -0.000 -6.416) 10.411 25.820 ( -1.082 0.000 -2.798) 3.000 25.950 ( -9.006 0.000 -7.137) 11.491 ======================= Grid point 74 (60/96) ======================= q-point: (-0.43 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.102 0.000 -10.712) 10.712 2.045 ( -3.644 0.000 -6.386) 7.352 2.498 ( 14.948 -0.000 2.832) 15.214 2.668 ( 20.271 -0.000 -2.362) 20.409 2.813 ( 1.835 -0.000 -2.914) 3.444 2.987 ( 3.970 -0.000 2.867) 4.897 3.234 ( -7.992 0.000 -2.042) 8.249 3.537 ( -7.053 0.000 -1.069) 7.134 3.553 ( -6.717 0.000 -9.379) 11.536 3.694 ( -9.196 0.000 -2.109) 9.434 3.813 ( 3.121 -0.000 -5.987) 6.752 4.126 ( -2.250 -0.000 5.142) 5.613 4.376 ( 4.953 -0.000 -4.806) 6.901 4.523 ( -0.449 -0.000 16.603) 16.609 4.591 ( 2.761 0.000 -14.520) 14.781 4.736 ( -7.085 0.000 -10.326) 12.523 5.044 ( 5.258 -0.000 -8.278) 9.806 5.084 ( 0.413 -0.000 13.121) 13.127 5.156 ( -1.249 -0.000 12.573) 12.635 5.558 ( 9.576 -0.000 0.501) 9.589 5.653 ( 5.680 -0.000 -7.491) 9.400 5.882 ( -3.045 0.000 -27.301) 27.470 6.103 ( 8.651 -0.000 13.303) 15.868 6.213 ( 6.342 -0.000 -4.917) 8.025 6.681 ( 0.578 0.000 -9.886) 9.903 6.840 ( -13.042 0.000 2.347) 13.251 7.128 ( -5.200 -0.000 18.189) 18.917 7.307 ( -5.909 0.000 -1.987) 6.234 7.611 ( -5.272 0.000 -15.930) 16.780 7.677 ( -5.652 0.000 -3.178) 6.484 7.847 ( -0.660 0.000 -6.190) 6.225 8.042 ( -1.289 -0.000 18.340) 18.385 8.569 ( 13.119 -0.000 -4.637) 13.915 9.053 ( -6.050 0.000 6.724) 9.045 9.153 ( 13.279 -0.000 1.016) 13.318 9.487 ( 1.733 0.000 -9.944) 10.094 9.563 ( 15.215 -0.000 6.044) 16.371 9.866 ( -0.766 0.000 0.988) 1.250 9.952 ( -0.134 0.000 -6.454) 6.456 10.495 ( -6.504 0.000 -2.247) 6.882 10.564 ( 24.016 -0.000 -0.465) 24.021 11.282 ( -0.028 0.000 -8.646) 8.646 11.360 ( 28.255 -0.000 5.524) 28.790 11.730 ( 9.527 -0.000 -4.665) 10.608 11.761 ( 8.183 -0.000 4.368) 9.276 12.407 ( -13.790 0.000 5.231) 14.749 12.766 ( -1.182 -0.000 6.945) 7.045 12.922 ( -4.383 0.000 7.176) 8.408 13.284 ( -0.519 -0.000 9.364) 9.379 13.343 ( 2.571 0.000 -10.803) 11.105 13.644 ( 9.341 -0.000 -3.663) 10.034 14.264 ( -7.457 0.000 -5.995) 9.568 15.470 ( -0.498 -0.000 6.906) 6.924 15.720 ( -3.726 0.000 0.910) 3.835 16.194 ( 9.954 -0.000 0.726) 9.980 16.810 ( 13.467 -0.000 12.864) 18.624 16.893 ( -5.928 0.000 -13.292) 14.554 17.698 ( -8.782 0.000 -3.648) 9.510 18.453 ( 5.701 -0.000 39.557) 39.966 19.201 ( 19.111 -0.000 -21.878) 29.049 19.857 ( -16.474 0.000 -26.763) 31.427 20.533 ( 1.643 -0.000 16.265) 16.348 20.757 ( -24.627 0.000 16.146) 29.448 21.055 ( 1.528 0.000 -34.652) 34.686 22.159 ( 35.828 -0.000 16.060) 39.262 22.493 ( 16.414 -0.000 25.758) 30.544 23.774 ( -8.316 0.000 -7.047) 10.900 24.614 ( -25.610 0.000 -12.205) 28.369 24.999 ( 5.521 -0.000 -7.531) 9.338 25.525 ( -2.283 -0.000 7.298) 7.647 25.812 ( -2.930 0.000 -0.201) 2.937 25.864 ( -10.512 0.000 -8.693) 13.641 ======================= Grid point 75 (61/96) ======================= q-point: ( 0.43 -0.14 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -6.195 0.000 -7.439) 9.680 2.045 ( -5.342 0.000 -2.253) 5.798 2.730 ( 9.903 -0.000 -1.504) 10.017 2.848 ( 1.752 -0.000 0.771) 1.914 2.905 ( -1.557 0.000 -1.096) 1.904 3.086 ( -10.151 0.000 0.360) 10.158 3.150 ( 9.473 -0.000 -0.551) 9.489 3.330 ( -5.101 0.000 5.942) 7.831 3.476 ( -6.617 0.000 2.350) 7.022 3.566 ( -15.596 0.000 -8.453) 17.739 3.784 ( -5.034 -0.000 16.712) 17.454 3.883 ( 0.500 -0.000 -0.526) 0.726 4.141 ( -3.801 -0.000 14.424) 14.917 4.547 ( 5.485 -0.000 2.633) 6.085 4.568 ( -15.736 0.000 -0.549) 15.746 4.722 ( -2.575 -0.000 15.889) 16.096 4.826 ( -2.014 0.000 -5.471) 5.830 5.098 ( -4.020 0.000 -1.794) 4.403 5.155 ( 4.897 -0.000 4.232) 6.473 5.682 ( -3.272 0.000 -12.069) 12.504 5.933 ( 7.636 -0.000 1.838) 7.854 6.021 ( 4.726 -0.000 2.768) 5.476 6.330 ( -10.032 0.000 -13.705) 16.984 6.433 ( -11.267 0.000 6.061) 12.794 6.551 ( 8.191 -0.000 -14.666) 16.798 6.926 ( 4.243 -0.000 0.106) 4.244 6.969 ( 3.977 -0.000 1.774) 4.355 7.104 ( -2.370 0.000 -6.447) 6.869 7.492 ( -3.081 0.000 3.740) 4.846 7.537 ( -8.866 0.000 15.552) 17.902 7.666 ( -8.582 0.000 -2.049) 8.824 8.151 ( 15.946 -0.000 0.632) 15.958 8.816 ( -10.108 0.000 -0.290) 10.113 8.980 ( 14.164 -0.000 -6.143) 15.439 9.356 ( 4.850 -0.000 -5.514) 7.343 9.658 ( -4.844 0.000 -7.024) 8.532 9.785 ( 13.845 -0.000 4.017) 14.416 10.007 ( 3.070 0.000 -10.244) 10.694 10.092 ( -5.268 0.000 -0.856) 5.337 10.476 ( 0.154 0.000 -13.067) 13.068 11.075 ( 16.156 -0.000 -8.247) 18.139 11.405 ( -5.756 0.000 -8.033) 9.882 11.814 ( 4.419 -0.000 8.678) 9.739 11.820 ( 19.276 -0.000 -3.045) 19.515 12.013 ( 10.283 -0.000 -3.848) 10.979 12.054 ( -12.019 0.000 -0.241) 12.022 12.638 ( 0.062 -0.000 14.260) 14.261 12.685 ( 3.877 -0.000 2.773) 4.767 13.025 ( -5.382 0.000 10.048) 11.399 13.590 ( 0.443 0.000 -9.683) 9.693 13.954 ( 8.202 -0.000 -10.049) 12.971 14.238 ( -8.734 0.000 -6.671) 10.990 15.395 ( 4.341 -0.000 3.323) 5.467 15.674 ( 1.765 -0.000 4.012) 4.383 16.217 ( 2.493 -0.000 6.061) 6.553 16.976 ( -12.858 0.000 -12.165) 17.701 16.976 ( 21.440 -0.000 8.029) 22.894 17.484 ( -13.563 0.000 0.145) 13.564 17.819 ( 9.629 -0.000 33.330) 34.693 19.238 ( -36.963 0.000 23.340) 43.715 19.625 ( 13.202 -0.000 11.027) 17.202 20.749 ( -3.955 0.000 -33.953) 34.183 20.888 ( 17.675 -0.000 -28.562) 33.588 21.791 ( 5.196 0.000 -22.730) 23.316 22.389 ( 11.948 -0.000 8.522) 14.675 22.558 ( 35.102 -0.000 15.548) 38.392 23.834 ( 1.938 0.000 -7.142) 7.400 24.379 ( -25.900 0.000 -15.249) 30.055 25.078 ( -13.132 0.000 16.790) 21.316 25.158 ( 2.490 -0.000 -0.955) 2.667 25.709 ( -4.647 0.000 3.303) 5.701 25.885 ( -6.029 0.000 -6.159) 8.618 ======================= Grid point 76 (62/96) ======================= q-point: ( 0.29 -0.14 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -13.893 0.000 8.867) 16.482 1.878 ( -16.463 0.000 -0.676) 16.477 2.580 ( -13.156 0.000 7.377) 15.083 2.775 ( -24.038 0.000 1.802) 24.106 2.836 ( -0.537 -0.000 1.775) 1.854 2.884 ( 5.091 -0.000 3.412) 6.129 3.241 ( -19.378 0.000 -0.053) 19.379 3.300 ( 3.105 -0.000 -0.306) 3.120 3.341 ( -3.411 0.000 -4.236) 5.439 3.350 ( -2.437 0.000 -8.528) 8.869 3.472 ( 0.480 -0.000 8.021) 8.036 3.838 ( -5.846 0.000 2.993) 6.568 3.902 ( 0.756 -0.000 6.690) 6.732 4.334 ( -13.664 0.000 -4.961) 14.537 4.350 ( 4.721 -0.000 14.602) 15.346 4.477 ( 2.768 -0.000 7.322) 7.827 4.769 ( -17.272 0.000 11.283) 20.630 4.894 ( -1.173 0.000 -4.688) 4.833 5.233 ( 4.654 -0.000 -0.240) 4.660 5.669 ( -16.045 0.000 -4.584) 16.687 5.894 ( -5.211 0.000 3.064) 6.045 5.982 ( 0.046 -0.000 5.461) 5.461 6.158 ( -12.786 0.000 2.978) 13.128 6.449 ( 0.089 0.000 -11.081) 11.081 6.705 ( -5.959 0.000 -0.303) 5.966 6.854 ( -2.050 -0.000 7.608) 7.879 7.055 ( 6.460 -0.000 -11.305) 13.020 7.302 ( 4.710 -0.000 4.330) 6.398 7.460 ( -11.001 0.000 1.062) 11.052 7.540 ( 8.844 -0.000 -16.784) 18.971 7.678 ( 14.282 -0.000 -4.805) 15.068 8.323 ( 10.282 -0.000 8.678) 13.454 8.712 ( -7.356 0.000 -6.474) 9.799 9.300 ( 9.007 -0.000 -1.905) 9.206 9.561 ( 5.038 -0.000 -4.742) 6.919 9.617 ( -8.945 0.000 -3.569) 9.630 9.849 ( -5.542 0.000 7.186) 9.075 9.893 ( 7.331 -0.000 4.688) 8.702 10.283 ( 3.808 -0.000 -7.488) 8.401 10.887 ( 0.532 0.000 -17.480) 17.489 11.399 ( -4.297 0.000 -0.044) 4.298 11.456 ( -23.293 0.000 -2.067) 23.384 11.471 ( -1.312 0.000 -15.776) 15.830 12.049 ( 12.038 -0.000 7.129) 13.990 12.109 ( -0.504 0.000 -0.033) 0.505 12.347 ( 18.891 -0.000 -2.673) 19.079 12.473 ( 14.456 -0.000 13.461) 19.753 12.702 ( -5.853 0.000 6.301) 8.600 12.780 ( 4.604 -0.000 -2.782) 5.379 13.695 ( -7.062 0.000 -5.032) 8.672 14.175 ( -9.462 0.000 -4.456) 10.459 14.363 ( 4.668 0.000 -15.465) 16.154 15.516 ( 10.158 -0.000 -0.455) 10.168 15.518 ( 7.885 -0.000 18.758) 20.348 16.267 ( -0.252 0.000 -9.627) 9.631 16.791 ( -25.753 0.000 -5.323) 26.298 16.933 ( -0.651 -0.000 17.519) 17.531 17.284 ( -13.725 0.000 -8.183) 15.979 17.742 ( 27.713 -0.000 11.165) 29.878 18.033 ( -31.101 0.000 22.525) 38.401 19.622 ( 7.348 -0.000 6.478) 9.796 21.444 ( 5.232 0.000 -29.111) 29.577 21.929 ( 24.235 -0.000 -27.097) 36.353 22.078 ( 15.438 -0.000 9.705) 18.235 22.680 ( -0.259 0.000 -18.906) 18.908 22.825 ( 27.788 -0.000 18.469) 33.366 24.201 ( -18.743 0.000 -5.071) 19.417 24.209 ( 16.202 -0.000 -10.983) 19.574 24.480 ( -16.777 0.000 4.339) 17.329 25.174 ( -0.670 0.000 0.544) 0.863 25.474 ( -6.814 0.000 8.668) 11.025 25.844 ( -6.322 0.000 -1.909) 6.604 ======================= Grid point 77 (63/96) ======================= q-point: ( 0.14 -0.14 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -25.862 0.000 -0.000) 25.862 1.396 ( -30.758 0.000 -0.000) 30.758 2.021 ( -43.270 0.000 -0.000) 43.270 2.323 ( -8.877 0.000 -0.000) 8.877 2.763 ( -3.446 0.000 -0.000) 3.446 2.867 ( -16.681 0.000 -0.000) 16.681 2.905 ( 3.550 -0.000 0.000) 3.550 3.359 ( 0.450 -0.000 0.000) 0.450 3.372 ( -5.520 0.000 -0.000) 5.520 3.447 ( 7.987 -0.000 0.000) 7.987 3.533 ( -5.466 0.000 -0.000) 5.466 3.585 ( 0.160 -0.000 0.000) 0.160 3.747 ( -4.338 0.000 -0.000) 4.338 4.061 ( -22.645 0.000 -0.000) 22.645 4.333 ( -6.572 0.000 -0.000) 6.572 4.446 ( 12.831 -0.000 0.000) 12.831 4.482 ( 4.400 -0.000 0.000) 4.400 4.904 ( -2.676 0.000 -0.000) 2.676 5.306 ( 2.498 -0.000 0.000) 2.498 5.405 ( -29.076 0.000 -0.000) 29.076 5.438 ( -9.489 0.000 -0.000) 9.489 5.827 ( -11.673 0.000 -0.000) 11.673 6.105 ( 11.279 -0.000 0.000) 11.279 6.644 ( 0.170 -0.000 0.000) 0.170 6.660 ( -5.961 0.000 -0.000) 5.961 6.746 ( 1.165 -0.000 0.000) 1.165 7.209 ( -11.789 0.000 -0.000) 11.789 7.247 ( 2.629 -0.000 0.000) 2.629 7.451 ( 15.734 -0.000 0.000) 15.734 7.942 ( 12.273 -0.000 0.000) 12.273 7.965 ( 0.797 -0.000 0.000) 0.797 8.315 ( 5.384 -0.000 0.000) 5.384 8.715 ( -1.734 0.000 -0.000) 1.734 9.442 ( 5.168 -0.000 0.000) 5.168 9.451 ( -15.276 0.000 -0.000) 15.276 9.729 ( 4.223 -0.000 0.000) 4.223 9.767 ( 10.482 -0.000 0.000) 10.482 9.899 ( -1.159 0.000 -0.000) 1.159 10.429 ( 2.449 -0.000 0.000) 2.449 10.953 ( -17.656 0.000 -0.000) 17.656 10.992 ( -16.173 0.000 -0.000) 16.173 11.435 ( 1.461 -0.000 0.000) 1.461 11.610 ( -6.362 0.000 -0.000) 6.362 12.016 ( 1.498 -0.000 0.000) 1.498 12.225 ( 14.345 -0.000 0.000) 14.345 12.328 ( -8.899 0.000 -0.000) 8.899 12.776 ( 16.097 -0.000 0.000) 16.097 12.805 ( 15.977 -0.000 0.000) 15.977 12.936 ( 5.579 -0.000 0.000) 5.579 13.481 ( -18.514 0.000 -0.000) 18.514 14.041 ( -9.388 0.000 -0.000) 9.388 14.615 ( 0.747 -0.000 0.000) 0.747 15.444 ( 9.565 -0.000 0.000) 9.565 15.747 ( 11.118 -0.000 0.000) 11.118 16.272 ( -26.521 0.000 -0.000) 26.521 16.495 ( -6.585 0.000 -0.000) 6.585 16.553 ( 1.985 -0.000 0.000) 1.985 17.103 ( -21.179 0.000 -0.000) 21.179 17.360 ( -6.696 0.000 -0.000) 6.696 18.131 ( 20.830 -0.000 0.000) 20.830 19.654 ( 2.048 -0.000 0.000) 2.048 21.973 ( 1.781 -0.000 0.000) 1.781 22.232 ( 23.898 -0.000 0.000) 23.898 22.661 ( 11.644 -0.000 0.000) 11.644 22.884 ( -2.721 0.000 -0.000) 2.721 23.171 ( 35.791 -0.000 0.000) 35.791 23.810 ( -13.510 0.000 -0.000) 13.510 24.337 ( -10.924 0.000 -0.000) 10.924 24.775 ( 19.067 -0.000 0.000) 19.067 25.048 ( -8.958 0.000 -0.000) 8.958 25.208 ( -4.512 0.000 -0.000) 4.512 25.740 ( -5.266 0.000 -0.000) 5.266 ======================= Grid point 79 (64/96) ======================= q-point: ( 0.44 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -0.000 6.185 8.197) 10.268 2.004 ( 0.000 13.280 -0.383) 13.285 2.061 ( 0.000 9.625 -0.239) 9.628 2.243 ( 0.000 -2.923 -16.100) 16.363 2.802 ( -0.000 2.936 3.614) 4.656 2.908 ( -0.000 -1.839 -0.858) 2.029 3.359 ( 0.000 6.618 -0.831) 6.670 3.416 ( 0.000 8.296 -2.102) 8.558 3.555 ( 0.000 19.188 7.036) 20.438 3.776 ( -0.000 3.711 7.026) 7.946 3.889 ( 0.000 10.051 4.363) 10.957 4.131 ( 0.000 1.028 -4.956) 5.061 4.168 ( 0.000 10.045 8.078) 12.890 4.219 ( 0.000 4.537 1.711) 4.849 4.537 ( 0.000 5.944 3.692) 6.997 4.609 ( 0.000 5.394 -10.577) 11.873 4.889 ( -0.000 4.466 18.656) 19.183 5.117 ( 0.000 -5.149 -9.090) 10.447 5.278 ( 0.000 -0.344 -11.490) 11.495 5.454 ( 0.000 8.318 -2.361) 8.647 5.481 ( -0.000 -1.251 1.356) 1.845 5.925 ( -0.000 -3.162 0.543) 3.208 6.119 ( 0.000 9.478 0.706) 9.504 6.265 ( 0.000 -2.279 -5.796) 6.228 6.503 ( -0.000 4.765 9.278) 10.430 6.760 ( -0.000 -6.212 11.865) 13.393 6.868 ( -0.000 -7.344 3.105) 7.973 7.258 ( -0.000 -2.719 4.174) 4.982 7.751 ( 0.000 3.384 -12.874) 13.311 7.805 ( -0.000 0.362 0.470) 0.593 8.062 ( -0.000 -11.788 16.697) 20.439 8.496 ( 0.000 12.191 2.156) 12.380 8.637 ( -0.000 -22.983 4.886) 23.497 8.806 ( 0.000 3.956 -5.133) 6.481 9.026 ( 0.000 14.473 -6.443) 15.842 9.123 ( 0.000 5.915 -1.338) 6.065 9.581 ( 0.000 5.036 2.223) 5.504 9.711 ( 0.000 -5.295 -8.758) 10.234 9.967 ( 0.000 1.445 -6.499) 6.658 10.101 ( 0.000 -3.250 -7.084) 7.794 10.359 ( 0.000 -9.777 -25.049) 26.889 10.949 ( 0.000 -0.102 -18.183) 18.183 11.323 ( 0.000 4.498 3.092) 5.458 11.732 ( 0.000 -5.547 -11.274) 12.565 12.050 ( -0.000 -13.398 -1.275) 13.459 12.110 ( 0.000 21.745 3.808) 22.076 12.455 ( -0.000 -5.463 10.628) 11.950 12.927 ( -0.000 -3.167 0.768) 3.259 12.997 ( -0.000 -5.052 18.012) 18.707 13.845 ( 0.000 -1.307 -10.840) 10.918 13.979 ( -0.000 -12.724 -7.292) 14.666 14.228 ( 0.000 13.971 -4.226) 14.597 15.617 ( -0.000 -13.367 11.230) 17.458 15.742 ( -0.000 -4.378 5.392) 6.945 16.002 ( -0.000 -2.147 -1.582) 2.667 16.147 ( -0.000 -6.050 27.763) 28.415 16.992 ( 0.000 14.407 -10.886) 18.057 17.589 ( -0.000 -1.376 26.201) 26.237 17.705 ( 0.000 14.201 -5.133) 15.100 19.365 ( -0.000 13.203 28.044) 30.996 20.092 ( 0.000 7.142 -22.842) 23.933 20.231 ( 0.000 7.808 -15.288) 17.167 21.106 ( 0.000 -18.975 -20.267) 27.764 21.853 ( 0.000 0.048 -40.674) 40.674 22.245 ( -0.000 -32.624 20.354) 38.452 22.407 ( -0.000 -32.466 12.854) 34.918 23.497 ( 0.000 10.326 6.374) 12.135 24.475 ( 0.000 24.268 -19.536) 31.154 25.439 ( -0.000 1.665 9.493) 9.638 25.568 ( -0.000 -0.387 6.211) 6.223 25.706 ( -0.000 3.305 3.669) 4.938 26.106 ( 0.000 8.472 -5.677) 10.198 ======================= Grid point 80 (65/96) ======================= q-point: ( 0.30 -0.16 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 11.181 2.988 8.040) 14.092 1.913 ( 2.094 28.408 4.581) 28.851 2.421 ( 20.622 0.514 -4.318) 21.076 2.586 ( -4.997 3.930 -14.213) 15.570 2.757 ( -0.688 4.182 1.957) 4.669 2.824 ( -5.877 9.370 3.713) 11.667 3.176 ( -5.999 11.153 5.480) 13.798 3.401 ( -1.708 2.292 2.833) 4.025 3.453 ( 0.029 2.403 0.281) 2.420 3.714 ( -3.436 7.883 -2.408) 8.930 3.829 ( 5.442 20.627 2.925) 21.533 3.965 ( -4.464 4.589 5.428) 8.394 4.144 ( 1.020 4.072 2.610) 4.942 4.324 ( 5.900 15.779 1.938) 16.957 4.420 ( -3.995 10.018 7.526) 13.151 4.743 ( -3.948 9.626 -7.563) 12.863 4.777 ( 3.675 0.851 -4.349) 5.757 5.159 ( -3.367 -0.992 -0.977) 3.644 5.380 ( -5.662 3.735 4.105) 7.928 5.454 ( 4.083 3.295 -0.537) 5.274 5.748 ( 6.971 5.066 -8.902) 12.390 5.863 ( 0.585 -4.771 -0.224) 4.812 6.178 ( 9.334 0.155 -3.721) 10.050 6.327 ( 2.233 2.467 8.076) 8.735 6.433 ( 3.034 0.409 7.061) 7.696 6.669 ( 14.612 -0.989 -0.984) 14.678 6.950 ( 4.190 -9.394 -2.691) 10.633 7.189 ( 4.790 -9.063 4.307) 11.119 7.506 ( -10.455 2.832 4.919) 11.896 7.841 ( -2.314 -7.940 3.876) 9.133 7.869 ( -8.001 -4.132 -6.991) 11.401 8.327 ( -17.929 -2.088 9.071) 20.202 8.566 ( 4.390 -12.061 3.135) 13.213 9.051 ( 26.662 2.869 -3.622) 27.059 9.166 ( 0.379 6.607 -7.272) 9.833 9.398 ( 10.115 4.182 -5.969) 12.467 9.637 ( 7.850 7.427 3.808) 11.458 9.918 ( 7.213 -0.924 -0.421) 7.284 10.132 ( 2.337 -4.873 -3.632) 6.511 10.435 ( 9.095 1.045 -17.631) 19.866 10.818 ( 2.930 -1.929 -13.671) 14.114 11.293 ( 1.605 -4.820 -8.569) 9.962 11.316 ( 4.004 2.017 0.098) 4.484 11.883 ( -2.569 -0.144 -4.476) 5.163 12.031 ( 2.432 -9.743 5.464) 11.432 12.105 ( 1.654 12.767 -1.652) 12.979 12.399 ( 3.593 -6.903 0.554) 7.802 12.703 ( 6.560 -7.720 10.820) 14.822 12.833 ( -5.097 -5.241 3.252) 8.002 13.991 ( -5.234 6.480 -7.090) 10.938 14.154 ( -0.642 -8.044 -10.010) 12.858 14.376 ( 1.101 5.837 -10.878) 12.394 15.252 ( -6.273 -6.766 20.594) 22.566 15.529 ( 7.193 -12.915 17.270) 22.733 15.858 ( 9.443 -0.158 2.742) 9.834 16.146 ( 11.197 -3.958 1.355) 11.953 17.120 ( -3.944 4.291 7.868) 9.792 17.289 ( 1.826 7.751 -5.734) 9.813 17.716 ( -3.644 13.875 0.438) 14.352 18.815 ( -9.605 14.759 12.816) 21.779 19.919 ( 2.877 14.216 13.227) 19.630 21.185 ( -19.505 -31.264 2.405) 36.928 21.308 ( 7.002 -2.737 -43.435) 44.081 21.827 ( 1.449 -18.932 -11.032) 21.959 22.417 ( 19.286 -30.513 15.152) 39.148 22.702 ( 0.435 -0.054 -27.865) 27.868 23.310 ( 7.698 0.807 15.328) 17.172 24.743 ( -9.113 15.192 -9.238) 19.980 25.160 ( -7.741 5.284 4.752) 10.508 25.409 ( -4.988 2.099 3.705) 6.558 25.582 ( -0.534 7.933 6.466) 10.248 26.174 ( -2.772 8.018 -3.421) 9.147 ======================= Grid point 81 (66/96) ======================= q-point: ( 0.16 -0.16 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 14.474 -1.807 0.000) 14.586 1.987 ( 6.427 19.491 -0.000) 20.523 2.194 ( -14.866 34.811 -0.000) 37.853 2.709 ( -6.569 -3.131 0.000) 7.277 2.804 ( 3.490 -1.070 0.000) 3.650 2.898 ( 14.810 -1.997 0.000) 14.944 3.132 ( 1.033 -0.616 0.000) 1.203 3.391 ( 0.040 2.212 -0.000) 2.213 3.409 ( 0.504 0.019 0.000) 0.505 3.678 ( -3.600 9.814 -0.000) 10.454 3.734 ( -10.270 10.052 -0.000) 14.370 3.891 ( -4.980 15.224 -0.000) 16.018 3.997 ( -6.873 3.795 -0.000) 7.851 4.246 ( 1.975 -4.688 0.000) 5.086 4.547 ( 8.679 22.585 -0.000) 24.195 4.669 ( -4.837 10.133 -0.000) 11.228 4.956 ( -2.788 10.573 -0.000) 10.934 5.051 ( -3.415 -9.620 0.000) 10.208 5.164 ( -2.156 -1.489 0.000) 2.620 5.637 ( 10.676 1.182 0.000) 10.742 5.868 ( 0.081 -2.629 0.000) 2.630 5.883 ( -3.853 3.741 -0.000) 5.371 6.075 ( -5.208 7.767 -0.000) 9.351 6.348 ( 7.483 -4.233 0.000) 8.598 6.780 ( 2.972 -0.348 0.000) 2.992 6.931 ( 20.160 12.839 -0.000) 23.901 7.087 ( 4.503 -2.372 0.000) 5.090 7.270 ( 4.605 -9.368 0.000) 10.439 7.436 ( 5.149 -2.901 0.000) 5.910 7.668 ( -16.507 -2.608 -0.000) 16.712 7.760 ( -0.534 -10.516 0.000) 10.530 7.927 ( -5.062 -10.332 0.000) 11.505 8.643 ( 5.056 -3.554 0.000) 6.180 9.201 ( -3.374 9.628 -0.000) 10.202 9.401 ( 6.410 -2.945 0.000) 7.054 9.448 ( -12.391 4.496 -0.000) 13.181 9.979 ( 6.870 4.110 -0.000) 8.006 10.160 ( -2.059 -6.735 0.000) 7.043 10.226 ( 39.491 -16.654 0.000) 42.859 10.895 ( -0.549 8.053 -0.000) 8.072 11.009 ( 16.426 0.695 0.000) 16.441 11.437 ( 14.075 -4.727 0.000) 14.847 11.471 ( 6.087 0.190 0.000) 6.090 11.866 ( -5.790 10.122 -0.000) 11.661 11.989 ( 1.239 -3.523 0.000) 3.735 12.120 ( -2.280 -7.207 0.000) 7.559 12.399 ( 1.744 0.492 -0.000) 1.812 12.554 ( -15.705 -6.623 0.000) 17.045 12.902 ( 10.177 -7.516 0.000) 12.652 13.979 ( -2.367 6.505 -0.000) 6.922 14.260 ( -1.605 0.040 -0.000) 1.606 14.687 ( -2.142 3.213 -0.000) 3.861 14.751 ( -0.233 -6.504 0.000) 6.508 15.513 ( 8.991 -11.616 0.000) 14.689 16.133 ( 15.229 -3.099 0.000) 15.542 16.439 ( 21.842 -0.766 0.000) 21.855 16.895 ( -5.593 0.932 -0.000) 5.670 17.457 ( 1.664 6.617 -0.000) 6.823 17.579 ( -6.136 7.464 -0.000) 9.662 18.493 ( -9.361 18.299 -0.000) 20.554 19.731 ( -6.071 4.831 -0.000) 7.758 20.760 ( -13.832 -19.478 0.000) 23.890 21.848 ( -0.261 -1.574 0.000) 1.596 22.260 ( 6.350 -11.473 0.000) 13.113 22.510 ( 20.857 -34.841 0.000) 40.607 22.966 ( -3.428 3.803 -0.000) 5.120 23.448 ( 24.111 -7.997 0.000) 25.402 24.402 ( -21.046 12.911 -0.000) 24.690 25.002 ( -14.669 5.073 -0.000) 15.521 25.353 ( -1.936 5.946 -0.000) 6.253 25.418 ( -2.435 7.593 -0.000) 7.974 26.142 ( -3.682 4.891 -0.000) 6.122 ======================= Grid point 94 (67/96) ======================= q-point: (-0.39 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 -2.671 -10.381) 10.719 1.829 ( 0.000 -3.494 -12.595) 13.071 1.936 ( -0.000 1.622 4.784) 5.051 2.309 ( 0.000 8.269 -7.096) 10.896 2.810 ( 0.000 -2.666 -2.908) 3.945 2.933 ( -0.000 2.058 4.060) 4.551 3.439 ( 0.000 5.598 -3.217) 6.457 3.544 ( 0.000 8.400 1.214) 8.487 3.710 ( 0.000 -3.451 -23.871) 24.119 3.844 ( -0.000 -0.031 1.076) 1.077 3.916 ( 0.000 -2.415 -7.167) 7.563 4.054 ( 0.000 7.439 4.577) 8.735 4.239 ( 0.000 2.781 -3.973) 4.850 4.504 ( 0.000 5.080 -14.294) 15.170 4.582 ( -0.000 7.122 12.480) 14.369 4.725 ( 0.000 -2.142 -2.313) 3.152 4.889 ( 0.000 -2.442 -14.624) 14.827 5.035 ( -0.000 6.968 8.580) 11.053 5.220 ( -0.000 -8.084 10.542) 13.285 5.253 ( 0.000 -8.540 -13.360) 15.856 5.551 ( 0.000 2.975 -0.192) 2.981 5.951 ( -0.000 -0.812 6.091) 6.145 5.993 ( 0.000 2.779 -19.782) 19.976 6.160 ( -0.000 -1.763 4.390) 4.731 6.718 ( -0.000 -2.737 12.980) 13.265 6.950 ( 0.000 2.645 -8.914) 9.298 7.134 ( 0.000 0.397 -6.844) 6.856 7.192 ( -0.000 7.394 14.938) 16.668 7.727 ( -0.000 7.213 7.751) 10.588 7.802 ( 0.000 3.874 -5.188) 6.474 8.182 ( -0.000 -8.800 9.611) 13.031 8.351 ( -0.000 -17.770 6.359) 18.873 8.524 ( 0.000 -6.247 -10.808) 12.484 8.671 ( 0.000 2.747 0.325) 2.766 8.996 ( 0.000 1.015 -15.908) 15.940 9.158 ( 0.000 4.237 -1.102) 4.378 9.422 ( 0.000 -5.239 -6.152) 8.081 9.873 ( 0.000 8.565 3.754) 9.352 9.944 ( 0.000 1.429 -7.700) 7.832 10.028 ( -0.000 -2.997 9.448) 9.912 10.130 ( 0.000 17.614 7.862) 19.289 10.639 ( 0.000 0.237 -9.472) 9.475 11.368 ( 0.000 -7.386 -10.661) 12.970 11.467 ( 0.000 3.560 1.878) 4.025 11.766 ( -0.000 -10.588 -1.913) 10.760 12.590 ( 0.000 20.244 2.845) 20.443 12.629 ( -0.000 -1.951 12.358) 12.511 12.945 ( 0.000 2.390 2.239) 3.275 13.249 ( -0.000 -6.094 15.256) 16.428 13.549 ( 0.000 -3.117 -11.730) 12.137 13.554 ( -0.000 -17.766 -5.452) 18.584 14.356 ( 0.000 7.391 -4.626) 8.720 15.600 ( -0.000 -10.084 9.665) 13.967 15.815 ( -0.000 -1.340 6.955) 7.083 15.927 ( 0.000 -1.671 -2.137) 2.713 16.565 ( -0.000 3.884 13.436) 13.986 16.982 ( 0.000 1.431 -6.002) 6.170 17.765 ( 0.000 10.432 -10.904) 15.091 18.233 ( -0.000 -1.142 37.786) 37.803 19.092 ( 0.000 -0.985 -45.412) 45.423 20.192 ( -0.000 7.648 12.619) 14.756 20.534 ( -0.000 -2.434 0.822) 2.569 20.834 ( 0.000 4.285 -39.612) 39.843 20.937 ( 0.000 17.018 9.439) 19.460 22.075 ( -0.000 -27.867 14.287) 31.316 22.181 ( -0.000 -30.936 31.022) 43.811 23.812 ( 0.000 11.938 2.045) 12.112 24.585 ( 0.000 25.371 -17.327) 30.723 25.446 ( -0.000 -15.254 -0.851) 15.277 25.495 ( -0.000 -3.627 -3.268) 4.882 25.833 ( 0.000 4.228 -0.289) 4.238 26.118 ( 0.000 4.639 -4.988) 6.812 ======================= Grid point 95 (68/96) ======================= q-point: ( 0.47 -0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 8.779 1.983 10.476) 13.811 2.162 ( -2.076 -0.558 -15.476) 15.625 2.291 ( 18.349 -1.699 -9.442) 20.705 2.445 ( 2.336 14.646 -4.333) 15.451 2.857 ( 0.717 1.400 1.813) 2.400 2.877 ( 1.178 -1.133 -1.074) 1.956 3.395 ( -6.561 3.509 -2.991) 8.019 3.501 ( -1.390 3.142 3.504) 4.908 3.714 ( -10.525 13.596 3.987) 17.650 3.878 ( -3.422 5.976 3.190) 7.589 4.024 ( -2.304 1.775 -3.960) 4.913 4.062 ( -2.956 -2.826 3.646) 5.478 4.280 ( 1.455 6.402 -1.120) 6.660 4.376 ( -2.117 -4.742 -3.859) 6.470 4.699 ( 3.468 10.019 0.924) 10.643 4.766 ( -0.289 10.136 -0.334) 10.145 4.918 ( 1.398 -2.764 5.019) 5.898 5.035 ( 1.776 -2.069 -1.002) 2.905 5.237 ( -4.664 -0.085 -13.538) 14.319 5.521 ( 6.070 -0.309 -3.463) 6.995 5.686 ( 4.833 4.301 -7.277) 9.737 5.839 ( 2.173 -3.350 2.892) 4.930 6.115 ( 3.772 -1.063 -3.846) 5.491 6.375 ( 1.900 0.346 -11.473) 11.634 6.601 ( 2.107 1.485 10.413) 10.727 6.761 ( 6.749 1.562 12.775) 14.532 6.895 ( 0.521 3.538 7.099) 7.949 7.318 ( 12.724 1.155 8.055) 15.104 7.657 ( -5.290 -1.347 -2.995) 6.227 7.684 ( -14.826 -6.823 16.570) 23.258 7.870 ( -1.135 2.918 -1.149) 3.336 8.207 ( -2.414 -19.858 7.540) 21.378 8.557 ( -6.668 2.033 -2.293) 7.338 8.904 ( 15.547 -4.780 -6.043) 17.351 9.242 ( -8.183 -1.553 -10.220) 13.184 9.289 ( 4.711 13.844 -5.984) 15.801 9.683 ( 4.223 -0.527 -10.877) 11.680 9.905 ( 4.491 2.254 -0.475) 5.048 10.127 ( 3.907 2.454 -13.004) 13.798 10.243 ( 13.479 12.507 4.293) 18.882 10.339 ( 16.407 -0.039 -17.811) 24.216 10.915 ( 6.854 -8.604 -10.573) 15.258 11.461 ( 4.691 4.850 3.871) 7.779 11.590 ( -0.680 -7.537 -10.745) 13.142 11.847 ( 3.850 -10.964 -2.049) 11.800 12.401 ( 0.893 -0.767 7.401) 7.494 12.503 ( -1.205 15.498 5.428) 16.465 12.801 ( -4.461 -4.318 8.940) 10.885 12.964 ( 4.960 -1.415 14.150) 15.061 13.707 ( -1.591 -11.289 -10.560) 15.540 13.795 ( 0.328 -2.770 -12.260) 12.573 14.425 ( -2.997 8.104 -5.170) 10.069 15.392 ( -1.028 -6.820 9.350) 11.618 15.669 ( 2.363 -5.478 10.292) 11.896 16.011 ( 4.600 0.988 2.747) 5.448 16.216 ( 10.915 -2.383 18.579) 21.679 17.184 ( -2.128 7.346 -12.525) 14.675 17.590 ( 3.063 -1.056 28.733) 28.915 17.868 ( -5.507 6.685 -3.695) 9.417 19.450 ( -16.698 16.480 7.850) 24.739 20.248 ( 5.179 3.717 -27.449) 28.180 20.632 ( -4.258 -10.012 -7.496) 13.212 20.758 ( 12.118 10.337 13.940) 21.167 21.389 ( -11.389 -16.927 0.995) 20.426 21.882 ( 3.069 -7.855 -36.373) 37.338 22.161 ( 20.079 -26.240 10.245) 34.593 23.670 ( 1.761 5.915 11.123) 12.720 24.838 ( -5.469 18.136 -10.721) 21.766 25.368 ( -6.822 -5.955 -1.864) 9.246 25.428 ( -3.760 -1.929 9.124) 10.055 25.788 ( -2.622 5.593 1.724) 6.413 26.175 ( -5.381 3.176 -6.387) 8.935 ======================= Grid point 96 (69/96) ======================= q-point: ( 0.33 -0.19 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 14.231 -1.431 6.582) 15.745 2.245 ( -9.588 8.580 -5.790) 14.110 2.608 ( 2.229 7.498 -5.987) 9.851 2.759 ( 8.909 -0.155 -2.583) 9.277 2.862 ( -7.760 10.774 5.052) 14.207 2.888 ( 10.968 -0.036 1.529) 11.074 3.211 ( -9.536 8.908 5.093) 14.009 3.393 ( -3.575 4.097 -0.076) 5.438 3.434 ( -2.881 0.100 -2.146) 3.594 3.761 ( -5.392 4.315 -0.798) 6.951 3.884 ( -1.566 -2.112 3.219) 4.156 4.015 ( -10.246 3.900 -4.732) 11.941 4.252 ( -6.775 8.999 5.707) 12.628 4.350 ( -0.622 -0.504 4.353) 4.426 4.586 ( -15.208 -7.730 -2.966) 17.315 4.730 ( 1.572 2.893 3.194) 4.587 4.906 ( -2.898 5.406 -0.745) 6.179 5.102 ( 1.128 0.722 -4.965) 5.143 5.251 ( -7.373 -0.755 2.427) 7.799 5.606 ( 4.684 -0.899 4.850) 6.802 5.843 ( 3.636 6.214 -6.559) 9.740 6.012 ( 3.424 7.589 -3.162) 8.906 6.274 ( 4.562 1.294 2.809) 5.511 6.501 ( -0.697 13.414 2.495) 13.662 6.623 ( 13.022 1.430 -8.647) 15.697 6.919 ( 5.217 -1.973 -2.282) 6.027 6.946 ( 8.860 -5.212 -6.546) 12.186 7.173 ( -5.702 -11.835 9.509) 16.217 7.353 ( 5.778 -5.344 3.400) 8.574 7.618 ( 1.531 2.670 2.281) 3.831 7.774 ( -5.774 -6.025 5.429) 9.956 7.847 ( -4.963 -9.223 10.458) 14.801 8.676 ( 12.609 4.213 0.115) 13.295 9.218 ( -11.890 -1.423 -8.118) 14.467 9.284 ( 8.722 1.364 -6.752) 11.114 9.538 ( 0.162 9.640 -4.751) 10.748 9.918 ( 4.539 -3.036 -5.950) 8.076 10.021 ( 4.323 1.367 -2.276) 5.074 10.234 ( 3.120 -4.082 7.039) 8.715 10.667 ( 10.558 2.726 -17.059) 20.246 10.987 ( 12.568 -1.092 -13.498) 18.476 11.350 ( 20.812 -1.733 -3.012) 21.100 11.450 ( 8.988 -2.066 7.789) 12.071 11.754 ( -2.045 -6.489 -7.682) 10.262 11.977 ( 3.902 -1.707 -2.245) 4.814 12.266 ( -4.802 6.385 12.697) 15.002 12.364 ( -6.089 -2.091 -1.771) 6.677 12.531 ( -0.611 -2.907 6.053) 6.743 12.875 ( 6.331 -0.745 6.393) 9.028 13.881 ( -3.237 -4.099 -9.468) 10.813 14.121 ( 2.426 2.031 -17.404) 17.689 14.461 ( -3.841 3.822 -5.513) 7.730 15.144 ( 0.275 1.798 16.489) 16.589 15.441 ( 7.864 -12.206 15.650) 21.348 16.074 ( 10.958 -0.626 -0.437) 10.985 16.420 ( 21.830 -0.825 0.566) 21.853 17.110 ( 0.242 0.545 19.354) 19.363 17.399 ( -4.714 4.639 -12.077) 13.770 17.719 ( -10.542 1.819 1.777) 10.845 18.994 ( -10.803 22.773 8.653) 26.650 19.873 ( -20.960 -16.904 16.571) 31.618 20.696 ( 8.897 12.161 2.115) 15.216 21.444 ( 12.914 -9.707 -29.916) 34.000 21.621 ( 3.557 -1.625 -17.058) 17.501 22.222 ( 19.658 -28.836 10.533) 36.454 22.705 ( -0.153 -0.246 -26.213) 26.214 23.534 ( 14.434 -0.414 13.323) 19.647 24.719 ( -13.999 7.992 7.239) 17.671 25.066 ( -12.571 4.715 1.256) 13.485 25.337 ( -5.675 1.977 -5.781) 8.339 25.658 ( -3.953 4.407 5.325) 7.963 26.159 ( -7.268 1.130 -3.998) 8.372 ======================= Grid point 97 (70/96) ======================= q-point: ( 0.19 -0.19 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -8.055 10.120 -0.000) 12.934 2.060 ( -15.195 -1.882 -0.000) 15.311 2.561 ( -0.027 12.154 -0.000) 12.154 2.695 ( 2.255 5.888 -0.000) 6.305 2.842 ( 1.910 -0.865 0.000) 2.097 3.070 ( -7.351 4.914 -0.000) 8.842 3.173 ( 9.549 -1.447 0.000) 9.658 3.378 ( -0.330 -2.588 0.000) 2.609 3.417 ( -1.610 2.131 -0.000) 2.670 3.705 ( -18.050 3.950 -0.000) 18.477 3.739 ( -8.201 9.449 -0.000) 12.511 3.852 ( -3.787 5.712 -0.000) 6.854 3.919 ( -5.406 1.614 -0.000) 5.641 4.251 ( -19.006 -22.083 0.000) 29.135 4.261 ( 4.022 -1.186 0.000) 4.194 4.755 ( -2.540 8.628 -0.000) 8.995 4.849 ( -11.980 -4.054 0.000) 12.647 5.003 ( -3.704 -2.407 0.000) 4.418 5.187 ( 1.771 -0.394 0.000) 1.814 5.650 ( 8.011 -3.946 0.000) 8.930 5.903 ( -7.065 13.954 -0.000) 15.641 6.042 ( -4.745 0.053 -0.000) 4.745 6.389 ( -1.678 18.293 -0.000) 18.369 6.437 ( 8.339 0.635 0.000) 8.363 6.726 ( -8.117 6.990 -0.000) 10.712 6.963 ( -9.362 -16.131 0.000) 18.651 7.073 ( 4.862 -1.647 0.000) 5.133 7.211 ( 5.855 -8.480 0.000) 10.305 7.580 ( 5.196 -16.358 0.000) 17.163 7.621 ( 11.984 0.449 0.000) 11.992 7.663 ( -7.059 1.464 -0.000) 7.209 7.775 ( 19.313 3.278 0.000) 19.589 8.910 ( 9.564 14.137 -0.000) 17.068 9.050 ( -12.938 -2.328 -0.000) 13.146 9.464 ( -4.650 12.562 -0.000) 13.395 9.537 ( 6.067 4.365 -0.000) 7.474 9.948 ( -4.646 -8.343 0.000) 9.550 10.191 ( 1.858 -23.913 0.000) 23.985 10.205 ( 6.372 4.090 -0.000) 7.571 11.147 ( 5.738 -4.512 0.000) 7.300 11.208 ( 10.610 6.832 -0.000) 12.619 11.695 ( 18.802 -3.033 0.000) 19.045 11.809 ( 4.039 4.070 -0.000) 5.733 11.845 ( -2.309 -6.833 0.000) 7.213 11.922 ( 11.676 3.507 -0.000) 12.191 12.075 ( -19.167 -5.713 0.000) 20.001 12.084 ( 4.279 5.137 -0.000) 6.686 12.539 ( 0.535 7.840 -0.000) 7.858 12.891 ( 2.012 -6.972 0.000) 7.257 13.916 ( -3.731 -3.235 0.000) 4.938 14.320 ( -3.926 6.102 -0.000) 7.256 14.627 ( -2.303 -2.073 0.000) 3.098 14.859 ( 8.778 7.768 -0.000) 11.722 15.477 ( 10.144 -11.776 0.000) 15.543 16.334 ( 9.132 0.534 0.000) 9.147 16.777 ( -5.801 -1.264 0.000) 5.937 17.007 ( 31.710 0.708 0.000) 31.718 17.338 ( -19.539 -1.824 -0.000) 19.624 17.538 ( -2.669 3.067 -0.000) 4.065 18.483 ( -31.950 5.569 -0.000) 32.431 19.461 ( -0.107 -5.457 0.000) 5.458 20.925 ( 17.725 24.024 -0.000) 29.855 21.870 ( 1.795 1.733 -0.000) 2.495 22.246 ( 10.084 -6.688 0.000) 12.100 22.290 ( 25.686 -34.624 0.000) 43.111 22.969 ( -3.218 3.121 -0.000) 4.483 23.832 ( 26.411 -4.217 0.000) 26.745 24.244 ( -15.875 8.700 -0.000) 18.102 24.809 ( -16.676 7.361 -0.000) 18.229 25.385 ( -4.599 3.930 -0.000) 6.049 25.406 ( -7.195 1.568 -0.000) 7.364 26.056 ( -6.981 -2.008 0.000) 7.264 ======================= Grid point 101 (71/96) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 32.518 -0.000) 32.518 1.234 ( 0.000 17.587 -0.000) 17.587 2.169 ( 0.000 0.429 -0.000) 0.429 2.360 ( 0.000 55.175 -0.000) 55.175 2.684 ( 0.000 1.915 -0.000) 1.915 2.699 ( 0.000 19.540 -0.000) 19.540 2.932 ( -0.000 -2.649 0.000) 2.649 3.022 ( 0.000 8.107 -0.000) 8.107 3.377 ( 0.000 0.224 -0.000) 0.224 3.407 ( -0.000 -2.215 0.000) 2.215 3.727 ( 0.000 7.992 -0.000) 7.992 3.840 ( 0.000 14.577 -0.000) 14.577 3.957 ( 0.000 13.217 -0.000) 13.217 3.983 ( 0.000 9.374 -0.000) 9.374 4.411 ( 0.000 15.404 -0.000) 15.404 4.437 ( -0.000 -4.542 0.000) 4.542 4.816 ( 0.000 3.555 -0.000) 3.555 5.162 ( 0.000 2.853 -0.000) 2.853 5.365 ( -0.000 -1.528 0.000) 1.528 5.436 ( 0.000 3.408 -0.000) 3.408 5.553 ( 0.000 5.068 -0.000) 5.068 5.821 ( 0.000 29.226 -0.000) 29.226 6.084 ( -0.000 -13.251 0.000) 13.251 6.301 ( -0.000 -3.643 0.000) 3.643 6.355 ( -0.000 -9.685 0.000) 9.685 6.546 ( -0.000 -5.427 0.000) 5.427 7.100 ( -0.000 -8.888 0.000) 8.888 7.468 ( -0.000 -16.395 0.000) 16.395 7.632 ( 0.000 13.513 -0.000) 13.513 7.698 ( -0.000 -2.276 0.000) 2.276 8.147 ( -0.000 -14.113 0.000) 14.113 8.326 ( 0.000 10.013 -0.000) 10.013 8.571 ( 0.000 3.443 -0.000) 3.443 8.814 ( 0.000 13.717 -0.000) 13.717 9.027 ( -0.000 -29.657 0.000) 29.657 9.155 ( 0.000 15.836 -0.000) 15.836 9.448 ( -0.000 -5.174 0.000) 5.174 10.021 ( -0.000 -2.153 0.000) 2.153 10.313 ( -0.000 -7.058 0.000) 7.058 10.524 ( -0.000 -0.475 0.000) 0.475 10.812 ( 0.000 12.815 -0.000) 12.815 11.303 ( 0.000 14.157 -0.000) 14.157 11.368 ( -0.000 -6.047 0.000) 6.047 11.758 ( 0.000 11.566 -0.000) 11.566 12.067 ( -0.000 -0.725 0.000) 0.725 12.153 ( -0.000 -17.790 0.000) 17.790 12.610 ( -0.000 -14.582 0.000) 14.582 12.640 ( -0.000 -9.116 0.000) 9.116 12.997 ( -0.000 -5.417 0.000) 5.417 13.829 ( 0.000 15.517 -0.000) 15.517 14.445 ( -0.000 -8.642 0.000) 8.642 14.488 ( 0.000 16.079 -0.000) 16.079 15.181 ( -0.000 -23.095 0.000) 23.095 15.466 ( -0.000 -9.275 0.000) 9.275 15.759 ( -0.000 -1.618 0.000) 1.618 16.097 ( -0.000 -3.290 0.000) 3.290 17.080 ( 0.000 18.841 -0.000) 18.841 17.107 ( -0.000 -3.104 0.000) 3.104 17.397 ( 0.000 19.481 -0.000) 19.481 18.609 ( 0.000 4.081 -0.000) 4.081 19.503 ( 0.000 10.120 -0.000) 10.120 21.932 ( -0.000 -3.433 0.000) 3.433 22.106 ( -0.000 -22.813 0.000) 22.813 22.320 ( -0.000 -37.534 0.000) 37.534 22.405 ( -0.000 -16.365 0.000) 16.365 22.988 ( -0.000 -5.699 0.000) 5.699 22.992 ( 0.000 2.603 -0.000) 2.603 24.757 ( 0.000 18.529 -0.000) 18.529 25.155 ( -0.000 -1.083 0.000) 1.083 25.213 ( 0.000 14.448 -0.000) 14.448 25.339 ( 0.000 2.533 -0.000) 2.533 26.016 ( 0.000 13.205 -0.000) 13.205 ======================= Grid point 104 (72/96) ======================= q-point: (-0.23 -0.20 0.63) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -1.088 -1.718 -5.515) 5.878 1.773 ( -2.008 -2.225 9.154) 9.632 2.819 ( 1.469 0.218 -3.664) 3.954 2.882 ( 6.332 0.347 1.156) 6.446 2.982 ( 11.097 0.904 -3.568) 11.691 3.084 ( 5.021 -0.132 0.211) 5.027 3.202 ( 0.102 4.357 0.961) 4.463 3.265 ( -5.392 -0.624 -2.608) 6.023 3.599 ( 0.165 5.744 -9.355) 10.979 3.668 ( 0.007 3.314 -12.719) 13.144 3.837 ( -5.441 -4.158 1.659) 7.046 4.103 ( 5.439 3.728 12.541) 14.169 4.253 ( 3.161 1.162 -13.650) 14.059 4.511 ( 5.227 0.464 6.327) 8.220 4.561 ( -1.918 -1.315 -4.652) 5.200 4.612 ( -1.014 -2.261 -1.143) 2.728 4.976 ( 0.524 1.294 -7.664) 7.790 5.090 ( -5.637 -3.648 -20.686) 21.748 5.188 ( 1.569 -1.541 7.959) 8.257 5.326 ( -1.488 -3.493 5.299) 6.519 5.744 ( 6.220 0.853 0.860) 6.337 5.914 ( 7.894 4.495 15.817) 18.240 6.297 ( -1.602 -1.403 0.655) 2.228 6.371 ( -10.362 -2.885 -0.380) 10.763 6.516 ( -0.073 0.860 -11.221) 11.254 6.757 ( 5.880 1.794 14.092) 15.374 6.930 ( -0.250 -3.460 -8.851) 9.507 7.157 ( -0.867 -2.061 8.896) 9.173 7.583 ( 3.020 10.988 -12.371) 16.820 7.776 ( 2.528 2.241 -10.686) 11.207 7.906 ( 1.215 6.259 6.280) 8.950 8.135 ( -8.498 -7.255 10.409) 15.271 8.755 ( 4.388 5.326 -5.257) 8.675 8.971 ( -2.591 -3.532 6.187) 7.581 9.047 ( -4.632 -9.287 -5.328) 11.666 9.254 ( -0.358 -4.184 14.358) 14.959 9.889 ( 1.562 0.957 0.521) 1.904 9.981 ( 0.607 -0.095 6.912) 6.939 10.136 ( 0.402 -1.015 -10.514) 10.570 10.368 ( 5.717 4.887 16.652) 18.272 11.272 ( 8.873 1.116 -3.430) 9.578 11.313 ( 13.716 8.307 6.007) 17.124 11.710 ( 9.287 -4.937 1.618) 10.641 11.764 ( 2.096 -5.767 3.200) 6.920 11.973 ( 3.675 6.382 -5.907) 9.440 12.173 ( -6.603 -2.771 2.966) 7.751 12.554 ( -8.507 -6.590 -6.781) 12.719 12.608 ( -3.511 -2.696 2.565) 5.116 13.296 ( -0.293 1.883 -9.840) 10.023 13.508 ( -0.946 1.062 9.132) 9.242 13.926 ( -2.141 -2.010 -1.382) 3.246 13.990 ( 1.209 1.219 6.675) 6.892 15.635 ( -3.381 1.686 -10.418) 11.082 15.838 ( -0.918 4.705 10.720) 11.742 16.344 ( 0.384 -4.987 -9.247) 10.513 16.461 ( 7.404 1.134 8.468) 11.305 17.343 ( 3.358 4.783 -0.447) 5.861 17.365 ( -1.103 -3.393 -5.951) 6.939 18.802 ( 3.561 -4.143 -38.335) 38.722 19.068 ( 8.933 7.864 -23.502) 26.344 19.674 ( 1.995 0.267 34.681) 34.739 20.056 ( -15.106 -12.533 35.988) 40.992 21.078 ( 16.743 25.692 -25.785) 40.066 21.867 ( -5.095 4.980 17.314) 18.723 22.079 ( -20.879 -27.282 -23.018) 41.353 22.474 ( 7.685 -7.964 41.860) 43.298 24.156 ( 13.016 16.941 3.187) 21.601 24.294 ( -1.096 -0.997 -4.259) 4.510 24.750 ( -3.624 0.164 -18.825) 19.171 25.200 ( -11.439 -7.976 9.558) 16.907 25.727 ( -0.225 0.897 -9.258) 9.304 25.876 ( 0.520 2.545 5.662) 6.230 ======================= Grid point 108 (73/96) ======================= q-point: (-0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 0.000 -15.370) 15.370 1.516 ( 0.000 0.000 -15.798) 15.798 2.070 ( -0.000 -0.000 4.276) 4.276 2.244 ( 0.000 0.000 -3.604) 3.604 2.725 ( 0.000 0.000 -2.584) 2.584 3.028 ( -0.000 -0.000 2.837) 2.837 3.058 ( 0.000 0.000 -32.941) 32.941 3.428 ( 0.000 0.000 -3.315) 3.315 3.581 ( 0.000 0.000 -11.394) 11.394 3.748 ( 0.000 0.000 -3.950) 3.950 3.772 ( 0.000 0.000 -4.227) 4.227 4.162 ( 0.000 0.000 -19.495) 19.495 4.172 ( -0.000 -0.000 1.563) 1.563 4.213 ( 0.000 0.000 -2.101) 2.101 4.501 ( 0.000 0.000 -8.071) 8.071 4.673 ( 0.000 0.000 -28.851) 28.851 4.704 ( 0.000 0.000 -13.530) 13.530 4.740 ( -0.000 -0.000 3.384) 3.384 5.276 ( -0.000 -0.000 3.918) 3.918 5.452 ( -0.000 -0.000 19.388) 19.388 5.590 ( 0.000 0.000 -18.731) 18.731 5.608 ( -0.000 -0.000 3.130) 3.130 6.091 ( -0.000 -0.000 1.729) 1.729 6.209 ( 0.000 0.000 -2.374) 2.374 6.515 ( 0.000 0.000 -17.355) 17.355 6.897 ( -0.000 -0.000 6.217) 6.217 7.206 ( -0.000 -0.000 3.121) 3.121 7.302 ( 0.000 0.000 -5.281) 5.281 7.923 ( -0.000 -0.000 11.894) 11.894 8.044 ( 0.000 0.000 -6.826) 6.826 8.065 ( -0.000 -0.000 7.332) 7.332 8.238 ( 0.000 0.000 -9.829) 9.829 8.326 ( -0.000 -0.000 7.740) 7.740 8.715 ( -0.000 -0.000 4.311) 4.311 8.770 ( 0.000 0.000 -4.131) 4.131 9.334 ( -0.000 -0.000 12.033) 12.033 9.421 ( -0.000 -0.000 7.326) 7.326 9.877 ( -0.000 -0.000 0.138) 0.138 9.982 ( -0.000 -0.000 2.144) 2.144 10.315 ( -0.000 -0.000 18.661) 18.661 10.521 ( 0.000 0.000 -5.353) 5.353 10.667 ( -0.000 -0.000 20.087) 20.087 11.092 ( 0.000 0.000 -6.357) 6.357 11.425 ( 0.000 0.000 -5.281) 5.281 11.741 ( -0.000 -0.000 6.945) 6.945 12.859 ( -0.000 -0.000 10.824) 10.824 12.965 ( -0.000 -0.000 1.755) 1.755 13.033 ( 0.000 0.000 -10.960) 10.960 13.072 ( -0.000 -0.000 1.705) 1.705 13.279 ( 0.000 0.000 -11.477) 11.477 13.458 ( -0.000 -0.000 11.072) 11.072 14.340 ( 0.000 0.000 -2.336) 2.336 15.683 ( -0.000 -0.000 9.942) 9.942 15.861 ( 0.000 0.000 -2.309) 2.309 15.950 ( -0.000 -0.000 6.591) 6.591 16.688 ( 0.000 0.000 -16.743) 16.743 16.888 ( -0.000 -0.000 7.398) 7.398 17.624 ( 0.000 0.000 -15.563) 15.563 18.279 ( 0.000 0.000 -33.110) 33.110 19.062 ( -0.000 -0.000 43.606) 43.606 19.869 ( 0.000 0.000 -42.697) 42.697 19.971 ( 0.000 0.000 -13.221) 13.221 21.062 ( -0.000 -0.000 24.678) 24.678 21.650 ( -0.000 -0.000 22.545) 22.545 22.138 ( -0.000 -0.000 19.916) 19.916 22.502 ( -0.000 -0.000 35.256) 35.256 23.942 ( 0.000 0.000 -3.836) 3.836 24.530 ( 0.000 0.000 -21.277) 21.277 25.161 ( 0.000 0.000 -3.621) 3.621 25.254 ( 0.000 0.000 -12.378) 12.378 25.831 ( 0.000 0.000 -3.192) 3.192 26.043 ( 0.000 0.000 -7.494) 7.494 ======================= Grid point 109 (74/96) ======================= q-point: (-0.36 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.885 0.000 -14.954) 14.980 2.030 ( 5.240 -0.000 -0.715) 5.288 2.077 ( 24.085 -0.000 -2.087) 24.176 2.405 ( 3.743 0.000 -8.481) 9.271 2.788 ( 0.677 0.000 -2.924) 3.001 2.956 ( 0.389 -0.000 3.881) 3.901 3.404 ( -8.416 0.000 -2.974) 8.926 3.631 ( -2.510 0.000 3.197) 4.064 3.659 ( -2.488 0.000 -20.517) 20.667 3.799 ( -1.658 0.000 -6.267) 6.482 3.840 ( -5.158 0.000 -6.144) 8.022 4.143 ( 0.822 -0.000 1.931) 2.099 4.294 ( 2.594 -0.000 -3.249) 4.157 4.554 ( -3.883 -0.000 12.069) 12.679 4.561 ( 0.757 0.000 -17.393) 17.409 4.789 ( 1.895 0.000 -8.875) 9.075 4.945 ( 4.135 -0.000 -7.018) 8.145 5.094 ( -0.785 -0.000 10.513) 10.542 5.137 ( 2.257 -0.000 9.251) 9.522 5.303 ( 13.092 -0.000 -11.788) 17.617 5.589 ( 0.985 0.000 -3.294) 3.438 5.970 ( -4.150 0.000 -22.036) 22.423 5.982 ( 3.474 -0.000 10.640) 11.193 6.126 ( 1.477 -0.000 3.147) 3.477 6.678 ( -0.065 0.000 -1.513) 1.515 7.056 ( -8.474 0.000 2.726) 8.902 7.183 ( 14.455 -0.000 -13.440) 19.738 7.226 ( -4.035 -0.000 19.803) 20.210 7.723 ( -6.045 0.000 -11.686) 13.157 7.883 ( -16.427 0.000 6.380) 17.622 7.995 ( 5.640 -0.000 13.982) 15.077 8.029 ( -7.137 0.000 -0.917) 7.195 8.419 ( -4.232 0.000 -6.988) 8.170 8.782 ( 21.110 -0.000 -0.008) 21.110 9.146 ( -3.675 0.000 3.629) 5.165 9.301 ( 14.293 -0.000 -3.596) 14.739 9.426 ( 3.921 -0.000 -7.873) 8.795 9.908 ( -3.558 0.000 3.730) 5.155 9.958 ( -0.311 0.000 -6.340) 6.348 10.150 ( 16.236 -0.000 -0.177) 16.237 10.578 ( -2.188 0.000 -2.364) 3.221 10.734 ( 30.063 -0.000 8.768) 31.315 11.279 ( -0.012 0.000 -10.325) 10.325 11.593 ( 4.847 -0.000 -6.196) 7.867 11.649 ( 3.322 -0.000 5.027) 6.026 12.579 ( -4.059 -0.000 10.152) 10.934 12.816 ( -3.412 0.000 6.634) 7.460 12.970 ( -0.660 -0.000 8.583) 8.608 13.243 ( 3.910 -0.000 13.187) 13.754 13.306 ( 1.116 0.000 -12.153) 12.205 13.531 ( 2.137 0.000 -10.362) 10.581 14.383 ( -4.366 0.000 -5.712) 7.190 15.486 ( -0.832 -0.000 8.102) 8.144 15.776 ( -1.997 -0.000 5.342) 5.703 16.002 ( 8.191 -0.000 -1.315) 8.295 16.641 ( 4.415 -0.000 18.294) 18.819 16.976 ( -2.597 0.000 -13.956) 14.195 17.830 ( -4.507 0.000 -7.347) 8.619 18.302 ( 7.864 -0.000 40.517) 41.273 19.047 ( -0.876 0.000 -38.556) 38.566 20.136 ( -11.400 0.000 -21.006) 23.900 20.525 ( -1.036 -0.000 21.237) 21.263 20.896 ( 4.116 0.000 -39.578) 39.791 21.332 ( -23.193 0.000 19.680) 30.418 21.534 ( 25.780 -0.000 15.848) 30.262 22.153 ( 18.189 -0.000 25.770) 31.543 23.894 ( -3.789 0.000 1.884) 4.231 24.935 ( 1.396 0.000 -14.484) 14.551 25.027 ( -15.832 0.000 -5.842) 16.876 25.507 ( 2.876 -0.000 -0.552) 2.929 25.857 ( -1.622 0.000 -0.670) 1.755 26.073 ( -8.612 0.000 -5.727) 10.342 ======================= Grid point 110 (75/96) ======================= q-point: ( 0.50 -0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 7.704 -0.000 7.601) 10.823 2.070 ( -5.633 0.000 -13.427) 14.560 2.565 ( 7.441 -0.000 -7.809) 10.786 2.729 ( 12.294 -0.000 -3.362) 12.746 2.885 ( 2.043 -0.000 -3.830) 4.341 2.935 ( 6.639 -0.000 2.418) 7.065 3.272 ( -8.934 0.000 -2.044) 9.164 3.443 ( -5.384 0.000 6.537) 8.469 3.649 ( -9.918 0.000 -3.428) 10.494 3.828 ( -10.115 0.000 -6.675) 12.119 3.914 ( -8.273 0.000 15.017) 17.145 3.978 ( -7.976 0.000 -8.160) 11.411 4.173 ( 0.296 -0.000 13.072) 13.075 4.429 ( 5.733 -0.000 -0.665) 5.771 4.717 ( -4.903 0.000 8.826) 10.096 4.848 ( -0.547 0.000 -8.317) 8.335 4.945 ( -11.347 0.000 3.717) 11.941 5.062 ( 4.550 -0.000 4.175) 6.175 5.124 ( -0.697 0.000 -7.706) 7.737 5.661 ( 4.855 0.000 -10.893) 11.926 5.776 ( 6.608 -0.000 3.768) 7.607 5.911 ( 6.166 -0.000 -2.972) 6.845 6.353 ( 12.873 -0.000 -12.013) 17.608 6.394 ( 1.463 0.000 -18.076) 18.135 6.647 ( -8.670 0.000 16.884) 18.979 6.865 ( 7.143 -0.000 -7.637) 10.457 6.905 ( 0.567 -0.000 2.570) 2.632 7.219 ( -15.839 0.000 10.917) 19.237 7.637 ( -1.031 -0.000 18.401) 18.430 7.667 ( -4.227 0.000 2.207) 4.768 7.835 ( 9.056 -0.000 7.993) 12.079 7.846 ( -7.683 0.000 -4.645) 8.978 8.679 ( 14.431 -0.000 -4.905) 15.242 9.016 ( -10.150 0.000 -4.165) 10.972 9.183 ( 14.405 -0.000 -3.990) 14.948 9.552 ( 7.785 -0.000 -4.824) 9.159 9.714 ( -0.550 0.000 -9.549) 9.565 9.954 ( 2.062 0.000 -6.480) 6.801 10.144 ( -0.466 0.000 -10.013) 10.024 10.518 ( -3.964 0.000 -1.964) 4.424 10.670 ( 21.581 -0.000 -10.491) 23.996 11.305 ( 31.583 -0.000 -0.480) 31.586 11.478 ( -2.088 0.000 -9.476) 9.703 11.641 ( 8.114 -0.000 7.647) 11.150 11.849 ( 7.051 -0.000 -6.046) 9.288 12.332 ( -9.830 0.000 1.682) 9.973 12.620 ( 0.704 -0.000 6.764) 6.800 12.679 ( -2.911 -0.000 15.369) 15.642 13.064 ( 2.192 -0.000 10.818) 11.038 13.578 ( 0.652 0.000 -12.321) 12.339 13.817 ( 4.666 0.000 -12.292) 13.147 14.395 ( -7.009 0.000 -6.234) 9.380 15.339 ( 1.554 -0.000 6.045) 6.241 15.645 ( 1.438 -0.000 8.900) 9.016 16.144 ( 5.305 -0.000 5.024) 7.306 16.509 ( 21.822 -0.000 11.715) 24.767 17.168 ( -6.630 0.000 -13.654) 15.179 17.678 ( 6.053 -0.000 33.478) 34.021 17.739 ( -11.844 0.000 -0.735) 11.867 19.469 ( -0.361 0.000 -1.048) 1.109 19.896 ( -27.953 0.000 18.230) 33.372 20.618 ( 10.647 0.000 -23.678) 25.961 20.835 ( -5.107 0.000 -17.572) 18.299 21.702 ( 3.475 0.000 -15.020) 15.417 21.871 ( 33.727 -0.000 10.868) 35.435 22.165 ( 10.935 -0.000 -6.874) 12.917 23.782 ( 3.120 -0.000 6.675) 7.368 24.816 ( -18.162 0.000 -6.689) 19.355 25.162 ( -2.166 0.000 -8.787) 9.050 25.300 ( -8.926 0.000 13.241) 15.969 25.790 ( -3.508 0.000 2.500) 4.308 26.037 ( -8.934 0.000 -7.730) 11.814 ======================= Grid point 111 (76/96) ======================= q-point: ( 0.36 -0.21 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 1.790 -0.000 2.549) 3.115 2.044 ( -13.526 0.000 -1.154) 13.576 2.766 ( 4.383 -0.000 -0.331) 4.395 2.830 ( -11.108 0.000 7.261) 13.271 2.844 ( 1.187 -0.000 0.099) 1.191 3.101 ( -10.274 0.000 -1.701) 10.414 3.153 ( 12.053 -0.000 0.206) 12.054 3.335 ( -2.151 0.000 -7.596) 7.894 3.477 ( -1.582 -0.000 11.427) 11.536 3.534 ( -13.716 0.000 -9.965) 16.954 3.735 ( -20.799 0.000 -6.778) 21.875 3.911 ( -4.397 0.000 -1.601) 4.679 3.921 ( -5.115 0.000 7.469) 9.052 4.337 ( -2.561 -0.000 16.072) 16.274 4.407 ( 0.543 -0.000 12.306) 12.318 4.664 ( -16.371 0.000 -6.226) 17.515 4.879 ( 3.077 -0.000 -0.608) 3.137 5.060 ( -10.925 0.000 6.003) 12.466 5.148 ( 3.354 -0.000 -2.601) 4.244 5.718 ( 9.149 -0.000 9.717) 13.347 5.929 ( -6.517 0.000 -9.853) 11.813 6.140 ( -3.706 0.000 -4.681) 5.970 6.389 ( 3.897 -0.000 -2.570) 4.668 6.447 ( -17.076 0.000 1.025) 17.106 6.768 ( 0.720 0.000 -3.613) 3.684 6.944 ( 5.075 -0.000 -7.538) 9.087 6.946 ( -1.919 0.000 1.080) 2.202 7.233 ( -0.270 -0.000 11.696) 11.699 7.353 ( 15.775 -0.000 -11.626) 19.596 7.404 ( 3.568 -0.000 1.339) 3.811 7.695 ( -11.186 0.000 0.257) 11.189 8.025 ( 18.996 -0.000 10.873) 21.888 8.915 ( -12.767 0.000 -7.945) 15.037 9.069 ( 14.647 -0.000 -2.582) 14.873 9.501 ( 4.024 -0.000 -7.604) 8.603 9.718 ( 7.645 -0.000 3.034) 8.225 9.765 ( -6.012 0.000 -3.638) 7.027 9.995 ( -9.064 0.000 7.970) 12.069 10.188 ( 5.871 -0.000 -6.093) 8.461 10.816 ( 5.348 0.000 -17.747) 18.535 11.347 ( 15.557 -0.000 -17.326) 23.285 11.473 ( -1.062 -0.000 6.347) 6.435 11.697 ( 2.529 -0.000 -1.639) 3.014 11.893 ( 23.040 -0.000 -3.252) 23.269 12.031 ( -15.176 0.000 2.543) 15.387 12.077 ( 8.997 -0.000 -1.032) 9.056 12.281 ( -0.605 -0.000 18.180) 18.191 12.651 ( 8.073 -0.000 0.724) 8.105 12.857 ( -6.000 0.000 5.973) 8.466 13.787 ( -2.941 0.000 -8.383) 8.884 14.254 ( 6.044 0.000 -18.827) 19.774 14.352 ( -8.416 0.000 -4.050) 9.340 15.341 ( 7.526 -0.000 1.946) 7.774 15.375 ( 6.584 -0.000 23.029) 23.952 16.228 ( 4.792 -0.000 -6.345) 7.951 16.844 ( 14.270 -0.000 4.991) 15.118 17.221 ( -17.254 0.000 -9.913) 19.899 17.243 ( 16.881 -0.000 21.495) 27.331 17.505 ( -9.974 0.000 -2.855) 10.375 18.772 ( -39.859 0.000 19.816) 44.513 19.455 ( 7.638 -0.000 5.255) 9.271 21.274 ( 11.820 -0.000 -12.554) 17.243 21.478 ( 20.044 -0.000 -25.315) 32.290 21.856 ( 6.899 -0.000 1.305) 7.021 22.293 ( 26.024 -0.000 9.944) 27.859 22.690 ( -0.671 0.000 -24.271) 24.280 23.855 ( 18.234 -0.000 3.693) 18.604 24.520 ( -14.528 0.000 8.760) 16.965 24.825 ( -16.985 0.000 -0.146) 16.986 25.244 ( -5.402 0.000 -7.327) 9.103 25.601 ( -5.959 0.000 7.149) 9.307 25.989 ( -8.375 0.000 -3.738) 9.171 ======================= Grid point 112 (77/96) ======================= q-point: ( 0.21 -0.21 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -21.917 0.000 -0.000) 21.917 1.882 ( -16.439 0.000 -0.000) 16.439 2.507 ( -10.719 0.000 -0.000) 10.719 2.769 ( -29.510 0.000 -0.000) 29.510 2.789 ( 0.835 -0.000 0.000) 0.835 2.858 ( 1.038 -0.000 0.000) 1.038 3.246 ( -22.895 0.000 -0.000) 22.895 3.309 ( 5.569 -0.000 0.000) 5.569 3.351 ( 0.381 -0.000 0.000) 0.381 3.433 ( -1.899 0.000 -0.000) 1.899 3.590 ( -1.648 0.000 -0.000) 1.648 3.695 ( -11.031 0.000 -0.000) 11.031 3.816 ( -2.098 0.000 -0.000) 2.098 4.191 ( 11.686 -0.000 0.000) 11.686 4.355 ( 5.636 -0.000 0.000) 5.636 4.531 ( -11.151 0.000 -0.000) 11.151 4.540 ( -23.703 0.000 -0.000) 23.703 4.941 ( -0.375 0.000 -0.000) 0.375 5.240 ( 3.756 -0.000 0.000) 3.756 5.721 ( -17.962 0.000 -0.000) 17.962 5.851 ( 13.539 -0.000 0.000) 13.539 5.928 ( -20.835 0.000 -0.000) 20.835 6.103 ( -15.524 0.000 -0.000) 15.524 6.642 ( 8.478 -0.000 0.000) 8.478 6.706 ( -7.436 0.000 -0.000) 7.436 6.732 ( -2.045 0.000 -0.000) 2.045 7.167 ( 5.402 -0.000 0.000) 5.402 7.254 ( 6.591 -0.000 0.000) 6.591 7.451 ( -12.504 0.000 -0.000) 12.504 7.664 ( 15.659 -0.000 0.000) 15.659 7.878 ( 9.054 -0.000 0.000) 9.054 8.136 ( 13.005 -0.000 0.000) 13.005 8.804 ( -7.843 0.000 -0.000) 7.843 9.315 ( 8.215 -0.000 0.000) 8.215 9.617 ( 3.436 -0.000 0.000) 3.436 9.682 ( -8.789 0.000 -0.000) 8.789 9.727 ( -3.906 0.000 -0.000) 3.906 9.842 ( 6.948 -0.000 0.000) 6.948 10.359 ( 4.568 -0.000 0.000) 4.568 11.169 ( -0.398 0.000 -0.000) 0.398 11.240 ( -8.141 0.000 -0.000) 8.141 11.571 ( -18.069 0.000 -0.000) 18.069 11.757 ( -8.291 0.000 -0.000) 8.291 11.939 ( 13.396 -0.000 0.000) 13.396 11.971 ( 5.024 -0.000 0.000) 5.024 12.345 ( 14.723 -0.000 0.000) 14.723 12.394 ( 22.282 -0.000 0.000) 22.282 12.627 ( -6.805 0.000 -0.000) 6.805 12.812 ( 7.216 -0.000 0.000) 7.216 13.754 ( -9.323 0.000 -0.000) 9.323 14.222 ( -8.968 0.000 -0.000) 8.968 14.603 ( 0.471 -0.000 0.000) 0.471 15.229 ( 12.028 -0.000 0.000) 12.028 15.524 ( 11.106 -0.000 0.000) 11.106 16.491 ( 4.810 -0.000 0.000) 4.810 16.631 ( -6.970 0.000 -0.000) 6.970 16.842 ( -27.710 0.000 -0.000) 27.710 17.482 ( -5.399 0.000 -0.000) 5.399 17.635 ( 29.111 -0.000 0.000) 29.111 17.691 ( -38.692 0.000 -0.000) 38.692 19.560 ( 7.319 -0.000 0.000) 7.319 21.768 ( 22.778 -0.000 0.000) 22.778 21.934 ( 2.058 -0.000 0.000) 2.058 22.416 ( 12.746 -0.000 0.000) 12.746 22.434 ( 36.856 -0.000 0.000) 36.856 22.942 ( -3.051 0.000 -0.000) 3.051 24.063 ( -12.649 0.000 -0.000) 12.649 24.316 ( 25.933 -0.000 0.000) 25.933 24.594 ( -14.558 0.000 -0.000) 14.558 25.236 ( -9.728 0.000 -0.000) 9.728 25.316 ( -5.845 0.000 -0.000) 5.845 25.866 ( -7.391 0.000 -0.000) 7.391 ======================= Grid point 115 (78/96) ======================= q-point: ( 0.37 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.000 6.186 6.488) 8.965 1.884 ( 0.000 30.753 7.109) 31.564 2.130 ( 0.000 -0.726 -3.145) 3.227 2.614 ( 0.000 -0.477 -18.630) 18.636 2.741 ( 0.000 2.269 2.140) 3.119 2.912 ( 0.000 2.054 0.332) 2.081 3.380 ( 0.000 9.239 -1.031) 9.296 3.383 ( 0.000 37.108 5.499) 37.513 3.444 ( -0.000 -0.527 4.793) 4.822 3.677 ( 0.000 18.828 14.289) 23.636 3.772 ( 0.000 3.971 -7.739) 8.699 4.035 ( 0.000 6.421 4.040) 7.586 4.121 ( -0.000 2.105 2.557) 3.312 4.231 ( 0.000 14.136 -0.839) 14.161 4.580 ( -0.000 8.031 10.138) 12.934 4.631 ( 0.000 8.007 -9.693) 12.572 4.800 ( 0.000 5.128 -6.327) 8.144 5.190 ( -0.000 -3.299 3.057) 4.498 5.413 ( -0.000 1.158 3.054) 3.266 5.452 ( 0.000 2.037 -5.012) 5.410 5.582 ( 0.000 10.034 -8.860) 13.386 5.885 ( -0.000 -4.413 3.540) 5.657 6.104 ( 0.000 3.768 -2.950) 4.785 6.286 ( 0.000 6.464 4.548) 7.904 6.344 ( -0.000 2.219 6.221) 6.605 6.574 ( -0.000 -14.703 6.416) 16.042 6.888 ( -0.000 -10.459 -2.292) 10.708 7.143 ( -0.000 -11.736 3.208) 12.166 7.721 ( -0.000 -16.791 14.431) 22.141 7.751 ( -0.000 1.720 3.482) 3.884 7.985 ( 0.000 3.109 -7.984) 8.568 8.528 ( -0.000 -26.345 4.843) 26.787 8.533 ( 0.000 14.677 -5.241) 15.585 8.804 ( 0.000 15.047 4.271) 15.642 9.085 ( 0.000 9.577 2.459) 9.887 9.232 ( 0.000 9.447 -11.125) 14.594 9.532 ( 0.000 6.880 3.083) 7.539 9.905 ( 0.000 -3.023 -6.992) 7.617 10.101 ( -0.000 -5.740 -5.344) 7.843 10.341 ( 0.000 0.535 -14.655) 14.665 10.801 ( 0.000 -5.727 -15.663) 16.677 11.269 ( -0.000 0.956 2.669) 2.835 11.290 ( 0.000 -2.077 -13.603) 13.761 11.915 ( 0.000 -0.049 -5.769) 5.769 11.994 ( -0.000 -12.558 7.063) 14.408 12.087 ( 0.000 16.552 -2.082) 16.683 12.338 ( -0.000 -7.316 -0.342) 7.324 12.632 ( -0.000 -8.053 16.523) 18.381 12.897 ( -0.000 -6.061 1.651) 6.282 14.052 ( 0.000 7.599 -8.126) 11.126 14.157 ( -0.000 -10.472 -8.962) 13.784 14.362 ( 0.000 7.135 -10.939) 13.060 15.383 ( -0.000 -11.874 31.676) 33.829 15.391 ( -0.000 -11.371 9.913) 15.086 15.763 ( -0.000 -0.051 4.612) 4.612 16.030 ( -0.000 -2.208 -1.005) 2.426 17.182 ( -0.000 -2.685 13.296) 13.564 17.249 ( 0.000 14.543 -11.801) 18.729 17.764 ( 0.000 16.490 -1.124) 16.528 18.921 ( -0.000 14.501 14.699) 20.648 19.881 ( 0.000 15.176 11.964) 19.325 21.229 ( 0.000 -3.350 -48.242) 48.358 21.449 ( -0.000 -30.032 -12.059) 32.362 21.778 ( -0.000 -28.129 14.583) 31.685 22.189 ( -0.000 -23.476 7.618) 24.681 22.696 ( 0.000 0.310 -29.413) 29.414 23.236 ( -0.000 1.069 18.508) 18.539 24.834 ( 0.000 15.810 -14.783) 21.644 25.240 ( -0.000 2.206 8.378) 8.663 25.462 ( -0.000 2.397 3.761) 4.460 25.585 ( 0.000 8.899 7.409) 11.579 26.204 ( 0.000 9.559 -3.584) 10.209 ======================= Grid point 116 (79/96) ======================= q-point: ( 0.23 -0.23 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 10.874 2.967 -0.000) 11.272 1.859 ( 5.510 28.773 -0.000) 29.296 2.459 ( 18.198 5.187 -0.000) 18.923 2.721 ( -19.309 23.985 -0.000) 30.792 2.741 ( 2.195 1.157 -0.000) 2.481 2.832 ( -4.748 -3.376 0.000) 5.826 3.101 ( 0.064 7.952 -0.000) 7.952 3.392 ( 0.958 0.174 0.000) 0.974 3.396 ( -0.205 3.407 -0.000) 3.413 3.752 ( 3.035 22.782 -0.000) 22.983 3.839 ( 2.724 18.231 -0.000) 18.434 3.892 ( -5.615 -0.809 -0.000) 5.673 4.111 ( -0.433 6.633 -0.000) 6.647 4.299 ( -10.505 3.483 -0.000) 11.067 4.325 ( 8.909 21.648 -0.000) 23.410 4.802 ( -5.030 1.682 -0.000) 5.304 4.941 ( 5.990 20.294 -0.000) 21.160 5.118 ( -1.073 -2.744 0.000) 2.946 5.269 ( -8.033 -0.897 -0.000) 8.083 5.478 ( 2.048 2.560 -0.000) 3.278 5.861 ( 7.055 7.452 -0.000) 10.261 5.891 ( 0.924 -9.541 0.000) 9.586 6.186 ( -4.539 0.342 -0.000) 4.552 6.213 ( 4.207 -6.397 0.000) 7.656 6.458 ( 22.346 13.664 -0.000) 26.192 6.584 ( 11.515 -3.336 0.000) 11.989 6.982 ( 5.758 -9.765 0.000) 11.336 7.187 ( 3.427 -14.873 0.000) 15.262 7.449 ( -5.280 -4.926 0.000) 7.221 7.751 ( 1.643 -9.779 0.000) 9.916 8.006 ( -3.655 -4.756 0.000) 5.999 8.194 ( -31.557 4.065 -0.000) 31.817 8.528 ( 5.678 -13.391 0.000) 14.545 9.107 ( 29.503 -1.746 0.000) 29.554 9.226 ( 2.735 12.267 -0.000) 12.568 9.524 ( 17.687 4.911 -0.000) 18.356 9.550 ( 5.538 12.307 -0.000) 13.495 9.907 ( -2.711 -2.837 0.000) 3.924 10.175 ( 0.522 -7.365 0.000) 7.383 10.675 ( 13.825 2.324 0.000) 14.019 10.940 ( -2.804 5.604 -0.000) 6.267 11.265 ( 4.729 -8.761 0.000) 9.956 11.429 ( -0.390 -1.915 0.000) 1.954 11.935 ( 3.664 -7.450 0.000) 8.302 11.960 ( -3.408 12.001 -0.000) 12.476 12.126 ( 0.548 -0.625 0.000) 0.831 12.365 ( 1.065 -8.395 0.000) 8.462 12.619 ( 15.737 -8.751 0.000) 18.007 12.794 ( -8.370 -6.844 0.000) 10.812 14.067 ( -5.376 11.776 -0.000) 12.945 14.276 ( -0.017 -4.424 0.000) 4.424 14.712 ( -0.351 5.742 -0.000) 5.753 14.772 ( -1.594 -13.474 0.000) 13.568 15.347 ( 6.964 -11.665 0.000) 13.586 15.838 ( 11.244 -1.377 0.000) 11.328 16.139 ( 9.809 -2.993 0.000) 10.256 16.998 ( -4.339 -1.115 0.000) 4.480 17.415 ( 2.202 10.674 -0.000) 10.899 17.700 ( -6.069 16.232 -0.000) 17.329 18.681 ( -8.210 15.188 -0.000) 17.265 19.762 ( 1.386 12.482 -0.000) 12.559 21.133 ( -22.092 -30.578 0.000) 37.724 21.858 ( -0.684 -2.818 0.000) 2.900 22.078 ( 23.274 -35.344 0.000) 42.318 22.154 ( 4.103 -13.166 0.000) 13.791 23.021 ( -1.955 2.761 -0.000) 3.383 23.049 ( 14.918 -5.209 0.000) 15.801 24.790 ( -17.224 8.660 -0.000) 19.278 25.180 ( -2.428 1.314 -0.000) 2.761 25.395 ( -2.567 7.787 -0.000) 8.199 25.456 ( -1.407 10.810 -0.000) 10.901 26.211 ( -2.916 8.629 -0.000) 9.108 ======================= Grid point 129 (80/96) ======================= q-point: ( 0.54 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.000 3.132 8.460) 9.021 2.001 ( 0.000 -1.219 -7.012) 7.117 2.192 ( 0.000 -2.180 -19.214) 19.338 2.440 ( 0.000 16.068 -3.421) 16.428 2.849 ( -0.000 1.985 3.926) 4.399 2.867 ( 0.000 -1.987 -2.639) 3.303 3.486 ( -0.000 1.809 2.839) 3.366 3.501 ( 0.000 7.198 -2.790) 7.719 3.803 ( 0.000 6.760 2.744) 7.296 3.951 ( 0.000 8.539 4.645) 9.721 4.009 ( 0.000 3.097 -5.490) 6.303 4.152 ( 0.000 -0.456 -12.581) 12.589 4.234 ( -0.000 4.665 5.473) 7.192 4.421 ( 0.000 8.727 -0.415) 8.737 4.615 ( -0.000 3.430 8.963) 9.596 4.763 ( 0.000 8.944 -9.321) 12.918 4.915 ( -0.000 -0.256 9.878) 9.881 5.013 ( 0.000 -4.712 -7.055) 8.484 5.279 ( 0.000 0.374 -13.123) 13.128 5.430 ( 0.000 -2.528 -3.912) 4.658 5.632 ( 0.000 8.082 -7.399) 10.957 5.830 ( -0.000 -4.713 3.395) 5.808 6.144 ( -0.000 -7.698 -3.502) 8.457 6.325 ( 0.000 8.892 -4.825) 10.117 6.477 ( -0.000 -5.690 7.064) 9.070 6.792 ( -0.000 -1.082 18.630) 18.662 6.832 ( -0.000 11.826 12.728) 17.374 7.196 ( -0.000 -2.574 7.926) 8.333 7.686 ( -0.000 -9.441 4.539) 10.476 7.858 ( 0.000 4.071 0.850) 4.159 7.881 ( -0.000 -10.945 12.487) 16.604 8.237 ( -0.000 -13.145 2.179) 13.325 8.627 ( 0.000 1.219 -2.379) 2.673 8.828 ( 0.000 2.220 -11.641) 11.851 9.221 ( 0.000 3.416 -3.596) 4.960 9.325 ( 0.000 7.481 -13.068) 15.058 9.626 ( 0.000 -3.265 -12.518) 12.937 9.759 ( 0.000 14.159 5.520) 15.196 10.083 ( 0.000 1.036 -11.318) 11.365 10.087 ( 0.000 13.714 -0.714) 13.733 10.217 ( 0.000 -5.358 -20.778) 21.458 10.866 ( 0.000 -9.518 -12.229) 15.497 11.413 ( 0.000 5.233 3.540) 6.318 11.599 ( 0.000 -7.649 -11.311) 13.654 11.803 ( -0.000 -12.024 -1.112) 12.075 12.387 ( -0.000 -1.965 10.401) 10.585 12.512 ( 0.000 18.663 4.625) 19.228 12.849 ( -0.000 -5.186 8.357) 9.835 12.913 ( -0.000 -2.287 14.479) 14.659 13.722 ( -0.000 -13.178 -10.482) 16.838 13.794 ( 0.000 -2.900 -12.585) 12.915 14.455 ( 0.000 9.114 -4.673) 10.242 15.404 ( -0.000 -8.325 9.583) 12.694 15.642 ( -0.000 -4.925 11.697) 12.692 15.971 ( 0.000 -1.048 -1.920) 2.187 16.102 ( -0.000 -0.146 25.280) 25.280 17.206 ( 0.000 7.674 -12.815) 14.937 17.557 ( -0.000 -1.311 26.778) 26.810 17.929 ( 0.000 8.087 -4.878) 9.444 19.714 ( -0.000 22.786 23.549) 32.768 20.103 ( 0.000 -1.409 -51.243) 51.263 20.557 ( 0.000 22.174 15.854) 27.258 20.744 ( -0.000 -19.922 -9.473) 22.059 21.602 ( -0.000 -30.794 23.295) 38.612 21.855 ( -0.000 -23.027 5.611) 23.701 21.871 ( 0.000 -1.109 -46.857) 46.871 23.651 ( -0.000 5.438 13.916) 14.941 24.892 ( 0.000 19.294 -12.159) 22.806 25.443 ( -0.000 -9.771 0.250) 9.774 25.459 ( -0.000 0.596 6.546) 6.574 25.815 ( 0.000 4.920 2.221) 5.398 26.233 ( 0.000 4.650 -6.107) 7.676 ======================= Grid point 130 (81/96) ======================= q-point: ( 0.40 -0.26 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 7.696 1.335 8.193) 11.320 2.373 ( 2.934 12.069 -3.319) 12.856 2.434 ( 14.152 5.997 -1.703) 15.464 2.592 ( -0.440 1.692 -13.578) 13.690 2.797 ( 1.848 1.468 2.651) 3.549 2.918 ( 0.166 0.402 -1.660) 1.716 3.400 ( -3.127 -1.067 3.475) 4.795 3.484 ( -3.846 3.960 -2.601) 6.102 3.614 ( -20.111 23.326 7.581) 31.718 3.769 ( 2.341 -0.960 3.082) 3.988 3.988 ( -7.489 0.132 0.741) 7.527 4.099 ( -0.670 4.336 -3.174) 5.415 4.279 ( 1.739 12.882 0.929) 13.032 4.488 ( -5.115 -6.124 -2.465) 8.351 4.630 ( 5.793 13.548 2.404) 14.930 4.762 ( 0.602 -1.654 1.771) 2.497 4.935 ( -4.772 9.377 -9.325) 14.059 5.125 ( -2.627 -2.040 -4.336) 5.465 5.433 ( -7.570 1.662 -2.147) 8.043 5.525 ( 5.041 4.530 1.068) 6.861 5.782 ( 0.265 -3.277 -0.748) 3.372 5.905 ( 6.230 8.372 -6.988) 12.559 6.164 ( 6.847 1.825 4.099) 8.186 6.340 ( 8.901 -3.531 -2.352) 9.860 6.493 ( 3.533 8.387 6.360) 11.103 6.672 ( 18.193 -0.034 0.933) 18.217 6.798 ( 6.102 -3.953 -1.408) 7.405 7.056 ( 11.823 -3.841 14.315) 18.959 7.282 ( -4.139 -18.635 16.255) 25.072 7.724 ( -3.899 -19.987 3.423) 20.650 7.834 ( 0.632 3.783 2.520) 4.589 8.163 ( -19.254 -4.083 -4.767) 20.251 8.517 ( -3.378 3.098 4.872) 6.690 9.042 ( 12.299 -2.023 -5.791) 13.744 9.387 ( -1.367 8.708 -5.579) 10.432 9.561 ( -2.358 9.786 -15.617) 18.580 9.783 ( 6.272 6.438 0.129) 8.989 9.941 ( 6.926 1.428 -2.279) 7.430 10.122 ( 5.407 10.053 6.576) 13.174 10.484 ( 8.461 4.154 -19.348) 21.522 10.739 ( 9.407 -5.194 -16.537) 19.722 11.124 ( 2.599 -14.352 -8.239) 16.751 11.331 ( 3.903 -0.239 8.809) 9.638 11.791 ( -1.461 -7.787 -8.170) 11.381 11.874 ( 5.550 -5.570 -1.078) 7.936 12.301 ( 5.454 -2.620 2.284) 6.468 12.353 ( -3.204 8.639 10.664) 14.093 12.620 ( 0.691 -0.490 5.002) 5.074 12.751 ( 0.903 -2.171 6.991) 7.376 13.939 ( -2.216 -7.530 -10.842) 13.385 14.095 ( 0.457 -0.290 -17.331) 17.339 14.517 ( -1.800 7.914 -3.626) 8.889 15.157 ( -1.565 -3.121 18.063) 18.397 15.302 ( 5.996 -10.330 18.248) 21.810 15.859 ( 8.808 0.244 5.002) 10.132 16.100 ( 10.268 -1.182 -0.188) 10.338 17.124 ( -1.052 -1.102 15.170) 15.246 17.449 ( -1.104 6.613 -11.028) 12.906 17.912 ( -7.896 6.328 -0.830) 10.152 19.205 ( -10.262 24.881 10.483) 28.884 20.187 ( -6.608 7.641 17.057) 19.824 20.655 ( -7.115 -17.729 2.199) 19.230 21.236 ( 7.659 -7.936 -35.596) 37.265 21.468 ( 12.747 -16.247 -7.777) 22.066 21.926 ( 8.715 -18.463 2.266) 20.542 22.710 ( -0.197 0.548 -30.824) 30.829 23.317 ( 7.359 0.058 21.804) 23.013 24.959 ( -9.593 7.266 1.258) 12.099 25.233 ( -4.601 2.636 5.405) 7.572 25.437 ( -3.906 1.104 -4.676) 6.192 25.719 ( -2.122 5.563 4.952) 7.744 26.290 ( -5.305 4.025 -4.271) 7.911 ======================= Grid point 131 (82/96) ======================= q-point: ( 0.26 -0.26 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 16.333 -1.922 0.000) 16.445 2.298 ( -8.100 11.168 -0.000) 13.796 2.684 ( -1.889 1.530 -0.000) 2.431 2.770 ( -15.023 19.095 -0.000) 24.296 2.800 ( 2.077 0.529 -0.000) 2.144 2.863 ( 16.781 -0.283 0.000) 16.783 3.174 ( -5.530 7.428 -0.000) 9.260 3.383 ( -0.136 -2.766 0.000) 2.770 3.463 ( -3.076 6.179 -0.000) 6.903 3.781 ( 1.310 -2.808 0.000) 3.098 3.882 ( -3.773 9.784 -0.000) 10.486 4.146 ( -16.392 9.052 -0.000) 18.726 4.176 ( -15.086 9.527 -0.000) 17.842 4.191 ( 0.702 1.351 -0.000) 1.522 4.613 ( -11.129 -17.649 0.000) 20.865 4.719 ( -0.280 0.904 -0.000) 0.947 5.039 ( -0.864 7.280 -0.000) 7.331 5.078 ( -10.848 2.335 -0.000) 11.097 5.159 ( 0.816 0.687 -0.000) 1.066 5.557 ( 1.727 -6.048 0.000) 6.290 5.943 ( 10.173 7.091 -0.000) 12.400 6.018 ( -4.565 14.097 -0.000) 14.818 6.266 ( 9.920 -4.174 0.000) 10.762 6.417 ( 0.217 23.030 -0.000) 23.031 6.802 ( 7.623 2.971 -0.000) 8.182 6.958 ( 6.614 -3.206 0.000) 7.350 6.992 ( 6.743 -14.767 0.000) 16.234 7.077 ( 8.571 -10.126 0.000) 13.267 7.293 ( 22.808 -4.637 0.000) 23.274 7.607 ( -2.324 -22.049 0.000) 22.171 7.643 ( -21.184 -0.501 -0.000) 21.190 7.773 ( -3.462 5.583 -0.000) 6.569 8.672 ( 14.058 5.310 -0.000) 15.027 9.312 ( -11.877 2.510 -0.000) 12.139 9.359 ( 11.905 -1.548 0.000) 12.005 9.601 ( -8.662 10.409 -0.000) 13.542 10.020 ( -2.296 -7.937 0.000) 8.262 10.053 ( 9.390 3.318 -0.000) 9.959 10.082 ( 9.654 -0.001 0.000) 9.654 11.005 ( 6.657 5.382 -0.000) 8.561 11.008 ( 9.158 -0.770 0.000) 9.190 11.361 ( 22.883 -2.749 0.000) 23.047 11.388 ( 10.426 -8.597 0.000) 13.513 11.877 ( -1.096 -11.259 0.000) 11.313 12.018 ( 4.346 1.105 -0.000) 4.484 12.041 ( -7.898 7.766 -0.000) 11.077 12.428 ( -15.419 -6.132 0.000) 16.594 12.437 ( 7.820 1.292 0.000) 7.926 12.812 ( 7.920 -1.316 0.000) 8.029 13.991 ( -4.232 -2.661 0.000) 4.999 14.376 ( -1.858 9.924 -0.000) 10.096 14.684 ( -3.234 -3.444 0.000) 4.725 14.702 ( 7.085 0.786 0.000) 7.128 15.285 ( 8.837 -11.133 0.000) 14.214 16.090 ( 14.800 -1.339 0.000) 14.860 16.433 ( 23.888 -0.030 0.000) 23.888 16.886 ( -4.958 -1.031 0.000) 5.064 17.573 ( -0.977 4.746 -0.000) 4.846 17.673 ( -14.684 2.804 -0.000) 14.949 18.898 ( -11.959 22.817 -0.000) 25.761 19.681 ( -19.199 -12.495 0.000) 22.907 20.659 ( 8.806 10.896 -0.000) 14.010 21.828 ( 21.533 -35.547 0.000) 41.561 21.840 ( 1.256 0.766 -0.000) 1.471 22.068 ( 7.747 -8.278 0.000) 11.338 23.026 ( -2.436 2.240 -0.000) 3.309 23.340 ( 22.516 -3.533 0.000) 22.792 24.573 ( -16.940 5.356 -0.000) 17.766 25.085 ( -10.480 3.243 -0.000) 10.971 25.472 ( -4.049 5.610 -0.000) 6.919 25.534 ( -5.550 4.313 -0.000) 7.029 26.202 ( -7.557 1.611 -0.000) 7.727 ======================= Grid point 143 (83/96) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 0.000 -16.300) 16.300 1.796 ( 0.000 0.000 -11.443) 11.443 1.957 ( -0.000 -0.000 6.809) 6.809 2.387 ( 0.000 0.000 -10.047) 10.047 2.782 ( 0.000 0.000 -3.008) 3.008 2.954 ( -0.000 -0.000 4.093) 4.093 3.507 ( 0.000 0.000 -3.859) 3.859 3.647 ( -0.000 -0.000 4.582) 4.582 3.672 ( 0.000 0.000 -26.784) 26.784 3.829 ( 0.000 0.000 -3.997) 3.997 3.892 ( 0.000 0.000 -7.293) 7.293 4.123 ( -0.000 -0.000 3.276) 3.276 4.273 ( 0.000 0.000 -3.733) 3.733 4.553 ( 0.000 0.000 -17.952) 17.952 4.661 ( -0.000 -0.000 1.439) 1.439 4.699 ( -0.000 -0.000 0.596) 0.596 4.902 ( 0.000 0.000 -4.941) 4.941 5.094 ( -0.000 -0.000 4.824) 4.824 5.120 ( -0.000 -0.000 10.653) 10.653 5.151 ( 0.000 0.000 -16.802) 16.802 5.584 ( 0.000 0.000 -0.834) 0.834 5.952 ( -0.000 -0.000 8.887) 8.887 6.011 ( 0.000 0.000 -21.375) 21.375 6.132 ( -0.000 -0.000 5.197) 5.197 6.688 ( -0.000 -0.000 13.216) 13.216 6.982 ( 0.000 0.000 -21.147) 21.147 7.148 ( -0.000 -0.000 3.663) 3.663 7.268 ( -0.000 -0.000 15.846) 15.846 7.849 ( 0.000 0.000 -5.734) 5.734 7.862 ( -0.000 -0.000 12.361) 12.361 8.031 ( -0.000 -0.000 9.034) 9.034 8.165 ( -0.000 -0.000 7.817) 7.817 8.454 ( 0.000 0.000 -10.260) 10.260 8.700 ( 0.000 0.000 -3.536) 3.536 9.003 ( 0.000 0.000 -17.203) 17.203 9.191 ( 0.000 0.000 -0.287) 0.287 9.373 ( 0.000 0.000 -4.762) 4.762 9.952 ( -0.000 -0.000 1.545) 1.545 9.961 ( 0.000 0.000 -6.806) 6.806 10.000 ( -0.000 -0.000 8.502) 8.502 10.387 ( -0.000 -0.000 5.997) 5.997 10.597 ( 0.000 0.000 -2.627) 2.627 11.281 ( 0.000 0.000 -10.773) 10.773 11.543 ( 0.000 0.000 -5.603) 5.603 11.618 ( -0.000 -0.000 5.316) 5.316 12.612 ( -0.000 -0.000 12.613) 12.613 12.857 ( -0.000 -0.000 5.810) 5.810 12.971 ( -0.000 -0.000 7.962) 7.962 13.196 ( -0.000 -0.000 14.143) 14.143 13.296 ( 0.000 0.000 -12.579) 12.579 13.516 ( 0.000 0.000 -11.611) 11.611 14.428 ( 0.000 0.000 -5.566) 5.566 15.495 ( -0.000 -0.000 8.525) 8.525 15.800 ( -0.000 -0.000 8.135) 8.135 15.912 ( 0.000 0.000 -2.567) 2.567 16.601 ( -0.000 -0.000 20.547) 20.547 17.001 ( 0.000 0.000 -14.068) 14.068 17.875 ( 0.000 0.000 -8.944) 8.944 18.217 ( -0.000 -0.000 37.759) 37.759 19.082 ( 0.000 0.000 -44.827) 44.827 20.263 ( 0.000 0.000 -13.247) 13.247 20.550 ( -0.000 -0.000 24.555) 24.555 20.838 ( 0.000 0.000 -50.229) 50.229 21.247 ( -0.000 -0.000 15.997) 15.997 21.766 ( -0.000 -0.000 14.529) 14.529 21.772 ( -0.000 -0.000 35.390) 35.390 23.930 ( -0.000 -0.000 5.459) 5.459 24.925 ( 0.000 0.000 -17.253) 17.253 25.204 ( 0.000 0.000 -0.473) 0.473 25.457 ( 0.000 0.000 -6.054) 6.054 25.874 ( 0.000 0.000 -0.811) 0.811 26.162 ( 0.000 0.000 -5.040) 5.040 ======================= Grid point 144 (84/96) ======================= q-point: ( 0.57 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 8.132 -0.000 11.355) 13.967 2.149 ( -2.302 0.000 -18.594) 18.736 2.272 ( 19.853 -0.000 -8.064) 21.428 2.599 ( 0.867 0.000 -8.593) 8.636 2.854 ( 0.903 0.000 -3.309) 3.430 2.880 ( 1.013 -0.000 3.402) 3.550 3.437 ( -6.892 0.000 1.264) 7.007 3.528 ( -3.528 0.000 3.365) 4.875 3.834 ( -8.257 0.000 -5.819) 10.102 3.938 ( -1.480 -0.000 3.836) 4.112 4.054 ( -0.658 0.000 0.853) 1.077 4.104 ( -3.437 0.000 -14.311) 14.718 4.227 ( -11.459 0.000 15.833) 19.545 4.363 ( 0.719 0.000 -3.813) 3.880 4.793 ( 1.441 -0.000 3.167) 3.479 4.862 ( -0.984 0.000 -9.764) 9.813 4.955 ( 3.215 -0.000 4.982) 5.929 4.974 ( 4.177 -0.000 1.046) 4.306 5.238 ( -5.881 0.000 -13.632) 14.846 5.521 ( 8.500 -0.000 -10.410) 13.440 5.693 ( 1.516 -0.000 -2.274) 2.733 5.816 ( 3.093 -0.000 0.779) 3.190 6.107 ( 7.841 -0.000 -2.900) 8.361 6.395 ( -1.003 0.000 -16.882) 16.912 6.628 ( 15.166 -0.000 3.565) 15.579 6.745 ( -2.947 -0.000 25.056) 25.229 6.972 ( -4.864 0.000 6.009) 7.730 7.364 ( 17.015 -0.000 2.098) 17.144 7.569 ( -10.972 -0.000 22.428) 24.968 7.612 ( 2.389 -0.000 15.766) 15.946 7.920 ( -0.172 0.000 -0.502) 0.531 7.997 ( -11.308 0.000 -2.509) 11.583 8.580 ( -8.054 0.000 -3.637) 8.837 8.855 ( 15.346 -0.000 -7.395) 17.035 9.220 ( -10.192 0.000 -10.223) 14.435 9.429 ( 7.448 -0.000 -8.720) 11.468 9.673 ( 4.457 0.000 -12.837) 13.588 9.927 ( 0.983 -0.000 -1.368) 1.684 10.145 ( -0.058 0.000 -12.259) 12.260 10.296 ( 15.864 -0.000 -15.174) 21.952 10.593 ( -2.965 0.000 0.796) 3.070 10.689 ( 26.177 -0.000 -3.723) 26.440 11.501 ( -0.529 0.000 -10.679) 10.692 11.531 ( 3.146 -0.000 7.163) 7.824 11.714 ( 6.078 -0.000 -5.581) 8.252 12.388 ( 1.221 -0.000 7.739) 7.835 12.693 ( -5.263 0.000 5.041) 7.288 12.731 ( -2.103 -0.000 14.111) 14.267 12.967 ( 5.664 -0.000 12.633) 13.844 13.568 ( 0.323 0.000 -13.652) 13.656 13.770 ( 0.850 0.000 -13.032) 13.060 14.506 ( -4.018 0.000 -5.815) 7.068 15.323 ( 0.303 -0.000 8.055) 8.060 15.612 ( 1.814 -0.000 12.706) 12.835 16.021 ( 5.800 -0.000 1.301) 5.944 16.197 ( 9.630 -0.000 19.533) 21.778 17.255 ( -2.558 0.000 -13.370) 13.612 17.579 ( 3.556 -0.000 29.420) 29.634 17.932 ( -7.177 0.000 -3.045) 7.796 19.664 ( -17.918 0.000 -9.235) 20.157 20.301 ( -12.660 0.000 6.828) 14.384 20.415 ( 11.716 -0.000 -20.951) 24.005 20.964 ( -7.752 0.000 11.085) 13.526 21.271 ( 24.919 -0.000 8.895) 26.459 21.652 ( 1.990 0.000 -6.865) 7.148 21.962 ( 8.892 0.000 -29.525) 30.835 23.726 ( 2.218 -0.000 14.495) 14.664 25.091 ( -9.450 0.000 -0.345) 9.456 25.214 ( -2.463 0.000 -12.605) 12.843 25.426 ( -3.961 0.000 7.826) 8.771 25.844 ( -1.892 0.000 2.007) 2.759 26.205 ( -6.949 0.000 -6.826) 9.741 ======================= Grid point 147 (85/96) ======================= q-point: ( 0.43 -0.29 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 13.637 -0.000 7.094) 15.372 2.306 ( -12.594 0.000 -8.336) 15.103 2.688 ( 5.357 -0.000 -3.622) 6.466 2.788 ( 7.254 -0.000 -1.736) 7.459 2.882 ( 9.393 -0.000 2.761) 9.790 2.941 ( -0.228 0.000 -0.688) 0.725 3.284 ( -8.126 0.000 2.058) 8.382 3.403 ( -4.085 0.000 -4.334) 5.956 3.585 ( -11.289 0.000 11.693) 16.253 3.803 ( -11.515 0.000 -11.590) 16.337 3.846 ( 1.788 -0.000 5.087) 5.392 4.101 ( -13.240 0.000 -3.750) 13.761 4.118 ( -4.737 0.000 -4.596) 6.600 4.405 ( -3.219 0.000 3.296) 4.607 4.540 ( -14.558 0.000 8.374) 16.795 4.800 ( 2.926 -0.000 7.917) 8.441 4.934 ( -7.971 0.000 -4.220) 9.019 5.108 ( 1.091 0.000 -5.427) 5.536 5.223 ( -8.707 0.000 0.675) 8.733 5.597 ( 2.875 -0.000 8.867) 9.322 5.903 ( 7.124 -0.000 -10.725) 12.876 6.096 ( 6.778 -0.000 -9.324) 11.527 6.360 ( 0.150 -0.000 8.824) 8.825 6.607 ( 15.805 -0.000 -12.772) 20.320 6.678 ( -0.960 0.000 -6.417) 6.488 6.879 ( 5.412 -0.000 0.421) 5.428 6.936 ( -5.449 0.000 5.573) 7.794 7.000 ( 16.201 -0.000 0.409) 16.206 7.294 ( -3.114 -0.000 13.918) 14.262 7.560 ( 6.379 -0.000 14.642) 15.971 7.647 ( -4.812 0.000 1.690) 5.100 7.860 ( -4.672 0.000 1.753) 4.990 8.737 ( 17.021 -0.000 -0.985) 17.049 9.193 ( -14.752 0.000 -10.681) 18.213 9.287 ( 14.928 -0.000 -4.904) 15.713 9.689 ( -1.797 0.000 -6.287) 6.539 9.850 ( -2.551 0.000 -4.110) 4.837 10.053 ( 7.619 -0.000 -3.177) 8.255 10.194 ( -10.536 0.000 4.726) 11.547 10.711 ( 4.845 0.000 -15.918) 16.639 10.959 ( 19.766 -0.000 -15.283) 24.985 11.343 ( 29.820 -0.000 -1.630) 29.864 11.410 ( 5.351 -0.000 12.772) 13.847 11.672 ( -0.876 0.000 -6.747) 6.804 11.965 ( 5.610 -0.000 -5.047) 7.546 12.332 ( -9.221 0.000 -1.177) 9.295 12.343 ( -4.462 -0.000 15.766) 16.386 12.499 ( 3.730 -0.000 4.827) 6.100 12.880 ( 3.796 -0.000 6.417) 7.456 13.830 ( -1.630 0.000 -10.979) 11.099 14.147 ( 4.251 0.000 -20.107) 20.552 14.502 ( -6.648 0.000 -3.890) 7.702 15.220 ( 4.663 -0.000 5.195) 6.980 15.256 ( 5.512 -0.000 27.249) 27.801 16.069 ( 10.728 -0.000 0.451) 10.738 16.413 ( 22.226 -0.000 -0.149) 22.227 17.112 ( 1.258 -0.000 20.985) 21.023 17.446 ( -6.030 0.000 -12.644) 14.009 17.736 ( -13.222 0.000 1.055) 13.264 19.405 ( -3.817 0.000 4.021) 5.544 19.495 ( -31.978 0.000 17.068) 36.248 21.009 ( 14.129 -0.000 1.627) 14.222 21.160 ( 12.312 -0.000 -19.540) 23.095 21.776 ( 2.070 0.000 -5.385) 5.769 21.793 ( 24.531 -0.000 -6.292) 25.325 22.704 ( -0.691 0.000 -28.729) 28.737 23.530 ( 14.012 -0.000 15.788) 21.109 24.794 ( -13.161 0.000 10.538) 16.860 25.112 ( -11.344 0.000 1.807) 11.487 25.358 ( -5.586 0.000 -9.866) 11.338 25.705 ( -4.507 0.000 5.762) 7.315 26.167 ( -9.175 0.000 -4.577) 10.254 ======================= Grid point 148 (86/96) ======================= q-point: ( 0.29 -0.29 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 4.599 -0.000 0.000) 4.599 2.035 ( -19.145 0.000 -0.000) 19.145 2.741 ( -12.607 0.000 -0.000) 12.607 2.760 ( 1.685 -0.000 0.000) 1.685 2.840 ( 1.099 -0.000 0.000) 1.099 3.133 ( -9.337 0.000 -0.000) 9.337 3.150 ( 12.726 -0.000 0.000) 12.726 3.344 ( 0.327 -0.000 0.000) 0.327 3.473 ( -4.542 0.000 -0.000) 4.542 3.743 ( -14.901 0.000 -0.000) 14.901 3.817 ( 1.980 -0.000 0.000) 1.980 3.831 ( -32.762 0.000 -0.000) 32.762 3.967 ( -16.333 0.000 -0.000) 16.333 4.034 ( 3.564 -0.000 0.000) 3.564 4.248 ( 4.714 -0.000 0.000) 4.714 4.792 ( -14.579 0.000 -0.000) 14.579 4.884 ( 6.630 -0.000 0.000) 6.630 4.930 ( -14.599 0.000 -0.000) 14.599 5.184 ( 1.573 -0.000 0.000) 1.573 5.611 ( 9.767 -0.000 0.000) 9.767 6.037 ( -9.656 0.000 -0.000) 9.656 6.182 ( -6.574 0.000 -0.000) 6.574 6.406 ( -14.178 0.000 -0.000) 14.178 6.448 ( 10.864 -0.000 0.000) 10.864 6.819 ( -9.257 0.000 -0.000) 9.257 6.927 ( -12.639 0.000 -0.000) 12.639 7.038 ( 7.548 -0.000 0.000) 7.548 7.105 ( 9.396 -0.000 0.000) 9.396 7.332 ( 17.668 -0.000 0.000) 17.668 7.626 ( 13.615 -0.000 0.000) 13.615 7.686 ( -10.537 0.000 -0.000) 10.537 7.805 ( 20.175 -0.000 0.000) 20.175 9.028 ( -14.279 0.000 -0.000) 14.279 9.094 ( 14.687 -0.000 0.000) 14.687 9.635 ( 13.508 -0.000 0.000) 13.508 9.638 ( -4.697 0.000 -0.000) 4.697 9.818 ( -5.219 0.000 -0.000) 5.219 9.870 ( -10.156 0.000 -0.000) 10.156 10.249 ( 6.598 -0.000 0.000) 6.598 11.098 ( 5.264 -0.000 0.000) 5.264 11.284 ( 3.571 -0.000 0.000) 3.571 11.663 ( 24.883 -0.000 0.000) 24.883 11.759 ( 3.889 -0.000 0.000) 3.889 11.859 ( 16.089 -0.000 0.000) 16.089 11.978 ( 1.608 -0.000 0.000) 1.608 11.987 ( -21.067 0.000 -0.000) 21.067 12.140 ( 4.443 -0.000 0.000) 4.443 12.645 ( 9.615 -0.000 0.000) 9.615 12.793 ( -6.183 0.000 -0.000) 6.183 13.882 ( -4.595 0.000 -0.000) 4.595 14.395 ( -8.353 0.000 -0.000) 8.353 14.593 ( 0.658 -0.000 0.000) 0.658 14.978 ( 13.076 -0.000 0.000) 13.076 15.319 ( 9.428 -0.000 0.000) 9.428 16.341 ( 10.724 -0.000 0.000) 10.724 16.763 ( -6.301 0.000 -0.000) 6.301 17.013 ( 32.384 -0.000 0.000) 32.384 17.320 ( -21.262 0.000 -0.000) 21.262 17.569 ( -3.439 0.000 -0.000) 3.439 18.536 ( -43.142 0.000 -0.000) 43.142 19.402 ( 6.816 -0.000 0.000) 6.816 21.340 ( 20.479 -0.000 0.000) 20.479 21.780 ( 28.421 -0.000 0.000) 28.421 21.894 ( 1.922 -0.000 0.000) 1.922 22.174 ( 11.452 -0.000 0.000) 11.452 23.000 ( -2.739 0.000 -0.000) 2.739 23.792 ( 26.301 -0.000 0.000) 26.301 24.326 ( -14.197 0.000 -0.000) 14.197 24.885 ( -14.060 0.000 -0.000) 14.060 25.421 ( -8.797 0.000 -0.000) 8.797 25.430 ( -5.578 0.000 -0.000) 5.578 26.030 ( -9.047 0.000 -0.000) 9.047 ======================= Grid point 152 (87/96) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 6.075 -0.000) 6.075 1.800 ( 0.000 32.210 -0.000) 32.210 2.164 ( -0.000 -0.333 0.000) 0.333 2.718 ( 0.000 1.664 -0.000) 1.664 2.882 ( -0.000 -2.462 0.000) 2.462 2.895 ( 0.000 3.656 -0.000) 3.656 3.315 ( 0.000 43.272 -0.000) 43.272 3.381 ( 0.000 0.088 -0.000) 0.088 3.392 ( 0.000 8.029 -0.000) 8.029 3.463 ( 0.000 25.170 -0.000) 25.170 3.929 ( 0.000 12.203 -0.000) 12.203 3.954 ( -0.000 -6.066 0.000) 6.066 4.092 ( 0.000 3.119 -0.000) 3.119 4.241 ( 0.000 15.661 -0.000) 15.661 4.483 ( 0.000 11.519 -0.000) 11.519 4.807 ( 0.000 23.980 -0.000) 23.980 4.829 ( -0.000 -4.816 0.000) 4.816 5.102 ( -0.000 -2.572 0.000) 2.572 5.386 ( 0.000 2.555 -0.000) 2.555 5.502 ( 0.000 3.372 -0.000) 3.372 5.699 ( 0.000 10.637 -0.000) 10.637 5.841 ( -0.000 -11.513 0.000) 11.513 6.193 ( -0.000 -7.922 0.000) 7.922 6.234 ( -0.000 -1.923 0.000) 1.923 6.242 ( 0.000 9.896 -0.000) 9.896 6.450 ( -0.000 -3.796 0.000) 3.796 6.913 ( -0.000 -9.487 0.000) 9.487 7.151 ( -0.000 -16.820 0.000) 16.820 7.547 ( -0.000 -21.619 0.000) 21.619 7.709 ( 0.000 2.863 -0.000) 2.863 8.065 ( 0.000 0.951 -0.000) 0.951 8.474 ( -0.000 -24.619 0.000) 24.619 8.670 ( 0.000 6.934 -0.000) 6.934 8.677 ( 0.000 24.913 -0.000) 24.913 9.059 ( 0.000 11.632 -0.000) 11.632 9.403 ( 0.000 3.619 -0.000) 3.619 9.453 ( 0.000 14.390 -0.000) 14.390 9.974 ( -0.000 -2.721 0.000) 2.721 10.158 ( -0.000 -8.810 0.000) 8.810 10.535 ( 0.000 1.997 -0.000) 1.997 10.974 ( 0.000 4.140 -0.000) 4.140 11.220 ( -0.000 -9.262 0.000) 9.262 11.440 ( -0.000 -1.328 0.000) 1.328 11.889 ( -0.000 -9.058 0.000) 9.058 11.994 ( 0.000 12.672 -0.000) 12.672 12.122 ( 0.000 3.198 -0.000) 3.198 12.368 ( -0.000 -10.578 0.000) 10.578 12.420 ( -0.000 -10.258 0.000) 10.258 12.877 ( -0.000 -6.921 0.000) 6.921 14.134 ( 0.000 15.888 -0.000) 15.888 14.270 ( -0.000 -9.410 0.000) 9.410 14.712 ( 0.000 7.212 -0.000) 7.212 14.793 ( -0.000 -17.121 0.000) 17.121 15.272 ( -0.000 -10.464 0.000) 10.464 15.728 ( -0.000 -1.399 0.000) 1.399 16.041 ( -0.000 -2.330 0.000) 2.330 17.045 ( -0.000 -3.184 0.000) 3.184 17.389 ( 0.000 13.337 -0.000) 13.337 17.772 ( 0.000 17.770 -0.000) 17.770 18.770 ( 0.000 14.360 -0.000) 14.360 19.738 ( 0.000 14.361 -0.000) 14.361 21.574 ( -0.000 -40.320 0.000) 40.320 21.622 ( -0.000 -26.627 0.000) 26.627 21.867 ( -0.000 -3.177 0.000) 3.177 22.111 ( -0.000 -13.740 0.000) 13.740 22.897 ( -0.000 -3.873 0.000) 3.873 23.041 ( 0.000 2.302 -0.000) 2.302 25.015 ( 0.000 8.115 -0.000) 8.115 25.146 ( -0.000 -0.059 0.000) 0.059 25.429 ( 0.000 6.972 -0.000) 6.972 25.471 ( 0.000 11.932 -0.000) 11.932 26.243 ( 0.000 10.120 -0.000) 10.120 ======================= Grid point 166 (88/96) ======================= q-point: ( 0.47 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.000 2.479 6.996) 7.422 2.115 ( 0.000 -0.428 -4.035) 4.058 2.424 ( 0.000 23.847 3.479) 24.100 2.601 ( 0.000 -0.642 -18.904) 18.915 2.778 ( -0.000 1.788 2.768) 3.296 2.912 ( 0.000 -0.872 -1.550) 1.779 3.422 ( -0.000 -2.056 3.653) 4.192 3.532 ( 0.000 6.955 0.592) 6.980 3.732 ( -0.000 -6.726 2.506) 7.178 3.960 ( 0.000 21.920 -3.221) 22.155 4.053 ( 0.000 13.628 1.418) 13.701 4.139 ( 0.000 6.225 2.452) 6.690 4.178 ( 0.000 6.713 5.839) 8.897 4.462 ( 0.000 6.622 -2.187) 6.974 4.575 ( -0.000 -8.314 -4.634) 9.518 4.763 ( 0.000 9.868 3.687) 10.534 4.984 ( 0.000 8.999 -11.090) 14.282 5.161 ( 0.000 -0.321 -6.348) 6.356 5.446 ( 0.000 4.535 1.042) 4.653 5.487 ( 0.000 1.485 -6.655) 6.818 5.800 ( -0.000 -6.628 2.121) 6.960 5.830 ( 0.000 14.979 -10.331) 18.196 6.128 ( -0.000 2.215 15.577) 15.734 6.293 ( -0.000 -10.789 -9.132) 14.135 6.300 ( -0.000 -6.523 7.936) 10.273 6.534 ( 0.000 16.308 13.917) 21.439 6.722 ( -0.000 -6.462 -4.810) 8.056 6.953 ( -0.000 -7.319 12.366) 14.370 7.326 ( -0.000 -20.198 19.865) 28.329 7.764 ( -0.000 -27.318 5.227) 27.814 7.806 ( 0.000 3.212 2.905) 4.331 8.303 ( 0.000 1.936 -5.391) 5.728 8.720 ( 0.000 5.647 -6.194) 8.382 8.984 ( 0.000 2.981 -2.333) 3.785 9.238 ( 0.000 5.890 -0.208) 5.893 9.603 ( 0.000 8.431 -11.155) 13.982 9.701 ( 0.000 22.863 -1.396) 22.906 9.853 ( 0.000 -2.253 -7.344) 7.681 10.074 ( 0.000 8.359 2.838) 8.827 10.390 ( 0.000 4.547 -17.033) 17.630 10.660 ( 0.000 -8.024 -18.990) 20.615 11.116 ( -0.000 -17.217 -11.044) 20.454 11.291 ( -0.000 0.759 9.417) 9.448 11.805 ( -0.000 -7.070 0.637) 7.099 11.811 ( 0.000 -8.849 -8.953) 12.589 12.239 ( -0.000 -3.155 3.575) 4.768 12.384 ( 0.000 10.588 9.198) 14.025 12.571 ( -0.000 3.879 10.372) 11.073 12.780 ( -0.000 -5.868 3.411) 6.787 13.961 ( 0.000 -9.155 -11.535) 14.726 14.091 ( 0.000 -1.374 -16.986) 17.042 14.534 ( 0.000 9.586 -2.711) 9.962 15.207 ( -0.000 -7.308 9.005) 11.597 15.208 ( -0.000 -7.212 28.492) 29.390 15.769 ( -0.000 0.530 6.903) 6.923 16.001 ( 0.000 -0.824 -1.031) 1.320 17.137 ( -0.000 -1.797 13.837) 13.953 17.459 ( 0.000 7.412 -10.691) 13.009 17.995 ( 0.000 7.471 -1.852) 7.697 19.326 ( 0.000 26.928 13.393) 30.075 20.210 ( 0.000 18.784 14.661) 23.828 20.824 ( -0.000 -34.305 0.436) 34.308 21.158 ( 0.000 -6.889 -39.288) 39.887 21.258 ( -0.000 -22.019 2.274) 22.137 21.853 ( -0.000 -11.577 -3.518) 12.100 22.711 ( 0.000 0.861 -31.997) 32.008 23.245 ( -0.000 0.006 24.610) 24.610 25.062 ( 0.000 7.896 -4.251) 8.968 25.272 ( -0.000 1.128 9.882) 9.946 25.477 ( 0.000 0.475 -4.129) 4.157 25.740 ( 0.000 6.022 4.860) 7.738 26.346 ( 0.000 5.095 -4.256) 6.638 ======================= Grid point 167 (89/96) ======================= q-point: ( 0.33 -0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 7.377 1.236 0.000) 7.480 2.374 ( -0.756 23.914 -0.000) 23.926 2.465 ( 21.547 -0.843 0.000) 21.563 2.753 ( -0.882 -0.874 0.000) 1.242 2.784 ( -3.399 -0.688 0.000) 3.468 2.935 ( -0.598 1.412 -0.000) 1.534 3.381 ( 0.333 -1.771 0.000) 1.802 3.438 ( -12.249 10.160 -0.000) 15.914 3.556 ( -13.080 22.306 -0.000) 25.858 3.741 ( 2.274 -11.079 0.000) 11.310 3.991 ( -8.346 7.818 -0.000) 11.436 4.142 ( 1.448 0.116 0.000) 1.453 4.261 ( 4.120 19.552 -0.000) 19.981 4.532 ( -16.873 13.683 -0.000) 21.724 4.579 ( 8.736 -1.181 0.000) 8.816 4.741 ( 2.674 -5.159 0.000) 5.811 5.126 ( -1.266 3.379 -0.000) 3.608 5.262 ( -14.282 1.315 -0.000) 14.342 5.262 ( -6.366 11.401 -0.000) 13.058 5.516 ( 3.092 1.361 -0.000) 3.378 5.775 ( 5.672 -1.376 0.000) 5.836 6.044 ( 3.145 13.811 -0.000) 14.165 6.067 ( 8.481 -8.538 0.000) 12.034 6.370 ( 3.379 16.745 -0.000) 17.083 6.541 ( 29.714 -2.126 0.000) 29.790 6.563 ( 11.875 1.959 0.000) 12.036 6.835 ( 5.291 -4.734 0.000) 7.100 6.909 ( 6.983 -13.968 0.000) 15.617 7.080 ( 2.295 -23.771 0.000) 23.882 7.658 ( -2.335 -25.378 0.000) 25.485 7.806 ( 0.419 1.755 -0.000) 1.805 8.267 ( -36.097 3.177 -0.000) 36.237 8.427 ( 8.163 2.478 -0.000) 8.531 9.105 ( 11.826 -1.018 0.000) 11.869 9.450 ( 0.560 10.983 -0.000) 10.997 9.764 ( 0.828 9.782 -0.000) 9.817 9.829 ( 3.972 -5.603 0.000) 6.868 9.891 ( 7.318 30.920 -0.000) 31.774 10.039 ( 0.832 -6.611 0.000) 6.663 10.750 ( 13.736 5.619 -0.000) 14.841 10.972 ( -1.574 -1.596 0.000) 2.241 11.081 ( 6.182 -10.093 0.000) 11.836 11.268 ( 2.689 -14.996 0.000) 15.235 11.861 ( 4.285 -2.434 0.000) 4.928 11.936 ( 1.307 -12.171 0.000) 12.241 12.169 ( -4.740 9.323 -0.000) 10.459 12.285 ( 6.574 -3.242 0.000) 7.330 12.603 ( 10.662 5.551 -0.000) 12.020 12.663 ( -8.160 -6.371 0.000) 10.352 14.071 ( -3.244 -5.477 0.000) 6.365 14.405 ( -1.166 12.402 -0.000) 12.457 14.587 ( 4.294 -6.024 0.000) 7.398 14.740 ( -2.083 -2.612 0.000) 3.341 15.145 ( 4.997 -8.607 0.000) 9.952 15.817 ( 10.727 -0.717 0.000) 10.751 16.106 ( 9.867 -0.745 0.000) 9.895 16.965 ( -2.869 -1.630 0.000) 3.299 17.582 ( -0.118 6.252 -0.000) 6.253 17.916 ( -9.341 6.510 -0.000) 11.385 19.091 ( -8.304 26.437 -0.000) 27.711 19.986 ( -7.988 5.922 -0.000) 9.943 20.626 ( -6.997 -17.499 0.000) 18.846 21.421 ( 19.799 -32.341 0.000) 37.921 21.822 ( 0.520 -0.743 0.000) 0.907 21.947 ( 4.294 -8.257 0.000) 9.306 22.977 ( 13.385 -2.471 0.000) 13.611 23.063 ( -1.288 1.554 -0.000) 2.019 24.889 ( -14.425 2.641 -0.000) 14.665 25.200 ( -0.993 0.803 -0.000) 1.277 25.539 ( -2.602 6.219 -0.000) 6.741 25.620 ( -3.028 5.996 -0.000) 6.717 26.335 ( -5.329 4.343 -0.000) 6.875 ======================= Grid point 180 (90/96) ======================= q-point: ( 0.64 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.000 -0.000 8.859) 8.859 1.989 ( 0.000 0.000 -7.516) 7.516 2.169 ( 0.000 0.000 -20.555) 20.555 2.598 ( 0.000 0.000 -8.291) 8.291 2.846 ( 0.000 0.000 -3.102) 3.102 2.871 ( -0.000 -0.000 3.622) 3.622 3.502 ( -0.000 -0.000 7.454) 7.454 3.581 ( 0.000 0.000 -3.185) 3.185 3.931 ( -0.000 -0.000 14.762) 14.762 3.937 ( 0.000 0.000 -7.360) 7.360 4.043 ( 0.000 0.000 -6.547) 6.547 4.126 ( 0.000 0.000 -16.421) 16.421 4.360 ( 0.000 0.000 -4.568) 4.568 4.458 ( -0.000 -0.000 10.176) 10.176 4.650 ( -0.000 -0.000 7.767) 7.767 4.874 ( 0.000 0.000 -12.850) 12.850 4.928 ( -0.000 -0.000 1.361) 1.361 4.959 ( 0.000 0.000 -0.464) 0.464 5.283 ( 0.000 0.000 -13.718) 13.718 5.407 ( 0.000 0.000 -9.843) 9.843 5.697 ( 0.000 0.000 -11.000) 11.000 5.780 ( -0.000 -0.000 7.697) 7.697 6.074 ( 0.000 0.000 -0.535) 0.535 6.402 ( 0.000 0.000 -1.253) 1.253 6.415 ( 0.000 0.000 -2.059) 2.059 6.786 ( -0.000 -0.000 27.981) 27.981 7.020 ( -0.000 -0.000 9.043) 9.043 7.172 ( -0.000 -0.000 4.572) 4.572 7.585 ( -0.000 -0.000 13.507) 13.507 7.655 ( -0.000 -0.000 25.637) 25.637 7.907 ( -0.000 -0.000 1.586) 1.586 8.156 ( 0.000 0.000 -7.683) 7.683 8.616 ( 0.000 0.000 -6.513) 6.513 8.872 ( 0.000 0.000 -10.714) 10.714 9.252 ( 0.000 0.000 -4.593) 4.593 9.357 ( 0.000 0.000 -13.272) 13.272 9.595 ( 0.000 0.000 -14.108) 14.108 9.903 ( -0.000 -0.000 2.194) 2.194 10.117 ( 0.000 0.000 -18.911) 18.911 10.147 ( 0.000 0.000 -12.082) 12.082 10.426 ( 0.000 0.000 -8.087) 8.087 10.623 ( -0.000 -0.000 0.472) 0.472 11.500 ( -0.000 -0.000 7.003) 7.003 11.508 ( 0.000 0.000 -10.977) 10.977 11.646 ( 0.000 0.000 -4.550) 4.550 12.370 ( -0.000 -0.000 10.272) 10.272 12.750 ( -0.000 -0.000 4.269) 4.269 12.753 ( -0.000 -0.000 13.018) 13.018 12.904 ( -0.000 -0.000 13.302) 13.302 13.565 ( 0.000 0.000 -13.997) 13.997 13.763 ( 0.000 0.000 -12.831) 12.831 14.547 ( 0.000 0.000 -5.647) 5.647 15.321 ( -0.000 -0.000 8.765) 8.765 15.590 ( -0.000 -0.000 14.241) 14.241 15.961 ( 0.000 0.000 -2.074) 2.074 16.105 ( -0.000 -0.000 24.224) 24.224 17.279 ( 0.000 0.000 -13.154) 13.154 17.544 ( -0.000 -0.000 27.146) 27.146 18.005 ( 0.000 0.000 -4.209) 4.209 20.081 ( -0.000 -0.000 20.421) 20.421 20.087 ( 0.000 0.000 -51.728) 51.728 20.417 ( 0.000 0.000 -0.475) 0.475 21.003 ( -0.000 -0.000 7.882) 7.882 21.069 ( -0.000 -0.000 32.419) 32.419 21.622 ( 0.000 0.000 -1.343) 1.343 21.865 ( 0.000 0.000 -47.897) 47.897 23.703 ( -0.000 -0.000 16.875) 16.875 25.185 ( -0.000 -0.000 2.044) 2.044 25.241 ( 0.000 0.000 -13.562) 13.562 25.464 ( -0.000 -0.000 5.353) 5.353 25.863 ( -0.000 -0.000 1.847) 1.847 26.278 ( 0.000 0.000 -6.226) 6.226 ======================= Grid point 183 (91/96) ======================= q-point: (-0.50 0.64 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 6.539 -0.000 8.326) 10.587 2.402 ( 19.998 -0.000 -4.745) 20.553 2.515 ( -7.821 0.000 -15.217) 17.110 2.692 ( 1.721 -0.000 -0.630) 1.833 2.822 ( 0.916 -0.000 2.154) 2.341 2.915 ( 1.475 -0.000 -2.333) 2.761 3.368 ( -1.492 -0.000 3.133) 3.470 3.503 ( -5.771 0.000 0.710) 5.814 3.749 ( 4.550 -0.000 9.336) 10.386 3.945 ( -19.820 0.000 7.780) 21.292 3.987 ( -8.591 0.000 -7.216) 11.220 4.137 ( 0.268 0.000 -1.857) 1.877 4.311 ( -5.025 0.000 -8.078) 9.513 4.460 ( -2.801 0.000 -4.995) 5.727 4.686 ( 6.528 -0.000 5.338) 8.433 4.818 ( -4.132 0.000 7.345) 8.428 5.033 ( -8.011 0.000 -11.207) 13.776 5.092 ( 0.825 0.000 -6.473) 6.526 5.444 ( -9.559 0.000 -4.145) 10.419 5.598 ( -2.243 -0.000 5.805) 6.224 5.722 ( 9.839 -0.000 -8.313) 12.880 5.975 ( 2.490 0.000 -5.780) 6.293 6.259 ( 15.387 -0.000 -11.728) 19.347 6.300 ( 6.368 -0.000 12.307) 13.857 6.543 ( 20.909 -0.000 1.684) 20.977 6.675 ( 3.982 -0.000 -7.576) 8.559 6.808 ( 1.958 -0.000 9.535) 9.734 7.038 ( 5.474 -0.000 23.192) 23.830 7.152 ( 10.986 -0.000 16.796) 20.070 7.330 ( -1.206 -0.000 10.392) 10.462 7.877 ( 2.031 -0.000 3.040) 3.656 8.155 ( -24.275 0.000 -9.897) 26.215 8.554 ( -3.940 0.000 4.565) 6.030 9.018 ( 10.393 -0.000 -6.591) 12.307 9.469 ( -12.277 0.000 -11.420) 16.767 9.631 ( 12.325 -0.000 -8.962) 15.239 9.863 ( 1.265 0.000 -5.458) 5.603 9.922 ( 3.374 -0.000 0.624) 3.431 10.388 ( -8.480 0.000 -4.709) 9.699 10.629 ( 3.523 0.000 -10.499) 11.075 10.649 ( 11.283 -0.000 -15.370) 19.066 10.818 ( 20.014 -0.000 -6.410) 21.016 11.325 ( 2.858 -0.000 12.972) 13.283 11.695 ( -1.029 0.000 -7.214) 7.288 11.823 ( 7.563 -0.000 -4.816) 8.966 12.276 ( 6.035 -0.000 3.182) 6.822 12.432 ( -3.882 -0.000 13.344) 13.897 12.615 ( -7.092 0.000 2.560) 7.540 12.756 ( 6.671 -0.000 7.421) 9.979 13.853 ( -0.758 0.000 -12.899) 12.921 14.089 ( 1.840 0.000 -18.804) 18.894 14.607 ( -3.759 0.000 -3.681) 5.261 15.154 ( 2.105 -0.000 7.852) 8.129 15.163 ( 3.565 -0.000 29.022) 29.240 15.863 ( 8.456 -0.000 5.931) 10.328 16.091 ( 10.132 -0.000 -0.668) 10.154 17.112 ( -0.556 -0.000 15.681) 15.690 17.514 ( -1.716 0.000 -10.943) 11.077 17.969 ( -9.072 0.000 -0.752) 9.103 19.585 ( -12.130 0.000 7.168) 14.090 20.025 ( -22.045 0.000 14.575) 26.428 20.729 ( 14.243 -0.000 10.589) 17.748 20.972 ( 7.427 -0.000 -8.868) 11.567 21.352 ( 18.301 -0.000 -28.700) 34.039 21.751 ( 0.752 0.000 -6.979) 7.020 22.716 ( -0.470 0.000 -31.835) 31.839 23.317 ( 7.371 -0.000 23.943) 25.052 25.026 ( -9.670 0.000 6.993) 11.934 25.260 ( -3.668 0.000 5.815) 6.875 25.449 ( -3.378 0.000 -10.156) 10.703 25.774 ( -2.439 0.000 4.716) 5.309 26.328 ( -6.392 0.000 -4.576) 7.861 ======================= Grid point 185 (92/96) ======================= q-point: ( 0.36 -0.36 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 15.240 -0.000 0.000) 15.240 2.392 ( -16.850 0.000 -0.000) 16.850 2.723 ( 2.034 -0.000 0.000) 2.034 2.816 ( 1.183 -0.000 0.000) 1.183 2.834 ( 17.810 -0.000 0.000) 17.810 2.931 ( -4.245 0.000 -0.000) 4.245 3.303 ( -11.317 0.000 -0.000) 11.317 3.339 ( 0.134 -0.000 0.000) 0.134 3.608 ( -9.191 0.000 -0.000) 9.191 3.742 ( 5.467 -0.000 0.000) 5.467 3.984 ( -2.925 0.000 -0.000) 2.925 4.148 ( -18.020 0.000 -0.000) 18.020 4.175 ( 2.621 -0.000 0.000) 2.621 4.322 ( -18.933 0.000 -0.000) 18.933 4.438 ( -25.425 0.000 -0.000) 25.425 4.704 ( 10.082 -0.000 0.000) 10.082 5.085 ( -14.608 0.000 -0.000) 14.608 5.105 ( -4.725 0.000 -0.000) 4.725 5.168 ( 0.373 -0.000 0.000) 0.373 5.493 ( 1.907 -0.000 0.000) 1.907 6.031 ( 7.993 -0.000 0.000) 7.993 6.213 ( 12.937 -0.000 0.000) 12.937 6.274 ( -3.691 0.000 -0.000) 3.691 6.623 ( -6.577 0.000 -0.000) 6.577 6.855 ( 12.129 -0.000 0.000) 12.129 6.886 ( 12.166 -0.000 0.000) 12.166 6.921 ( 7.524 -0.000 0.000) 7.524 6.988 ( 16.118 -0.000 0.000) 16.118 7.127 ( -6.956 0.000 -0.000) 6.956 7.338 ( 27.084 -0.000 0.000) 27.084 7.639 ( -22.631 0.000 -0.000) 22.631 7.834 ( -3.867 0.000 -0.000) 3.867 8.743 ( 18.997 -0.000 0.000) 18.997 9.332 ( -15.465 0.000 -0.000) 15.465 9.343 ( 14.867 -0.000 0.000) 14.867 9.756 ( -6.035 0.000 -0.000) 6.035 9.894 ( -2.527 0.000 -0.000) 2.527 10.089 ( 10.076 -0.000 0.000) 10.076 10.110 ( -13.675 0.000 -0.000) 13.675 10.995 ( 4.731 -0.000 0.000) 4.731 11.168 ( 6.407 -0.000 0.000) 6.407 11.171 ( 22.054 -0.000 0.000) 22.054 11.336 ( 27.698 -0.000 0.000) 27.698 11.746 ( -1.096 0.000 -0.000) 1.096 12.045 ( 6.660 -0.000 0.000) 6.660 12.130 ( -8.564 0.000 -0.000) 8.564 12.354 ( -15.549 0.000 -0.000) 15.549 12.440 ( 10.757 -0.000 0.000) 10.757 12.814 ( 4.211 -0.000 0.000) 4.211 13.958 ( -3.224 0.000 -0.000) 3.224 14.544 ( -6.574 0.000 -0.000) 6.574 14.583 ( 0.049 -0.000 0.000) 0.049 14.728 ( 11.835 -0.000 0.000) 11.835 15.158 ( 6.759 -0.000 0.000) 6.759 16.078 ( 14.921 -0.000 0.000) 14.921 16.433 ( 24.186 -0.000 0.000) 24.186 16.874 ( -4.795 0.000 -0.000) 4.795 17.620 ( -1.753 0.000 -0.000) 1.753 17.698 ( -16.924 0.000 -0.000) 16.924 19.300 ( -33.282 0.000 -0.000) 33.282 19.359 ( -3.244 0.000 -0.000) 3.244 20.959 ( 18.257 -0.000 0.000) 18.257 21.313 ( 19.354 -0.000 0.000) 19.354 21.860 ( 1.462 -0.000 0.000) 1.462 21.974 ( 8.506 -0.000 0.000) 8.506 23.048 ( -2.005 0.000 -0.000) 2.005 23.307 ( 22.007 -0.000 0.000) 22.007 24.622 ( -15.366 0.000 -0.000) 15.366 25.117 ( -8.694 0.000 -0.000) 8.694 25.531 ( -4.505 0.000 -0.000) 4.505 25.576 ( -6.637 0.000 -0.000) 6.637 26.215 ( -9.352 0.000 -0.000) 9.352 ======================= Grid point 204 (93/96) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 2.116 -0.000) 2.116 2.159 ( -0.000 -0.189 0.000) 0.189 2.376 ( 0.000 26.657 -0.000) 26.657 2.747 ( 0.000 1.483 -0.000) 1.483 2.843 ( -0.000 -1.525 0.000) 1.525 2.924 ( 0.000 0.138 -0.000) 0.138 3.375 ( -0.000 -0.993 0.000) 0.993 3.496 ( 0.000 6.010 -0.000) 6.010 3.713 ( -0.000 -15.485 0.000) 15.485 3.974 ( 0.000 25.400 -0.000) 25.400 4.005 ( 0.000 25.215 -0.000) 25.215 4.129 ( 0.000 1.087 -0.000) 1.087 4.140 ( 0.000 8.638 -0.000) 8.638 4.489 ( 0.000 8.241 -0.000) 8.241 4.634 ( -0.000 -12.979 0.000) 12.979 4.742 ( 0.000 12.030 -0.000) 12.030 5.120 ( 0.000 2.366 -0.000) 2.366 5.265 ( 0.000 23.077 -0.000) 23.077 5.446 ( 0.000 3.623 -0.000) 3.623 5.556 ( 0.000 2.048 -0.000) 2.048 5.667 ( -0.000 -6.347 0.000) 6.347 5.963 ( 0.000 16.979 -0.000) 16.979 5.992 ( -0.000 -13.311 0.000) 13.311 6.223 ( -0.000 -7.865 0.000) 7.865 6.335 ( 0.000 12.194 -0.000) 12.194 6.433 ( 0.000 2.706 -0.000) 2.706 6.778 ( -0.000 -4.539 0.000) 4.539 6.835 ( -0.000 -15.947 0.000) 15.947 7.062 ( -0.000 -25.253 0.000) 25.253 7.699 ( -0.000 -31.054 0.000) 31.054 7.772 ( 0.000 3.096 -0.000) 3.096 8.364 ( 0.000 4.071 -0.000) 4.071 8.815 ( 0.000 7.265 -0.000) 7.265 8.973 ( 0.000 3.487 -0.000) 3.487 9.243 ( 0.000 7.242 -0.000) 7.242 9.668 ( 0.000 7.363 -0.000) 7.363 9.820 ( 0.000 39.374 -0.000) 39.374 9.924 ( -0.000 -2.263 0.000) 2.263 10.003 ( -0.000 -6.409 0.000) 6.409 10.606 ( 0.000 5.338 -0.000) 5.338 10.998 ( -0.000 -0.445 0.000) 0.445 11.028 ( -0.000 -10.270 0.000) 10.270 11.248 ( -0.000 -19.936 0.000) 19.936 11.796 ( -0.000 -1.774 0.000) 1.774 11.935 ( -0.000 -14.932 0.000) 14.932 12.213 ( -0.000 -5.514 0.000) 5.514 12.218 ( 0.000 10.036 -0.000) 10.036 12.485 ( 0.000 10.003 -0.000) 10.003 12.745 ( -0.000 -6.539 0.000) 6.539 14.104 ( -0.000 -7.264 0.000) 7.264 14.418 ( 0.000 13.521 -0.000) 13.521 14.542 ( -0.000 -8.961 0.000) 8.961 14.761 ( -0.000 -1.870 0.000) 1.870 15.095 ( -0.000 -7.246 0.000) 7.246 15.709 ( -0.000 -0.589 0.000) 0.589 16.012 ( -0.000 -0.736 0.000) 0.736 16.994 ( -0.000 -2.001 0.000) 2.001 17.583 ( 0.000 6.903 -0.000) 6.903 18.013 ( 0.000 7.409 -0.000) 7.409 19.185 ( 0.000 28.077 -0.000) 28.077 20.036 ( 0.000 16.003 -0.000) 16.003 20.806 ( -0.000 -39.105 0.000) 39.105 21.136 ( -0.000 -23.077 0.000) 23.077 21.818 ( -0.000 -1.870 0.000) 1.870 21.904 ( -0.000 -7.621 0.000) 7.621 22.840 ( -0.000 -2.056 0.000) 2.056 23.076 ( 0.000 1.305 -0.000) 1.305 25.097 ( 0.000 1.733 -0.000) 1.733 25.148 ( 0.000 0.148 -0.000) 0.148 25.567 ( 0.000 6.064 -0.000) 6.064 25.650 ( 0.000 6.561 -0.000) 6.561 26.391 ( 0.000 5.333 -0.000) 5.333 ======================= Grid point 220 (94/96) ======================= q-point: ( 0.57 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.000 -0.000 7.329) 7.329 2.111 ( 0.000 0.000 -4.291) 4.291 2.594 ( 0.000 0.000 -19.000) 19.000 2.676 ( 0.000 0.000 -0.145) 0.145 2.814 ( -0.000 -0.000 2.070) 2.070 2.901 ( 0.000 0.000 -2.028) 2.028 3.380 ( -0.000 -0.000 4.116) 4.116 3.610 ( -0.000 -0.000 1.204) 1.204 3.643 ( -0.000 -0.000 10.903) 10.903 4.126 ( 0.000 0.000 -9.127) 9.127 4.132 ( 0.000 0.000 -1.756) 1.756 4.299 ( -0.000 -0.000 5.436) 5.436 4.334 ( 0.000 0.000 -4.630) 4.630 4.450 ( -0.000 -0.000 7.528) 7.528 4.462 ( 0.000 0.000 -5.547) 5.547 4.887 ( -0.000 -0.000 1.903) 1.903 5.075 ( 0.000 0.000 -6.732) 6.732 5.153 ( 0.000 0.000 -15.910) 15.910 5.502 ( 0.000 0.000 -7.122) 7.122 5.589 ( 0.000 0.000 -7.550) 7.550 5.641 ( -0.000 -0.000 5.492) 5.492 6.014 ( 0.000 0.000 -17.897) 17.897 6.176 ( 0.000 0.000 -9.359) 9.359 6.185 ( -0.000 -0.000 29.311) 29.311 6.194 ( -0.000 -0.000 7.509) 7.509 6.655 ( 0.000 0.000 -7.845) 7.845 6.784 ( -0.000 -0.000 13.376) 13.376 6.899 ( -0.000 -0.000 18.751) 18.751 7.117 ( -0.000 -0.000 22.816) 22.816 7.349 ( -0.000 -0.000 8.684) 8.684 7.842 ( -0.000 -0.000 3.269) 3.269 8.337 ( 0.000 0.000 -7.082) 7.082 8.766 ( 0.000 0.000 -8.061) 8.061 9.015 ( 0.000 0.000 -1.763) 1.763 9.296 ( 0.000 0.000 -1.493) 1.493 9.617 ( 0.000 0.000 -10.156) 10.156 9.830 ( 0.000 0.000 -7.279) 7.279 9.906 ( 0.000 0.000 -2.408) 2.408 10.493 ( 0.000 0.000 -21.019) 21.019 10.525 ( 0.000 0.000 -15.939) 15.939 10.579 ( -0.000 -0.000 3.200) 3.200 10.630 ( 0.000 0.000 -9.689) 9.689 11.297 ( -0.000 -0.000 13.326) 13.326 11.705 ( 0.000 0.000 -7.405) 7.405 11.735 ( 0.000 0.000 -3.985) 3.985 12.210 ( -0.000 -0.000 5.023) 5.023 12.473 ( -0.000 -0.000 12.364) 12.364 12.682 ( -0.000 -0.000 7.906) 7.906 12.686 ( -0.000 -0.000 1.949) 1.949 13.861 ( 0.000 0.000 -13.601) 13.601 14.070 ( 0.000 0.000 -17.840) 17.840 14.645 ( 0.000 0.000 -3.580) 3.580 15.126 ( -0.000 -0.000 28.911) 28.911 15.134 ( -0.000 -0.000 8.857) 8.857 15.776 ( -0.000 -0.000 7.840) 7.840 15.995 ( 0.000 0.000 -1.134) 1.134 17.119 ( -0.000 -0.000 14.018) 14.018 17.529 ( 0.000 0.000 -10.344) 10.344 18.063 ( 0.000 0.000 -1.633) 1.633 19.743 ( -0.000 -0.000 11.813) 11.813 20.339 ( -0.000 -0.000 5.382) 5.382 20.489 ( -0.000 -0.000 22.213) 22.213 20.877 ( -0.000 -0.000 0.406) 0.406 21.160 ( 0.000 0.000 -45.565) 45.565 21.744 ( 0.000 0.000 -7.316) 7.316 22.721 ( 0.000 0.000 -32.917) 32.917 23.244 ( -0.000 -0.000 26.801) 26.801 25.136 ( -0.000 -0.000 2.240) 2.240 25.283 ( -0.000 -0.000 10.347) 10.347 25.483 ( 0.000 0.000 -10.055) 10.055 25.799 ( -0.000 -0.000 4.321) 4.321 26.395 ( 0.000 0.000 -4.458) 4.458 ======================= Grid point 222 (95/96) ======================= q-point: (-0.57 0.57 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 6.265 -0.000 0.000) 6.265 2.456 ( 20.669 -0.000 0.000) 20.669 2.685 ( 1.615 -0.000 0.000) 1.615 2.688 ( -12.446 0.000 -0.000) 12.446 2.796 ( 0.746 -0.000 0.000) 0.746 2.939 ( 1.335 -0.000 0.000) 1.335 3.338 ( -0.001 0.000 -0.000) 0.001 3.509 ( -6.609 0.000 -0.000) 6.609 3.613 ( 6.911 -0.000 0.000) 6.911 3.885 ( -19.350 0.000 -0.000) 19.350 4.060 ( -6.859 0.000 -0.000) 6.859 4.144 ( 0.687 -0.000 0.000) 0.687 4.426 ( -4.896 0.000 -0.000) 4.896 4.557 ( 2.591 -0.000 0.000) 2.591 4.632 ( 7.198 -0.000 0.000) 7.198 4.680 ( -15.965 0.000 -0.000) 15.965 5.161 ( 0.573 -0.000 0.000) 0.573 5.295 ( -15.457 0.000 -0.000) 15.457 5.358 ( -13.050 0.000 -0.000) 13.050 5.525 ( -4.012 0.000 -0.000) 4.012 5.819 ( 11.520 -0.000 0.000) 11.520 5.940 ( 14.407 -0.000 0.000) 14.407 6.315 ( 0.155 -0.000 0.000) 0.155 6.472 ( 28.727 -0.000 0.000) 28.727 6.553 ( 15.281 -0.000 0.000) 15.281 6.660 ( 9.530 -0.000 0.000) 9.530 6.691 ( 10.678 -0.000 0.000) 10.678 6.747 ( 1.991 -0.000 0.000) 1.991 6.934 ( 8.873 -0.000 0.000) 8.873 7.219 ( -3.155 0.000 -0.000) 3.155 7.841 ( 2.219 -0.000 0.000) 2.219 8.300 ( -38.180 0.000 -0.000) 38.180 8.466 ( 7.387 -0.000 0.000) 7.387 9.089 ( 10.004 -0.000 0.000) 10.004 9.602 ( -11.085 0.000 -0.000) 11.085 9.727 ( 17.912 -0.000 0.000) 17.912 9.916 ( 0.325 -0.000 0.000) 0.325 9.921 ( -0.212 0.000 -0.000) 0.212 10.384 ( -12.821 0.000 -0.000) 12.821 10.846 ( 10.556 -0.000 0.000) 10.556 10.865 ( 17.589 -0.000 0.000) 17.589 10.920 ( 2.703 -0.000 0.000) 2.703 11.055 ( 5.073 -0.000 0.000) 5.073 11.772 ( -1.197 0.000 -0.000) 1.197 11.882 ( 8.457 -0.000 0.000) 8.457 12.246 ( 7.993 -0.000 0.000) 7.993 12.273 ( -5.482 0.000 -0.000) 5.482 12.588 ( -7.970 0.000 -0.000) 7.970 12.678 ( 7.303 -0.000 0.000) 7.303 14.009 ( -1.842 0.000 -0.000) 1.842 14.532 ( 7.362 -0.000 0.000) 7.362 14.594 ( -0.934 0.000 -0.000) 0.934 14.647 ( -3.640 0.000 -0.000) 3.640 15.056 ( 3.479 -0.000 0.000) 3.479 15.810 ( 10.481 -0.000 0.000) 10.481 16.100 ( 9.988 -0.000 0.000) 9.988 16.948 ( -2.603 0.000 -0.000) 2.603 17.643 ( -0.655 0.000 -0.000) 0.655 17.973 ( -10.266 0.000 -0.000) 10.266 19.503 ( -9.259 0.000 -0.000) 9.259 19.853 ( -23.356 0.000 -0.000) 23.356 20.610 ( 17.349 -0.000 0.000) 17.349 20.997 ( 12.530 -0.000 0.000) 12.530 21.838 ( 0.784 -0.000 0.000) 0.784 21.844 ( 4.510 -0.000 0.000) 4.510 22.953 ( 13.015 -0.000 0.000) 13.015 23.078 ( -1.048 0.000 -0.000) 1.048 24.912 ( -13.408 0.000 -0.000) 13.408 25.208 ( -0.376 0.000 -0.000) 0.376 25.602 ( -2.540 0.000 -0.000) 2.540 25.678 ( -3.573 0.000 -0.000) 3.573 26.377 ( -6.326 0.000 -0.000) 6.326 ======================= Grid point 259 (96/96) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.000 0.000 0.000) 0.000 2.157 ( -0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 -0.000) 0.000 2.789 ( 0.000 0.000 -0.000) 0.000 2.828 ( 0.000 0.000 -0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 -0.000) 0.000 3.527 ( 0.000 0.000 -0.000) 0.000 3.568 ( 0.000 0.000 -0.000) 0.000 4.139 ( -0.000 0.000 0.000) 0.000 4.226 ( -0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.371 ( -0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.544 ( -0.000 0.000 0.000) 0.000 4.865 ( -0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 -0.000) 0.000 5.494 ( -0.000 0.000 0.000) 0.000 5.573 ( -0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 -0.000) 0.000 5.676 ( 0.000 0.000 -0.000) 0.000 5.708 ( -0.000 0.000 0.000) 0.000 6.114 ( -0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 -0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 -0.000) 0.000 6.579 ( 0.000 0.000 -0.000) 0.000 6.735 ( -0.000 0.000 0.000) 0.000 6.859 ( -0.000 0.000 0.000) 0.000 7.255 ( -0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 -0.000) 0.000 8.410 ( -0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 -0.000) 0.000 8.983 ( -0.000 0.000 0.000) 0.000 9.316 ( -0.000 0.000 0.000) 0.000 9.728 ( -0.000 0.000 0.000) 0.000 9.900 ( -0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 -0.000) 0.000 10.536 ( -0.000 0.000 0.000) 0.000 10.692 ( -0.000 0.000 0.000) 0.000 10.745 ( -0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 -0.000) 0.000 10.990 ( -0.000 0.000 0.000) 0.000 11.784 ( -0.000 0.000 0.000) 0.000 11.785 ( -0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 -0.000) 0.000 12.330 ( 0.000 0.000 -0.000) 0.000 12.597 ( -0.000 0.000 0.000) 0.000 12.667 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 -0.000) 0.000 14.457 ( 0.000 0.000 -0.000) 0.000 14.606 ( -0.000 0.000 0.000) 0.000 14.683 ( -0.000 0.000 0.000) 0.000 15.022 ( -0.000 0.000 0.000) 0.000 15.704 ( 0.000 0.000 0.000) 0.000 16.006 ( -0.000 0.000 0.000) 0.000 16.974 ( -0.000 0.000 0.000) 0.000 17.649 ( -0.000 0.000 0.000) 0.000 18.079 ( -0.000 0.000 0.000) 0.000 19.618 ( -0.000 0.000 0.000) 0.000 20.243 ( -0.000 0.000 0.000) 0.000 20.275 ( -0.000 0.000 0.000) 0.000 20.859 ( 0.000 0.000 -0.000) 0.000 21.799 ( 0.000 0.000 -0.000) 0.000 21.830 ( -0.000 0.000 0.000) 0.000 22.820 ( -0.000 0.000 0.000) 0.000 23.088 ( 0.000 0.000 -0.000) 0.000 25.110 ( 0.000 0.000 -0.000) 0.000 25.150 ( -0.000 0.000 0.000) 0.000 25.628 ( -0.000 0.000 0.000) 0.000 25.713 ( -0.000 0.000 0.000) 0.000 26.443 ( 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 3/35280 10.0 1481.969 1430.060 1388.404 -0.000 -0.000 0.000 3/35280 20.0 96.273 112.495 73.120 -0.000 -0.000 0.000 3/35280 30.0 35.734 37.607 24.603 -0.000 -0.000 0.000 3/35280 40.0 20.404 20.127 13.892 -0.000 -0.000 0.000 3/35280 50.0 13.955 13.387 9.765 -0.000 -0.000 0.000 3/35280 60.0 10.536 9.984 7.640 -0.000 -0.000 0.000 3/35280 70.0 8.458 7.963 6.337 -0.000 -0.000 0.000 3/35280 80.0 7.078 6.632 5.446 -0.000 -0.000 0.000 3/35280 90.0 6.101 5.692 4.794 -0.000 -0.000 0.000 3/35280 100.0 5.376 4.994 4.295 -0.000 -0.000 0.000 3/35280 110.0 4.818 4.457 3.902 -0.000 -0.000 0.000 3/35280 120.0 4.374 4.031 3.586 -0.000 -0.000 0.000 3/35280 130.0 4.014 3.685 3.328 -0.000 -0.000 0.000 3/35280 140.0 3.716 3.400 3.115 -0.000 -0.000 0.000 3/35280 150.0 3.465 3.161 2.937 -0.000 -0.000 0.000 3/35280 160.0 3.251 2.958 2.786 -0.000 -0.000 0.000 3/35280 170.0 3.065 2.783 2.657 -0.000 -0.000 0.000 3/35280 180.0 2.903 2.631 2.545 -0.000 -0.000 0.000 3/35280 190.0 2.761 2.498 2.448 -0.000 -0.000 0.000 3/35280 200.0 2.634 2.380 2.362 -0.000 -0.000 0.000 3/35280 210.0 2.520 2.275 2.286 -0.000 -0.000 0.000 3/35280 220.0 2.417 2.180 2.217 -0.000 -0.000 0.000 3/35280 230.0 2.324 2.095 2.154 -0.000 -0.000 0.000 3/35280 240.0 2.238 2.017 2.096 -0.000 -0.000 0.000 3/35280 250.0 2.160 1.946 2.043 -0.000 -0.000 0.000 3/35280 260.0 2.088 1.881 1.993 -0.000 -0.000 0.000 3/35280 270.0 2.021 1.821 1.946 -0.000 -0.000 0.000 3/35280 280.0 1.958 1.765 1.902 -0.000 -0.000 0.000 3/35280 290.0 1.900 1.713 1.860 -0.000 -0.000 0.000 3/35280 300.0 1.845 1.664 1.820 -0.000 -0.000 0.000 3/35280 310.0 1.794 1.618 1.783 -0.000 -0.000 0.000 3/35280 320.0 1.746 1.575 1.746 -0.000 -0.000 0.000 3/35280 330.0 1.700 1.535 1.712 -0.000 -0.000 0.000 3/35280 340.0 1.657 1.496 1.678 -0.000 -0.000 0.000 3/35280 350.0 1.616 1.460 1.646 -0.000 -0.000 0.000 3/35280 360.0 1.578 1.426 1.615 -0.000 -0.000 0.000 3/35280 370.0 1.541 1.393 1.585 -0.000 -0.000 0.000 3/35280 380.0 1.505 1.361 1.556 -0.000 -0.000 0.000 3/35280 390.0 1.472 1.332 1.528 -0.000 -0.000 0.000 3/35280 400.0 1.440 1.303 1.501 -0.000 -0.000 0.000 3/35280 410.0 1.409 1.276 1.474 -0.000 -0.000 0.000 3/35280 420.0 1.379 1.249 1.449 -0.000 -0.000 0.000 3/35280 430.0 1.351 1.224 1.424 -0.000 -0.000 0.000 3/35280 440.0 1.324 1.200 1.400 -0.000 -0.000 0.000 3/35280 450.0 1.298 1.177 1.377 -0.000 -0.000 0.000 3/35280 460.0 1.273 1.155 1.354 -0.000 -0.000 0.000 3/35280 470.0 1.249 1.133 1.332 -0.000 -0.000 0.000 3/35280 480.0 1.226 1.112 1.311 -0.000 -0.000 0.000 3/35280 490.0 1.203 1.092 1.290 -0.000 -0.000 0.000 3/35280 500.0 1.182 1.073 1.270 -0.000 -0.000 0.000 3/35280 510.0 1.161 1.054 1.250 -0.000 -0.000 0.000 3/35280 520.0 1.141 1.036 1.231 -0.000 -0.000 0.000 3/35280 530.0 1.121 1.019 1.213 -0.000 -0.000 0.000 3/35280 540.0 1.102 1.002 1.195 -0.000 -0.000 0.000 3/35280 550.0 1.084 0.986 1.177 -0.000 -0.000 0.000 3/35280 560.0 1.067 0.970 1.160 -0.000 -0.000 0.000 3/35280 570.0 1.049 0.955 1.143 -0.000 -0.000 0.000 3/35280 580.0 1.033 0.940 1.127 -0.000 -0.000 0.000 3/35280 590.0 1.017 0.925 1.111 -0.000 -0.000 0.000 3/35280 600.0 1.001 0.911 1.096 -0.000 -0.000 0.000 3/35280 610.0 0.986 0.898 1.081 -0.000 -0.000 0.000 3/35280 620.0 0.971 0.885 1.066 -0.000 -0.000 0.000 3/35280 630.0 0.957 0.872 1.052 -0.000 -0.000 0.000 3/35280 640.0 0.943 0.859 1.038 -0.000 -0.000 0.000 3/35280 650.0 0.930 0.847 1.024 -0.000 -0.000 0.000 3/35280 660.0 0.917 0.835 1.011 -0.000 -0.000 0.000 3/35280 670.0 0.904 0.824 0.998 -0.000 -0.000 0.000 3/35280 680.0 0.892 0.813 0.985 -0.000 -0.000 0.000 3/35280 690.0 0.880 0.802 0.973 -0.000 -0.000 0.000 3/35280 700.0 0.868 0.791 0.960 -0.000 -0.000 0.000 3/35280 710.0 0.856 0.781 0.949 -0.000 -0.000 0.000 3/35280 720.0 0.845 0.771 0.937 -0.000 -0.000 0.000 3/35280 730.0 0.834 0.761 0.926 -0.000 -0.000 0.000 3/35280 740.0 0.824 0.751 0.915 -0.000 -0.000 0.000 3/35280 750.0 0.813 0.742 0.904 -0.000 -0.000 0.000 3/35280 760.0 0.803 0.733 0.893 -0.000 -0.000 0.000 3/35280 770.0 0.793 0.724 0.883 -0.000 -0.000 0.000 3/35280 780.0 0.784 0.715 0.873 -0.000 -0.000 0.000 3/35280 790.0 0.774 0.707 0.863 -0.000 -0.000 0.000 3/35280 800.0 0.765 0.699 0.853 -0.000 -0.000 0.000 3/35280 810.0 0.756 0.690 0.844 -0.000 -0.000 0.000 3/35280 820.0 0.747 0.682 0.835 -0.000 -0.000 0.000 3/35280 830.0 0.739 0.675 0.825 -0.000 -0.000 0.000 3/35280 840.0 0.730 0.667 0.817 -0.000 -0.000 0.000 3/35280 850.0 0.722 0.660 0.808 -0.000 -0.000 0.000 3/35280 860.0 0.714 0.652 0.799 -0.000 -0.000 0.000 3/35280 870.0 0.706 0.645 0.791 -0.000 -0.000 0.000 3/35280 880.0 0.699 0.638 0.783 -0.000 -0.000 0.000 3/35280 890.0 0.691 0.632 0.775 -0.000 -0.000 0.000 3/35280 900.0 0.684 0.625 0.767 -0.000 -0.000 0.000 3/35280 910.0 0.677 0.618 0.759 -0.000 -0.000 0.000 3/35280 920.0 0.670 0.612 0.751 -0.000 -0.000 0.000 3/35280 930.0 0.663 0.606 0.744 -0.000 -0.000 0.000 3/35280 940.0 0.656 0.599 0.737 -0.000 -0.000 0.000 3/35280 950.0 0.649 0.593 0.729 -0.000 -0.000 0.000 3/35280 960.0 0.643 0.588 0.722 -0.000 -0.000 0.000 3/35280 970.0 0.636 0.582 0.716 -0.000 -0.000 0.000 3/35280 980.0 0.630 0.576 0.709 -0.000 -0.000 0.000 3/35280 990.0 0.624 0.570 0.702 -0.000 -0.000 0.000 3/35280 1000.0 0.618 0.565 0.696 -0.000 -0.000 0.000 3/35280 Thermal conductivity related properties were written into "kappa-m1770.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:45:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|