----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:31:04]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.347214700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.395674559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): *1 Cs 0.17247069973860 0.75000000000000 0.08955958166076 132.905 *2 Cs 0.98970216741336 0.75000000000000 0.70309736290506 132.905 3 Cs 0.01029783258664 0.25000000000000 0.29690263709494 132.905 4 Cs 0.51029783258664 0.25000000000000 0.20309736290506 132.905 5 Cs 0.48970216741336 0.75000000000000 0.79690263709494 132.905 6 Cs 0.82752930026140 0.25000000000000 0.91044041833924 132.905 7 Cs 0.67247069973860 0.75000000000000 0.41044041833924 132.905 8 Cs 0.32752930026140 0.25000000000000 0.58955958166076 132.905 *9 Se 0.26692485505208 0.25000000000000 0.91958461947750 78.960 10 Se 0.73307514494793 0.75000000000000 0.08041538052250 78.960 11 Se 0.23307514494793 0.75000000000000 0.41958461947750 78.960 12 Se 0.76692485505207 0.25000000000000 0.58041538052250 78.960 *13 O 0.53371584265988 0.75000000000000 0.08428323111517 15.999 *14 O 0.69667944041071 0.46332385448811 0.64874668025099 15.999 15 O 0.19667944041071 0.03667614551189 0.85125331974901 15.999 *16 O 0.70007519623205 0.25000000000000 0.43981734187601 15.999 17 O 0.03371584265988 0.75000000000000 0.41571676888483 15.999 18 O 0.80332055958929 0.53667614551189 0.14874668025099 15.999 19 O 0.80332055958929 0.96332385448811 0.14874668025099 15.999 20 O 0.30332055958929 0.96332385448811 0.35125331974902 15.999 21 O 0.29992480376795 0.75000000000000 0.56018265812399 15.999 22 O 0.19667944041071 0.46332385448811 0.85125331974901 15.999 23 O 0.69667944041071 0.03667614551189 0.64874668025099 15.999 24 O 0.20007519623205 0.25000000000000 0.06018265812399 15.999 25 O 0.96628415734012 0.25000000000000 0.58428323111517 15.999 26 O 0.79992480376795 0.75000000000000 0.93981734187601 15.999 27 O 0.30332055958929 0.53667614551189 0.35125331974902 15.999 28 O 0.46628415734012 0.25000000000000 0.91571676888483 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.347214700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.395674559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): *1 Cs 0.17247069973860 0.75000000000000 0.08955958166076 132.905 > 1 *2 Cs 0.98970216741336 0.75000000000000 0.70309736290506 132.905 > 2 3 Cs 0.01029783258664 0.25000000000000 0.29690263709494 132.905 > 3 4 Cs 0.51029783258664 0.25000000000000 0.20309736290506 132.905 > 4 5 Cs 0.48970216741336 0.75000000000000 0.79690263709494 132.905 > 5 6 Cs 0.82752930026140 0.25000000000000 0.91044041833924 132.905 > 6 7 Cs 0.67247069973860 0.75000000000000 0.41044041833924 132.905 > 7 8 Cs 0.32752930026140 0.25000000000000 0.58955958166076 132.905 > 8 *9 Se 0.26692485505208 0.25000000000000 0.91958461947750 78.960 > 9 10 Se 0.73307514494793 0.75000000000000 0.08041538052250 78.960 > 10 11 Se 0.23307514494793 0.75000000000000 0.41958461947750 78.960 > 11 12 Se 0.76692485505207 0.25000000000000 0.58041538052250 78.960 > 12 *13 O 0.53371584265988 0.75000000000000 0.08428323111517 15.999 > 13 *14 O 0.69667944041071 0.46332385448811 0.64874668025099 15.999 > 14 15 O 0.19667944041071 0.03667614551189 0.85125331974901 15.999 > 15 *16 O 0.70007519623205 0.25000000000000 0.43981734187601 15.999 > 16 17 O 0.03371584265988 0.75000000000000 0.41571676888483 15.999 > 17 18 O 0.80332055958929 0.53667614551189 0.14874668025099 15.999 > 18 19 O 0.80332055958929 0.96332385448811 0.14874668025099 15.999 > 19 20 O 0.30332055958929 0.96332385448811 0.35125331974902 15.999 > 20 21 O 0.29992480376795 0.75000000000000 0.56018265812399 15.999 > 21 22 O 0.19667944041071 0.46332385448811 0.85125331974901 15.999 > 22 23 O 0.69667944041071 0.03667614551189 0.64874668025099 15.999 > 23 24 O 0.20007519623205 0.25000000000000 0.06018265812399 15.999 > 24 25 O 0.96628415734012 0.25000000000000 0.58428323111517 15.999 > 25 26 O 0.79992480376795 0.75000000000000 0.93981734187601 15.999 > 26 27 O 0.30332055958929 0.53667614551189 0.35125331974902 15.999 > 27 28 O 0.46628415734012 0.25000000000000 0.91571676888483 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.694429400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791349119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): *1 Cs 0.08623534986930 0.37500000000000 0.08955958166076 132.905 > 1 2 Cs 0.58623534986930 0.37500000000000 0.08955958166076 132.905 > 1 3 Cs 0.08623534986930 0.87500000000000 0.08955958166076 132.905 > 1 4 Cs 0.58623534986930 0.87500000000000 0.08955958166076 132.905 > 1 *5 Cs 0.49485108370668 0.37500000000000 0.70309736290506 132.905 > 2 6 Cs 0.99485108370668 0.37500000000000 0.70309736290506 132.905 > 2 7 Cs 0.49485108370668 0.87500000000000 0.70309736290506 132.905 > 2 8 Cs 0.99485108370668 0.87500000000000 0.70309736290506 132.905 > 2 9 Cs 0.00514891629332 0.12500000000000 0.29690263709494 132.905 > 3 10 Cs 0.50514891629332 0.12500000000000 0.29690263709494 132.905 > 3 11 Cs 0.00514891629332 0.62500000000000 0.29690263709494 132.905 > 3 12 Cs 0.50514891629332 0.62500000000000 0.29690263709494 132.905 > 3 13 Cs 0.25514891629332 0.12500000000000 0.20309736290506 132.905 > 4 14 Cs 0.75514891629332 0.12500000000000 0.20309736290506 132.905 > 4 15 Cs 0.25514891629332 0.62500000000000 0.20309736290506 132.905 > 4 16 Cs 0.75514891629332 0.62500000000000 0.20309736290506 132.905 > 4 17 Cs 0.24485108370668 0.37500000000000 0.79690263709494 132.905 > 5 18 Cs 0.74485108370668 0.37500000000000 0.79690263709494 132.905 > 5 19 Cs 0.24485108370668 0.87500000000000 0.79690263709494 132.905 > 5 20 Cs 0.74485108370668 0.87500000000000 0.79690263709494 132.905 > 5 21 Cs 0.41376465013070 0.12500000000000 0.91044041833924 132.905 > 6 22 Cs 0.91376465013070 0.12500000000000 0.91044041833924 132.905 > 6 23 Cs 0.41376465013070 0.62500000000000 0.91044041833924 132.905 > 6 24 Cs 0.91376465013070 0.62500000000000 0.91044041833924 132.905 > 6 25 Cs 0.33623534986930 0.37500000000000 0.41044041833924 132.905 > 7 26 Cs 0.83623534986930 0.37500000000000 0.41044041833924 132.905 > 7 27 Cs 0.33623534986930 0.87500000000000 0.41044041833924 132.905 > 7 28 Cs 0.83623534986930 0.87500000000000 0.41044041833924 132.905 > 7 29 Cs 0.16376465013070 0.12500000000000 0.58955958166076 132.905 > 8 30 Cs 0.66376465013070 0.12500000000000 0.58955958166076 132.905 > 8 31 Cs 0.16376465013070 0.62500000000000 0.58955958166076 132.905 > 8 32 Cs 0.66376465013070 0.62500000000000 0.58955958166076 132.905 > 8 *33 Se 0.13346242752604 0.12500000000000 0.91958461947750 78.960 > 9 34 Se 0.63346242752604 0.12500000000000 0.91958461947750 78.960 > 9 35 Se 0.13346242752604 0.62500000000000 0.91958461947750 78.960 > 9 36 Se 0.63346242752604 0.62500000000000 0.91958461947750 78.960 > 9 37 Se 0.36653757247396 0.37500000000000 0.08041538052250 78.960 > 10 38 Se 0.86653757247396 0.37500000000000 0.08041538052250 78.960 > 10 39 Se 0.36653757247396 0.87500000000000 0.08041538052250 78.960 > 10 40 Se 0.86653757247396 0.87500000000000 0.08041538052250 78.960 > 10 41 Se 0.11653757247396 0.37500000000000 0.41958461947750 78.960 > 11 42 Se 0.61653757247396 0.37500000000000 0.41958461947750 78.960 > 11 43 Se 0.11653757247396 0.87500000000000 0.41958461947750 78.960 > 11 44 Se 0.61653757247396 0.87500000000000 0.41958461947750 78.960 > 11 45 Se 0.38346242752604 0.12500000000000 0.58041538052250 78.960 > 12 46 Se 0.88346242752604 0.12500000000000 0.58041538052250 78.960 > 12 47 Se 0.38346242752604 0.62500000000000 0.58041538052250 78.960 > 12 48 Se 0.88346242752604 0.62500000000000 0.58041538052250 78.960 > 12 *49 O 0.26685792132994 0.37500000000000 0.08428323111517 15.999 > 13 50 O 0.76685792132994 0.37500000000000 0.08428323111517 15.999 > 13 51 O 0.26685792132994 0.87500000000000 0.08428323111517 15.999 > 13 52 O 0.76685792132994 0.87500000000000 0.08428323111517 15.999 > 13 *53 O 0.34833972020536 0.23166192724405 0.64874668025099 15.999 > 14 54 O 0.84833972020536 0.23166192724405 0.64874668025099 15.999 > 14 55 O 0.34833972020536 0.73166192724405 0.64874668025099 15.999 > 14 56 O 0.84833972020536 0.73166192724405 0.64874668025099 15.999 > 14 57 O 0.09833972020536 0.01833807275595 0.85125331974901 15.999 > 15 58 O 0.59833972020536 0.01833807275595 0.85125331974901 15.999 > 15 59 O 0.09833972020536 0.51833807275595 0.85125331974901 15.999 > 15 60 O 0.59833972020536 0.51833807275595 0.85125331974901 15.999 > 15 *61 O 0.35003759811602 0.12500000000000 0.43981734187601 15.999 > 16 62 O 0.85003759811602 0.12500000000000 0.43981734187601 15.999 > 16 63 O 0.35003759811602 0.62500000000000 0.43981734187601 15.999 > 16 64 O 0.85003759811602 0.62500000000000 0.43981734187601 15.999 > 16 65 O 0.01685792132994 0.37500000000000 0.41571676888483 15.999 > 17 66 O 0.51685792132994 0.37500000000000 0.41571676888483 15.999 > 17 67 O 0.01685792132994 0.87500000000000 0.41571676888483 15.999 > 17 68 O 0.51685792132994 0.87500000000000 0.41571676888483 15.999 > 17 69 O 0.40166027979464 0.26833807275595 0.14874668025099 15.999 > 18 70 O 0.90166027979464 0.26833807275595 0.14874668025099 15.999 > 18 71 O 0.40166027979464 0.76833807275595 0.14874668025099 15.999 > 18 72 O 0.90166027979464 0.76833807275595 0.14874668025099 15.999 > 18 73 O 0.40166027979464 0.48166192724405 0.14874668025099 15.999 > 19 74 O 0.90166027979464 0.48166192724405 0.14874668025099 15.999 > 19 75 O 0.40166027979464 0.98166192724405 0.14874668025099 15.999 > 19 76 O 0.90166027979464 0.98166192724405 0.14874668025099 15.999 > 19 77 O 0.15166027979464 0.48166192724405 0.35125331974902 15.999 > 20 78 O 0.65166027979464 0.48166192724405 0.35125331974902 15.999 > 20 79 O 0.15166027979464 0.98166192724405 0.35125331974902 15.999 > 20 80 O 0.65166027979464 0.98166192724405 0.35125331974902 15.999 > 20 81 O 0.14996240188398 0.37500000000000 0.56018265812399 15.999 > 21 82 O 0.64996240188398 0.37500000000000 0.56018265812399 15.999 > 21 83 O 0.14996240188398 0.87500000000000 0.56018265812399 15.999 > 21 84 O 0.64996240188398 0.87500000000000 0.56018265812399 15.999 > 21 85 O 0.09833972020536 0.23166192724405 0.85125331974901 15.999 > 22 86 O 0.59833972020536 0.23166192724405 0.85125331974901 15.999 > 22 87 O 0.09833972020536 0.73166192724405 0.85125331974901 15.999 > 22 88 O 0.59833972020536 0.73166192724405 0.85125331974901 15.999 > 22 89 O 0.34833972020536 0.01833807275595 0.64874668025099 15.999 > 23 90 O 0.84833972020536 0.01833807275595 0.64874668025099 15.999 > 23 91 O 0.34833972020536 0.51833807275595 0.64874668025099 15.999 > 23 92 O 0.84833972020536 0.51833807275595 0.64874668025099 15.999 > 23 93 O 0.10003759811602 0.12500000000000 0.06018265812399 15.999 > 24 94 O 0.60003759811602 0.12500000000000 0.06018265812399 15.999 > 24 95 O 0.10003759811602 0.62500000000000 0.06018265812399 15.999 > 24 96 O 0.60003759811602 0.62500000000000 0.06018265812399 15.999 > 24 97 O 0.48314207867006 0.12500000000000 0.58428323111517 15.999 > 25 98 O 0.98314207867006 0.12500000000000 0.58428323111517 15.999 > 25 99 O 0.48314207867006 0.62500000000000 0.58428323111517 15.999 > 25 100 O 0.98314207867006 0.62500000000000 0.58428323111517 15.999 > 25 101 O 0.39996240188398 0.37500000000000 0.93981734187601 15.999 > 26 102 O 0.89996240188398 0.37500000000000 0.93981734187601 15.999 > 26 103 O 0.39996240188398 0.87500000000000 0.93981734187601 15.999 > 26 104 O 0.89996240188398 0.87500000000000 0.93981734187601 15.999 > 26 105 O 0.15166027979464 0.26833807275595 0.35125331974902 15.999 > 27 106 O 0.65166027979464 0.26833807275595 0.35125331974902 15.999 > 27 107 O 0.15166027979464 0.76833807275595 0.35125331974902 15.999 > 27 108 O 0.65166027979464 0.76833807275595 0.35125331974902 15.999 > 27 109 O 0.23314207867006 0.12500000000000 0.91571676888483 15.999 > 28 110 O 0.73314207867006 0.12500000000000 0.91571676888483 15.999 > 28 111 O 0.23314207867006 0.62500000000000 0.91571676888483 15.999 > 28 112 O 0.73314207867006 0.62500000000000 0.91571676888483 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7823155 0.0000000 0.0000000 0.0000000 2.7640826 0.0000000 0.0000000 0.0000000 2.7538167 -------------------------- Born effective charges -------------------------- 1 Cs 1.4344657 0.0000000 -0.0057116 0.0000000 1.3536448 0.0000000 0.0349650 0.0000000 1.2729453 2 Cs 1.3717284 0.0000000 -0.0118397 0.0000000 1.4165078 0.0000000 0.0014573 0.0000000 1.4587753 3 Cs 1.3717284 0.0000000 -0.0118397 0.0000000 1.4165078 0.0000000 0.0014573 0.0000000 1.4587753 4 Cs 1.3717284 0.0000000 0.0118397 0.0000000 1.4165078 0.0000000 -0.0014573 0.0000000 1.4587753 5 Cs 1.3717284 0.0000000 0.0118397 0.0000000 1.4165078 0.0000000 -0.0014573 0.0000000 1.4587753 6 Cs 1.4344657 0.0000000 -0.0057116 0.0000000 1.3536448 0.0000000 0.0349650 0.0000000 1.2729453 7 Cs 1.4344657 0.0000000 0.0057116 0.0000000 1.3536448 0.0000000 -0.0349650 0.0000000 1.2729453 8 Cs 1.4344657 0.0000000 0.0057116 0.0000000 1.3536448 0.0000000 -0.0349650 0.0000000 1.2729453 9 Se 2.9563560 0.0000000 0.0210077 0.0000000 3.0907792 0.0000000 -0.0353940 0.0000000 2.9818548 10 Se 2.9563560 0.0000000 0.0210077 0.0000000 3.0907792 0.0000000 -0.0353940 0.0000000 2.9818548 11 Se 2.9563560 0.0000000 -0.0210077 0.0000000 3.0907792 0.0000000 0.0353940 0.0000000 2.9818548 12 Se 2.9563560 0.0000000 -0.0210077 0.0000000 3.0907792 0.0000000 0.0353940 0.0000000 2.9818548 13 O -2.0647365 0.0000000 -0.0307761 0.0000000 -1.0454050 0.0000000 -0.0044603 0.0000000 -1.1002968 14 O -1.2421533 0.2268223 0.1346801 0.2512051 -1.8137551 -0.3808918 0.0908376 -0.3627596 -1.3126299 15 O -1.2421533 -0.2268223 -0.1346801 -0.2512051 -1.8137551 -0.3808918 -0.0908376 -0.3627596 -1.3126299 16 O -1.2135070 0.0000000 -0.2313360 0.0000000 -1.1880164 0.0000000 -0.2244836 0.0000000 -1.9880187 17 O -2.0647365 0.0000000 0.0307761 0.0000000 -1.0454050 0.0000000 0.0044603 0.0000000 -1.1002968 18 O -1.2421533 0.2268223 -0.1346801 0.2512051 -1.8137551 0.3808918 -0.0908376 0.3627596 -1.3126299 19 O -1.2421533 -0.2268223 -0.1346801 -0.2512051 -1.8137551 -0.3808918 -0.0908376 -0.3627596 -1.3126299 20 O -1.2421533 -0.2268223 0.1346801 -0.2512051 -1.8137551 0.3808918 0.0908376 0.3627596 -1.3126299 21 O -1.2135070 0.0000000 -0.2313360 0.0000000 -1.1880164 0.0000000 -0.2244836 0.0000000 -1.9880187 22 O -1.2421533 0.2268223 -0.1346801 0.2512051 -1.8137551 0.3808918 -0.0908376 0.3627596 -1.3126299 23 O -1.2421533 -0.2268223 0.1346801 -0.2512051 -1.8137551 0.3808918 0.0908376 0.3627596 -1.3126299 24 O -1.2135070 0.0000000 0.2313360 0.0000000 -1.1880164 0.0000000 0.2244836 0.0000000 -1.9880187 25 O -2.0647365 0.0000000 0.0307761 0.0000000 -1.0454050 0.0000000 0.0044603 0.0000000 -1.1002968 26 O -1.2135070 0.0000000 0.2313360 0.0000000 -1.1880164 0.0000000 0.2244836 0.0000000 -1.9880187 27 O -1.2421533 0.2268223 0.1346801 0.2512051 -1.8137551 -0.3808918 0.0908376 -0.3627596 -1.3126299 28 O -2.0647365 0.0000000 -0.0307761 0.0000000 -1.0454050 0.0000000 -0.0044603 0.0000000 -1.1002968 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 2.986 Solver_block: 200 / 480 - Time: 3.002 Solver_block: 300 / 480 - Time: 2.996 Solver_block: 400 / 480 - Time: 3.001 Solver_block: 480 / 480 - Time: 2.433 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.467 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:31:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:31:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.347214700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.395674559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): 1 Cs 0.17247069973860 0.75000000000000 0.08955958166076 132.905 2 Cs 0.98970216741336 0.75000000000000 0.70309736290506 132.905 3 Cs 0.01029783258664 0.25000000000000 0.29690263709494 132.905 4 Cs 0.51029783258664 0.25000000000000 0.20309736290506 132.905 5 Cs 0.48970216741336 0.75000000000000 0.79690263709494 132.905 6 Cs 0.82752930026140 0.25000000000000 0.91044041833924 132.905 7 Cs 0.67247069973860 0.75000000000000 0.41044041833924 132.905 8 Cs 0.32752930026140 0.25000000000000 0.58955958166076 132.905 9 Se 0.26692485505208 0.25000000000000 0.91958461947750 78.960 10 Se 0.73307514494793 0.75000000000000 0.08041538052250 78.960 11 Se 0.23307514494793 0.75000000000000 0.41958461947750 78.960 12 Se 0.76692485505207 0.25000000000000 0.58041538052250 78.960 13 O 0.53371584265988 0.75000000000000 0.08428323111517 15.999 14 O 0.69667944041071 0.46332385448811 0.64874668025099 15.999 15 O 0.19667944041071 0.03667614551189 0.85125331974901 15.999 16 O 0.70007519623205 0.25000000000000 0.43981734187601 15.999 17 O 0.03371584265988 0.75000000000000 0.41571676888483 15.999 18 O 0.80332055958929 0.53667614551189 0.14874668025099 15.999 19 O 0.80332055958929 0.96332385448811 0.14874668025099 15.999 20 O 0.30332055958929 0.96332385448811 0.35125331974902 15.999 21 O 0.29992480376795 0.75000000000000 0.56018265812399 15.999 22 O 0.19667944041071 0.46332385448811 0.85125331974901 15.999 23 O 0.69667944041071 0.03667614551189 0.64874668025099 15.999 24 O 0.20007519623205 0.25000000000000 0.06018265812399 15.999 25 O 0.96628415734012 0.25000000000000 0.58428323111517 15.999 26 O 0.79992480376795 0.75000000000000 0.93981734187601 15.999 27 O 0.30332055958929 0.53667614551189 0.35125331974902 15.999 28 O 0.46628415734012 0.25000000000000 0.91571676888483 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.694429400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791349119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): 1 Cs 0.08623534986930 0.37500000000000 0.08955958166076 132.905 > 1 2 Cs 0.58623534986930 0.37500000000000 0.08955958166076 132.905 > 1 3 Cs 0.08623534986930 0.87500000000000 0.08955958166076 132.905 > 1 4 Cs 0.58623534986930 0.87500000000000 0.08955958166076 132.905 > 1 5 Cs 0.49485108370668 0.37500000000000 0.70309736290506 132.905 > 5 6 Cs 0.99485108370668 0.37500000000000 0.70309736290506 132.905 > 5 7 Cs 0.49485108370668 0.87500000000000 0.70309736290506 132.905 > 5 8 Cs 0.99485108370668 0.87500000000000 0.70309736290506 132.905 > 5 9 Cs 0.00514891629332 0.12500000000000 0.29690263709494 132.905 > 9 10 Cs 0.50514891629332 0.12500000000000 0.29690263709494 132.905 > 9 11 Cs 0.00514891629332 0.62500000000000 0.29690263709494 132.905 > 9 12 Cs 0.50514891629332 0.62500000000000 0.29690263709494 132.905 > 9 13 Cs 0.25514891629332 0.12500000000000 0.20309736290506 132.905 > 13 14 Cs 0.75514891629332 0.12500000000000 0.20309736290506 132.905 > 13 15 Cs 0.25514891629332 0.62500000000000 0.20309736290506 132.905 > 13 16 Cs 0.75514891629332 0.62500000000000 0.20309736290506 132.905 > 13 17 Cs 0.24485108370668 0.37500000000000 0.79690263709494 132.905 > 17 18 Cs 0.74485108370668 0.37500000000000 0.79690263709494 132.905 > 17 19 Cs 0.24485108370668 0.87500000000000 0.79690263709494 132.905 > 17 20 Cs 0.74485108370668 0.87500000000000 0.79690263709494 132.905 > 17 21 Cs 0.41376465013070 0.12500000000000 0.91044041833924 132.905 > 21 22 Cs 0.91376465013070 0.12500000000000 0.91044041833924 132.905 > 21 23 Cs 0.41376465013070 0.62500000000000 0.91044041833924 132.905 > 21 24 Cs 0.91376465013070 0.62500000000000 0.91044041833924 132.905 > 21 25 Cs 0.33623534986930 0.37500000000000 0.41044041833924 132.905 > 25 26 Cs 0.83623534986930 0.37500000000000 0.41044041833924 132.905 > 25 27 Cs 0.33623534986930 0.87500000000000 0.41044041833924 132.905 > 25 28 Cs 0.83623534986930 0.87500000000000 0.41044041833924 132.905 > 25 29 Cs 0.16376465013070 0.12500000000000 0.58955958166076 132.905 > 29 30 Cs 0.66376465013070 0.12500000000000 0.58955958166076 132.905 > 29 31 Cs 0.16376465013070 0.62500000000000 0.58955958166076 132.905 > 29 32 Cs 0.66376465013070 0.62500000000000 0.58955958166076 132.905 > 29 33 Se 0.13346242752604 0.12500000000000 0.91958461947750 78.960 > 33 34 Se 0.63346242752604 0.12500000000000 0.91958461947750 78.960 > 33 35 Se 0.13346242752604 0.62500000000000 0.91958461947750 78.960 > 33 36 Se 0.63346242752604 0.62500000000000 0.91958461947750 78.960 > 33 37 Se 0.36653757247396 0.37500000000000 0.08041538052250 78.960 > 37 38 Se 0.86653757247396 0.37500000000000 0.08041538052250 78.960 > 37 39 Se 0.36653757247396 0.87500000000000 0.08041538052250 78.960 > 37 40 Se 0.86653757247396 0.87500000000000 0.08041538052250 78.960 > 37 41 Se 0.11653757247396 0.37500000000000 0.41958461947750 78.960 > 41 42 Se 0.61653757247396 0.37500000000000 0.41958461947750 78.960 > 41 43 Se 0.11653757247396 0.87500000000000 0.41958461947750 78.960 > 41 44 Se 0.61653757247396 0.87500000000000 0.41958461947750 78.960 > 41 45 Se 0.38346242752604 0.12500000000000 0.58041538052250 78.960 > 45 46 Se 0.88346242752604 0.12500000000000 0.58041538052250 78.960 > 45 47 Se 0.38346242752604 0.62500000000000 0.58041538052250 78.960 > 45 48 Se 0.88346242752604 0.62500000000000 0.58041538052250 78.960 > 45 49 O 0.26685792132994 0.37500000000000 0.08428323111517 15.999 > 49 50 O 0.76685792132994 0.37500000000000 0.08428323111517 15.999 > 49 51 O 0.26685792132994 0.87500000000000 0.08428323111517 15.999 > 49 52 O 0.76685792132994 0.87500000000000 0.08428323111517 15.999 > 49 53 O 0.34833972020536 0.23166192724405 0.64874668025099 15.999 > 53 54 O 0.84833972020536 0.23166192724405 0.64874668025099 15.999 > 53 55 O 0.34833972020536 0.73166192724405 0.64874668025099 15.999 > 53 56 O 0.84833972020536 0.73166192724405 0.64874668025099 15.999 > 53 57 O 0.09833972020536 0.01833807275595 0.85125331974901 15.999 > 57 58 O 0.59833972020536 0.01833807275595 0.85125331974901 15.999 > 57 59 O 0.09833972020536 0.51833807275595 0.85125331974901 15.999 > 57 60 O 0.59833972020536 0.51833807275595 0.85125331974901 15.999 > 57 61 O 0.35003759811602 0.12500000000000 0.43981734187601 15.999 > 61 62 O 0.85003759811602 0.12500000000000 0.43981734187601 15.999 > 61 63 O 0.35003759811602 0.62500000000000 0.43981734187601 15.999 > 61 64 O 0.85003759811602 0.62500000000000 0.43981734187601 15.999 > 61 65 O 0.01685792132994 0.37500000000000 0.41571676888483 15.999 > 65 66 O 0.51685792132994 0.37500000000000 0.41571676888483 15.999 > 65 67 O 0.01685792132994 0.87500000000000 0.41571676888483 15.999 > 65 68 O 0.51685792132994 0.87500000000000 0.41571676888483 15.999 > 65 69 O 0.40166027979464 0.26833807275595 0.14874668025099 15.999 > 69 70 O 0.90166027979464 0.26833807275595 0.14874668025099 15.999 > 69 71 O 0.40166027979464 0.76833807275595 0.14874668025099 15.999 > 69 72 O 0.90166027979464 0.76833807275595 0.14874668025099 15.999 > 69 73 O 0.40166027979464 0.48166192724405 0.14874668025099 15.999 > 73 74 O 0.90166027979464 0.48166192724405 0.14874668025099 15.999 > 73 75 O 0.40166027979464 0.98166192724405 0.14874668025099 15.999 > 73 76 O 0.90166027979464 0.98166192724405 0.14874668025099 15.999 > 73 77 O 0.15166027979464 0.48166192724405 0.35125331974902 15.999 > 77 78 O 0.65166027979464 0.48166192724405 0.35125331974902 15.999 > 77 79 O 0.15166027979464 0.98166192724405 0.35125331974902 15.999 > 77 80 O 0.65166027979464 0.98166192724405 0.35125331974902 15.999 > 77 81 O 0.14996240188398 0.37500000000000 0.56018265812399 15.999 > 81 82 O 0.64996240188398 0.37500000000000 0.56018265812399 15.999 > 81 83 O 0.14996240188398 0.87500000000000 0.56018265812399 15.999 > 81 84 O 0.64996240188398 0.87500000000000 0.56018265812399 15.999 > 81 85 O 0.09833972020536 0.23166192724405 0.85125331974901 15.999 > 85 86 O 0.59833972020536 0.23166192724405 0.85125331974901 15.999 > 85 87 O 0.09833972020536 0.73166192724405 0.85125331974901 15.999 > 85 88 O 0.59833972020536 0.73166192724405 0.85125331974901 15.999 > 85 89 O 0.34833972020536 0.01833807275595 0.64874668025099 15.999 > 89 90 O 0.84833972020536 0.01833807275595 0.64874668025099 15.999 > 89 91 O 0.34833972020536 0.51833807275595 0.64874668025099 15.999 > 89 92 O 0.84833972020536 0.51833807275595 0.64874668025099 15.999 > 89 93 O 0.10003759811602 0.12500000000000 0.06018265812399 15.999 > 93 94 O 0.60003759811602 0.12500000000000 0.06018265812399 15.999 > 93 95 O 0.10003759811602 0.62500000000000 0.06018265812399 15.999 > 93 96 O 0.60003759811602 0.62500000000000 0.06018265812399 15.999 > 93 97 O 0.48314207867006 0.12500000000000 0.58428323111517 15.999 > 97 98 O 0.98314207867006 0.12500000000000 0.58428323111517 15.999 > 97 99 O 0.48314207867006 0.62500000000000 0.58428323111517 15.999 > 97 100 O 0.98314207867006 0.62500000000000 0.58428323111517 15.999 > 97 101 O 0.39996240188398 0.37500000000000 0.93981734187601 15.999 > 101 102 O 0.89996240188398 0.37500000000000 0.93981734187601 15.999 > 101 103 O 0.39996240188398 0.87500000000000 0.93981734187601 15.999 > 101 104 O 0.89996240188398 0.87500000000000 0.93981734187601 15.999 > 101 105 O 0.15166027979464 0.26833807275595 0.35125331974902 15.999 > 105 106 O 0.65166027979464 0.26833807275595 0.35125331974902 15.999 > 105 107 O 0.15166027979464 0.76833807275595 0.35125331974902 15.999 > 105 108 O 0.65166027979464 0.76833807275595 0.35125331974902 15.999 > 105 109 O 0.23314207867006 0.12500000000000 0.91571676888483 15.999 > 109 110 O 0.73314207867006 0.12500000000000 0.91571676888483 15.999 > 109 111 O 0.23314207867006 0.62500000000000 0.91571676888483 15.999 > 109 112 O 0.73314207867006 0.62500000000000 0.91571676888483 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7823155 0.0000000 0.0000000 0.0000000 2.7640826 0.0000000 0.0000000 0.0000000 2.7538167 -------------------------- Born effective charges -------------------------- 1 Cs 1.4344657 0.0000000 -0.0057116 0.0000000 1.3536448 0.0000000 0.0349650 0.0000000 1.2729453 2 Cs 1.3717284 0.0000000 -0.0118397 0.0000000 1.4165078 0.0000000 0.0014573 0.0000000 1.4587753 3 Cs 1.3717284 0.0000000 -0.0118397 0.0000000 1.4165078 0.0000000 0.0014573 0.0000000 1.4587753 4 Cs 1.3717284 0.0000000 0.0118397 0.0000000 1.4165078 0.0000000 -0.0014573 0.0000000 1.4587753 5 Cs 1.3717284 0.0000000 0.0118397 0.0000000 1.4165078 0.0000000 -0.0014573 0.0000000 1.4587753 6 Cs 1.4344657 0.0000000 -0.0057116 0.0000000 1.3536448 0.0000000 0.0349650 0.0000000 1.2729453 7 Cs 1.4344657 0.0000000 0.0057116 0.0000000 1.3536448 0.0000000 -0.0349650 0.0000000 1.2729453 8 Cs 1.4344657 0.0000000 0.0057116 0.0000000 1.3536448 0.0000000 -0.0349650 0.0000000 1.2729453 9 Se 2.9563560 0.0000000 0.0210077 0.0000000 3.0907792 0.0000000 -0.0353940 0.0000000 2.9818548 10 Se 2.9563560 0.0000000 0.0210077 0.0000000 3.0907792 0.0000000 -0.0353940 0.0000000 2.9818548 11 Se 2.9563560 0.0000000 -0.0210077 0.0000000 3.0907792 0.0000000 0.0353940 0.0000000 2.9818548 12 Se 2.9563560 0.0000000 -0.0210077 0.0000000 3.0907792 0.0000000 0.0353940 0.0000000 2.9818548 13 O -2.0647365 0.0000000 -0.0307761 0.0000000 -1.0454050 0.0000000 -0.0044603 0.0000000 -1.1002968 14 O -1.2421533 0.2268223 0.1346801 0.2512051 -1.8137551 -0.3808918 0.0908376 -0.3627596 -1.3126299 15 O -1.2421533 -0.2268223 -0.1346801 -0.2512051 -1.8137551 -0.3808918 -0.0908376 -0.3627596 -1.3126299 16 O -1.2135070 0.0000000 -0.2313360 0.0000000 -1.1880164 0.0000000 -0.2244836 0.0000000 -1.9880187 17 O -2.0647365 0.0000000 0.0307761 0.0000000 -1.0454050 0.0000000 0.0044603 0.0000000 -1.1002968 18 O -1.2421533 0.2268223 -0.1346801 0.2512051 -1.8137551 0.3808918 -0.0908376 0.3627596 -1.3126299 19 O -1.2421533 -0.2268223 -0.1346801 -0.2512051 -1.8137551 -0.3808918 -0.0908376 -0.3627596 -1.3126299 20 O -1.2421533 -0.2268223 0.1346801 -0.2512051 -1.8137551 0.3808918 0.0908376 0.3627596 -1.3126299 21 O -1.2135070 0.0000000 -0.2313360 0.0000000 -1.1880164 0.0000000 -0.2244836 0.0000000 -1.9880187 22 O -1.2421533 0.2268223 -0.1346801 0.2512051 -1.8137551 0.3808918 -0.0908376 0.3627596 -1.3126299 23 O -1.2421533 -0.2268223 0.1346801 -0.2512051 -1.8137551 0.3808918 0.0908376 0.3627596 -1.3126299 24 O -1.2135070 0.0000000 0.2313360 0.0000000 -1.1880164 0.0000000 0.2244836 0.0000000 -1.9880187 25 O -2.0647365 0.0000000 0.0307761 0.0000000 -1.0454050 0.0000000 0.0044603 0.0000000 -1.1002968 26 O -1.2135070 0.0000000 0.2313360 0.0000000 -1.1880164 0.0000000 0.2244836 0.0000000 -1.9880187 27 O -1.2421533 0.2268223 0.1346801 0.2512051 -1.8137551 -0.3808918 0.0908376 -0.3627596 -1.3126299 28 O -2.0647365 0.0000000 -0.0307761 0.0000000 -1.0454050 0.0000000 -0.0044603 0.0000000 -1.1002968 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yxy) -0.00000003 (yxy) -0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:32:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:32:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.347214700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.395674559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): 1 Cs 0.17247069973860 0.75000000000000 0.08955958166076 132.905 2 Cs 0.98970216741336 0.75000000000000 0.70309736290506 132.905 3 Cs 0.01029783258664 0.25000000000000 0.29690263709494 132.905 4 Cs 0.51029783258664 0.25000000000000 0.20309736290506 132.905 5 Cs 0.48970216741336 0.75000000000000 0.79690263709494 132.905 6 Cs 0.82752930026140 0.25000000000000 0.91044041833924 132.905 7 Cs 0.67247069973860 0.75000000000000 0.41044041833924 132.905 8 Cs 0.32752930026140 0.25000000000000 0.58955958166076 132.905 9 Se 0.26692485505208 0.25000000000000 0.91958461947750 78.960 10 Se 0.73307514494793 0.75000000000000 0.08041538052250 78.960 11 Se 0.23307514494793 0.75000000000000 0.41958461947750 78.960 12 Se 0.76692485505207 0.25000000000000 0.58041538052250 78.960 13 O 0.53371584265988 0.75000000000000 0.08428323111517 15.999 14 O 0.69667944041071 0.46332385448811 0.64874668025099 15.999 15 O 0.19667944041071 0.03667614551189 0.85125331974901 15.999 16 O 0.70007519623205 0.25000000000000 0.43981734187601 15.999 17 O 0.03371584265988 0.75000000000000 0.41571676888483 15.999 18 O 0.80332055958929 0.53667614551189 0.14874668025099 15.999 19 O 0.80332055958929 0.96332385448811 0.14874668025099 15.999 20 O 0.30332055958929 0.96332385448811 0.35125331974902 15.999 21 O 0.29992480376795 0.75000000000000 0.56018265812399 15.999 22 O 0.19667944041071 0.46332385448811 0.85125331974901 15.999 23 O 0.69667944041071 0.03667614551189 0.64874668025099 15.999 24 O 0.20007519623205 0.25000000000000 0.06018265812399 15.999 25 O 0.96628415734012 0.25000000000000 0.58428323111517 15.999 26 O 0.79992480376795 0.75000000000000 0.93981734187601 15.999 27 O 0.30332055958929 0.53667614551189 0.35125331974902 15.999 28 O 0.46628415734012 0.25000000000000 0.91571676888483 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.694429400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.791349119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.230622950000001 Atomic positions (fractional): 1 Cs 0.08623534986930 0.37500000000000 0.08955958166076 132.905 > 1 2 Cs 0.58623534986930 0.37500000000000 0.08955958166076 132.905 > 1 3 Cs 0.08623534986930 0.87500000000000 0.08955958166076 132.905 > 1 4 Cs 0.58623534986930 0.87500000000000 0.08955958166076 132.905 > 1 5 Cs 0.49485108370668 0.37500000000000 0.70309736290506 132.905 > 5 6 Cs 0.99485108370668 0.37500000000000 0.70309736290506 132.905 > 5 7 Cs 0.49485108370668 0.87500000000000 0.70309736290506 132.905 > 5 8 Cs 0.99485108370668 0.87500000000000 0.70309736290506 132.905 > 5 9 Cs 0.00514891629332 0.12500000000000 0.29690263709494 132.905 > 9 10 Cs 0.50514891629332 0.12500000000000 0.29690263709494 132.905 > 9 11 Cs 0.00514891629332 0.62500000000000 0.29690263709494 132.905 > 9 12 Cs 0.50514891629332 0.62500000000000 0.29690263709494 132.905 > 9 13 Cs 0.25514891629332 0.12500000000000 0.20309736290506 132.905 > 13 14 Cs 0.75514891629332 0.12500000000000 0.20309736290506 132.905 > 13 15 Cs 0.25514891629332 0.62500000000000 0.20309736290506 132.905 > 13 16 Cs 0.75514891629332 0.62500000000000 0.20309736290506 132.905 > 13 17 Cs 0.24485108370668 0.37500000000000 0.79690263709494 132.905 > 17 18 Cs 0.74485108370668 0.37500000000000 0.79690263709494 132.905 > 17 19 Cs 0.24485108370668 0.87500000000000 0.79690263709494 132.905 > 17 20 Cs 0.74485108370668 0.87500000000000 0.79690263709494 132.905 > 17 21 Cs 0.41376465013070 0.12500000000000 0.91044041833924 132.905 > 21 22 Cs 0.91376465013070 0.12500000000000 0.91044041833924 132.905 > 21 23 Cs 0.41376465013070 0.62500000000000 0.91044041833924 132.905 > 21 24 Cs 0.91376465013070 0.62500000000000 0.91044041833924 132.905 > 21 25 Cs 0.33623534986930 0.37500000000000 0.41044041833924 132.905 > 25 26 Cs 0.83623534986930 0.37500000000000 0.41044041833924 132.905 > 25 27 Cs 0.33623534986930 0.87500000000000 0.41044041833924 132.905 > 25 28 Cs 0.83623534986930 0.87500000000000 0.41044041833924 132.905 > 25 29 Cs 0.16376465013070 0.12500000000000 0.58955958166076 132.905 > 29 30 Cs 0.66376465013070 0.12500000000000 0.58955958166076 132.905 > 29 31 Cs 0.16376465013070 0.62500000000000 0.58955958166076 132.905 > 29 32 Cs 0.66376465013070 0.62500000000000 0.58955958166076 132.905 > 29 33 Se 0.13346242752604 0.12500000000000 0.91958461947750 78.960 > 33 34 Se 0.63346242752604 0.12500000000000 0.91958461947750 78.960 > 33 35 Se 0.13346242752604 0.62500000000000 0.91958461947750 78.960 > 33 36 Se 0.63346242752604 0.62500000000000 0.91958461947750 78.960 > 33 37 Se 0.36653757247396 0.37500000000000 0.08041538052250 78.960 > 37 38 Se 0.86653757247396 0.37500000000000 0.08041538052250 78.960 > 37 39 Se 0.36653757247396 0.87500000000000 0.08041538052250 78.960 > 37 40 Se 0.86653757247396 0.87500000000000 0.08041538052250 78.960 > 37 41 Se 0.11653757247396 0.37500000000000 0.41958461947750 78.960 > 41 42 Se 0.61653757247396 0.37500000000000 0.41958461947750 78.960 > 41 43 Se 0.11653757247396 0.87500000000000 0.41958461947750 78.960 > 41 44 Se 0.61653757247396 0.87500000000000 0.41958461947750 78.960 > 41 45 Se 0.38346242752604 0.12500000000000 0.58041538052250 78.960 > 45 46 Se 0.88346242752604 0.12500000000000 0.58041538052250 78.960 > 45 47 Se 0.38346242752604 0.62500000000000 0.58041538052250 78.960 > 45 48 Se 0.88346242752604 0.62500000000000 0.58041538052250 78.960 > 45 49 O 0.26685792132994 0.37500000000000 0.08428323111517 15.999 > 49 50 O 0.76685792132994 0.37500000000000 0.08428323111517 15.999 > 49 51 O 0.26685792132994 0.87500000000000 0.08428323111517 15.999 > 49 52 O 0.76685792132994 0.87500000000000 0.08428323111517 15.999 > 49 53 O 0.34833972020536 0.23166192724405 0.64874668025099 15.999 > 53 54 O 0.84833972020536 0.23166192724405 0.64874668025099 15.999 > 53 55 O 0.34833972020536 0.73166192724405 0.64874668025099 15.999 > 53 56 O 0.84833972020536 0.73166192724405 0.64874668025099 15.999 > 53 57 O 0.09833972020536 0.01833807275595 0.85125331974901 15.999 > 57 58 O 0.59833972020536 0.01833807275595 0.85125331974901 15.999 > 57 59 O 0.09833972020536 0.51833807275595 0.85125331974901 15.999 > 57 60 O 0.59833972020536 0.51833807275595 0.85125331974901 15.999 > 57 61 O 0.35003759811602 0.12500000000000 0.43981734187601 15.999 > 61 62 O 0.85003759811602 0.12500000000000 0.43981734187601 15.999 > 61 63 O 0.35003759811602 0.62500000000000 0.43981734187601 15.999 > 61 64 O 0.85003759811602 0.62500000000000 0.43981734187601 15.999 > 61 65 O 0.01685792132994 0.37500000000000 0.41571676888483 15.999 > 65 66 O 0.51685792132994 0.37500000000000 0.41571676888483 15.999 > 65 67 O 0.01685792132994 0.87500000000000 0.41571676888483 15.999 > 65 68 O 0.51685792132994 0.87500000000000 0.41571676888483 15.999 > 65 69 O 0.40166027979464 0.26833807275595 0.14874668025099 15.999 > 69 70 O 0.90166027979464 0.26833807275595 0.14874668025099 15.999 > 69 71 O 0.40166027979464 0.76833807275595 0.14874668025099 15.999 > 69 72 O 0.90166027979464 0.76833807275595 0.14874668025099 15.999 > 69 73 O 0.40166027979464 0.48166192724405 0.14874668025099 15.999 > 73 74 O 0.90166027979464 0.48166192724405 0.14874668025099 15.999 > 73 75 O 0.40166027979464 0.98166192724405 0.14874668025099 15.999 > 73 76 O 0.90166027979464 0.98166192724405 0.14874668025099 15.999 > 73 77 O 0.15166027979464 0.48166192724405 0.35125331974902 15.999 > 77 78 O 0.65166027979464 0.48166192724405 0.35125331974902 15.999 > 77 79 O 0.15166027979464 0.98166192724405 0.35125331974902 15.999 > 77 80 O 0.65166027979464 0.98166192724405 0.35125331974902 15.999 > 77 81 O 0.14996240188398 0.37500000000000 0.56018265812399 15.999 > 81 82 O 0.64996240188398 0.37500000000000 0.56018265812399 15.999 > 81 83 O 0.14996240188398 0.87500000000000 0.56018265812399 15.999 > 81 84 O 0.64996240188398 0.87500000000000 0.56018265812399 15.999 > 81 85 O 0.09833972020536 0.23166192724405 0.85125331974901 15.999 > 85 86 O 0.59833972020536 0.23166192724405 0.85125331974901 15.999 > 85 87 O 0.09833972020536 0.73166192724405 0.85125331974901 15.999 > 85 88 O 0.59833972020536 0.73166192724405 0.85125331974901 15.999 > 85 89 O 0.34833972020536 0.01833807275595 0.64874668025099 15.999 > 89 90 O 0.84833972020536 0.01833807275595 0.64874668025099 15.999 > 89 91 O 0.34833972020536 0.51833807275595 0.64874668025099 15.999 > 89 92 O 0.84833972020536 0.51833807275595 0.64874668025099 15.999 > 89 93 O 0.10003759811602 0.12500000000000 0.06018265812399 15.999 > 93 94 O 0.60003759811602 0.12500000000000 0.06018265812399 15.999 > 93 95 O 0.10003759811602 0.62500000000000 0.06018265812399 15.999 > 93 96 O 0.60003759811602 0.62500000000000 0.06018265812399 15.999 > 93 97 O 0.48314207867006 0.12500000000000 0.58428323111517 15.999 > 97 98 O 0.98314207867006 0.12500000000000 0.58428323111517 15.999 > 97 99 O 0.48314207867006 0.62500000000000 0.58428323111517 15.999 > 97 100 O 0.98314207867006 0.62500000000000 0.58428323111517 15.999 > 97 101 O 0.39996240188398 0.37500000000000 0.93981734187601 15.999 > 101 102 O 0.89996240188398 0.37500000000000 0.93981734187601 15.999 > 101 103 O 0.39996240188398 0.87500000000000 0.93981734187601 15.999 > 101 104 O 0.89996240188398 0.87500000000000 0.93981734187601 15.999 > 101 105 O 0.15166027979464 0.26833807275595 0.35125331974902 15.999 > 105 106 O 0.65166027979464 0.26833807275595 0.35125331974902 15.999 > 105 107 O 0.15166027979464 0.76833807275595 0.35125331974902 15.999 > 105 108 O 0.65166027979464 0.76833807275595 0.35125331974902 15.999 > 105 109 O 0.23314207867006 0.12500000000000 0.91571676888483 15.999 > 109 110 O 0.73314207867006 0.12500000000000 0.91571676888483 15.999 > 109 111 O 0.23314207867006 0.62500000000000 0.91571676888483 15.999 > 109 112 O 0.73314207867006 0.62500000000000 0.91571676888483 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7823155 0.0000000 0.0000000 0.0000000 2.7640826 0.0000000 0.0000000 0.0000000 2.7538167 -------------------------- Born effective charges -------------------------- 1 Cs 1.4344657 0.0000000 -0.0057116 0.0000000 1.3536448 0.0000000 0.0349650 0.0000000 1.2729453 2 Cs 1.3717284 0.0000000 -0.0118397 0.0000000 1.4165078 0.0000000 0.0014573 0.0000000 1.4587753 3 Cs 1.3717284 0.0000000 -0.0118397 0.0000000 1.4165078 0.0000000 0.0014573 0.0000000 1.4587753 4 Cs 1.3717284 0.0000000 0.0118397 0.0000000 1.4165078 0.0000000 -0.0014573 0.0000000 1.4587753 5 Cs 1.3717284 0.0000000 0.0118397 0.0000000 1.4165078 0.0000000 -0.0014573 0.0000000 1.4587753 6 Cs 1.4344657 0.0000000 -0.0057116 0.0000000 1.3536448 0.0000000 0.0349650 0.0000000 1.2729453 7 Cs 1.4344657 0.0000000 0.0057116 0.0000000 1.3536448 0.0000000 -0.0349650 0.0000000 1.2729453 8 Cs 1.4344657 0.0000000 0.0057116 0.0000000 1.3536448 0.0000000 -0.0349650 0.0000000 1.2729453 9 Se 2.9563560 0.0000000 0.0210077 0.0000000 3.0907792 0.0000000 -0.0353940 0.0000000 2.9818548 10 Se 2.9563560 0.0000000 0.0210077 0.0000000 3.0907792 0.0000000 -0.0353940 0.0000000 2.9818548 11 Se 2.9563560 0.0000000 -0.0210077 0.0000000 3.0907792 0.0000000 0.0353940 0.0000000 2.9818548 12 Se 2.9563560 0.0000000 -0.0210077 0.0000000 3.0907792 0.0000000 0.0353940 0.0000000 2.9818548 13 O -2.0647365 0.0000000 -0.0307761 0.0000000 -1.0454050 0.0000000 -0.0044603 0.0000000 -1.1002968 14 O -1.2421533 0.2268223 0.1346801 0.2512051 -1.8137551 -0.3808918 0.0908376 -0.3627596 -1.3126299 15 O -1.2421533 -0.2268223 -0.1346801 -0.2512051 -1.8137551 -0.3808918 -0.0908376 -0.3627596 -1.3126299 16 O -1.2135070 0.0000000 -0.2313360 0.0000000 -1.1880164 0.0000000 -0.2244836 0.0000000 -1.9880187 17 O -2.0647365 0.0000000 0.0307761 0.0000000 -1.0454050 0.0000000 0.0044603 0.0000000 -1.1002968 18 O -1.2421533 0.2268223 -0.1346801 0.2512051 -1.8137551 0.3808918 -0.0908376 0.3627596 -1.3126299 19 O -1.2421533 -0.2268223 -0.1346801 -0.2512051 -1.8137551 -0.3808918 -0.0908376 -0.3627596 -1.3126299 20 O -1.2421533 -0.2268223 0.1346801 -0.2512051 -1.8137551 0.3808918 0.0908376 0.3627596 -1.3126299 21 O -1.2135070 0.0000000 -0.2313360 0.0000000 -1.1880164 0.0000000 -0.2244836 0.0000000 -1.9880187 22 O -1.2421533 0.2268223 -0.1346801 0.2512051 -1.8137551 0.3808918 -0.0908376 0.3627596 -1.3126299 23 O -1.2421533 -0.2268223 0.1346801 -0.2512051 -1.8137551 0.3808918 0.0908376 0.3627596 -1.3126299 24 O -1.2135070 0.0000000 0.2313360 0.0000000 -1.1880164 0.0000000 0.2244836 0.0000000 -1.9880187 25 O -2.0647365 0.0000000 0.0307761 0.0000000 -1.0454050 0.0000000 0.0044603 0.0000000 -1.1002968 26 O -1.2135070 0.0000000 0.2313360 0.0000000 -1.1880164 0.0000000 0.2244836 0.0000000 -1.9880187 27 O -1.2421533 0.2268223 0.1346801 0.2512051 -1.8137551 -0.3808918 0.0908376 -0.3627596 -1.3126299 28 O -2.0647365 0.0000000 -0.0307761 0.0000000 -1.0454050 0.0000000 -0.0044603 0.0000000 -1.1002968 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yxy) -0.00000003 (yxy) -0.00000003 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 8 4 ] 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: 0.49, Number of G-points: 313, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.884 ( 0.000 0.000 0.000) 0.000 0.897 ( 0.000 0.000 0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.151 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.388 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.252 ( 0.000 0.000 0.000) 0.000 11.380 ( 0.000 0.000 0.000) 0.000 11.389 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.668 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 23.952 ( 0.000 0.000 0.000) 0.000 23.960 ( 0.000 0.000 0.000) 0.000 23.964 ( 0.000 0.000 0.000) 0.000 23.973 ( 0.000 0.000 0.000) 0.000 24.377 ( 0.000 0.000 0.000) 0.000 24.499 ( 0.000 0.000 0.000) 0.000 24.560 ( 0.000 0.000 0.000) 0.000 24.566 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 24.606 ( 0.000 0.000 0.000) 0.000 24.910 ( 0.000 0.000 0.000) 0.000 25.132 ( 0.000 0.000 0.000) 0.000 25.136 ( 0.000 0.000 0.000) 0.000 25.443 ( 0.000 0.000 0.000) 0.000 25.466 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 14.155 0.000 0.000) 14.155 0.299 ( 14.763 0.000 0.000) 14.763 0.591 ( 28.872 0.000 0.000) 28.872 0.895 ( 0.612 0.000 0.000) 0.612 0.939 ( 3.063 0.000 0.000) 3.063 1.174 ( 2.282 0.000 0.000) 2.282 1.180 ( -0.108 0.000 0.000) 0.108 1.186 ( 4.174 0.000 0.000) 4.174 1.342 ( -3.578 0.000 0.000) 3.578 1.394 ( 0.287 0.000 0.000) 0.287 1.417 ( -3.900 0.000 0.000) 3.900 1.430 ( -1.332 0.000 0.000) 1.332 1.449 ( -0.352 0.000 0.000) 0.352 1.517 ( 1.588 0.000 0.000) 1.588 1.538 ( 3.556 0.000 0.000) 3.556 1.624 ( 4.066 0.000 0.000) 4.066 1.651 ( -0.872 0.000 0.000) 0.872 1.659 ( 2.534 0.000 0.000) 2.534 1.732 ( 0.470 0.000 0.000) 0.470 1.811 ( 1.484 0.000 0.000) 1.484 1.869 ( -3.229 0.000 0.000) 3.229 1.882 ( 0.394 0.000 0.000) 0.394 1.909 ( 6.275 0.000 0.000) 6.275 1.988 ( -2.505 0.000 0.000) 2.505 2.162 ( 3.526 0.000 0.000) 3.526 2.194 ( 2.156 0.000 0.000) 2.156 2.243 ( -5.045 0.000 0.000) 5.045 2.256 ( 0.928 0.000 0.000) 0.928 2.288 ( -3.813 0.000 0.000) 3.813 2.409 ( -0.255 0.000 0.000) 0.255 2.502 ( -2.611 0.000 0.000) 2.611 2.507 ( -0.465 0.000 0.000) 0.465 2.516 ( -2.008 0.000 0.000) 2.008 2.520 ( -8.255 0.000 0.000) 8.255 2.581 ( 4.876 0.000 0.000) 4.876 2.632 ( 3.028 0.000 0.000) 3.028 2.752 ( 0.124 0.000 0.000) 0.124 2.789 ( 2.854 0.000 0.000) 2.854 2.819 ( -0.410 0.000 0.000) 0.410 2.841 ( -0.584 0.000 0.000) 0.584 2.885 ( -1.654 0.000 0.000) 1.654 2.958 ( 1.502 0.000 0.000) 1.502 2.973 ( -3.399 0.000 0.000) 3.399 3.060 ( -0.662 0.000 0.000) 0.662 3.108 ( 3.648 0.000 0.000) 3.648 3.189 ( 1.184 0.000 0.000) 1.184 3.260 ( 2.557 0.000 0.000) 2.557 3.876 ( -5.266 0.000 0.000) 5.266 8.969 ( 1.131 0.000 0.000) 1.131 9.096 ( 0.927 0.000 0.000) 0.927 9.105 ( -1.690 0.000 0.000) 1.690 9.109 ( 0.814 0.000 0.000) 0.814 9.109 ( 1.875 0.000 0.000) 1.875 9.219 ( -0.849 0.000 0.000) 0.849 9.220 ( -0.965 0.000 0.000) 0.965 9.286 ( 0.019 0.000 0.000) 0.019 11.126 ( 0.641 0.000 0.000) 0.641 11.226 ( -0.615 0.000 0.000) 0.615 11.258 ( 0.683 0.000 0.000) 0.683 11.260 ( 0.780 0.000 0.000) 0.780 11.316 ( -4.616 0.000 0.000) 4.616 11.382 ( -0.663 0.000 0.000) 0.663 11.390 ( -0.664 0.000 0.000) 0.664 11.526 ( -7.302 0.000 0.000) 7.302 11.625 ( 6.690 0.000 0.000) 6.690 11.771 ( 4.407 0.000 0.000) 4.407 11.987 ( -0.382 0.000 0.000) 0.382 12.054 ( -1.284 0.000 0.000) 1.284 23.953 ( 0.069 0.000 0.000) 0.069 23.959 ( -0.020 0.000 0.000) 0.020 23.975 ( 0.101 0.000 0.000) 0.101 23.976 ( 0.078 0.000 0.000) 0.078 24.382 ( 0.518 0.000 0.000) 0.518 24.479 ( -1.462 0.000 0.000) 1.462 24.568 ( 0.198 0.000 0.000) 0.198 24.578 ( 0.120 0.000 0.000) 0.120 24.579 ( -0.033 0.000 0.000) 0.033 24.594 ( 3.119 0.000 0.000) 3.119 24.604 ( -0.204 0.000 0.000) 0.204 25.097 ( -3.727 0.000 0.000) 3.727 25.199 ( 5.413 0.000 0.000) 5.413 25.434 ( -1.446 0.000 0.000) 1.446 25.472 ( 3.078 0.000 0.000) 3.078 25.896 ( -2.085 0.000 0.000) 2.085 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 12.259 0.000 0.000) 12.259 0.583 ( 13.426 0.000 0.000) 13.426 0.880 ( -2.804 0.000 0.000) 2.804 0.955 ( -2.429 0.000 0.000) 2.429 1.141 ( 25.447 0.000 0.000) 25.447 1.180 ( 0.227 0.000 0.000) 0.227 1.240 ( 4.045 0.000 0.000) 4.045 1.259 ( -4.140 0.000 0.000) 4.140 1.274 ( 3.574 0.000 0.000) 3.574 1.337 ( -2.984 0.000 0.000) 2.984 1.389 ( -2.726 0.000 0.000) 2.726 1.399 ( 0.562 0.000 0.000) 0.562 1.441 ( -0.479 0.000 0.000) 0.479 1.555 ( 2.103 0.000 0.000) 2.103 1.610 ( 3.532 0.000 0.000) 3.532 1.628 ( -1.364 0.000 0.000) 1.364 1.689 ( 0.872 0.000 0.000) 0.872 1.735 ( 3.534 0.000 0.000) 3.534 1.756 ( 1.564 0.000 0.000) 1.564 1.805 ( -2.448 0.000 0.000) 2.448 1.837 ( 1.171 0.000 0.000) 1.171 1.894 ( 0.772 0.000 0.000) 0.772 1.944 ( -1.856 0.000 0.000) 1.856 2.015 ( -13.666 0.000 0.000) 13.666 2.079 ( 9.995 0.000 0.000) 9.995 2.229 ( 2.905 0.000 0.000) 2.905 2.232 ( 0.401 0.000 0.000) 0.401 2.274 ( 0.567 0.000 0.000) 0.567 2.301 ( 1.901 0.000 0.000) 1.901 2.351 ( -5.671 0.000 0.000) 5.671 2.419 ( -1.105 0.000 0.000) 1.105 2.457 ( -2.300 0.000 0.000) 2.300 2.486 ( -0.920 0.000 0.000) 0.920 2.494 ( -0.789 0.000 0.000) 0.789 2.655 ( 3.204 0.000 0.000) 3.204 2.692 ( 2.834 0.000 0.000) 2.834 2.755 ( -0.040 0.000 0.000) 0.040 2.794 ( -1.835 0.000 0.000) 1.835 2.809 ( -0.051 0.000 0.000) 0.051 2.826 ( -0.685 0.000 0.000) 0.685 2.852 ( -1.630 0.000 0.000) 1.630 2.900 ( -3.774 0.000 0.000) 3.774 2.988 ( 1.492 0.000 0.000) 1.492 3.042 ( -1.120 0.000 0.000) 1.120 3.178 ( 2.564 0.000 0.000) 2.564 3.207 ( 0.517 0.000 0.000) 0.517 3.355 ( 7.196 0.000 0.000) 7.196 3.729 ( -9.080 0.000 0.000) 9.080 8.996 ( 1.466 0.000 0.000) 1.466 9.066 ( -2.039 0.000 0.000) 2.039 9.122 ( 1.601 0.000 0.000) 1.601 9.132 ( 1.413 0.000 0.000) 1.413 9.162 ( 3.212 0.000 0.000) 3.212 9.193 ( -1.637 0.000 0.000) 1.637 9.196 ( -1.451 0.000 0.000) 1.451 9.273 ( -1.474 0.000 0.000) 1.474 11.148 ( 1.536 0.000 0.000) 1.536 11.209 ( -1.108 0.000 0.000) 1.108 11.257 ( -1.056 0.000 0.000) 1.056 11.276 ( 0.988 0.000 0.000) 0.988 11.279 ( 0.996 0.000 0.000) 0.996 11.366 ( -0.849 0.000 0.000) 0.849 11.373 ( -0.999 0.000 0.000) 0.999 11.384 ( -6.552 0.000 0.000) 6.552 11.754 ( 5.810 0.000 0.000) 5.810 11.838 ( 2.119 0.000 0.000) 2.119 11.977 ( -0.523 0.000 0.000) 0.523 12.016 ( -2.425 0.000 0.000) 2.425 23.956 ( 0.179 0.000 0.000) 0.179 23.959 ( 0.009 0.000 0.000) 0.009 23.976 ( 0.026 0.000 0.000) 0.026 23.977 ( 0.006 0.000 0.000) 0.006 24.397 ( 0.985 0.000 0.000) 0.985 24.449 ( -1.510 0.000 0.000) 1.510 24.572 ( 0.218 0.000 0.000) 0.218 24.578 ( -0.075 0.000 0.000) 0.075 24.582 ( 0.304 0.000 0.000) 0.304 24.598 ( -0.367 0.000 0.000) 0.367 24.684 ( 5.905 0.000 0.000) 5.905 24.983 ( -7.361 0.000 0.000) 7.361 25.308 ( 4.634 0.000 0.000) 4.634 25.406 ( -1.290 0.000 0.000) 1.290 25.570 ( 6.601 0.000 0.000) 6.601 25.830 ( -4.605 0.000 0.000) 4.605 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -8.432 0.000 0.000) 8.432 0.767 ( 8.432 0.000 0.000) 8.432 0.822 ( -10.066 0.000 0.000) 10.066 0.822 ( 10.066 0.000 0.000) 10.066 1.198 ( -1.818 0.000 0.000) 1.818 1.198 ( 1.818 0.000 0.000) 1.818 1.309 ( -0.555 0.000 0.000) 0.555 1.309 ( 0.555 0.000 0.000) 0.555 1.322 ( -3.933 0.000 0.000) 3.933 1.322 ( 3.933 0.000 0.000) 3.933 1.421 ( -1.165 0.000 0.000) 1.165 1.421 ( 1.165 0.000 0.000) 1.165 1.596 ( -1.863 0.000 0.000) 1.863 1.596 ( 1.863 0.000 0.000) 1.863 1.598 ( -18.720 0.000 0.000) 18.720 1.598 ( 18.720 0.000 0.000) 18.720 1.669 ( -2.350 0.000 0.000) 2.350 1.669 ( 2.350 0.000 0.000) 2.350 1.779 ( -1.246 0.000 0.000) 1.246 1.779 ( 1.246 0.000 0.000) 1.246 1.855 ( -0.918 0.000 0.000) 0.918 1.855 ( 0.918 0.000 0.000) 0.918 1.914 ( -1.231 0.000 0.000) 1.231 1.914 ( 1.231 0.000 0.000) 1.231 2.255 ( -2.636 0.000 0.000) 2.636 2.255 ( 2.636 0.000 0.000) 2.636 2.268 ( -1.095 0.000 0.000) 1.095 2.268 ( 1.095 0.000 0.000) 1.095 2.270 ( -1.076 0.000 0.000) 1.076 2.270 ( 1.076 0.000 0.000) 1.076 2.416 ( -0.972 0.000 0.000) 0.972 2.416 ( 0.972 0.000 0.000) 0.972 2.481 ( -0.329 0.000 0.000) 0.329 2.481 ( 0.329 0.000 0.000) 0.329 2.732 ( -4.127 0.000 0.000) 4.127 2.732 ( 4.127 0.000 0.000) 4.127 2.739 ( -1.712 0.000 0.000) 1.712 2.739 ( 1.712 0.000 0.000) 1.712 2.826 ( -0.779 0.000 0.000) 0.779 2.826 ( 0.779 0.000 0.000) 0.779 2.831 ( -2.500 0.000 0.000) 2.500 2.831 ( 2.500 0.000 0.000) 2.500 3.017 ( -1.362 0.000 0.000) 1.362 3.017 ( 1.362 0.000 0.000) 1.362 3.207 ( -0.584 0.000 0.000) 0.584 3.207 ( 0.584 0.000 0.000) 0.584 3.533 ( -9.997 0.000 0.000) 9.997 3.533 ( 9.997 0.000 0.000) 9.997 9.028 ( -1.764 0.000 0.000) 1.764 9.028 ( 1.764 0.000 0.000) 1.764 9.156 ( -1.307 0.000 0.000) 1.307 9.156 ( 1.307 0.000 0.000) 1.307 9.165 ( -1.098 0.000 0.000) 1.098 9.165 ( 1.098 0.000 0.000) 1.098 9.227 ( -2.995 0.000 0.000) 2.995 9.227 ( 2.995 0.000 0.000) 2.995 11.182 ( -1.624 0.000 0.000) 1.624 11.182 ( 1.624 0.000 0.000) 1.624 11.280 ( -3.445 0.000 0.000) 3.445 11.280 ( 3.445 0.000 0.000) 3.445 11.290 ( -0.158 0.000 0.000) 0.158 11.290 ( 0.158 0.000 0.000) 0.158 11.358 ( -0.246 0.000 0.000) 0.246 11.358 ( 0.246 0.000 0.000) 0.246 11.841 ( -2.315 0.000 0.000) 2.315 11.841 ( 2.315 0.000 0.000) 2.315 11.976 ( -0.926 0.000 0.000) 0.926 11.976 ( 0.926 0.000 0.000) 0.926 23.959 ( -0.099 0.000 0.000) 0.099 23.959 ( 0.099 0.000 0.000) 0.099 23.976 ( -0.008 0.000 0.000) 0.008 23.976 ( 0.008 0.000 0.000) 0.008 24.421 ( -1.332 0.000 0.000) 1.332 24.421 ( 1.332 0.000 0.000) 1.332 24.576 ( -0.132 0.000 0.000) 0.132 24.576 ( 0.132 0.000 0.000) 0.132 24.590 ( -0.425 0.000 0.000) 0.425 24.590 ( 0.425 0.000 0.000) 0.425 24.825 ( -7.927 0.000 0.000) 7.927 24.825 ( 7.927 0.000 0.000) 7.927 25.374 ( -2.202 0.000 0.000) 2.202 25.374 ( 2.202 0.000 0.000) 2.202 25.713 ( -6.943 0.000 0.000) 6.943 25.713 ( 6.943 0.000 0.000) 6.943 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 0.000 14.456 0.000) 14.456 0.313 ( 0.000 15.852 0.000) 15.852 0.531 ( 0.000 24.469 0.000) 24.469 0.920 ( 0.000 3.512 0.000) 3.512 0.952 ( 0.000 6.365 0.000) 6.365 1.111 ( 0.000 -1.375 0.000) 1.375 1.195 ( 0.000 0.377 0.000) 0.377 1.199 ( 0.000 3.001 0.000) 3.001 1.339 ( 0.000 -3.168 0.000) 3.168 1.420 ( 0.000 2.135 0.000) 2.135 1.444 ( 0.000 -1.168 0.000) 1.168 1.458 ( 0.000 -0.249 0.000) 0.249 1.495 ( 0.000 -0.121 0.000) 0.121 1.506 ( 0.000 3.048 0.000) 3.048 1.522 ( 0.000 6.445 0.000) 6.445 1.556 ( 0.000 -2.069 0.000) 2.069 1.613 ( 0.000 -3.080 0.000) 3.080 1.713 ( 0.000 -1.476 0.000) 1.476 1.756 ( 0.000 -1.540 0.000) 1.540 1.773 ( 0.000 -0.848 0.000) 0.848 1.829 ( 0.000 3.824 0.000) 3.824 1.844 ( 0.000 -5.287 0.000) 5.287 2.013 ( 0.000 -1.842 0.000) 1.842 2.142 ( 0.000 2.394 0.000) 2.394 2.168 ( 0.000 3.472 0.000) 3.472 2.193 ( 0.000 2.901 0.000) 2.901 2.227 ( 0.000 -1.468 0.000) 1.468 2.266 ( 0.000 -0.200 0.000) 0.200 2.382 ( 0.000 -2.064 0.000) 2.064 2.437 ( 0.000 2.893 0.000) 2.893 2.444 ( 0.000 -3.599 0.000) 3.599 2.487 ( 0.000 -1.226 0.000) 1.226 2.580 ( 0.000 3.623 0.000) 3.623 2.620 ( 0.000 3.126 0.000) 3.126 2.638 ( 0.000 4.140 0.000) 4.140 2.668 ( 0.000 0.730 0.000) 0.730 2.679 ( 0.000 -0.348 0.000) 0.348 2.715 ( 0.000 -2.693 0.000) 2.693 2.775 ( 0.000 -2.955 0.000) 2.955 2.777 ( 0.000 1.209 0.000) 1.209 2.957 ( 0.000 2.261 0.000) 2.261 2.960 ( 0.000 3.894 0.000) 3.894 3.016 ( 0.000 0.150 0.000) 0.150 3.082 ( 0.000 1.421 0.000) 1.421 3.085 ( 0.000 1.483 0.000) 1.483 3.216 ( 0.000 -3.431 0.000) 3.431 3.231 ( 0.000 -0.427 0.000) 0.427 3.791 ( 0.000 -4.795 0.000) 4.795 8.951 ( 0.000 -0.350 0.000) 0.350 9.067 ( 0.000 -1.997 0.000) 1.997 9.083 ( 0.000 -1.214 0.000) 1.214 9.122 ( 0.000 3.329 0.000) 3.329 9.165 ( 0.000 3.540 0.000) 3.540 9.195 ( 0.000 -2.594 0.000) 2.594 9.258 ( 0.000 2.585 0.000) 2.585 9.321 ( 0.000 2.849 0.000) 2.849 11.125 ( 0.000 0.441 0.000) 0.441 11.193 ( 0.000 -3.710 0.000) 3.710 11.235 ( 0.000 0.274 0.000) 0.274 11.372 ( 0.000 0.195 0.000) 0.195 11.395 ( 0.000 0.719 0.000) 0.719 11.437 ( 0.000 2.829 0.000) 2.829 11.473 ( 0.000 5.535 0.000) 5.535 11.549 ( 0.000 2.080 0.000) 2.080 11.639 ( 0.000 -1.981 0.000) 1.981 11.655 ( 0.000 -1.341 0.000) 1.341 11.885 ( 0.000 -0.853 0.000) 0.853 11.961 ( 0.000 -2.871 0.000) 2.871 23.953 ( 0.000 0.063 0.000) 0.063 23.960 ( 0.000 0.034 0.000) 0.034 23.964 ( 0.000 -0.024 0.000) 0.024 23.971 ( 0.000 -0.226 0.000) 0.226 24.377 ( 0.000 0.061 0.000) 0.061 24.477 ( 0.000 -1.666 0.000) 1.666 24.542 ( 0.000 -1.547 0.000) 1.547 24.573 ( 0.000 -0.530 0.000) 0.530 24.613 ( 0.000 3.023 0.000) 3.023 24.637 ( 0.000 2.667 0.000) 2.667 24.929 ( 0.000 1.618 0.000) 1.618 25.118 ( 0.000 -1.397 0.000) 1.397 25.135 ( 0.000 -0.137 0.000) 0.137 25.413 ( 0.000 -2.973 0.000) 2.973 25.448 ( 0.000 -1.434 0.000) 1.434 25.682 ( 0.000 -0.548 0.000) 0.548 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 9.697 9.807 0.000) 13.791 0.417 ( 10.572 10.131 0.000) 14.643 0.824 ( 21.357 17.750 0.000) 27.770 0.958 ( 3.041 3.147 0.000) 4.376 0.965 ( 0.922 6.474 0.000) 6.539 1.173 ( 4.515 -0.208 0.000) 4.520 1.196 ( -0.051 0.506 0.000) 0.508 1.215 ( 2.428 2.687 0.000) 3.622 1.321 ( -2.014 -1.979 0.000) 2.823 1.410 ( -0.221 1.622 0.000) 1.637 1.420 ( -2.470 -0.082 0.000) 2.471 1.450 ( -0.192 0.371 0.000) 0.418 1.500 ( -1.257 5.356 0.000) 5.502 1.515 ( 1.198 0.069 0.000) 1.200 1.548 ( 2.507 1.424 0.000) 2.884 1.602 ( 4.171 -2.060 0.000) 4.652 1.627 ( 2.365 -2.209 0.000) 3.236 1.686 ( -4.657 2.171 0.000) 5.138 1.721 ( 0.875 -1.376 0.000) 1.631 1.806 ( 1.919 -0.666 0.000) 2.031 1.822 ( -2.001 -4.194 0.000) 4.647 1.888 ( 4.817 0.936 0.000) 4.907 1.980 ( -2.416 -1.445 0.000) 2.815 2.041 ( -4.030 8.515 0.000) 9.421 2.181 ( 2.407 1.718 0.000) 2.957 2.219 ( 1.373 2.234 0.000) 2.622 2.235 ( 0.377 -1.542 0.000) 1.588 2.255 ( -1.467 0.413 0.000) 1.524 2.277 ( -5.427 0.378 0.000) 5.440 2.410 ( -1.431 1.283 0.000) 1.922 2.430 ( -1.532 -5.798 0.000) 5.997 2.524 ( -4.399 1.455 0.000) 4.633 2.558 ( 1.938 0.301 0.000) 1.961 2.563 ( -3.423 3.356 0.000) 4.794 2.569 ( -0.432 2.210 0.000) 2.252 2.692 ( 2.960 4.020 0.000) 4.992 2.762 ( 1.984 -1.913 0.000) 2.756 2.768 ( 0.462 1.484 0.000) 1.554 2.782 ( 0.271 -2.889 0.000) 2.902 2.826 ( 3.154 -2.238 0.000) 3.867 2.932 ( -1.495 3.879 0.000) 4.158 2.978 ( 0.950 1.983 0.000) 2.198 2.995 ( -2.788 0.918 0.000) 2.935 3.083 ( -0.357 2.115 0.000) 2.145 3.110 ( 2.692 0.471 0.000) 2.733 3.181 ( -0.765 -1.204 0.000) 1.427 3.254 ( 2.397 -0.495 0.000) 2.448 3.783 ( -3.107 -7.172 0.000) 7.816 8.963 ( 1.174 -0.377 0.000) 1.233 9.077 ( -0.725 -1.305 0.000) 1.493 9.084 ( 1.700 -2.162 0.000) 2.750 9.130 ( 0.789 3.218 0.000) 3.313 9.163 ( 0.054 3.833 0.000) 3.833 9.199 ( 0.198 -2.043 0.000) 2.053 9.265 ( -0.194 3.377 0.000) 3.383 9.308 ( -1.289 2.140 0.000) 2.499 11.131 ( 0.607 0.426 0.000) 0.741 11.196 ( -2.141 -0.335 0.000) 2.167 11.199 ( 0.528 -3.328 0.000) 3.369 11.312 ( -2.125 2.209 0.000) 3.065 11.366 ( -3.069 1.555 0.000) 3.441 11.410 ( -2.173 3.506 0.000) 4.125 11.415 ( -0.953 2.459 0.000) 2.637 11.512 ( -7.015 -1.379 0.000) 7.149 11.654 ( 6.632 2.609 0.000) 7.126 11.754 ( 4.521 -1.735 0.000) 4.843 11.959 ( -0.267 -2.725 0.000) 2.738 11.988 ( 3.523 -3.881 0.000) 5.242 23.954 ( 0.061 0.053 0.000) 0.081 23.957 ( -0.071 -0.094 0.000) 0.118 23.969 ( 0.241 -0.233 0.000) 0.335 23.972 ( 0.073 -0.249 0.000) 0.260 24.381 ( 0.439 0.057 0.000) 0.443 24.464 ( -1.064 -1.220 0.000) 1.619 24.554 ( 0.547 -1.751 0.000) 1.834 24.568 ( -0.395 -0.881 0.000) 0.965 24.621 ( 0.734 2.576 0.000) 2.678 24.647 ( 1.712 3.316 0.000) 3.732 24.757 ( -7.548 11.070 0.000) 13.399 25.105 ( -1.824 0.637 0.000) 1.932 25.192 ( 4.872 -0.643 0.000) 4.914 25.411 ( -2.714 -2.104 0.000) 3.434 25.444 ( 3.231 -2.802 0.000) 4.276 25.782 ( 2.898 -7.187 0.000) 7.749 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 11.812 5.367 0.000) 12.974 0.650 ( 11.903 6.449 0.000) 13.538 0.947 ( -3.648 6.019 0.000) 7.038 0.987 ( -1.778 3.300 0.000) 3.748 1.186 ( 0.570 0.276 0.000) 0.633 1.229 ( 0.682 -1.276 0.000) 1.447 1.267 ( 20.255 10.950 0.000) 23.025 1.288 ( 1.561 3.179 0.000) 3.542 1.308 ( 4.124 2.976 0.000) 5.086 1.374 ( -1.365 2.688 0.000) 3.014 1.414 ( 0.596 1.793 0.000) 1.889 1.446 ( -1.227 1.856 0.000) 2.225 1.466 ( -1.213 5.684 0.000) 5.812 1.533 ( 0.648 -1.809 0.000) 1.922 1.586 ( -2.218 -2.284 0.000) 3.184 1.610 ( 2.033 0.553 0.000) 2.107 1.676 ( 1.565 -1.380 0.000) 2.087 1.714 ( 4.075 -1.898 0.000) 4.495 1.752 ( 1.952 -0.981 0.000) 2.184 1.785 ( -0.727 -1.981 0.000) 2.110 1.828 ( 0.266 -0.714 0.000) 0.762 1.923 ( -4.353 -0.782 0.000) 4.423 1.959 ( 1.296 3.602 0.000) 3.828 2.070 ( -9.130 4.125 0.000) 10.018 2.086 ( 7.525 1.512 0.000) 7.675 2.227 ( -1.011 -0.775 0.000) 1.273 2.239 ( -0.070 -2.173 0.000) 2.174 2.248 ( 1.944 1.536 0.000) 2.478 2.294 ( 2.196 0.205 0.000) 2.205 2.361 ( -3.560 0.661 0.000) 3.620 2.406 ( -0.833 -3.994 0.000) 4.080 2.433 ( -2.738 1.755 0.000) 3.253 2.529 ( -0.819 3.630 0.000) 3.721 2.538 ( -0.731 3.735 0.000) 3.806 2.630 ( 2.933 -1.607 0.000) 3.344 2.737 ( 1.404 2.038 0.000) 2.475 2.759 ( -1.845 -2.417 0.000) 3.040 2.769 ( -0.302 1.056 0.000) 1.099 2.788 ( 0.848 -1.129 0.000) 1.412 2.852 ( -0.349 -1.119 0.000) 1.172 2.903 ( -1.300 4.351 0.000) 4.541 2.923 ( -3.405 3.345 0.000) 4.773 3.004 ( 1.671 1.684 0.000) 2.372 3.068 ( -1.115 2.675 0.000) 2.898 3.166 ( 2.242 -0.889 0.000) 2.412 3.187 ( 0.642 -1.646 0.000) 1.766 3.335 ( 5.971 -1.803 0.000) 6.238 3.664 ( -8.075 -5.980 0.000) 10.048 8.992 ( 1.559 -0.307 0.000) 1.589 9.055 ( -1.416 -0.823 0.000) 1.638 9.131 ( 2.662 -2.348 0.000) 3.549 9.153 ( 1.619 2.891 0.000) 3.313 9.171 ( 0.636 3.042 0.000) 3.107 9.198 ( -0.266 0.059 0.000) 0.273 9.247 ( -1.394 4.076 0.000) 4.308 9.271 ( -2.408 0.655 0.000) 2.495 11.149 ( 1.196 0.135 0.000) 1.204 11.178 ( -0.197 -1.885 0.000) 1.895 11.216 ( 1.287 -2.034 0.000) 2.407 11.288 ( -0.674 0.782 0.000) 1.032 11.316 ( -1.521 1.450 0.000) 2.101 11.377 ( -5.908 -0.645 0.000) 5.943 11.382 ( -0.896 1.906 0.000) 2.106 11.395 ( -1.270 1.970 0.000) 2.344 11.779 ( 5.481 2.168 0.000) 5.894 11.827 ( 2.673 -1.287 0.000) 2.967 11.952 ( -0.321 -2.374 0.000) 2.395 12.001 ( -1.436 -1.249 0.000) 1.903 23.956 ( 0.167 0.036 0.000) 0.171 23.957 ( 0.079 -0.147 0.000) 0.167 23.972 ( 0.032 -0.301 0.000) 0.303 23.973 ( -0.030 -0.319 0.000) 0.320 24.395 ( 0.890 -0.048 0.000) 0.892 24.440 ( -1.252 -0.621 0.000) 1.397 24.556 ( -0.112 -1.845 0.000) 1.849 24.560 ( -0.363 -1.535 0.000) 1.577 24.630 ( 0.336 3.010 0.000) 3.029 24.670 ( -2.296 7.694 0.000) 8.029 24.730 ( 6.143 3.936 0.000) 7.295 25.025 ( -6.291 4.063 0.000) 7.489 25.287 ( 3.868 -1.984 0.000) 4.347 25.366 ( -1.531 -3.949 0.000) 4.236 25.544 ( 6.498 -2.640 0.000) 7.014 25.773 ( -3.021 -5.034 0.000) 5.871 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -8.887 4.759 0.000) 10.081 0.817 ( 8.887 4.759 0.000) 10.081 0.868 ( -9.222 4.522 0.000) 10.271 0.868 ( 9.222 4.522 0.000) 10.271 1.205 ( -1.589 -0.088 0.000) 1.591 1.205 ( 1.589 -0.088 0.000) 1.591 1.355 ( -0.864 3.674 0.000) 3.774 1.355 ( 0.864 3.674 0.000) 3.774 1.373 ( -4.945 5.276 0.000) 7.231 1.373 ( 4.945 5.276 0.000) 7.231 1.434 ( -0.978 1.731 0.000) 1.988 1.434 ( 0.978 1.731 0.000) 1.988 1.542 ( -0.241 -3.144 0.000) 3.153 1.542 ( 0.241 -3.144 0.000) 3.153 1.658 ( -4.727 -0.091 0.000) 4.728 1.658 ( 4.727 -0.091 0.000) 4.728 1.677 ( -11.849 5.595 0.000) 13.104 1.677 ( 11.849 5.595 0.000) 13.104 1.775 ( -2.419 -1.264 0.000) 2.729 1.775 ( 2.419 -1.264 0.000) 2.729 1.820 ( -0.617 -1.956 0.000) 2.051 1.820 ( 0.617 -1.956 0.000) 2.051 1.976 ( -1.199 4.341 0.000) 4.503 1.976 ( 1.199 4.341 0.000) 4.503 2.210 ( -1.684 -3.826 0.000) 4.181 2.210 ( 1.684 -3.826 0.000) 4.181 2.255 ( -2.804 0.465 0.000) 2.843 2.255 ( 2.804 0.465 0.000) 2.843 2.305 ( -1.339 1.389 0.000) 1.929 2.305 ( 1.339 1.389 0.000) 1.929 2.403 ( -0.647 -0.261 0.000) 0.698 2.403 ( 0.647 -0.261 0.000) 0.698 2.525 ( -0.392 3.855 0.000) 3.874 2.525 ( 0.392 3.855 0.000) 3.874 2.698 ( -3.802 -2.580 0.000) 4.594 2.698 ( 3.802 -2.580 0.000) 4.594 2.757 ( -0.859 0.223 0.000) 0.887 2.757 ( 0.859 0.223 0.000) 0.887 2.821 ( -2.118 -0.248 0.000) 2.133 2.821 ( 2.118 -0.248 0.000) 2.133 2.888 ( -0.131 4.805 0.000) 4.806 2.888 ( 0.131 4.805 0.000) 4.806 3.039 ( -1.696 2.307 0.000) 2.864 3.039 ( 1.696 2.307 0.000) 2.864 3.191 ( -0.377 -1.337 0.000) 1.389 3.191 ( 0.377 -1.337 0.000) 1.389 3.488 ( -8.867 -4.204 0.000) 9.813 3.488 ( 8.867 -4.204 0.000) 9.813 9.024 ( -1.613 -0.347 0.000) 1.650 9.024 ( 1.613 -0.347 0.000) 1.650 9.168 ( -1.105 -0.219 0.000) 1.126 9.168 ( 1.105 -0.219 0.000) 1.126 9.195 ( -1.187 2.392 0.000) 2.670 9.195 ( 1.187 2.392 0.000) 2.670 9.226 ( -0.583 1.802 0.000) 1.894 9.226 ( 0.583 1.802 0.000) 1.894 11.171 ( -0.734 -0.947 0.000) 1.198 11.171 ( 0.734 -0.947 0.000) 1.198 11.260 ( -2.940 -0.995 0.000) 3.104 11.260 ( 2.940 -0.995 0.000) 3.104 11.303 ( -0.459 0.494 0.000) 0.674 11.303 ( 0.459 0.494 0.000) 0.674 11.377 ( -0.439 1.834 0.000) 1.886 11.377 ( 0.439 1.834 0.000) 1.886 11.850 ( -0.995 0.413 0.000) 1.077 11.850 ( 0.995 0.413 0.000) 1.077 11.960 ( -1.685 -1.233 0.000) 2.088 11.960 ( 1.685 -1.233 0.000) 2.088 23.958 ( -0.033 -0.026 0.000) 0.042 23.958 ( 0.033 -0.026 0.000) 0.042 23.972 ( -0.018 -0.362 0.000) 0.363 23.972 ( 0.018 -0.362 0.000) 0.363 24.416 ( -1.187 -0.249 0.000) 1.213 24.416 ( 1.187 -0.249 0.000) 1.213 24.555 ( -0.094 -1.917 0.000) 1.919 24.555 ( 0.094 -1.917 0.000) 1.919 24.641 ( -0.881 4.729 0.000) 4.811 24.641 ( 0.881 4.729 0.000) 4.811 24.875 ( -7.988 4.632 0.000) 9.233 24.875 ( 7.988 4.632 0.000) 9.233 25.339 ( -1.624 -3.353 0.000) 3.726 25.339 ( 1.624 -3.353 0.000) 3.726 25.678 ( -6.240 -3.373 0.000) 7.094 25.678 ( 6.240 -3.373 0.000) 7.094 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 12.176 0.000) 12.176 0.611 ( 0.000 14.339 0.000) 14.339 0.844 ( 0.000 8.011 0.000) 8.011 1.099 ( 0.000 0.827 0.000) 0.827 1.100 ( 0.000 8.002 0.000) 8.002 1.126 ( 0.000 15.583 0.000) 15.583 1.196 ( 0.000 0.234 0.000) 0.234 1.255 ( 0.000 2.612 0.000) 2.612 1.257 ( 0.000 -5.254 0.000) 5.254 1.419 ( 0.000 -1.380 0.000) 1.380 1.459 ( 0.000 0.182 0.000) 0.182 1.464 ( 0.000 1.790 0.000) 1.790 1.497 ( 0.000 -0.011 0.000) 0.011 1.517 ( 0.000 -0.599 0.000) 0.599 1.534 ( 0.000 -0.229 0.000) 0.229 1.549 ( 0.000 -2.770 0.000) 2.770 1.623 ( 0.000 1.201 0.000) 1.201 1.685 ( 0.000 -0.705 0.000) 0.705 1.727 ( 0.000 -0.908 0.000) 0.908 1.735 ( 0.000 -5.023 0.000) 5.023 1.748 ( 0.000 -0.824 0.000) 0.824 1.957 ( 0.000 -3.140 0.000) 3.140 1.964 ( 0.000 7.598 0.000) 7.598 2.149 ( 0.000 -3.325 0.000) 3.325 2.228 ( 0.000 3.352 0.000) 3.352 2.231 ( 0.000 -0.801 0.000) 0.801 2.240 ( 0.000 3.576 0.000) 3.576 2.293 ( 0.000 1.854 0.000) 1.854 2.306 ( 0.000 -2.739 0.000) 2.739 2.382 ( 0.000 -1.283 0.000) 1.283 2.506 ( 0.000 3.355 0.000) 3.355 2.508 ( 0.000 2.220 0.000) 2.220 2.611 ( 0.000 -5.079 0.000) 5.079 2.614 ( 0.000 -0.725 0.000) 0.725 2.659 ( 0.000 -2.476 0.000) 2.476 2.667 ( 0.000 1.836 0.000) 1.836 2.707 ( 0.000 -0.058 0.000) 0.058 2.730 ( 0.000 5.957 0.000) 5.957 2.772 ( 0.000 2.660 0.000) 2.660 2.806 ( 0.000 2.048 0.000) 2.048 3.020 ( 0.000 3.811 0.000) 3.811 3.021 ( 0.000 0.413 0.000) 0.413 3.037 ( 0.000 3.687 0.000) 3.687 3.100 ( 0.000 -0.730 0.000) 0.730 3.121 ( 0.000 2.522 0.000) 2.522 3.154 ( 0.000 -1.661 0.000) 1.661 3.225 ( 0.000 -0.047 0.000) 0.047 3.655 ( 0.000 -8.961 0.000) 8.961 8.948 ( 0.000 0.027 0.000) 0.027 9.025 ( 0.000 -2.063 0.000) 2.063 9.060 ( 0.000 -1.084 0.000) 1.084 9.141 ( 0.000 -2.793 0.000) 2.793 9.202 ( 0.000 4.543 0.000) 4.543 9.251 ( 0.000 4.970 0.000) 4.970 9.311 ( 0.000 2.540 0.000) 2.540 9.377 ( 0.000 2.653 0.000) 2.653 11.134 ( 0.000 0.450 0.000) 0.450 11.141 ( 0.000 -1.590 0.000) 1.590 11.247 ( 0.000 1.093 0.000) 1.093 11.393 ( 0.000 1.850 0.000) 1.850 11.422 ( 0.000 2.098 0.000) 2.098 11.479 ( 0.000 0.183 0.000) 0.183 11.565 ( 0.000 3.376 0.000) 3.376 11.602 ( 0.000 3.185 0.000) 3.185 11.606 ( 0.000 -0.068 0.000) 0.068 11.618 ( 0.000 -2.398 0.000) 2.398 11.858 ( 0.000 -1.946 0.000) 1.946 11.887 ( 0.000 -4.393 0.000) 4.393 23.955 ( 0.000 0.091 0.000) 0.091 23.961 ( 0.000 0.116 0.000) 0.116 23.965 ( 0.000 0.132 0.000) 0.132 23.966 ( 0.000 -0.272 0.000) 0.272 24.382 ( 0.000 0.515 0.000) 0.515 24.447 ( 0.000 -1.274 0.000) 1.274 24.504 ( 0.000 -2.186 0.000) 2.186 24.550 ( 0.000 -1.869 0.000) 1.869 24.684 ( 0.000 3.914 0.000) 3.914 24.695 ( 0.000 3.025 0.000) 3.025 24.958 ( 0.000 1.062 0.000) 1.062 25.081 ( 0.000 -2.304 0.000) 2.304 25.133 ( 0.000 0.035 0.000) 0.035 25.335 ( 0.000 -4.679 0.000) 4.679 25.435 ( 0.000 0.780 0.000) 0.780 25.664 ( 0.000 -1.428 0.000) 1.428 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 4.012 13.315 0.000) 13.907 0.634 ( 7.309 11.143 0.000) 13.326 1.004 ( 8.753 5.090 0.000) 10.126 1.106 ( 0.960 6.622 0.000) 6.691 1.169 ( 3.500 0.329 0.000) 3.515 1.190 ( 1.938 4.635 0.000) 5.024 1.213 ( 7.401 9.378 0.000) 11.947 1.265 ( 2.787 -1.397 0.000) 3.117 1.290 ( 2.397 2.629 0.000) 3.558 1.440 ( -1.071 4.241 0.000) 4.374 1.452 ( 2.099 -0.310 0.000) 2.122 1.453 ( 0.326 2.421 0.000) 2.443 1.526 ( 0.779 0.705 0.000) 1.051 1.527 ( -0.889 -3.639 0.000) 3.746 1.551 ( 3.946 -2.858 0.000) 4.872 1.553 ( 0.857 0.148 0.000) 0.869 1.618 ( -0.119 0.825 0.000) 0.834 1.680 ( 0.122 -2.262 0.000) 2.265 1.729 ( -0.511 -4.459 0.000) 4.488 1.734 ( 0.378 1.009 0.000) 1.078 1.780 ( 2.370 -1.566 0.000) 2.841 1.939 ( -0.832 -1.954 0.000) 2.124 1.976 ( 1.140 7.171 0.000) 7.261 2.155 ( -4.232 4.155 0.000) 5.931 2.189 ( 0.992 -1.765 0.000) 2.024 2.240 ( 1.779 -4.659 0.000) 4.987 2.241 ( -0.594 2.846 0.000) 2.907 2.265 ( -3.211 0.437 0.000) 3.241 2.297 ( -0.073 1.639 0.000) 1.641 2.344 ( -1.482 1.393 0.000) 2.034 2.466 ( -2.930 3.783 0.000) 4.785 2.542 ( -4.589 0.010 0.000) 4.589 2.555 ( 2.894 0.166 0.000) 2.899 2.605 ( -0.346 -0.461 0.000) 0.577 2.622 ( -1.702 1.420 0.000) 2.217 2.685 ( 0.272 -2.541 0.000) 2.555 2.725 ( 0.233 -2.019 0.000) 2.032 2.787 ( 1.836 0.112 0.000) 1.840 2.796 ( 1.869 3.004 0.000) 3.538 2.809 ( 1.082 2.638 0.000) 2.851 3.006 ( -1.400 0.743 0.000) 1.585 3.010 ( -1.149 3.644 0.000) 3.821 3.030 ( 0.055 3.127 0.000) 3.128 3.104 ( 0.434 -0.607 0.000) 0.746 3.135 ( 1.230 2.117 0.000) 2.448 3.159 ( 0.570 -0.239 0.000) 0.618 3.245 ( 1.762 -0.436 0.000) 1.815 3.625 ( -3.269 -9.015 0.000) 9.589 8.959 ( 1.098 -0.035 0.000) 1.099 9.039 ( 1.348 -2.265 0.000) 2.636 9.054 ( -0.496 -0.917 0.000) 1.043 9.148 ( 0.486 -2.917 0.000) 2.957 9.209 ( 0.657 4.535 0.000) 4.582 9.252 ( 0.207 4.979 0.000) 4.983 9.326 ( 0.859 2.653 0.000) 2.789 9.359 ( -1.783 2.697 0.000) 3.233 11.139 ( 0.517 0.285 0.000) 0.590 11.154 ( 1.302 -1.130 0.000) 1.724 11.211 ( -3.034 1.579 0.000) 3.420 11.348 ( -2.756 1.954 0.000) 3.379 11.393 ( -2.663 1.777 0.000) 3.202 11.452 ( -2.903 -1.054 0.000) 3.088 11.482 ( -3.794 3.144 0.000) 4.928 11.490 ( -5.039 0.832 0.000) 5.107 11.710 ( 6.177 2.725 0.000) 6.752 11.716 ( 4.576 -1.613 0.000) 4.852 11.890 ( 0.246 -3.914 0.000) 3.921 11.926 ( 4.157 -2.872 0.000) 5.052 23.955 ( 0.041 0.078 0.000) 0.088 23.958 ( -0.180 0.172 0.000) 0.249 23.966 ( 0.028 -0.293 0.000) 0.294 23.967 ( 0.120 0.006 0.000) 0.120 24.386 ( 0.426 0.498 0.000) 0.656 24.442 ( -0.380 -0.864 0.000) 0.944 24.515 ( 0.627 -2.164 0.000) 2.253 24.540 ( -0.909 -2.051 0.000) 2.243 24.681 ( 0.198 3.272 0.000) 3.278 24.719 ( 2.532 3.697 0.000) 4.481 24.907 ( -4.245 4.683 0.000) 6.321 25.111 ( 2.528 -0.473 0.000) 2.572 25.178 ( 3.726 -0.538 0.000) 3.765 25.371 ( 3.623 -4.398 0.000) 5.698 25.377 ( -5.475 -0.348 0.000) 5.486 25.675 ( 0.513 -4.180 0.000) 4.211 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 9.139 9.943 0.000) 13.505 0.810 ( 9.528 9.278 0.000) 13.299 1.072 ( -4.691 5.743 0.000) 7.415 1.081 ( -0.735 6.068 0.000) 6.113 1.189 ( -0.007 0.478 0.000) 0.478 1.203 ( 0.449 -0.874 0.000) 0.982 1.352 ( 5.012 1.796 0.000) 5.324 1.376 ( 5.089 4.591 0.000) 6.854 1.408 ( 2.034 0.777 0.000) 2.177 1.430 ( 3.351 1.958 0.000) 3.882 1.471 ( 0.142 2.646 0.000) 2.650 1.490 ( -0.944 -0.380 0.000) 1.018 1.512 ( -0.007 0.832 0.000) 0.832 1.558 ( 3.266 2.185 0.000) 3.929 1.591 ( 7.897 7.380 0.000) 10.809 1.630 ( 1.318 0.052 0.000) 1.319 1.639 ( 2.326 -2.267 0.000) 3.248 1.696 ( 1.367 -4.224 0.000) 4.440 1.730 ( -0.491 3.664 0.000) 3.697 1.733 ( 1.699 -2.808 0.000) 3.282 1.805 ( -0.197 -1.412 0.000) 1.426 1.938 ( 0.271 2.036 0.000) 2.053 2.010 ( 1.923 3.603 0.000) 4.084 2.118 ( 0.300 1.042 0.000) 1.084 2.142 ( -7.068 2.213 0.000) 7.406 2.164 ( -2.407 -4.579 0.000) 5.173 2.240 ( 1.119 2.421 0.000) 2.667 2.292 ( -0.069 2.275 0.000) 2.276 2.328 ( 3.102 1.874 0.000) 3.624 2.348 ( 1.942 -0.602 0.000) 2.033 2.399 ( -3.631 3.244 0.000) 4.869 2.462 ( -3.016 0.719 0.000) 3.100 2.588 ( 0.434 -0.141 0.000) 0.457 2.607 ( 0.179 2.066 0.000) 2.074 2.618 ( 1.416 2.397 0.000) 2.784 2.683 ( -0.071 -4.761 0.000) 4.761 2.697 ( -2.549 -3.808 0.000) 4.583 2.767 ( -2.467 -0.791 0.000) 2.591 2.829 ( 1.271 2.822 0.000) 3.095 2.844 ( 1.065 1.361 0.000) 1.728 2.977 ( -1.178 2.218 0.000) 2.512 2.984 ( -1.224 3.311 0.000) 3.530 3.050 ( 1.760 2.496 0.000) 3.054 3.108 ( -0.316 0.049 0.000) 0.320 3.163 ( 1.323 0.995 0.000) 1.656 3.173 ( 0.714 0.966 0.000) 1.201 3.294 ( 3.324 -2.230 0.000) 4.002 3.523 ( -6.609 -7.958 0.000) 10.345 8.987 ( 1.551 -0.150 0.000) 1.558 9.040 ( -0.928 -0.556 0.000) 1.082 9.078 ( 2.418 -2.770 0.000) 3.677 9.150 ( -0.501 -3.018 0.000) 3.059 9.228 ( 1.272 4.414 0.000) 4.593 9.264 ( 1.036 4.713 0.000) 4.826 9.313 ( -2.495 3.093 0.000) 3.974 9.327 ( -0.891 3.591 0.000) 3.700 11.152 ( 0.649 0.239 0.000) 0.692 11.165 ( -1.071 0.760 0.000) 1.313 11.190 ( 2.274 -0.618 0.000) 2.356 11.305 ( -1.969 1.045 0.000) 2.229 11.338 ( -2.301 1.297 0.000) 2.641 11.356 ( -4.602 -1.375 0.000) 4.803 11.427 ( -1.711 2.079 0.000) 2.692 11.438 ( -1.647 1.849 0.000) 2.476 11.795 ( 3.262 -1.428 0.000) 3.561 11.820 ( 4.118 1.650 0.000) 4.436 11.897 ( 0.784 -2.736 0.000) 2.847 11.971 ( 0.185 -1.888 0.000) 1.897 23.956 ( 0.028 0.076 0.000) 0.081 23.957 ( 0.143 0.051 0.000) 0.151 23.966 ( -0.071 -0.314 0.000) 0.322 23.968 ( -0.059 -0.099 0.000) 0.115 24.398 ( 0.788 0.445 0.000) 0.904 24.432 ( -0.668 -0.158 0.000) 0.686 24.518 ( -0.239 -1.969 0.000) 1.984 24.522 ( -0.717 -2.227 0.000) 2.339 24.698 ( 1.579 3.752 0.000) 4.071 24.813 ( 6.905 3.996 0.000) 7.978 24.818 ( -4.229 6.681 0.000) 7.907 25.131 ( -3.294 6.458 0.000) 7.250 25.244 ( 2.241 -1.877 0.000) 2.924 25.264 ( -3.036 -5.950 0.000) 6.680 25.474 ( 6.203 -4.283 0.000) 7.538 25.663 ( -1.983 -5.838 0.000) 6.165 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -7.870 7.272 0.000) 10.715 0.938 ( 7.870 7.272 0.000) 10.715 0.989 ( -7.324 7.428 0.000) 10.431 0.989 ( 7.324 7.428 0.000) 10.431 1.200 ( -0.612 -0.096 0.000) 0.620 1.200 ( 0.612 -0.096 0.000) 0.620 1.419 ( -0.557 2.668 0.000) 2.725 1.419 ( 0.557 2.668 0.000) 2.725 1.449 ( -1.229 1.902 0.000) 2.265 1.449 ( 1.229 1.902 0.000) 2.265 1.461 ( -1.274 -0.500 0.000) 1.369 1.461 ( 1.274 -0.500 0.000) 1.369 1.550 ( -2.307 2.977 0.000) 3.767 1.550 ( 2.307 2.977 0.000) 3.767 1.636 ( -0.911 -1.729 0.000) 1.954 1.636 ( 0.911 -1.729 0.000) 1.954 1.717 ( -0.061 -0.868 0.000) 0.870 1.717 ( 0.061 -0.868 0.000) 0.870 1.780 ( -2.052 -2.389 0.000) 3.149 1.780 ( 2.052 -2.389 0.000) 3.149 1.858 ( -10.725 9.678 0.000) 14.446 1.858 ( 10.725 9.678 0.000) 14.446 2.035 ( -1.407 0.743 0.000) 1.591 2.035 ( 1.407 0.743 0.000) 1.591 2.132 ( -0.934 -2.448 0.000) 2.621 2.132 ( 0.934 -2.448 0.000) 2.621 2.283 ( -1.744 1.856 0.000) 2.547 2.283 ( 1.744 1.856 0.000) 2.547 2.346 ( -1.046 3.151 0.000) 3.320 2.346 ( 1.046 3.151 0.000) 3.320 2.409 ( -2.743 0.343 0.000) 2.764 2.409 ( 2.743 0.343 0.000) 2.764 2.602 ( -0.823 1.948 0.000) 2.115 2.602 ( 0.823 1.948 0.000) 2.115 2.647 ( -1.754 -1.090 0.000) 2.065 2.647 ( 1.754 -1.090 0.000) 2.065 2.709 ( -2.762 -3.934 0.000) 4.807 2.709 ( 2.762 -3.934 0.000) 4.807 2.848 ( -0.546 2.062 0.000) 2.133 2.848 ( 0.546 2.062 0.000) 2.133 2.968 ( -0.255 3.060 0.000) 3.070 2.968 ( 0.255 3.060 0.000) 3.070 3.088 ( -1.688 1.559 0.000) 2.297 3.088 ( 1.688 1.559 0.000) 2.297 3.180 ( -0.257 0.919 0.000) 0.954 3.180 ( 0.257 0.919 0.000) 0.954 3.388 ( -6.183 -5.590 0.000) 8.335 3.388 ( 6.183 -5.590 0.000) 8.335 9.017 ( -1.396 -0.269 0.000) 1.422 9.017 ( 1.396 -0.269 0.000) 1.422 9.125 ( -1.997 -3.099 0.000) 3.687 9.125 ( 1.997 -3.099 0.000) 3.687 9.260 ( -1.874 3.986 0.000) 4.404 9.260 ( 1.874 3.986 0.000) 4.404 9.299 ( -1.495 4.221 0.000) 4.478 9.299 ( 1.495 4.221 0.000) 4.478 11.159 ( -0.028 0.092 0.000) 0.096 11.159 ( 0.028 0.092 0.000) 0.096 11.246 ( -3.353 -0.500 0.000) 3.390 11.246 ( 3.353 -0.500 0.000) 3.390 11.314 ( -0.019 0.821 0.000) 0.821 11.314 ( 0.019 0.821 0.000) 0.821 11.415 ( -0.437 1.545 0.000) 1.606 11.415 ( 0.437 1.545 0.000) 1.606 11.842 ( -1.287 -0.947 0.000) 1.598 11.842 ( 1.287 -0.947 0.000) 1.598 11.941 ( -2.760 -0.781 0.000) 2.869 11.941 ( 2.760 -0.781 0.000) 2.869 23.958 ( -0.070 0.004 0.000) 0.070 23.958 ( 0.070 0.004 0.000) 0.070 23.966 ( -0.102 -0.215 0.000) 0.238 23.966 ( 0.102 -0.215 0.000) 0.238 24.416 ( -0.913 0.285 0.000) 0.956 24.416 ( 0.913 0.285 0.000) 0.956 24.514 ( -0.039 -2.113 0.000) 2.113 24.514 ( 0.039 -2.113 0.000) 2.113 24.745 ( -3.067 5.406 0.000) 6.216 24.745 ( 3.067 5.406 0.000) 6.216 24.980 ( -9.192 5.185 0.000) 10.554 24.980 ( 9.192 5.185 0.000) 10.554 25.261 ( -0.348 -3.755 0.000) 3.771 25.261 ( 0.348 -3.755 0.000) 3.771 25.592 ( -5.044 -5.157 0.000) 7.214 25.592 ( 5.044 -5.157 0.000) 7.214 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.000 9.507 0.000) 9.507 0.862 ( 0.000 11.073 0.000) 11.073 0.979 ( 0.000 6.242 0.000) 6.242 1.122 ( 0.000 -7.981 0.000) 7.981 1.164 ( 0.000 5.605 0.000) 5.605 1.216 ( 0.000 1.886 0.000) 1.886 1.245 ( 0.000 5.545 0.000) 5.545 1.279 ( 0.000 -0.021 0.000) 0.021 1.303 ( 0.000 2.451 0.000) 2.451 1.404 ( 0.000 -0.517 0.000) 0.517 1.412 ( 0.000 -3.308 0.000) 3.308 1.452 ( 0.000 -1.732 0.000) 1.732 1.475 ( 0.000 -2.381 0.000) 2.381 1.488 ( 0.000 -4.558 0.000) 4.558 1.495 ( 0.000 -4.121 0.000) 4.121 1.571 ( 0.000 -4.673 0.000) 4.673 1.672 ( 0.000 12.927 0.000) 12.927 1.711 ( 0.000 3.808 0.000) 3.808 1.714 ( 0.000 3.939 0.000) 3.939 1.734 ( 0.000 2.239 0.000) 2.239 1.755 ( 0.000 0.623 0.000) 0.623 1.911 ( 0.000 -2.046 0.000) 2.046 2.020 ( 0.000 -1.472 0.000) 1.472 2.022 ( 0.000 -8.530 0.000) 8.530 2.157 ( 0.000 -4.263 0.000) 4.263 2.219 ( 0.000 -4.054 0.000) 4.054 2.306 ( 0.000 3.219 0.000) 3.219 2.357 ( 0.000 6.120 0.000) 6.120 2.380 ( 0.000 3.705 0.000) 3.705 2.403 ( 0.000 1.875 0.000) 1.875 2.519 ( 0.000 -3.544 0.000) 3.544 2.530 ( 0.000 -1.156 0.000) 1.156 2.547 ( 0.000 1.585 0.000) 1.585 2.609 ( 0.000 -2.183 0.000) 2.183 2.617 ( 0.000 1.555 0.000) 1.555 2.675 ( 0.000 -2.375 0.000) 2.375 2.707 ( 0.000 2.571 0.000) 2.571 2.800 ( 0.000 -0.374 0.000) 0.374 2.854 ( 0.000 5.669 0.000) 5.669 2.867 ( 0.000 3.933 0.000) 3.933 3.034 ( 0.000 1.057 0.000) 1.057 3.084 ( 0.000 0.068 0.000) 0.068 3.088 ( 0.000 2.768 0.000) 2.768 3.098 ( 0.000 2.363 0.000) 2.363 3.144 ( 0.000 0.312 0.000) 0.312 3.174 ( 0.000 2.622 0.000) 2.622 3.226 ( 0.000 -0.098 0.000) 0.098 3.451 ( 0.000 -11.539 0.000) 11.539 8.952 ( 0.000 0.457 0.000) 0.457 8.990 ( 0.000 -1.528 0.000) 1.528 9.046 ( 0.000 -0.156 0.000) 0.156 9.090 ( 0.000 -2.279 0.000) 2.279 9.287 ( 0.000 3.768 0.000) 3.768 9.345 ( 0.000 4.243 0.000) 4.243 9.347 ( 0.000 0.883 0.000) 0.883 9.415 ( 0.000 0.897 0.000) 0.897 11.127 ( 0.000 0.049 0.000) 0.049 11.139 ( 0.000 -0.017 0.000) 0.017 11.282 ( 0.000 2.526 0.000) 2.526 11.428 ( 0.000 -3.782 0.000) 3.782 11.441 ( 0.000 2.531 0.000) 2.531 11.477 ( 0.000 3.427 0.000) 3.427 11.564 ( 0.000 -3.045 0.000) 3.045 11.593 ( 0.000 -0.652 0.000) 0.652 11.654 ( 0.000 3.992 0.000) 3.992 11.668 ( 0.000 3.412 0.000) 3.412 11.802 ( 0.000 -3.993 0.000) 3.993 11.808 ( 0.000 -3.168 0.000) 3.168 23.956 ( 0.000 0.092 0.000) 0.092 23.961 ( 0.000 -0.189 0.000) 0.189 23.965 ( 0.000 0.202 0.000) 0.202 23.968 ( 0.000 0.125 0.000) 0.125 24.401 ( 0.000 1.507 0.000) 1.507 24.431 ( 0.000 -0.321 0.000) 0.321 24.463 ( 0.000 -1.867 0.000) 1.867 24.501 ( 0.000 -3.027 0.000) 3.027 24.749 ( 0.000 2.283 0.000) 2.283 24.751 ( 0.000 2.541 0.000) 2.541 24.972 ( 0.000 0.640 0.000) 0.640 25.034 ( 0.000 -2.396 0.000) 2.396 25.140 ( 0.000 0.820 0.000) 0.820 25.243 ( 0.000 -4.449 0.000) 4.449 25.482 ( 0.000 3.617 0.000) 3.617 25.624 ( 0.000 -2.696 0.000) 2.696 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 6.423 9.088 0.000) 11.129 0.867 ( 2.969 12.247 0.000) 12.602 1.105 ( 8.232 3.921 0.000) 9.118 1.133 ( 1.101 -5.210 0.000) 5.325 1.204 ( 2.386 4.468 0.000) 5.065 1.215 ( -0.051 1.800 0.000) 1.800 1.281 ( 3.316 3.879 0.000) 5.103 1.304 ( 2.337 -0.895 0.000) 2.502 1.357 ( 4.692 3.085 0.000) 5.615 1.410 ( -0.028 -2.771 0.000) 2.771 1.466 ( 3.583 -1.756 0.000) 3.990 1.467 ( 1.575 -0.301 0.000) 1.604 1.484 ( 3.124 -3.473 0.000) 4.671 1.507 ( 0.675 -4.027 0.000) 4.083 1.513 ( 1.715 -3.090 0.000) 3.534 1.584 ( 1.921 -2.149 0.000) 2.883 1.676 ( -3.291 3.103 0.000) 4.524 1.677 ( 0.686 8.737 0.000) 8.764 1.717 ( 0.561 4.191 0.000) 4.229 1.727 ( 0.293 -0.301 0.000) 0.420 1.793 ( 2.897 4.675 0.000) 5.500 1.912 ( 0.912 -1.827 0.000) 2.042 2.038 ( 1.554 -0.850 0.000) 1.771 2.074 ( 2.871 -9.372 0.000) 9.802 2.139 ( 0.226 -1.905 0.000) 1.918 2.242 ( 1.432 -3.046 0.000) 3.366 2.264 ( -3.456 4.685 0.000) 5.821 2.315 ( -3.093 3.819 0.000) 4.914 2.360 ( -1.553 3.142 0.000) 3.505 2.395 ( -0.530 2.110 0.000) 2.176 2.500 ( -0.989 -0.708 0.000) 1.216 2.556 ( -2.257 0.971 0.000) 2.457 2.559 ( 0.890 0.298 0.000) 0.938 2.566 ( -0.681 -0.827 0.000) 1.071 2.597 ( -1.070 -1.797 0.000) 2.092 2.667 ( -1.431 -3.080 0.000) 3.397 2.710 ( 0.319 3.403 0.000) 3.418 2.823 ( 1.806 -0.545 0.000) 1.887 2.845 ( -1.234 3.965 0.000) 4.152 2.868 ( 0.245 3.000 0.000) 3.010 3.038 ( 0.051 2.540 0.000) 2.540 3.068 ( -1.835 2.283 0.000) 2.929 3.084 ( -0.755 1.948 0.000) 2.089 3.088 ( 0.431 -0.160 0.000) 0.460 3.158 ( 1.286 0.047 0.000) 1.287 3.185 ( 0.813 2.630 0.000) 2.753 3.238 ( 0.955 -0.348 0.000) 1.016 3.431 ( -2.153 -10.661 0.000) 10.876 8.962 ( 0.968 0.392 0.000) 1.044 9.000 ( 1.029 -1.637 0.000) 1.933 9.044 ( -0.221 -0.011 0.000) 0.222 9.094 ( 0.206 -2.466 0.000) 2.474 9.294 ( 0.720 3.895 0.000) 3.961 9.344 ( -0.035 4.028 0.000) 4.028 9.361 ( 1.085 0.742 0.000) 1.314 9.400 ( -1.327 1.246 0.000) 1.820 11.140 ( 1.060 0.128 0.000) 1.067 11.149 ( 1.082 -0.004 0.000) 1.082 11.254 ( -2.605 2.777 0.000) 3.808 11.393 ( -3.236 -3.344 0.000) 4.653 11.395 ( -3.454 2.383 0.000) 4.196 11.440 ( -3.259 2.876 0.000) 4.347 11.500 ( -3.527 -1.133 0.000) 3.705 11.519 ( -4.363 0.397 0.000) 4.381 11.720 ( 4.256 2.315 0.000) 4.845 11.752 ( 5.293 1.556 0.000) 5.517 11.820 ( 1.496 -2.910 0.000) 3.272 11.864 ( 3.964 -3.570 0.000) 5.334 23.956 ( 0.020 0.088 0.000) 0.091 23.962 ( 0.010 -0.201 0.000) 0.201 23.963 ( -0.157 0.263 0.000) 0.307 23.968 ( -0.007 0.029 0.000) 0.030 24.403 ( 0.277 1.325 0.000) 1.354 24.433 ( 0.216 -0.002 0.000) 0.216 24.474 ( 0.751 -1.934 0.000) 2.075 24.491 ( -0.792 -2.765 0.000) 2.877 24.742 ( 0.281 2.820 0.000) 2.834 24.776 ( 2.318 1.819 0.000) 2.947 24.968 ( -0.739 2.286 0.000) 2.403 25.075 ( 3.545 -2.943 0.000) 4.608 25.178 ( 3.132 0.727 0.000) 3.215 25.283 ( 3.929 -4.293 0.000) 5.819 25.419 ( -5.883 4.226 0.000) 7.244 25.599 ( -2.191 -3.965 0.000) 4.530 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 6.393 11.127 0.000) 12.833 0.987 ( 8.280 8.165 0.000) 11.629 1.141 ( -0.823 0.857 0.000) 1.188 1.196 ( 0.407 3.613 0.000) 3.636 1.217 ( -0.242 3.377 0.000) 3.386 1.222 ( -0.500 3.150 0.000) 3.189 1.364 ( 4.773 -0.130 0.000) 4.774 1.382 ( 3.907 -6.150 0.000) 7.286 1.408 ( 1.262 -0.517 0.000) 1.364 1.463 ( 2.042 0.660 0.000) 2.146 1.476 ( 0.957 1.348 0.000) 1.653 1.494 ( 1.469 2.090 0.000) 2.555 1.523 ( 1.273 -2.338 0.000) 2.662 1.528 ( -0.341 -2.668 0.000) 2.690 1.592 ( 2.007 -1.848 0.000) 2.729 1.613 ( -0.449 -0.835 0.000) 0.948 1.638 ( 2.453 -0.627 0.000) 2.532 1.727 ( 2.495 -0.128 0.000) 2.498 1.730 ( 0.515 2.614 0.000) 2.664 1.742 ( 1.237 -1.797 0.000) 2.182 1.870 ( 5.593 9.869 0.000) 11.343 1.954 ( 3.397 -1.399 0.000) 3.674 2.063 ( 0.366 0.314 0.000) 0.482 2.092 ( -0.039 -0.285 0.000) 0.287 2.166 ( -0.261 -0.722 0.000) 0.768 2.202 ( -2.232 6.598 0.000) 6.966 2.282 ( 0.469 1.212 0.000) 1.299 2.297 ( 4.940 -2.433 0.000) 5.507 2.332 ( -1.042 1.618 0.000) 1.924 2.389 ( -0.095 1.086 0.000) 1.090 2.451 ( -4.694 0.701 0.000) 4.746 2.479 ( -2.447 2.460 0.000) 3.470 2.570 ( -0.823 -0.862 0.000) 1.192 2.577 ( 0.363 -2.817 0.000) 2.840 2.582 ( 0.209 -3.414 0.000) 3.421 2.622 ( -2.671 -3.798 0.000) 4.643 2.717 ( 0.544 4.977 0.000) 5.007 2.802 ( -2.862 3.671 0.000) 4.655 2.855 ( 1.210 -0.482 0.000) 1.302 2.873 ( 0.130 0.905 0.000) 0.915 3.030 ( -0.711 3.445 0.000) 3.517 3.032 ( -1.401 2.028 0.000) 2.465 3.082 ( 0.653 0.573 0.000) 0.868 3.098 ( 0.401 -0.242 0.000) 0.469 3.189 ( 1.633 0.251 0.000) 1.652 3.200 ( 0.685 2.174 0.000) 2.280 3.256 ( 0.795 -1.506 0.000) 1.703 3.364 ( -4.302 -8.114 0.000) 9.184 8.988 ( 1.461 0.292 0.000) 1.490 9.030 ( 1.875 -2.015 0.000) 2.753 9.036 ( -0.676 0.201 0.000) 0.705 9.091 ( -0.587 -2.672 0.000) 2.736 9.312 ( 1.042 3.883 0.000) 4.020 9.347 ( 0.352 3.357 0.000) 3.375 9.369 ( -1.549 2.165 0.000) 2.662 9.375 ( 0.058 1.158 0.000) 1.160 11.161 ( 0.981 0.644 0.000) 1.173 11.183 ( 2.169 -0.310 0.000) 2.191 11.201 ( -2.077 2.557 0.000) 3.295 11.306 ( -4.300 -1.920 0.000) 4.709 11.351 ( -1.418 1.848 0.000) 2.330 11.373 ( -2.842 2.253 0.000) 3.626 11.446 ( -2.015 -1.188 0.000) 2.340 11.447 ( -2.622 -0.281 0.000) 2.637 11.795 ( 3.094 1.766 0.000) 3.562 11.836 ( 1.721 0.191 0.000) 1.732 11.860 ( 3.275 -1.064 0.000) 3.443 11.922 ( 1.419 -3.137 0.000) 3.443 23.958 ( 0.113 0.052 0.000) 0.124 23.960 ( -0.099 0.233 0.000) 0.254 23.961 ( -0.022 -0.166 0.000) 0.168 23.967 ( -0.143 -0.074 0.000) 0.161 24.412 ( 0.626 1.008 0.000) 1.186 24.435 ( -0.158 0.474 0.000) 0.500 24.478 ( -0.420 -2.215 0.000) 2.254 24.481 ( -0.090 -1.750 0.000) 1.753 24.771 ( 2.717 3.630 0.000) 4.535 24.861 ( 6.376 0.512 0.000) 6.397 24.927 ( -3.372 4.815 0.000) 5.878 25.133 ( 0.223 -6.021 0.000) 6.025 25.235 ( 2.056 1.358 0.000) 2.464 25.282 ( -5.917 7.453 0.000) 9.516 25.384 ( 5.514 -4.796 0.000) 7.308 25.549 ( -2.730 -5.958 0.000) 6.554 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -4.546 7.371 0.000) 8.660 1.087 ( 4.546 7.371 0.000) 8.660 1.136 ( -5.979 6.625 0.000) 8.925 1.136 ( 5.979 6.625 0.000) 8.925 1.212 ( -0.131 1.959 0.000) 1.963 1.212 ( 0.131 1.959 0.000) 1.963 1.414 ( -2.269 -2.088 0.000) 3.084 1.414 ( 2.269 -2.088 0.000) 3.084 1.442 ( -1.917 -1.322 0.000) 2.329 1.442 ( 1.917 -1.322 0.000) 2.329 1.517 ( -0.411 0.720 0.000) 0.829 1.517 ( 0.411 0.720 0.000) 0.829 1.535 ( -0.748 -0.918 0.000) 1.184 1.535 ( 0.748 -0.918 0.000) 1.184 1.593 ( -0.487 -1.348 0.000) 1.434 1.593 ( 0.487 -1.348 0.000) 1.434 1.711 ( -2.661 -1.536 0.000) 3.072 1.711 ( 2.661 -1.536 0.000) 3.072 1.747 ( -1.302 -1.277 0.000) 1.824 1.747 ( 1.302 -1.277 0.000) 1.824 2.003 ( -3.675 1.877 0.000) 4.126 2.003 ( 3.675 1.877 0.000) 4.126 2.050 ( -0.358 4.781 0.000) 4.794 2.050 ( 0.358 4.781 0.000) 4.794 2.169 ( -1.302 5.489 0.000) 5.641 2.169 ( 1.302 5.489 0.000) 5.641 2.312 ( -1.381 0.840 0.000) 1.616 2.312 ( 1.381 0.840 0.000) 1.616 2.380 ( -1.983 -0.692 0.000) 2.101 2.380 ( 1.983 -0.692 0.000) 2.101 2.416 ( -3.853 0.179 0.000) 3.857 2.416 ( 3.853 0.179 0.000) 3.857 2.569 ( -1.021 -2.233 0.000) 2.456 2.569 ( 1.021 -2.233 0.000) 2.456 2.587 ( -0.601 -4.626 0.000) 4.665 2.587 ( 0.601 -4.626 0.000) 4.665 2.745 ( -2.394 5.182 0.000) 5.708 2.745 ( 2.394 5.182 0.000) 5.708 2.871 ( -0.407 -0.166 0.000) 0.440 2.871 ( 0.407 -0.166 0.000) 0.440 3.019 ( -0.110 2.620 0.000) 2.622 3.019 ( 0.110 2.619 0.000) 2.622 3.098 ( -0.489 -0.008 0.000) 0.489 3.098 ( 0.489 -0.008 0.000) 0.489 3.210 ( -0.133 1.251 0.000) 1.258 3.210 ( 0.133 1.251 0.000) 1.258 3.284 ( -2.824 -4.610 0.000) 5.407 3.284 ( 2.824 -4.610 0.000) 5.407 9.016 ( -1.287 0.278 0.000) 1.317 9.016 ( 1.287 0.278 0.000) 1.317 9.068 ( -1.715 -2.499 0.000) 3.031 9.068 ( 1.715 -2.499 0.000) 3.031 9.335 ( -1.232 3.326 0.000) 3.547 9.335 ( 1.232 3.326 0.000) 3.547 9.365 ( -0.777 2.192 0.000) 2.326 9.365 ( 0.777 2.192 0.000) 2.326 11.176 ( -0.658 1.488 0.000) 1.628 11.176 ( 0.658 1.488 0.000) 1.628 11.234 ( -2.965 -0.935 0.000) 3.108 11.234 ( 2.965 -0.935 0.000) 3.108 11.340 ( -0.440 1.896 0.000) 1.946 11.340 ( 0.440 1.896 0.000) 1.946 11.422 ( -0.171 -0.969 0.000) 0.984 11.422 ( 0.171 -0.969 0.000) 0.984 11.838 ( -1.089 0.898 0.000) 1.412 11.838 ( 1.089 0.898 0.000) 1.412 11.918 ( -1.803 -1.816 0.000) 2.559 11.918 ( 1.803 -1.816 0.000) 2.559 23.959 ( -0.002 0.085 0.000) 0.085 23.959 ( 0.002 0.085 0.000) 0.085 23.963 ( -0.192 -0.104 0.000) 0.218 23.963 ( 0.192 -0.104 0.000) 0.218 24.426 ( -0.669 0.757 0.000) 1.010 24.426 ( 0.669 0.757 0.000) 1.010 24.476 ( -0.216 -1.770 0.000) 1.783 24.476 ( 0.216 -1.770 0.000) 1.783 24.845 ( -4.367 4.912 0.000) 6.572 24.845 ( 4.367 4.912 0.000) 6.572 25.019 ( -8.726 -2.110 0.000) 8.978 25.019 ( 8.726 -2.110 0.000) 8.978 25.251 ( -0.286 3.702 0.000) 3.713 25.251 ( 0.286 3.702 0.000) 3.713 25.483 ( -4.126 -5.953 0.000) 7.243 25.483 ( 4.126 -5.953 0.000) 7.243 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 -9.461 0.000) 9.461 0.946 ( 0.000 9.461 0.000) 9.461 1.020 ( 0.000 -3.792 0.000) 3.792 1.020 ( 0.000 3.792 0.000) 3.792 1.257 ( 0.000 -1.522 0.000) 1.522 1.257 ( 0.000 1.522 0.000) 1.522 1.276 ( 0.000 -3.815 0.000) 3.815 1.276 ( 0.000 3.815 0.000) 3.815 1.356 ( 0.000 -2.878 0.000) 2.878 1.356 ( 0.000 2.878 0.000) 2.878 1.394 ( 0.000 -2.624 0.000) 2.624 1.394 ( 0.000 2.624 0.000) 2.624 1.429 ( 0.000 -0.572 0.000) 0.572 1.429 ( 0.000 0.572 0.000) 0.572 1.486 ( 0.000 -3.672 0.000) 3.672 1.486 ( 0.000 3.672 0.000) 3.672 1.750 ( 0.000 -1.115 0.000) 1.115 1.750 ( 0.000 1.115 0.000) 1.115 1.810 ( 0.000 -1.849 0.000) 1.849 1.810 ( 0.000 1.849 0.000) 1.849 1.861 ( 0.000 -4.229 0.000) 4.229 1.861 ( 0.000 4.229 0.000) 4.229 1.922 ( 0.000 -8.900 0.000) 8.900 1.922 ( 0.000 8.900 0.000) 8.900 2.145 ( 0.000 -2.822 0.000) 2.822 2.145 ( 0.000 2.822 0.000) 2.822 2.370 ( 0.000 -3.118 0.000) 3.118 2.370 ( 0.000 3.118 0.000) 3.118 2.421 ( 0.000 -0.409 0.000) 0.409 2.421 ( 0.000 0.409 0.000) 0.409 2.501 ( 0.000 -1.084 0.000) 1.084 2.501 ( 0.000 1.084 0.000) 1.084 2.574 ( 0.000 -1.420 0.000) 1.420 2.574 ( 0.000 1.420 0.000) 1.420 2.645 ( 0.000 -1.040 0.000) 1.040 2.645 ( 0.000 1.040 0.000) 1.040 2.764 ( 0.000 -2.872 0.000) 2.872 2.764 ( 0.000 2.872 0.000) 2.872 2.917 ( 0.000 -0.154 0.000) 0.154 2.917 ( 0.000 0.154 0.000) 0.154 3.067 ( 0.000 -2.064 0.000) 2.064 3.067 ( 0.000 2.064 0.000) 2.064 3.119 ( 0.000 -0.297 0.000) 0.297 3.119 ( 0.000 0.297 0.000) 0.297 3.214 ( 0.000 -1.285 0.000) 1.285 3.214 ( 0.000 1.285 0.000) 1.285 3.233 ( 0.000 -9.384 0.000) 9.384 3.233 ( 0.000 9.384 0.000) 9.384 8.966 ( 0.000 -0.933 0.000) 0.933 8.966 ( 0.000 0.933 0.000) 0.933 9.056 ( 0.000 -1.152 0.000) 1.152 9.056 ( 0.000 1.152 0.000) 1.152 9.340 ( 0.000 -1.588 0.000) 1.588 9.340 ( 0.000 1.588 0.000) 1.588 9.406 ( 0.000 -1.848 0.000) 1.848 9.406 ( 0.000 1.848 0.000) 1.848 11.134 ( 0.000 -0.433 0.000) 0.433 11.134 ( 0.000 0.433 0.000) 0.433 11.346 ( 0.000 -3.965 0.000) 3.965 11.346 ( 0.000 3.965 0.000) 3.965 11.502 ( 0.000 -3.248 0.000) 3.248 11.502 ( 0.000 3.248 0.000) 3.248 11.548 ( 0.000 -3.445 0.000) 3.445 11.548 ( 0.000 3.445 0.000) 3.445 11.733 ( 0.000 -3.281 0.000) 3.281 11.733 ( 0.000 3.281 0.000) 3.281 11.736 ( 0.000 -4.101 0.000) 4.101 11.736 ( 0.000 4.101 0.000) 4.101 23.958 ( 0.000 -0.113 0.000) 0.113 23.958 ( 0.000 0.113 0.000) 0.113 23.968 ( 0.000 -0.102 0.000) 0.102 23.968 ( 0.000 0.102 0.000) 0.102 24.436 ( 0.000 -0.852 0.000) 0.852 24.436 ( 0.000 0.852 0.000) 0.852 24.442 ( 0.000 -2.709 0.000) 2.709 24.442 ( 0.000 2.709 0.000) 2.709 24.775 ( 0.000 -0.158 0.000) 0.158 24.775 ( 0.000 0.158 0.000) 0.158 24.993 ( 0.000 -1.633 0.000) 1.633 24.993 ( 0.000 1.633 0.000) 1.633 25.172 ( 0.000 -2.603 0.000) 2.603 25.172 ( 0.000 2.603 0.000) 2.603 25.559 ( 0.000 -3.856 0.000) 3.856 25.559 ( 0.000 3.856 0.000) 3.856 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 4.818 -7.941 0.000) 9.288 0.997 ( 4.818 7.941 0.000) 9.288 1.072 ( 4.794 -7.649 0.000) 9.027 1.072 ( 4.794 7.649 0.000) 9.027 1.261 ( 0.222 -2.581 0.000) 2.591 1.261 ( 0.222 2.581 0.000) 2.591 1.302 ( 0.947 -3.691 0.000) 3.810 1.302 ( 0.947 3.691 0.000) 3.810 1.412 ( 5.900 -2.959 0.000) 6.600 1.412 ( 5.900 2.959 0.000) 6.600 1.421 ( 1.835 -3.946 0.000) 4.351 1.421 ( 1.835 3.946 0.000) 4.351 1.441 ( 1.156 -1.143 0.000) 1.625 1.441 ( 1.156 1.143 0.000) 1.625 1.514 ( 2.843 -3.454 0.000) 4.473 1.514 ( 2.843 3.454 0.000) 4.473 1.732 ( -1.282 -0.153 0.000) 1.291 1.732 ( -1.282 0.153 0.000) 1.291 1.773 ( -3.313 -4.176 0.000) 5.330 1.773 ( -3.313 4.176 0.000) 5.330 1.904 ( 4.095 -6.507 0.000) 7.689 1.904 ( 4.095 6.507 0.000) 7.689 1.958 ( 3.172 -7.555 0.000) 8.194 1.958 ( 3.172 7.555 0.000) 8.194 2.166 ( 1.937 -3.866 0.000) 4.324 2.166 ( 1.937 3.866 0.000) 4.324 2.325 ( -3.392 -2.171 0.000) 4.027 2.325 ( -3.392 2.171 0.000) 4.027 2.404 ( -1.461 -1.158 0.000) 1.864 2.404 ( -1.461 1.158 0.000) 1.864 2.513 ( 0.574 -1.989 0.000) 2.070 2.513 ( 0.574 1.989 0.000) 2.070 2.572 ( -0.292 -0.965 0.000) 1.008 2.572 ( -0.292 0.965 0.000) 1.008 2.616 ( -2.878 -2.608 0.000) 3.883 2.616 ( -2.878 2.608 0.000) 3.884 2.781 ( 1.412 -3.379 0.000) 3.662 2.781 ( 1.412 3.379 0.000) 3.662 2.896 ( -1.615 -0.671 0.000) 1.749 2.896 ( -1.615 0.671 0.000) 1.749 3.081 ( 0.944 -1.595 0.000) 1.853 3.081 ( 0.944 1.595 0.000) 1.853 3.097 ( -1.729 -0.585 0.000) 1.825 3.097 ( -1.729 0.585 0.000) 1.825 3.224 ( 0.720 -1.232 0.000) 1.427 3.224 ( 0.720 1.232 0.000) 1.427 3.232 ( -0.208 -8.516 0.000) 8.518 3.232 ( -0.208 8.516 0.000) 8.518 8.975 ( 0.909 -0.933 0.000) 1.302 8.975 ( 0.909 0.933 0.000) 1.302 9.056 ( -0.025 -1.276 0.000) 1.276 9.056 ( -0.025 1.276 0.000) 1.276 9.351 ( 0.927 -1.787 0.000) 2.014 9.351 ( 0.927 1.787 0.000) 2.014 9.399 ( -0.615 -1.484 0.000) 1.607 9.399 ( -0.615 1.484 0.000) 1.607 11.146 ( 1.108 -0.345 0.000) 1.160 11.146 ( 1.108 0.345 0.000) 1.160 11.318 ( -2.682 -3.719 0.000) 4.585 11.318 ( -2.682 3.719 0.000) 4.585 11.454 ( -3.290 -3.019 0.000) 4.466 11.454 ( -3.290 3.019 0.000) 4.466 11.496 ( -4.048 -2.469 0.000) 4.742 11.496 ( -4.048 2.469 0.000) 4.742 11.779 ( 3.496 -1.504 0.000) 3.806 11.779 ( 3.496 1.504 0.000) 3.806 11.788 ( 3.832 -4.075 0.000) 5.594 11.788 ( 3.832 4.075 0.000) 5.594 23.958 ( 0.010 -0.122 0.000) 0.123 23.958 ( 0.010 0.122 0.000) 0.123 23.967 ( -0.103 -0.153 0.000) 0.185 23.967 ( -0.103 0.153 0.000) 0.185 24.439 ( -0.195 -2.348 0.000) 2.356 24.439 ( -0.195 2.348 0.000) 2.356 24.444 ( 0.615 -1.063 0.000) 1.228 24.444 ( 0.615 1.063 0.000) 1.228 24.783 ( 1.152 -1.102 0.000) 1.595 24.783 ( 1.152 1.102 0.000) 1.595 25.015 ( 1.654 -2.807 0.000) 3.258 25.015 ( 1.654 2.807 0.000) 3.258 25.212 ( 3.610 -2.786 0.000) 4.560 25.212 ( 3.610 2.786 0.000) 4.560 25.513 ( -4.133 -4.816 0.000) 6.346 25.513 ( -4.133 4.816 0.000) 6.346 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 5.357 -4.030 0.000) 6.704 1.109 ( 5.357 4.030 0.000) 6.704 1.171 ( 3.496 -7.721 0.000) 8.475 1.171 ( 3.496 7.721 0.000) 8.475 1.274 ( 1.847 -2.500 0.000) 3.108 1.274 ( 1.847 2.500 0.000) 3.108 1.312 ( 0.473 -5.228 0.000) 5.250 1.312 ( 0.473 5.228 0.000) 5.250 1.442 ( 0.307 -4.143 0.000) 4.155 1.442 ( 0.307 4.143 0.000) 4.155 1.460 ( 0.492 -2.582 0.000) 2.629 1.460 ( 0.492 2.582 0.000) 2.629 1.539 ( 4.945 -3.122 0.000) 5.849 1.539 ( 4.945 3.122 0.000) 5.849 1.568 ( 1.482 -3.582 0.000) 3.877 1.568 ( 1.482 3.582 0.000) 3.877 1.704 ( -2.552 -5.093 0.000) 5.697 1.704 ( -2.552 5.093 0.000) 5.697 1.720 ( 0.012 -0.250 0.000) 0.250 1.720 ( 0.012 0.250 0.000) 0.250 2.008 ( 5.261 -6.883 0.000) 8.663 2.008 ( 5.261 6.883 0.000) 8.663 2.025 ( 2.961 -4.839 0.000) 5.673 2.025 ( 2.961 4.839 0.000) 5.673 2.221 ( 3.790 -4.924 0.000) 6.214 2.221 ( 3.790 4.924 0.000) 6.214 2.280 ( -0.398 -1.575 0.000) 1.624 2.280 ( -0.398 1.575 0.000) 1.624 2.373 ( -1.485 -2.069 0.000) 2.547 2.373 ( -1.485 2.069 0.000) 2.547 2.490 ( -4.223 -2.792 0.000) 5.063 2.490 ( -4.223 2.792 0.000) 5.063 2.554 ( -1.749 -2.380 0.000) 2.953 2.554 ( -1.749 2.380 0.000) 2.953 2.560 ( -0.885 -0.396 0.000) 0.969 2.560 ( -0.885 0.396 0.000) 0.969 2.809 ( 1.298 -3.937 0.000) 4.145 2.809 ( 1.298 3.937 0.000) 4.145 2.863 ( -1.582 -2.009 0.000) 2.557 2.863 ( -1.582 2.009 0.000) 2.557 3.070 ( -0.691 -1.616 0.000) 1.757 3.070 ( -0.691 1.616 0.000) 1.757 3.090 ( -0.208 -1.659 0.000) 1.672 3.090 ( -0.208 1.659 0.000) 1.672 3.226 ( -0.270 -4.985 0.000) 4.992 3.226 ( -0.270 4.985 0.000) 4.992 3.232 ( 0.014 -1.160 0.000) 1.160 3.232 ( 0.014 1.160 0.000) 1.160 9.000 ( 1.525 -1.034 0.000) 1.842 9.000 ( 1.525 1.034 0.000) 1.842 9.051 ( -0.603 -1.404 0.000) 1.528 9.051 ( -0.603 1.404 0.000) 1.528 9.369 ( 0.701 -1.710 0.000) 1.848 9.369 ( 0.701 1.710 0.000) 1.848 9.386 ( -0.554 -0.552 0.000) 0.782 9.386 ( -0.554 0.552 0.000) 0.782 11.174 ( 1.642 -0.611 0.000) 1.752 11.174 ( 1.642 0.611 0.000) 1.752 11.256 ( -2.992 -2.885 0.000) 4.156 11.256 ( -2.992 2.885 0.000) 4.156 11.402 ( -1.837 -2.882 0.000) 3.417 11.402 ( -1.837 2.882 0.000) 3.417 11.419 ( -3.096 -2.215 0.000) 3.807 11.419 ( -3.096 2.215 0.000) 3.807 11.844 ( 2.594 -0.692 0.000) 2.684 11.844 ( 2.594 0.692 0.000) 2.684 11.853 ( 2.311 -3.657 0.000) 4.327 11.853 ( 2.311 3.657 0.000) 4.327 23.959 ( 0.056 -0.076 0.000) 0.094 23.959 ( 0.056 0.076 0.000) 0.094 23.964 ( -0.169 -0.185 0.000) 0.250 23.964 ( -0.169 0.185 0.000) 0.250 24.439 ( 0.188 -1.694 0.000) 1.704 24.439 ( 0.188 1.694 0.000) 1.704 24.452 ( 0.030 -1.207 0.000) 1.208 24.452 ( 0.030 1.207 0.000) 1.208 24.835 ( 4.246 -2.715 0.000) 5.040 24.835 ( 4.246 2.715 0.000) 5.040 25.022 ( -1.824 -5.179 0.000) 5.490 25.022 ( -1.824 5.179 0.000) 5.490 25.293 ( 3.999 -4.182 0.000) 5.786 25.293 ( 3.999 4.182 0.000) 5.786 25.424 ( -3.958 -6.878 0.000) 7.935 25.424 ( -3.958 6.878 0.000) 7.935 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -1.775 -1.502 0.000) 2.325 1.182 ( 1.775 -1.502 0.000) 2.325 1.182 ( -1.775 1.502 0.000) 2.325 1.182 ( 1.775 1.502 0.000) 2.325 1.317 ( -0.786 -7.187 0.000) 7.230 1.317 ( 0.786 -7.187 0.000) 7.230 1.317 ( -0.786 7.187 0.000) 7.230 1.317 ( 0.786 7.187 0.000) 7.230 1.450 ( -0.972 -3.264 0.000) 3.406 1.450 ( 0.972 -3.264 0.000) 3.406 1.450 ( -0.972 3.264 0.000) 3.406 1.450 ( 0.972 3.264 0.000) 3.406 1.578 ( -0.011 -1.635 0.000) 1.635 1.578 ( 0.011 -1.635 0.000) 1.635 1.578 ( -0.011 1.635 0.000) 1.635 1.578 ( 0.011 1.635 0.000) 1.635 1.705 ( -1.611 -1.711 0.000) 2.350 1.705 ( 1.611 -1.711 0.000) 2.350 1.705 ( -1.611 1.711 0.000) 2.350 1.705 ( 1.611 1.711 0.000) 2.350 2.061 ( -0.179 -3.188 0.000) 3.193 2.061 ( 0.179 -3.188 0.000) 3.193 2.061 ( -0.179 3.188 0.000) 3.193 2.061 ( 0.179 3.188 0.000) 3.193 2.294 ( -0.442 -4.272 0.000) 4.295 2.294 ( 0.442 -4.272 0.000) 4.295 2.294 ( -0.442 4.272 0.000) 4.295 2.294 ( 0.442 4.272 0.000) 4.295 2.377 ( -4.448 -2.010 0.000) 4.881 2.377 ( -4.448 2.010 0.000) 4.881 2.377 ( 4.448 -2.010 0.000) 4.881 2.377 ( 4.448 2.010 0.000) 4.881 2.545 ( -0.326 -0.318 0.000) 0.455 2.545 ( 0.326 -0.318 0.000) 0.455 2.545 ( -0.326 0.318 0.000) 0.455 2.545 ( 0.326 0.318 0.000) 0.455 2.834 ( -1.308 -3.479 0.000) 3.717 2.834 ( 1.308 -3.479 0.000) 3.717 2.834 ( -1.308 3.479 0.000) 3.717 2.834 ( 1.308 3.479 0.000) 3.717 3.075 ( -0.975 -2.614 0.000) 2.790 3.075 ( 0.975 -2.614 0.000) 2.790 3.075 ( -0.975 2.614 0.000) 2.790 3.075 ( 0.975 2.614 0.000) 2.790 3.227 ( -0.370 -1.179 0.000) 1.236 3.227 ( 0.370 -1.179 0.000) 1.236 3.227 ( -0.370 1.179 0.000) 1.236 3.227 ( 0.370 1.179 0.000) 1.236 9.031 ( -1.394 -1.282 0.000) 1.894 9.031 ( 1.394 -1.282 0.000) 1.894 9.031 ( -1.394 1.282 0.000) 1.894 9.031 ( 1.394 1.282 0.000) 1.894 9.378 ( -0.306 -0.880 0.000) 0.932 9.378 ( 0.306 -0.880 0.000) 0.932 9.378 ( -0.306 0.880 0.000) 0.932 9.378 ( 0.306 0.880 0.000) 0.932 11.208 ( -1.850 -1.589 0.000) 2.439 11.208 ( 1.850 -1.589 0.000) 2.439 11.208 ( -1.850 1.589 0.000) 2.439 11.208 ( 1.850 1.589 0.000) 2.439 11.385 ( -0.313 -2.465 0.000) 2.484 11.385 ( 0.313 -2.465 0.000) 2.484 11.385 ( -0.313 2.465 0.000) 2.484 11.385 ( 0.313 2.465 0.000) 2.484 11.874 ( -0.300 -2.409 0.000) 2.428 11.874 ( 0.300 -2.409 0.000) 2.428 11.874 ( -0.300 2.409 0.000) 2.428 11.874 ( 0.300 2.409 0.000) 2.428 23.961 ( -0.136 -0.104 0.000) 0.171 23.961 ( 0.136 -0.104 0.000) 0.171 23.961 ( -0.136 0.104 0.000) 0.171 23.961 ( 0.136 0.104 0.000) 0.171 24.446 ( -0.453 -1.280 0.000) 1.357 24.446 ( 0.453 -1.280 0.000) 1.357 24.446 ( -0.453 1.280 0.000) 1.357 24.446 ( 0.453 1.280 0.000) 1.357 24.940 ( -5.585 -4.847 0.000) 7.395 24.940 ( 5.585 -4.847 0.000) 7.395 24.940 ( -5.585 4.847 0.000) 7.395 24.940 ( 5.585 4.847 0.000) 7.395 25.361 ( -2.852 -6.366 0.000) 6.976 25.361 ( 2.852 -6.366 0.000) 6.976 25.361 ( -2.852 6.366 0.000) 6.976 25.361 ( 2.852 6.366 0.000) 6.976 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.000 0.000 12.706) 12.706 0.346 ( 0.000 0.000 14.662) 14.662 0.609 ( 0.000 0.000 23.199) 23.199 0.781 ( 0.000 0.000 -8.171) 8.171 0.860 ( 0.000 0.000 -1.840) 1.840 1.167 ( 0.000 0.000 1.202) 1.202 1.175 ( 0.000 0.000 3.690) 3.690 1.192 ( 0.000 0.000 0.580) 0.580 1.335 ( 0.000 0.000 -5.083) 5.083 1.412 ( 0.000 0.000 1.403) 1.403 1.454 ( 0.000 0.000 -1.744) 1.744 1.466 ( 0.000 0.000 0.798) 0.798 1.480 ( 0.000 0.000 3.841) 3.841 1.481 ( 0.000 0.000 -1.462) 1.462 1.530 ( 0.000 0.000 5.213) 5.213 1.576 ( 0.000 0.000 -1.261) 1.261 1.644 ( 0.000 0.000 -0.273) 0.273 1.649 ( 0.000 0.000 -1.520) 1.520 1.706 ( 0.000 0.000 -5.325) 5.325 1.750 ( 0.000 0.000 -2.242) 2.242 1.752 ( 0.000 0.000 -1.275) 1.275 1.867 ( 0.000 0.000 -7.529) 7.529 1.882 ( 0.000 0.000 0.926) 0.926 1.995 ( 0.000 0.000 -2.538) 2.538 2.156 ( 0.000 0.000 3.215) 3.215 2.165 ( 0.000 0.000 3.079) 3.079 2.248 ( 0.000 0.000 -0.111) 0.111 2.326 ( 0.000 0.000 -2.465) 2.465 2.380 ( 0.000 0.000 -0.731) 0.731 2.429 ( 0.000 0.000 -3.012) 3.012 2.509 ( 0.000 0.000 0.342) 0.342 2.547 ( 0.000 0.000 4.901) 4.901 2.570 ( 0.000 0.000 -1.325) 1.325 2.587 ( 0.000 0.000 2.463) 2.463 2.651 ( 0.000 0.000 -0.515) 0.515 2.681 ( 0.000 0.000 -0.273) 0.273 2.718 ( 0.000 0.000 -2.698) 2.698 2.748 ( 0.000 0.000 -1.712) 1.712 2.835 ( 0.000 0.000 -0.345) 0.345 2.844 ( 0.000 0.000 1.642) 1.642 2.881 ( 0.000 0.000 -0.331) 0.331 2.889 ( 0.000 0.000 -1.679) 1.679 2.968 ( 0.000 0.000 2.224) 2.224 3.045 ( 0.000 0.000 2.522) 2.522 3.053 ( 0.000 0.000 -1.188) 1.188 3.180 ( 0.000 0.000 -2.623) 2.623 3.395 ( 0.000 0.000 9.159) 9.159 3.776 ( 0.000 0.000 -5.323) 5.323 8.970 ( 0.000 0.000 1.188) 1.188 9.052 ( 0.000 0.000 -2.148) 2.148 9.089 ( 0.000 0.000 0.212) 0.212 9.099 ( 0.000 0.000 -0.152) 0.152 9.168 ( 0.000 0.000 2.638) 2.638 9.228 ( 0.000 0.000 0.017) 0.017 9.229 ( 0.000 0.000 -0.033) 0.033 9.269 ( 0.000 0.000 -1.373) 1.373 11.251 ( 0.000 0.000 0.015) 0.015 11.252 ( 0.000 0.000 -0.003) 0.003 11.254 ( 0.000 0.000 1.833) 1.833 11.359 ( 0.000 0.000 -1.834) 1.834 11.391 ( 0.000 0.000 0.100) 0.100 11.396 ( 0.000 0.000 -0.093) 0.093 11.404 ( 0.000 0.000 0.867) 0.867 11.457 ( 0.000 0.000 -0.920) 0.920 11.644 ( 0.000 0.000 -1.362) 1.362 11.646 ( 0.000 0.000 -1.005) 1.005 11.871 ( 0.000 0.000 3.092) 3.092 11.979 ( 0.000 0.000 -1.118) 1.118 23.961 ( 0.000 0.000 0.118) 0.118 23.964 ( 0.000 0.000 -0.006) 0.006 23.970 ( 0.000 0.000 -0.056) 0.056 23.972 ( 0.000 0.000 -0.106) 0.106 24.401 ( 0.000 0.000 2.089) 2.089 24.529 ( 0.000 0.000 -2.541) 2.541 24.566 ( 0.000 0.000 0.055) 0.055 24.572 ( 0.000 0.000 -0.213) 0.213 24.586 ( 0.000 0.000 0.401) 0.401 24.603 ( 0.000 0.000 -0.250) 0.250 24.935 ( 0.000 0.000 2.035) 2.035 25.057 ( 0.000 0.000 -3.172) 3.172 25.220 ( 0.000 0.000 4.084) 4.084 25.393 ( 0.000 0.000 -3.204) 3.204 25.491 ( 0.000 0.000 1.102) 1.102 25.520 ( 0.000 0.000 -0.296) 0.296 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 10.012 0.000 9.000) 13.462 0.437 ( 8.358 0.000 11.186) 13.963 0.823 ( 3.742 0.000 -6.626) 7.610 0.828 ( 15.570 0.000 8.050) 17.528 0.924 ( 7.922 0.000 5.759) 9.794 1.116 ( -3.208 0.000 0.034) 3.208 1.187 ( 0.466 0.000 1.420) 1.495 1.218 ( 0.572 0.000 -1.318) 1.437 1.333 ( -0.789 0.000 -4.472) 4.541 1.379 ( -2.386 0.000 3.232) 4.017 1.456 ( -1.158 0.000 1.336) 1.768 1.460 ( -0.038 0.000 0.966) 0.966 1.491 ( -1.422 0.000 3.817) 4.073 1.513 ( 3.644 0.000 -1.126) 3.814 1.520 ( 2.002 0.000 0.900) 2.196 1.623 ( 4.279 0.000 -0.866) 4.365 1.640 ( -0.857 0.000 -1.425) 1.663 1.656 ( 1.415 0.000 -0.281) 1.442 1.731 ( 0.364 0.000 -0.850) 0.925 1.749 ( 1.986 0.000 -4.383) 4.811 1.773 ( 1.762 0.000 -2.811) 3.318 1.889 ( 1.769 0.000 -7.176) 7.391 1.890 ( 0.784 0.000 1.221) 1.451 1.987 ( -0.710 0.000 -0.923) 1.164 2.173 ( 1.618 0.000 1.499) 2.206 2.190 ( 1.770 0.000 1.434) 2.279 2.245 ( -5.845 0.000 -0.073) 5.845 2.255 ( 0.543 0.000 -0.489) 0.730 2.376 ( -0.471 0.000 1.548) 1.618 2.449 ( -2.773 0.000 0.490) 2.816 2.499 ( -2.977 0.000 1.645) 3.401 2.500 ( -0.696 0.000 0.577) 0.904 2.534 ( -5.807 0.000 1.037) 5.898 2.548 ( -1.063 0.000 1.175) 1.584 2.617 ( -0.532 0.000 3.858) 3.895 2.627 ( 2.601 0.000 -0.030) 2.601 2.720 ( 0.184 0.000 -2.594) 2.601 2.777 ( 1.993 0.000 -1.892) 2.747 2.832 ( -0.314 0.000 -0.259) 0.407 2.839 ( 0.306 0.000 2.386) 2.406 2.875 ( -1.219 0.000 -1.172) 1.691 2.976 ( 0.783 0.000 1.573) 1.757 2.984 ( 1.812 0.000 -1.348) 2.258 3.048 ( -0.508 0.000 -1.051) 1.167 3.076 ( 3.694 0.000 0.850) 3.790 3.205 ( 2.706 0.000 -2.244) 3.515 3.356 ( -3.031 0.000 8.916) 9.417 3.753 ( -3.559 0.000 -7.810) 8.582 8.982 ( 1.126 0.000 1.213) 1.655 9.063 ( 0.762 0.000 -1.924) 2.069 9.098 ( 0.905 0.000 0.193) 0.925 9.108 ( 0.825 0.000 -0.141) 0.837 9.174 ( 0.195 0.000 3.031) 3.037 9.219 ( -0.870 0.000 0.004) 0.870 9.220 ( -0.938 0.000 -0.015) 0.938 9.277 ( 0.349 0.000 -1.109) 1.162 11.184 ( -3.998 0.000 2.681) 4.814 11.259 ( 0.696 0.000 0.028) 0.697 11.260 ( 0.765 0.000 -0.018) 0.765 11.294 ( -4.356 0.000 -1.627) 4.651 11.298 ( -2.570 0.000 4.801) 5.446 11.384 ( -0.662 0.000 0.102) 0.670 11.389 ( -0.662 0.000 -0.093) 0.669 11.481 ( -3.901 0.000 -3.186) 5.037 11.647 ( 4.251 0.000 1.382) 4.470 11.753 ( 4.543 0.000 -2.366) 5.122 11.935 ( 2.636 0.000 -2.676) 3.756 11.982 ( 0.293 0.000 -1.525) 1.553 23.956 ( -0.207 0.000 0.228) 0.308 23.965 ( -0.092 0.000 0.242) 0.259 23.971 ( 0.091 0.000 -0.327) 0.340 23.973 ( 0.028 0.000 -0.152) 0.154 24.408 ( 0.783 0.000 2.292) 2.422 24.533 ( 0.141 0.000 -1.679) 1.685 24.568 ( 0.192 0.000 0.047) 0.198 24.573 ( 0.131 0.000 -0.185) 0.227 24.586 ( -0.056 0.000 0.364) 0.369 24.601 ( -0.186 0.000 -0.233) 0.298 24.746 ( -7.616 0.000 11.039) 13.411 25.037 ( -2.908 0.000 -4.035) 4.974 25.261 ( 3.759 0.000 4.146) 5.597 25.427 ( 3.624 0.000 -1.892) 4.089 25.471 ( -1.216 0.000 1.322) 1.796 25.696 ( 6.610 0.000 -10.067) 12.043 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 10.742 0.000 5.779) 12.198 0.637 ( 10.806 0.000 5.565) 12.155 0.890 ( 1.110 0.000 -0.662) 1.293 0.944 ( -0.280 0.000 -2.158) 2.176 1.062 ( -1.103 0.000 -4.238) 4.379 1.173 ( -0.753 0.000 -4.392) 4.457 1.188 ( -3.545 0.000 -4.736) 5.916 1.259 ( 6.786 0.000 0.695) 6.822 1.306 ( 10.042 0.000 5.162) 11.291 1.356 ( 0.420 0.000 5.108) 5.125 1.426 ( -1.903 0.000 1.882) 2.676 1.466 ( 1.658 0.000 4.594) 4.884 1.499 ( 0.952 0.000 3.195) 3.334 1.558 ( 1.770 0.000 0.356) 1.806 1.596 ( 3.907 0.000 -0.729) 3.975 1.618 ( -1.254 0.000 -1.100) 1.669 1.679 ( 0.572 0.000 -0.897) 1.064 1.709 ( 3.304 0.000 -1.525) 3.639 1.755 ( 0.713 0.000 -2.413) 2.516 1.769 ( -0.087 0.000 -1.570) 1.573 1.797 ( 1.542 0.000 -1.594) 2.218 1.913 ( 1.397 0.000 1.871) 2.335 1.968 ( -1.129 0.000 1.256) 1.689 1.987 ( 6.078 0.000 -6.571) 8.951 2.080 ( -8.404 0.000 3.421) 9.074 2.212 ( 2.040 0.000 -0.812) 2.196 2.229 ( 1.284 0.000 -1.106) 1.695 2.261 ( -0.079 0.000 -1.329) 1.331 2.340 ( -3.598 0.000 1.762) 4.006 2.362 ( -4.652 0.000 0.265) 4.659 2.452 ( -0.775 0.000 2.056) 2.197 2.460 ( -2.161 0.000 1.368) 2.558 2.493 ( 0.105 0.000 1.387) 1.391 2.527 ( -1.102 0.000 1.811) 2.121 2.678 ( 2.396 0.000 -1.093) 2.634 2.681 ( 4.822 0.000 3.000) 5.679 2.724 ( 0.101 0.000 -2.403) 2.406 2.805 ( 1.243 0.000 -0.626) 1.392 2.824 ( -0.361 0.000 -0.013) 0.361 2.827 ( -0.952 0.000 3.348) 3.481 2.846 ( -1.493 0.000 -0.513) 1.579 2.973 ( -2.414 0.000 3.420) 4.186 2.995 ( 1.012 0.000 0.635) 1.195 3.034 ( -0.849 0.000 -0.672) 1.083 3.159 ( 3.816 0.000 -0.311) 3.828 3.270 ( -0.169 0.000 2.964) 2.969 3.309 ( 2.827 0.000 -1.683) 3.290 3.631 ( -8.153 0.000 -7.677) 11.198 9.010 ( 1.548 0.000 1.224) 1.973 9.067 ( -0.642 0.000 -0.432) 0.774 9.123 ( 1.565 0.000 0.145) 1.571 9.131 ( 1.432 0.000 -0.112) 1.437 9.188 ( 1.583 0.000 2.205) 2.714 9.194 ( -1.601 0.000 0.028) 1.601 9.195 ( -1.473 0.000 -0.026) 1.474 9.269 ( -1.205 0.000 -0.543) 1.322 11.159 ( 1.004 0.000 1.250) 1.603 11.241 ( -0.734 0.000 -1.359) 1.544 11.252 ( -2.258 0.000 3.146) 3.872 11.276 ( 0.989 0.000 0.046) 0.990 11.279 ( 0.994 0.000 -0.038) 0.995 11.367 ( -0.871 0.000 0.091) 0.875 11.371 ( -5.898 0.000 -1.287) 6.037 11.372 ( -0.976 0.000 -0.078) 0.979 11.748 ( 4.809 0.000 -0.203) 4.813 11.817 ( 1.824 0.000 -2.082) 2.768 11.953 ( 0.058 0.000 -1.609) 1.610 11.979 ( -0.851 0.000 -1.886) 2.069 23.955 ( 0.087 0.000 0.106) 0.137 23.962 ( -0.162 0.000 0.121) 0.202 23.972 ( 0.007 0.000 -0.305) 0.305 23.973 ( 0.006 0.000 -0.260) 0.260 24.433 ( 1.651 0.000 2.942) 3.374 24.516 ( -1.886 0.000 2.865) 3.430 24.573 ( 0.234 0.000 0.051) 0.240 24.577 ( 0.162 0.000 -0.086) 0.183 24.585 ( 0.015 0.000 0.212) 0.213 24.596 ( -0.329 0.000 -0.184) 0.377 24.706 ( 2.540 0.000 3.173) 4.064 24.938 ( -6.486 0.000 -3.765) 7.500 25.344 ( 3.840 0.000 2.942) 4.838 25.442 ( -1.456 0.000 2.708) 3.074 25.537 ( 6.583 0.000 -2.353) 6.991 25.737 ( -1.440 0.000 -6.958) 7.106 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -7.586 0.000 4.032) 8.591 0.816 ( 7.586 0.000 4.032) 8.591 0.841 ( -8.857 0.000 2.112) 9.105 0.841 ( 8.857 0.000 2.112) 9.105 1.104 ( -4.142 0.000 -6.059) 7.339 1.104 ( 4.142 0.000 -6.059) 7.339 1.202 ( -3.272 0.000 -6.978) 7.706 1.202 ( 3.272 0.000 -6.978) 7.706 1.384 ( -2.034 0.000 3.257) 3.840 1.384 ( 2.034 0.000 3.257) 3.840 1.495 ( -0.624 0.000 4.266) 4.312 1.495 ( 0.624 0.000 4.266) 4.312 1.590 ( -1.500 0.000 -0.454) 1.567 1.590 ( 1.500 0.000 -0.454) 1.567 1.626 ( -5.536 0.000 0.708) 5.581 1.626 ( 5.536 0.000 0.708) 5.581 1.698 ( -4.836 0.000 1.890) 5.192 1.698 ( 4.836 0.000 1.890) 5.192 1.756 ( -0.516 0.000 -1.569) 1.651 1.756 ( 0.516 0.000 -1.569) 1.651 1.854 ( -5.638 0.000 2.083) 6.011 1.854 ( 5.638 0.000 2.083) 6.011 1.942 ( -1.468 0.000 2.128) 2.585 1.942 ( 1.468 0.000 2.128) 2.585 2.189 ( -7.815 0.000 -6.089) 9.907 2.189 ( 7.815 0.000 -6.089) 9.907 2.247 ( -1.317 0.000 -1.703) 2.153 2.247 ( 1.317 0.000 -1.703) 2.153 2.292 ( -2.166 0.000 1.597) 2.692 2.292 ( 2.166 0.000 1.597) 2.692 2.443 ( -0.197 0.000 2.136) 2.145 2.443 ( 0.197 0.000 2.136) 2.145 2.505 ( -0.997 0.000 1.902) 2.148 2.505 ( 0.997 0.000 1.902) 2.148 2.716 ( -1.152 0.000 -1.984) 2.294 2.716 ( 1.152 0.000 -1.984) 2.294 2.768 ( -3.387 0.000 2.408) 4.155 2.768 ( 3.387 0.000 2.408) 4.155 2.824 ( -0.542 0.000 0.001) 0.542 2.824 ( 0.542 0.000 0.001) 0.542 2.889 ( -5.184 0.000 4.470) 6.845 2.889 ( 5.184 0.000 4.470) 6.845 3.015 ( -1.003 0.000 -0.108) 1.009 3.015 ( 1.003 0.000 -0.108) 1.009 3.221 ( -2.665 0.000 1.452) 3.035 3.221 ( 2.665 0.000 1.452) 3.035 3.453 ( -8.928 0.000 -6.439) 11.007 3.453 ( 8.928 0.000 -6.439) 11.007 9.042 ( -1.600 0.000 0.983) 1.878 9.042 ( 1.600 0.000 0.983) 1.878 9.156 ( -0.989 0.000 0.030) 0.989 9.156 ( 0.989 0.000 0.030) 0.989 9.165 ( -0.842 0.000 -0.014) 0.842 9.165 ( 0.842 0.000 -0.014) 0.842 9.232 ( -2.355 0.000 0.328) 2.378 9.232 ( 2.355 0.000 0.328) 2.378 11.200 ( -2.594 0.000 1.490) 2.991 11.200 ( 2.594 0.000 1.490) 2.991 11.272 ( -3.521 0.000 -0.750) 3.600 11.272 ( 3.521 0.000 -0.750) 3.600 11.290 ( -0.112 0.000 0.006) 0.112 11.290 ( 0.112 0.000 0.006) 0.112 11.358 ( -0.174 0.000 0.005) 0.174 11.358 ( 0.174 0.000 0.005) 0.174 11.818 ( -1.865 0.000 -1.651) 2.491 11.818 ( 1.865 0.000 -1.651) 2.491 11.958 ( -0.736 0.000 -1.147) 1.363 11.958 ( 0.736 0.000 -1.147) 1.363 23.958 ( -0.200 0.000 0.007) 0.200 23.958 ( 0.200 0.000 0.007) 0.200 23.973 ( -0.054 0.000 -0.272) 0.277 23.973 ( 0.054 0.000 -0.272) 0.277 24.472 ( -2.214 0.000 3.780) 4.381 24.472 ( 2.214 0.000 3.780) 4.381 24.577 ( -0.137 0.000 0.076) 0.157 24.577 ( 0.137 0.000 0.076) 0.157 24.589 ( -0.338 0.000 -0.079) 0.347 24.589 ( 0.338 0.000 -0.079) 0.347 24.803 ( -6.418 0.000 -1.718) 6.644 24.803 ( 6.418 0.000 -1.718) 6.644 25.405 ( -2.326 0.000 2.590) 3.481 25.405 ( 2.326 0.000 2.590) 3.481 25.664 ( -5.476 0.000 -3.835) 6.685 25.664 ( 5.476 0.000 -3.835) 6.685 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 10.662 9.877) 14.534 0.457 ( 0.000 9.950 10.211) 14.257 0.726 ( 0.000 9.198 9.288) 13.072 0.864 ( 0.000 7.115 -7.143) 10.082 0.913 ( 0.000 7.418 3.773) 8.323 1.154 ( 0.000 -1.025 3.696) 3.835 1.177 ( 0.000 -0.677 -1.282) 1.450 1.225 ( 0.000 3.611 2.577) 4.436 1.335 ( 0.000 -1.455 -2.136) 2.585 1.450 ( 0.000 1.017 1.689) 1.972 1.453 ( 0.000 -0.750 0.668) 1.005 1.487 ( 0.000 0.427 0.213) 0.477 1.491 ( 0.000 2.011 0.459) 2.063 1.509 ( 0.000 5.912 -0.874) 5.976 1.519 ( 0.000 -0.676 3.970) 4.027 1.569 ( 0.000 -0.356 -0.139) 0.382 1.608 ( 0.000 -3.272 -0.116) 3.274 1.674 ( 0.000 0.436 -2.243) 2.285 1.717 ( 0.000 0.531 -4.667) 4.697 1.746 ( 0.000 -0.610 -2.817) 2.883 1.752 ( 0.000 -1.024 -1.184) 1.565 1.842 ( 0.000 -1.330 -6.317) 6.455 1.993 ( 0.000 0.211 -1.609) 1.623 1.997 ( 0.000 8.808 -3.724) 9.563 2.159 ( 0.000 -0.544 0.149) 0.564 2.169 ( 0.000 1.094 1.771) 2.081 2.238 ( 0.000 -1.148 0.797) 1.397 2.318 ( 0.000 -0.866 -2.236) 2.398 2.402 ( 0.000 2.478 -1.077) 2.702 2.408 ( 0.000 -1.611 -1.556) 2.240 2.511 ( 0.000 -2.156 6.566) 6.911 2.534 ( 0.000 0.028 0.495) 0.495 2.558 ( 0.000 -0.945 3.063) 3.205 2.592 ( 0.000 2.086 -2.021) 2.904 2.663 ( 0.000 -0.141 -0.949) 0.959 2.670 ( 0.000 -1.649 0.078) 1.651 2.703 ( 0.000 -1.593 -3.242) 3.612 2.741 ( 0.000 0.658 -0.714) 0.971 2.751 ( 0.000 0.192 5.253) 5.256 2.835 ( 0.000 -0.369 1.816) 1.853 2.941 ( 0.000 4.252 -1.274) 4.439 2.967 ( 0.000 3.133 -0.366) 3.155 3.020 ( 0.000 3.439 -1.215) 3.647 3.050 ( 0.000 0.698 2.219) 2.326 3.078 ( 0.000 2.138 -0.856) 2.303 3.178 ( 0.000 -0.209 -2.236) 2.245 3.341 ( 0.000 -4.920 8.177) 9.543 3.716 ( 0.000 -5.121 -5.873) 7.792 8.958 ( 0.000 -0.691 0.887) 1.124 9.030 ( 0.000 -1.516 -1.933) 2.456 9.114 ( 0.000 -0.678 1.294) 1.461 9.124 ( 0.000 3.171 0.203) 3.177 9.166 ( 0.000 2.149 0.225) 2.160 9.192 ( 0.000 -2.512 -0.379) 2.540 9.267 ( 0.000 3.013 0.816) 3.122 9.317 ( 0.000 3.202 -0.719) 3.282 11.116 ( 0.000 -3.499 0.766) 3.582 11.181 ( 0.000 -4.094 -1.095) 4.238 11.334 ( 0.000 0.595 4.439) 4.479 11.377 ( 0.000 0.223 0.415) 0.471 11.394 ( 0.000 0.791 -0.126) 0.801 11.433 ( 0.000 3.287 -0.498) 3.324 11.469 ( 0.000 4.999 -0.248) 5.005 11.504 ( 0.000 3.108 -2.193) 3.804 11.630 ( 0.000 -1.339 -0.463) 1.417 11.670 ( 0.000 0.998 -1.035) 1.438 11.858 ( 0.000 -0.990 0.873) 1.320 11.949 ( 0.000 -2.881 -1.145) 3.100 23.962 ( 0.000 0.023 0.125) 0.128 23.965 ( 0.000 0.053 0.059) 0.079 23.966 ( 0.000 -0.211 0.404) 0.455 23.970 ( 0.000 -0.193 -0.075) 0.207 24.399 ( 0.000 -0.174 1.895) 1.903 24.515 ( 0.000 -1.281 -2.263) 2.600 24.529 ( 0.000 -2.948 2.353) 3.772 24.571 ( 0.000 -0.665 -0.225) 0.702 24.615 ( 0.000 3.001 0.213) 3.008 24.632 ( 0.000 2.861 -0.407) 2.890 24.950 ( 0.000 1.299 1.772) 2.197 25.056 ( 0.000 -0.214 -2.772) 2.781 25.207 ( 0.000 -1.339 3.680) 3.916 25.367 ( 0.000 -2.551 -3.042) 3.970 25.474 ( 0.000 -1.358 1.411) 1.958 25.572 ( 0.000 2.913 -4.688) 5.519 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 6.582 8.401 9.640) 14.381 0.538 ( 7.346 8.365 8.544) 14.034 0.887 ( 8.121 4.653 -2.471) 9.680 0.911 ( 5.276 6.866 -5.507) 10.262 1.005 ( 11.205 8.969 9.403) 17.159 1.131 ( -2.337 1.045 -0.234) 2.571 1.197 ( 1.744 1.191 0.595) 2.194 1.236 ( 0.457 2.063 1.575) 2.635 1.330 ( -0.377 -0.433 -2.847) 2.904 1.406 ( -3.715 1.036 3.605) 5.279 1.463 ( 1.050 -0.096 0.354) 1.112 1.475 ( -0.651 -0.394 2.311) 2.433 1.510 ( 0.075 3.999 0.652) 4.052 1.518 ( 1.666 0.575 0.020) 1.763 1.546 ( 2.876 2.453 1.143) 3.949 1.603 ( 3.136 -1.459 -0.164) 3.463 1.626 ( 1.125 -1.309 -1.403) 2.224 1.654 ( -1.154 0.432 -1.136) 1.677 1.721 ( 0.037 -1.064 -0.940) 1.420 1.737 ( 0.566 -1.619 -3.702) 4.081 1.777 ( 1.472 -0.328 -2.359) 2.800 1.876 ( 3.421 0.217 -5.475) 6.460 1.963 ( -1.173 3.195 -0.598) 3.456 2.005 ( -0.269 3.929 -2.036) 4.434 2.170 ( 0.604 -0.753 0.210) 0.988 2.196 ( 2.414 0.252 0.061) 2.428 2.240 ( -0.257 -0.663 0.210) 0.741 2.265 ( -3.945 1.235 0.092) 4.135 2.364 ( -2.990 -0.555 2.184) 3.744 2.411 ( -1.459 -2.007 -0.337) 2.504 2.448 ( -2.408 -3.751 3.636) 5.752 2.524 ( -2.580 1.553 0.688) 3.089 2.554 ( -2.618 2.599 -0.122) 3.691 2.575 ( 2.566 -0.528 1.978) 3.282 2.596 ( -1.890 2.730 1.017) 3.472 2.691 ( 1.201 2.523 0.409) 2.825 2.714 ( 1.031 -0.557 -3.188) 3.396 2.761 ( 1.170 -0.132 -0.680) 1.360 2.806 ( 0.127 -1.340 1.062) 1.714 2.857 ( 1.760 -1.024 0.508) 2.099 2.926 ( -1.018 3.859 -0.519) 4.024 2.975 ( 0.369 1.746 0.041) 1.785 3.028 ( 0.298 2.823 0.633) 2.909 3.068 ( 0.938 1.356 0.287) 1.674 3.086 ( 1.628 1.484 -0.169) 2.209 3.200 ( 2.178 -0.563 -1.728) 2.837 3.313 ( -2.211 -3.774 7.232) 8.452 3.689 ( -3.384 -5.650 -7.039) 9.639 8.972 ( 1.292 -0.661 0.930) 1.724 9.040 ( 0.828 -1.534 -1.663) 2.409 9.126 ( 1.035 -0.746 1.458) 1.938 9.133 ( 0.894 3.045 0.283) 3.186 9.168 ( -0.024 2.146 0.520) 2.208 9.196 ( 0.293 -2.078 -0.282) 2.117 9.261 ( -0.655 3.305 0.218) 3.377 9.306 ( -1.120 2.558 -0.626) 2.862 11.124 ( 0.787 -2.507 0.674) 2.713 11.186 ( 0.435 -3.600 -1.075) 3.782 11.283 ( -4.966 0.497 4.085) 6.450 11.327 ( -1.570 1.922 1.660) 2.986 11.359 ( -3.150 2.087 -0.504) 3.813 11.408 ( -1.434 3.034 -0.088) 3.357 11.414 ( -1.251 2.570 -0.070) 2.859 11.482 ( -4.977 -0.353 -2.405) 5.539 11.670 ( 5.333 2.177 1.198) 5.883 11.754 ( 4.248 -0.456 -0.804) 4.347 11.915 ( 2.733 -1.625 -2.595) 4.104 11.952 ( 0.483 -2.762 -1.431) 3.148 23.957 ( -0.218 0.115 0.230) 0.337 23.963 ( -0.086 -0.118 0.330) 0.361 23.969 ( 0.146 -0.099 -0.111) 0.208 23.970 ( -0.005 -0.211 -0.087) 0.228 24.406 ( 0.672 -0.204 2.068) 2.184 24.501 ( -0.940 -2.026 0.574) 2.306 24.546 ( 0.961 -2.134 0.030) 2.341 24.568 ( -0.253 -1.058 -0.110) 1.093 24.619 ( 0.548 2.902 -0.096) 2.955 24.633 ( 0.310 3.396 -0.706) 3.483 24.836 ( -6.597 6.407 5.609) 10.772 25.050 ( -1.584 1.159 -3.675) 4.166 25.248 ( 3.500 -1.381 3.695) 5.273 25.401 ( 3.726 -2.457 -2.082) 4.925 25.448 ( -2.021 -2.057 1.773) 3.386 25.661 ( 4.625 -2.656 -7.552) 9.246 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 9.506 5.507 5.981) 12.509 0.717 ( 9.739 6.379 5.221) 12.760 0.960 ( -0.578 5.475 0.207) 5.509 0.988 ( 0.204 4.861 -1.111) 4.991 1.088 ( 0.136 2.075 -4.685) 5.126 1.185 ( -1.747 0.238 -3.691) 4.091 1.211 ( 0.777 3.250 -4.588) 5.676 1.286 ( -2.714 1.766 -4.771) 5.766 1.354 ( 7.681 3.626 5.490) 10.113 1.388 ( 8.520 4.283 6.105) 11.323 1.466 ( -1.709 2.469 1.321) 3.281 1.496 ( 2.094 2.050 4.168) 5.095 1.523 ( 1.823 1.188 1.485) 2.634 1.540 ( 0.808 -0.157 1.778) 1.959 1.581 ( -1.977 0.043 -0.326) 2.004 1.609 ( 3.209 0.690 0.889) 3.400 1.675 ( 1.289 -0.819 -0.761) 1.706 1.689 ( 3.356 -1.537 -1.255) 3.899 1.734 ( -0.104 -2.979 -2.932) 4.181 1.762 ( 2.415 -0.505 -0.417) 2.503 1.794 ( 0.369 -0.572 -1.973) 2.087 1.936 ( -0.209 1.767 0.188) 1.789 1.969 ( 1.014 0.164 -0.116) 1.034 2.022 ( 3.120 3.532 -3.886) 6.108 2.117 ( -5.238 2.946 2.678) 6.579 2.210 ( -0.173 -0.663 -0.764) 1.026 2.227 ( -0.830 -0.323 -0.495) 1.019 2.247 ( 1.135 -1.109 -2.504) 2.965 2.328 ( -0.710 0.511 3.690) 3.792 2.366 ( -2.363 -0.077 0.218) 2.374 2.416 ( -1.235 -2.894 1.518) 3.494 2.450 ( -2.678 0.666 0.911) 2.906 2.541 ( -0.056 3.862 1.263) 4.064 2.567 ( -1.169 3.369 1.667) 3.937 2.646 ( 4.047 -1.590 1.714) 4.674 2.717 ( 1.316 0.680 -0.870) 1.718 2.738 ( 0.514 1.179 -2.256) 2.597 2.767 ( 0.460 -1.609 -0.277) 1.696 2.788 ( -1.217 -1.476 0.403) 1.955 2.859 ( -1.418 -0.713 -1.238) 2.013 2.914 ( -0.037 4.236 1.356) 4.448 2.969 ( -1.378 2.090 3.249) 4.102 3.032 ( 0.502 2.663 2.145) 3.456 3.067 ( -0.566 2.972 -0.129) 3.028 3.145 ( 3.331 -1.181 -0.362) 3.553 3.241 ( -0.530 -2.608 2.847) 3.897 3.292 ( 2.933 -1.494 -2.186) 3.951 3.575 ( -7.527 -5.115 -7.097) 11.541 9.003 ( 1.672 -0.527 0.995) 2.016 9.052 ( -0.039 -1.101 -0.508) 1.213 9.148 ( 1.038 -0.468 0.947) 1.481 9.162 ( 1.927 1.154 0.946) 2.437 9.169 ( 0.398 2.782 -0.071) 2.811 9.197 ( -0.167 -0.130 -0.122) 0.244 9.240 ( -1.349 3.301 -0.094) 3.567 9.273 ( -2.123 1.386 -0.267) 2.549 11.148 ( 1.635 -0.974 0.579) 1.990 11.195 ( 0.316 -2.523 -0.365) 2.569 11.230 ( -0.465 -0.700 2.065) 2.229 11.294 ( -1.428 0.771 -0.015) 1.623 11.314 ( -1.321 1.482 0.397) 2.025 11.370 ( -5.247 -0.252 -0.700) 5.300 11.384 ( -0.940 1.922 0.139) 2.144 11.393 ( -1.122 1.992 -0.155) 2.291 11.776 ( 4.731 2.480 0.019) 5.342 11.820 ( 2.374 -0.170 -0.757) 2.498 11.932 ( -0.034 -2.018 -1.486) 2.507 11.959 ( -0.495 -1.518 -2.515) 2.979 23.956 ( 0.045 0.050 0.129) 0.145 23.961 ( -0.123 -0.055 0.153) 0.204 23.969 ( -0.012 -0.227 -0.184) 0.292 23.971 ( 0.006 -0.146 -0.135) 0.199 24.425 ( 1.267 -0.491 2.471) 2.820 24.480 ( -1.199 -1.851 2.053) 3.013 24.556 ( 0.155 -1.899 0.088) 1.907 24.562 ( -0.269 -1.741 0.122) 1.766 24.628 ( 0.444 3.166 -0.068) 3.198 24.653 ( 0.681 5.365 -1.238) 5.548 24.769 ( 0.677 5.470 3.519) 6.539 24.977 ( -5.554 3.666 -3.853) 7.690 25.321 ( 3.283 -2.343 2.755) 4.885 25.408 ( -1.693 -3.115 3.046) 4.674 25.512 ( 6.536 -2.418 -2.152) 7.293 25.696 ( -0.969 -3.691 -5.974) 7.089 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -8.142 4.139 3.203) 9.679 0.853 ( 8.142 4.139 3.203) 9.679 0.901 ( -7.884 5.224 3.006) 9.924 0.901 ( 7.884 5.224 3.006) 9.924 1.137 ( -2.784 2.308 -5.095) 6.248 1.137 ( 2.784 2.308 -5.095) 6.248 1.235 ( -1.998 3.441 -7.114) 8.151 1.235 ( 1.998 3.441 -7.114) 8.151 1.409 ( -2.825 2.508 2.109) 4.327 1.409 ( 2.825 2.508 2.109) 4.327 1.520 ( -1.006 0.226 3.903) 4.036 1.520 ( 1.006 0.226 3.903) 4.036 1.551 ( -1.366 -0.818 0.980) 1.870 1.551 ( 1.366 -0.818 0.980) 1.870 1.648 ( -1.310 0.990 0.343) 1.678 1.648 ( 1.310 0.990 0.343) 1.678 1.712 ( -3.275 0.758 -0.292) 3.375 1.712 ( 3.275 0.758 -0.292) 3.375 1.748 ( -2.404 -0.258 -1.855) 3.047 1.748 ( 2.404 -0.258 -1.855) 3.047 1.843 ( -5.943 -0.244 3.861) 7.091 1.843 ( 5.943 -0.244 3.861) 7.091 1.987 ( -1.659 3.439 0.787) 3.898 1.987 ( 1.659 3.439 0.787) 3.898 2.179 ( -4.687 -2.023 -2.803) 5.823 2.179 ( 4.687 -2.023 -2.803) 5.823 2.226 ( -1.193 0.740 -2.389) 2.771 2.226 ( 1.193 0.740 -2.389) 2.771 2.331 ( -1.105 2.251 1.747) 3.057 2.331 ( 1.105 2.251 1.747) 3.057 2.415 ( -1.059 -1.492 1.195) 2.186 2.415 ( 1.059 -1.492 1.195) 2.186 2.547 ( -0.730 3.622 1.644) 4.044 2.547 ( 0.730 3.622 1.644) 4.044 2.717 ( -2.392 -1.573 0.231) 2.872 2.717 ( 2.392 -1.573 0.231) 2.872 2.749 ( -1.801 -0.304 -0.019) 1.826 2.749 ( 1.801 -0.304 -0.019) 1.826 2.814 ( -2.739 -2.064 -0.848) 3.533 2.814 ( 2.739 -2.064 -0.848) 3.533 2.929 ( -1.753 4.465 3.936) 6.205 2.929 ( 1.753 4.465 3.936) 6.205 3.050 ( -1.045 2.924 0.712) 3.186 3.050 ( 1.045 2.924 0.712) 3.186 3.202 ( -2.387 -1.650 1.121) 3.111 3.202 ( 2.387 -1.650 1.121) 3.111 3.414 ( -7.888 -3.667 -6.011) 10.574 3.414 ( 7.888 -3.667 -6.011) 10.574 9.035 ( -1.422 -0.564 0.806) 1.729 9.035 ( 1.422 -0.564 0.806) 1.729 9.168 ( -0.802 -0.308 -0.045) 0.861 9.168 ( 0.802 -0.308 -0.045) 0.861 9.196 ( -0.845 2.746 0.124) 2.876 9.196 ( 0.845 2.746 0.124) 2.876 9.229 ( -1.492 1.407 0.165) 2.057 9.229 ( 1.492 1.407 0.165) 2.057 11.183 ( -1.500 -1.425 0.932) 2.269 11.183 ( 1.500 -1.425 0.932) 2.269 11.257 ( -2.615 -0.670 -0.229) 2.709 11.257 ( 2.615 -0.670 -0.229) 2.709 11.304 ( -0.663 0.719 0.105) 0.983 11.304 ( 0.663 0.719 0.105) 0.983 11.377 ( -0.322 1.823 0.013) 1.851 11.377 ( 0.322 1.823 0.013) 1.851 11.839 ( -1.013 1.440 -0.856) 1.958 11.839 ( 1.013 1.440 -0.856) 1.958 11.938 ( -0.979 -1.705 -1.526) 2.489 11.938 ( 0.979 -1.705 -1.526) 2.489 23.958 ( -0.182 -0.011 0.016) 0.183 23.958 ( 0.182 -0.011 0.016) 0.183 23.970 ( -0.072 -0.197 -0.140) 0.252 23.970 ( 0.072 -0.197 -0.140) 0.252 24.453 ( -1.428 -1.145 2.646) 3.218 24.453 ( 1.428 -1.145 2.646) 3.218 24.558 ( -0.122 -1.955 0.230) 1.972 24.558 ( 0.122 -1.955 0.230) 1.972 24.642 ( -0.956 4.777 0.184) 4.875 24.642 ( 0.956 4.777 0.184) 4.875 24.852 ( -6.211 4.397 -1.783) 7.816 24.852 ( 6.211 4.397 -1.783) 7.816 25.373 ( -2.036 -3.038 2.753) 4.577 25.373 ( 2.036 -3.038 2.753) 4.577 25.633 ( -5.014 -2.925 -3.496) 6.777 25.633 ( 5.014 -2.925 -3.496) 6.777 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 9.554 7.504) 12.149 0.683 ( 0.000 12.116 5.629) 13.359 0.868 ( 0.000 6.549 0.275) 6.555 1.011 ( 0.000 7.220 -6.678) 9.835 1.095 ( 0.000 4.016 0.443) 4.041 1.176 ( 0.000 -0.184 -1.647) 1.657 1.177 ( 0.000 6.508 4.006) 7.642 1.278 ( 0.000 -3.116 0.352) 3.136 1.300 ( 0.000 3.945 4.856) 6.256 1.437 ( 0.000 -0.874 1.454) 1.696 1.455 ( 0.000 -1.048 -0.439) 1.136 1.494 ( 0.000 -1.918 -0.370) 1.954 1.506 ( 0.000 0.437 -0.036) 0.438 1.518 ( 0.000 3.098 3.937) 5.010 1.545 ( 0.000 -1.931 0.793) 2.087 1.557 ( 0.000 -1.279 0.903) 1.566 1.602 ( 0.000 0.690 -1.634) 1.774 1.676 ( 0.000 -0.187 -0.903) 0.922 1.682 ( 0.000 -3.496 -3.832) 5.187 1.722 ( 0.000 -0.671 -0.344) 0.754 1.747 ( 0.000 1.403 -0.675) 1.557 1.863 ( 0.000 1.548 -6.579) 6.759 2.029 ( 0.000 3.765 1.243) 3.965 2.128 ( 0.000 3.704 -2.791) 4.638 2.130 ( 0.000 -2.760 -3.462) 4.428 2.173 ( 0.000 -1.297 -1.935) 2.329 2.235 ( 0.000 2.743 0.462) 2.782 2.295 ( 0.000 -1.665 -1.232) 2.071 2.390 ( 0.000 -0.035 0.862) 0.862 2.425 ( 0.000 -2.371 7.484) 7.850 2.487 ( 0.000 3.917 -2.563) 4.681 2.549 ( 0.000 2.188 3.521) 4.146 2.595 ( 0.000 1.360 -0.130) 1.366 2.603 ( 0.000 -4.934 -0.860) 5.008 2.628 ( 0.000 0.555 -1.177) 1.302 2.637 ( 0.000 -0.410 -0.235) 0.472 2.679 ( 0.000 -0.005 -3.097) 3.097 2.785 ( 0.000 1.961 -0.959) 2.183 2.801 ( 0.000 3.668 3.310) 4.941 2.838 ( 0.000 0.805 1.571) 1.766 3.023 ( 0.000 3.742 -0.635) 3.796 3.034 ( 0.000 3.360 1.244) 3.583 3.052 ( 0.000 1.025 1.783) 2.057 3.089 ( 0.000 2.690 -1.392) 3.029 3.120 ( 0.000 1.805 -0.365) 1.842 3.166 ( 0.000 -1.415 0.285) 1.444 3.246 ( 0.000 -3.300 4.575) 5.641 3.590 ( 0.000 -7.723 -5.609) 9.545 8.951 ( 0.000 -0.021 0.478) 0.479 9.003 ( 0.000 -1.158 -1.431) 1.841 9.080 ( 0.000 -2.016 1.286) 2.391 9.132 ( 0.000 -2.675 -0.809) 2.794 9.209 ( 0.000 4.464 0.668) 4.514 9.244 ( 0.000 4.856 -0.557) 4.887 9.326 ( 0.000 2.723 1.193) 2.973 9.376 ( 0.000 2.680 -0.367) 2.705 11.096 ( 0.000 0.615 -1.159) 1.312 11.127 ( 0.000 -1.416 -1.131) 1.812 11.328 ( 0.000 -0.762 4.575) 4.638 11.398 ( 0.000 1.901 0.433) 1.950 11.420 ( 0.000 1.960 -0.204) 1.971 11.466 ( 0.000 -0.768 -1.261) 1.476 11.554 ( 0.000 3.629 -0.764) 3.708 11.564 ( 0.000 2.803 -1.424) 3.143 11.619 ( 0.000 0.695 1.208) 1.394 11.664 ( 0.000 -1.122 1.411) 1.802 11.836 ( 0.000 -1.483 -1.015) 1.797 11.877 ( 0.000 -4.221 -0.987) 4.335 23.961 ( 0.000 -0.062 0.214) 0.223 23.965 ( 0.000 0.080 0.385) 0.393 23.966 ( 0.000 -0.197 -0.032) 0.200 23.967 ( 0.000 0.146 0.174) 0.227 24.397 ( 0.000 -0.007 1.331) 1.331 24.479 ( 0.000 -2.060 2.233) 3.038 24.483 ( 0.000 -1.833 -1.735) 2.524 24.545 ( 0.000 -1.979 -0.557) 2.056 24.686 ( 0.000 3.812 0.120) 3.814 24.693 ( 0.000 3.165 -0.133) 3.168 24.973 ( 0.000 0.810 1.236) 1.478 25.049 ( 0.000 -0.568 -1.944) 2.025 25.173 ( 0.000 -1.947 2.611) 3.257 25.300 ( 0.000 -4.084 -2.585) 4.834 25.463 ( 0.000 0.691 2.013) 2.128 25.604 ( 0.000 0.531 -4.172) 4.205 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 4.944 9.814 6.557) 12.796 0.724 ( 4.961 10.640 6.907) 13.621 0.982 ( 7.281 5.411 -2.291) 9.357 1.051 ( 3.852 6.398 -6.267) 9.749 1.135 ( 2.762 2.563 0.112) 3.770 1.164 ( 0.384 1.646 -0.581) 1.787 1.254 ( 3.588 4.021 -0.468) 5.409 1.298 ( 2.309 -0.581 1.982) 3.098 1.321 ( 3.228 2.853 3.819) 5.757 1.438 ( -1.059 4.233 2.302) 4.934 1.462 ( -0.678 -0.546 0.731) 1.136 1.483 ( 2.598 1.011 -0.238) 2.798 1.517 ( -1.033 -2.797 -0.490) 3.022 1.533 ( 1.783 0.459 0.014) 1.842 1.560 ( 2.890 1.099 2.739) 4.131 1.576 ( 1.595 -1.730 0.783) 2.480 1.618 ( 1.684 -0.998 -0.496) 2.020 1.667 ( -0.377 -0.164 -0.239) 0.475 1.683 ( 0.010 -3.076 -2.789) 4.152 1.727 ( 0.469 0.814 -0.662) 1.149 1.765 ( 0.808 0.449 -1.960) 2.167 1.892 ( 3.086 0.099 -4.322) 5.311 2.017 ( -0.660 4.567 1.064) 4.735 2.109 ( -1.681 4.203 -2.484) 5.164 2.142 ( 1.133 -1.845 -2.362) 3.204 2.175 ( -0.528 -1.858 -2.861) 3.452 2.241 ( 1.134 0.392 1.057) 1.599 2.281 ( -1.991 0.365 0.006) 2.024 2.358 ( -1.544 -0.881 1.277) 2.189 2.383 ( -2.884 0.873 4.152) 5.131 2.447 ( -1.936 3.190 -0.166) 3.736 2.544 ( -3.010 0.022 0.225) 3.018 2.578 ( 1.529 0.732 1.583) 2.319 2.613 ( -0.120 2.522 0.989) 2.712 2.628 ( -0.012 -0.340 0.360) 0.495 2.667 ( 1.717 -1.559 -1.078) 2.558 2.710 ( 1.434 -2.021 -1.650) 2.977 2.792 ( 0.100 2.364 -0.432) 2.405 2.812 ( 0.949 -0.281 -0.053) 0.991 2.821 ( -1.418 1.446 0.770) 2.167 2.993 ( -1.508 2.866 0.085) 3.239 3.035 ( 0.229 3.537 0.716) 3.616 3.075 ( 0.850 1.833 3.455) 4.002 3.099 ( 0.976 2.400 -1.686) 3.091 3.126 ( 0.345 1.875 0.444) 1.957 3.174 ( 0.877 -2.256 0.719) 2.525 3.246 ( 0.138 -2.106 2.232) 3.072 3.557 ( -3.404 -7.591 -5.762) 10.120 8.964 ( 1.208 -0.152 0.554) 1.338 9.013 ( 0.915 -1.190 -1.314) 1.995 9.086 ( 0.463 -2.267 1.648) 2.840 9.139 ( 0.582 -2.817 -0.726) 2.967 9.217 ( 0.690 4.477 0.658) 4.578 9.248 ( 0.334 4.872 -0.414) 4.901 9.326 ( -0.196 2.985 0.370) 3.014 9.361 ( -1.409 2.753 -0.218) 3.101 11.108 ( 1.145 0.524 -0.857) 1.523 11.139 ( 1.137 -1.205 -1.057) 1.965 11.289 ( -3.774 0.146 4.319) 5.737 11.358 ( -2.457 1.736 0.844) 3.124 11.387 ( -2.934 1.610 -0.499) 3.383 11.439 ( -2.913 -1.619 -1.243) 3.557 11.477 ( -3.687 2.870 -0.131) 4.674 11.488 ( -3.935 2.450 -0.301) 4.645 11.717 ( 5.919 1.841 0.779) 6.247 11.733 ( 4.099 -0.826 1.119) 4.328 11.875 ( 0.828 -2.988 -1.314) 3.368 11.892 ( 2.974 -2.511 -2.199) 4.471 23.960 ( -0.128 0.082 0.151) 0.214 23.962 ( -0.127 0.047 0.430) 0.451 23.965 ( -0.034 -0.223 -0.063) 0.234 23.969 ( 0.072 0.039 0.086) 0.119 24.403 ( 0.622 -0.015 1.483) 1.608 24.467 ( -0.559 -1.403 1.163) 1.906 24.503 ( 1.051 -2.175 -0.592) 2.487 24.536 ( -0.698 -2.085 -0.355) 2.228 24.682 ( 0.114 3.299 0.116) 3.303 24.705 ( 1.307 3.639 -0.907) 3.971 24.939 ( -2.945 3.858 2.581) 5.497 25.076 ( 1.762 1.439 -2.694) 3.526 25.204 ( 2.382 -3.110 2.142) 4.465 25.336 ( 3.865 -4.119 -2.634) 6.232 25.420 ( -3.632 0.018 3.235) 4.864 25.615 ( 0.705 -1.994 -4.505) 4.977 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 7.529 9.375 5.287) 13.135 0.862 ( 8.101 8.232 4.326) 12.333 1.064 ( -0.518 5.483 -0.118) 5.509 1.115 ( -1.827 6.334 1.624) 6.789 1.130 ( 2.253 2.312 -4.417) 5.471 1.191 ( -0.290 0.613 -1.281) 1.449 1.292 ( 1.822 4.763 -4.681) 6.922 1.330 ( -0.574 1.972 -4.443) 4.895 1.383 ( 3.608 0.418 2.203) 4.248 1.458 ( 0.980 -0.988 0.486) 1.474 1.477 ( -0.947 -0.536 -0.118) 1.095 1.515 ( 2.429 1.285 2.696) 3.850 1.534 ( 0.754 2.380 -0.507) 2.548 1.571 ( 3.167 -1.400 1.143) 3.646 1.612 ( 1.018 -1.662 0.577) 2.032 1.631 ( 4.078 1.743 0.389) 4.452 1.656 ( 2.262 -1.098 -0.433) 2.552 1.675 ( 1.124 -0.439 -1.527) 1.947 1.708 ( 3.015 3.313 1.534) 4.735 1.752 ( 3.262 1.206 1.955) 3.990 1.772 ( 0.018 -0.838 -2.451) 2.590 1.955 ( 1.831 -0.968 0.461) 2.122 2.013 ( 0.153 5.631 -0.949) 5.712 2.079 ( -1.236 2.284 -1.994) 3.274 2.142 ( -2.258 -3.679 -0.751) 4.381 2.180 ( 0.371 0.844 1.226) 1.534 2.225 ( -0.512 2.232 -0.002) 2.290 2.275 ( 1.819 1.697 -2.686) 3.661 2.349 ( 0.531 -0.476 1.673) 1.819 2.365 ( 0.448 1.848 2.598) 3.220 2.401 ( -2.262 1.606 0.501) 2.819 2.472 ( -3.568 1.057 0.353) 3.738 2.606 ( 0.573 0.131 1.352) 1.475 2.624 ( 0.412 2.255 1.372) 2.672 2.636 ( 1.460 1.297 1.366) 2.383 2.679 ( 0.118 -1.742 0.044) 1.746 2.702 ( -1.804 -4.185 -0.100) 4.558 2.772 ( -2.953 -1.873 -0.324) 3.512 2.801 ( 0.829 2.935 -1.703) 3.493 2.828 ( 0.053 0.616 -2.199) 2.285 2.980 ( 0.329 2.811 1.305) 3.116 3.042 ( -0.688 3.542 3.425) 4.975 3.080 ( 0.763 1.773 3.217) 3.751 3.124 ( 0.147 2.155 -0.155) 2.166 3.129 ( 1.477 0.016 -0.582) 1.588 3.196 ( 0.620 -1.290 0.739) 1.611 3.259 ( 1.576 -1.711 -2.055) 3.104 3.455 ( -6.444 -6.671 -5.674) 10.873 8.994 ( 1.649 -0.335 0.645) 1.802 9.032 ( 0.539 -0.884 -0.674) 1.235 9.097 ( 0.881 -2.836 1.412) 3.288 9.144 ( -0.364 -3.064 -0.513) 3.128 9.236 ( 1.224 4.483 0.607) 4.686 9.261 ( 1.085 4.684 -0.291) 4.817 9.308 ( -1.637 3.476 -0.032) 3.842 9.329 ( -1.599 3.396 -0.161) 3.757 11.138 ( 1.630 0.232 -0.186) 1.657 11.164 ( 0.917 -0.707 -0.620) 1.314 11.229 ( -1.197 0.321 2.558) 2.842 11.307 ( -3.021 0.575 -0.363) 3.097 11.334 ( -1.780 0.878 0.226) 1.997 11.360 ( -3.665 -0.487 0.028) 3.698 11.429 ( -1.669 2.054 0.105) 2.649 11.436 ( -1.658 1.911 -0.139) 2.533 11.802 ( 2.959 -1.187 0.732) 3.271 11.824 ( 4.078 1.969 0.417) 4.547 11.882 ( 0.345 -2.707 -1.176) 2.972 11.935 ( 0.599 -1.140 -2.781) 3.065 23.958 ( -0.051 0.154 0.149) 0.220 23.961 ( -0.065 -0.015 0.190) 0.201 23.965 ( 0.002 -0.221 -0.038) 0.224 23.969 ( -0.073 -0.074 0.002) 0.104 24.420 ( 0.984 -0.083 1.735) 1.997 24.455 ( -0.636 -0.723 1.440) 1.733 24.515 ( 0.152 -2.169 -0.194) 2.183 24.523 ( -0.545 -2.125 -0.005) 2.194 24.698 ( 1.592 3.695 0.092) 4.025 24.752 ( 2.473 4.439 -2.579) 5.698 24.882 ( -1.370 5.380 3.137) 6.377 25.064 ( -3.897 4.654 -4.594) 7.613 25.256 ( 2.800 -4.127 2.438) 5.551 25.346 ( -2.475 -2.378 3.571) 4.953 25.450 ( 6.140 -3.568 -1.135) 7.192 25.614 ( -1.185 -4.325 -4.000) 6.008 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -6.763 7.492 3.008) 10.532 0.972 ( 6.763 7.492 3.008) 10.532 1.020 ( -7.125 6.692 2.716) 10.146 1.020 ( 7.125 6.692 2.716) 10.146 1.174 ( -1.606 1.710 -2.331) 3.307 1.174 ( 1.606 1.710 -2.331) 3.307 1.320 ( -0.822 4.490 -6.393) 7.855 1.320 ( 0.822 4.490 -6.393) 7.855 1.459 ( -2.045 -1.803 0.122) 2.729 1.459 ( 2.045 -1.803 0.122) 2.729 1.469 ( -1.935 1.418 0.387) 2.430 1.469 ( 1.935 1.418 0.387) 2.430 1.585 ( -1.777 -0.836 2.184) 2.937 1.585 ( 1.777 -0.836 2.184) 2.937 1.640 ( -1.735 -0.692 0.158) 1.875 1.640 ( 1.735 -0.692 0.158) 1.875 1.691 ( -0.659 -1.622 -1.781) 2.498 1.691 ( 0.659 -1.622 -1.781) 2.498 1.761 ( -1.246 0.560 -1.339) 1.913 1.761 ( 1.246 0.560 -1.339) 1.913 1.904 ( -8.051 6.379 3.677) 10.910 1.904 ( 8.051 6.379 3.677) 10.910 2.030 ( -2.085 0.309 -0.835) 2.267 2.030 ( 2.085 0.309 -0.835) 2.267 2.135 ( -1.776 -0.703 1.049) 2.179 2.135 ( 1.776 -0.703 1.049) 2.179 2.282 ( -2.245 3.854 -1.832) 4.822 2.282 ( 2.245 3.854 -1.832) 4.822 2.362 ( -0.786 1.144 1.334) 1.925 2.362 ( 0.786 1.144 1.334) 1.925 2.406 ( -2.798 0.087 0.598) 2.862 2.406 ( 2.798 0.087 0.598) 2.862 2.618 ( -0.812 1.164 1.277) 1.909 2.618 ( 0.812 1.164 1.277) 1.909 2.662 ( -1.283 -1.446 1.174) 2.262 2.662 ( 1.283 -1.446 1.174) 2.262 2.711 ( -2.746 -2.838 -0.176) 3.953 2.711 ( 2.746 -2.838 -0.176) 3.953 2.819 ( -0.792 1.927 -2.358) 3.147 2.819 ( 0.792 1.927 -2.358) 3.147 3.005 ( -2.037 2.657 3.571) 4.896 3.005 ( 2.037 2.657 3.571) 4.896 3.108 ( -1.278 2.230 1.422) 2.938 3.108 ( 1.278 2.230 1.422) 2.938 3.178 ( -2.261 -0.045 -0.166) 2.267 3.178 ( 2.261 -0.045 -0.166) 2.267 3.328 ( -5.412 -4.665 -4.850) 8.636 3.328 ( 5.412 -4.665 -4.850) 8.636 9.024 ( -1.184 -0.492 0.506) 1.379 9.024 ( 1.184 -0.492 0.506) 1.379 9.124 ( -1.491 -3.132 -0.070) 3.469 9.124 ( 1.491 -3.132 -0.070) 3.469 9.265 ( -1.571 4.089 0.459) 4.404 9.265 ( 1.571 4.089 0.459) 4.404 9.297 ( -1.503 4.137 -0.273) 4.410 9.297 ( 1.503 4.137 -0.273) 4.410 11.164 ( -0.763 -0.215 0.321) 0.855 11.164 ( 0.763 -0.215 0.321) 0.855 11.248 ( -2.497 -0.463 0.091) 2.541 11.248 ( 2.497 -0.463 0.091) 2.541 11.319 ( -0.429 0.927 0.359) 1.082 11.319 ( 0.429 0.927 0.359) 1.082 11.415 ( -0.324 1.567 0.003) 1.600 11.415 ( 0.324 1.567 0.003) 1.600 11.846 ( -1.277 -0.784 0.456) 1.566 11.846 ( 1.277 -0.784 0.456) 1.566 11.916 ( -2.243 -0.332 -1.997) 3.022 11.916 ( 2.243 -0.332 -1.997) 3.022 23.958 ( -0.116 0.046 0.054) 0.136 23.958 ( 0.116 0.046 0.054) 0.136 23.966 ( -0.143 -0.158 0.018) 0.214 23.966 ( 0.143 -0.158 0.018) 0.214 24.440 ( -0.935 -0.272 1.722) 1.978 24.440 ( 0.935 -0.272 1.722) 1.978 24.516 ( -0.132 -2.146 0.108) 2.153 24.516 ( 0.132 -2.146 0.108) 2.153 24.742 ( -2.471 5.054 -0.161) 5.628 24.742 ( 2.471 5.054 -0.161) 5.628 24.946 ( -6.409 4.410 -2.265) 8.102 24.946 ( 6.409 4.410 -2.265) 8.102 25.306 ( -2.048 -3.058 3.279) 4.929 25.306 ( 2.048 -3.058 3.279) 4.929 25.559 ( -4.296 -4.370 -2.568) 6.644 25.559 ( 4.296 -4.370 -2.568) 6.644 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.000 6.080 3.631) 7.082 0.896 ( 0.000 8.349 2.454) 8.702 1.010 ( 0.000 7.631 1.503) 7.777 1.091 ( 0.000 -2.362 -3.538) 4.254 1.161 ( 0.000 5.023 -0.392) 5.038 1.164 ( 0.000 3.391 -1.817) 3.847 1.269 ( 0.000 1.400 0.398) 1.456 1.270 ( 0.000 1.697 0.766) 1.862 1.328 ( 0.000 -0.892 1.481) 1.729 1.406 ( 0.000 -3.487 -0.501) 3.523 1.432 ( 0.000 -0.647 2.628) 2.707 1.438 ( 0.000 -1.212 -0.009) 1.212 1.482 ( 0.000 -4.338 -0.347) 4.352 1.495 ( 0.000 -4.014 -0.164) 4.017 1.495 ( 0.000 -2.551 0.905) 2.706 1.573 ( 0.000 -2.442 0.001) 2.442 1.637 ( 0.000 4.004 -2.609) 4.778 1.667 ( 0.000 2.203 -3.563) 4.189 1.722 ( 0.000 6.216 0.583) 6.243 1.749 ( 0.000 3.755 1.389) 4.004 1.775 ( 0.000 1.715 0.783) 1.886 1.842 ( 0.000 -2.879 -5.124) 5.877 2.040 ( 0.000 -5.579 -0.668) 5.619 2.052 ( 0.000 -8.205 1.386) 8.322 2.114 ( 0.000 3.672 0.264) 3.681 2.195 ( 0.000 0.928 -3.716) 3.831 2.269 ( 0.000 0.618 1.463) 1.588 2.353 ( 0.000 5.133 -0.503) 5.157 2.391 ( 0.000 1.015 -0.426) 1.101 2.429 ( 0.000 1.799 1.791) 2.538 2.522 ( 0.000 -2.425 -0.279) 2.441 2.536 ( 0.000 -0.963 -0.055) 0.964 2.561 ( 0.000 0.987 0.693) 1.206 2.617 ( 0.000 -1.162 0.195) 1.178 2.630 ( 0.000 2.422 1.408) 2.802 2.675 ( 0.000 3.209 -1.137) 3.404 2.678 ( 0.000 -1.087 -0.393) 1.156 2.775 ( 0.000 -1.706 -1.865) 2.527 2.874 ( 0.000 3.391 1.125) 3.573 2.880 ( 0.000 2.702 0.572) 2.762 3.062 ( 0.000 0.812 2.158) 2.305 3.080 ( 0.000 1.905 0.196) 1.915 3.102 ( 0.000 2.547 1.113) 2.780 3.133 ( 0.000 -0.255 0.570) 0.624 3.144 ( 0.000 2.723 -1.964) 3.358 3.150 ( 0.000 0.717 1.591) 1.745 3.222 ( 0.000 -0.083 0.645) 0.650 3.419 ( 0.000 -9.426 -3.133) 9.933 8.956 ( 0.000 0.487 0.373) 0.613 8.985 ( 0.000 -0.821 -0.482) 0.952 9.049 ( 0.000 -0.899 0.326) 0.957 9.082 ( 0.000 -2.251 -0.715) 2.362 9.295 ( 0.000 3.880 0.750) 3.952 9.334 ( 0.000 3.713 -0.591) 3.760 9.366 ( 0.000 1.397 1.226) 1.858 9.413 ( 0.000 0.840 -0.325) 0.900 11.117 ( 0.000 1.086 -1.138) 1.573 11.119 ( 0.000 0.323 -0.651) 0.726 11.318 ( 0.000 0.161 2.478) 2.483 11.412 ( 0.000 -3.731 -1.384) 3.980 11.448 ( 0.000 3.000 0.538) 3.047 11.472 ( 0.000 3.207 -0.405) 3.232 11.577 ( 0.000 -1.847 0.972) 2.087 11.598 ( 0.000 -0.477 0.314) 0.572 11.654 ( 0.000 3.459 0.160) 3.463 11.671 ( 0.000 2.508 0.146) 2.512 11.795 ( 0.000 -2.702 -0.868) 2.838 11.797 ( 0.000 -3.702 -0.481) 3.733 23.960 ( 0.000 -0.013 0.211) 0.211 23.962 ( 0.000 -0.130 0.059) 0.142 23.968 ( 0.000 0.152 0.247) 0.290 23.970 ( 0.000 0.107 0.163) 0.195 24.402 ( 0.000 0.572 0.355) 0.673 24.448 ( 0.000 -1.686 -1.186) 2.061 24.452 ( 0.000 -0.586 1.466) 1.579 24.498 ( 0.000 -2.511 -0.337) 2.533 24.748 ( 0.000 2.280 -0.015) 2.280 24.750 ( 0.000 2.463 -0.068) 2.464 24.985 ( 0.000 0.642 1.091) 1.266 25.031 ( 0.000 -1.246 -0.359) 1.297 25.145 ( 0.000 -0.587 0.585) 0.829 25.218 ( 0.000 -3.959 -1.913) 4.397 25.501 ( 0.000 2.863 1.557) 3.259 25.597 ( 0.000 -1.225 -2.124) 2.452 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 5.605 6.563 2.941) 9.118 0.940 ( 3.963 10.176 4.799) 11.928 1.063 ( 4.343 0.592 -2.872) 5.240 1.144 ( 2.862 4.339 -2.797) 5.903 1.183 ( 2.737 1.542 0.863) 3.258 1.206 ( 2.924 4.650 -0.362) 5.505 1.291 ( 2.200 1.550 0.395) 2.720 1.305 ( 2.899 0.317 -0.884) 3.047 1.344 ( 1.407 -0.579 0.604) 1.637 1.424 ( -0.427 -2.060 1.228) 2.436 1.459 ( 3.835 -2.414 -0.986) 4.637 1.467 ( 3.174 -0.775 1.008) 3.419 1.492 ( 0.274 -1.987 0.780) 2.152 1.503 ( 1.664 -4.004 0.060) 4.337 1.520 ( 1.752 -2.805 -0.348) 3.325 1.592 ( 1.762 -1.904 0.057) 2.595 1.627 ( -0.876 2.440 -2.000) 3.274 1.668 ( 0.241 3.446 -3.805) 5.139 1.721 ( -0.713 -0.295 0.325) 0.837 1.740 ( 2.052 6.682 2.777) 7.522 1.794 ( -0.028 1.713 -1.485) 2.267 1.876 ( 3.545 0.116 -2.297) 4.226 2.039 ( 0.884 -4.685 0.081) 4.769 2.069 ( 0.915 -7.200 -1.043) 7.332 2.120 ( 0.464 2.653 -0.183) 2.699 2.203 ( 1.248 2.120 -2.221) 3.314 2.271 ( 0.024 0.534 1.752) 1.832 2.318 ( -2.699 3.920 0.370) 4.774 2.365 ( -1.912 1.925 -1.186) 2.961 2.410 ( -1.465 1.543 1.378) 2.535 2.503 ( -1.373 1.350 0.130) 1.930 2.538 ( -2.050 0.311 -0.261) 2.090 2.566 ( 1.327 -2.829 0.465) 3.160 2.608 ( -0.739 -0.030 1.693) 1.847 2.625 ( -0.080 -0.457 1.801) 1.860 2.669 ( -1.477 -2.097 -0.127) 2.568 2.691 ( 1.292 3.166 -0.989) 3.559 2.780 ( 0.484 -0.756 -2.678) 2.824 2.864 ( -0.911 2.947 0.633) 3.149 2.872 ( -0.695 2.386 0.110) 2.488 3.045 ( -0.690 2.634 1.048) 2.917 3.093 ( -0.551 2.396 1.018) 2.661 3.104 ( 0.619 1.178 2.420) 2.762 3.125 ( -0.287 -1.585 1.913) 2.501 3.152 ( 0.964 1.510 -0.765) 1.948 3.159 ( 0.690 2.178 -0.765) 2.410 3.227 ( 0.418 -0.422 -0.378) 0.704 3.396 ( -2.363 -8.677 -3.272) 9.569 8.966 ( 0.982 0.362 0.375) 1.111 8.994 ( 0.878 -0.877 -0.529) 1.349 9.052 ( 0.196 -0.963 0.622) 1.163 9.086 ( 0.309 -2.381 -0.626) 2.481 9.303 ( 0.709 3.913 0.712) 4.040 9.338 ( 0.263 3.895 -0.505) 3.936 9.368 ( 0.193 1.178 0.688) 1.378 9.401 ( -1.040 1.116 -0.147) 1.533 11.128 ( 1.023 1.061 -0.924) 1.739 11.133 ( 1.281 0.302 -0.689) 1.485 11.292 ( -2.569 0.510 2.536) 3.646 11.381 ( -3.271 -3.232 -1.127) 4.735 11.403 ( -3.146 2.760 0.641) 4.234 11.434 ( -3.045 2.511 -0.501) 3.979 11.506 ( -3.876 -0.218 0.547) 3.920 11.522 ( -4.447 0.339 0.155) 4.463 11.727 ( 4.325 1.589 0.713) 4.662 11.755 ( 5.205 1.236 0.181) 5.353 11.815 ( 1.460 -2.564 -0.397) 2.977 11.845 ( 3.682 -2.779 -1.495) 4.850 23.960 ( -0.022 -0.010 0.187) 0.189 23.962 ( -0.024 -0.128 0.029) 0.133 23.965 ( -0.177 0.207 0.244) 0.366 23.970 ( -0.050 0.024 0.114) 0.126 24.407 ( 0.551 0.505 0.536) 0.920 24.448 ( 0.100 -0.636 0.317) 0.717 24.464 ( 0.791 -1.609 -0.087) 1.795 24.493 ( -0.413 -2.153 -0.082) 2.194 24.741 ( 0.120 2.579 -0.034) 2.582 24.762 ( 1.262 1.926 -0.958) 2.494 24.995 ( 0.120 2.300 2.203) 3.187 25.091 ( 5.236 -0.975 0.690) 5.371 25.150 ( -0.188 -0.938 -1.349) 1.654 25.251 ( 3.475 -4.265 -2.651) 6.107 25.455 ( -4.021 3.094 2.668) 5.732 25.575 ( -1.900 -2.312 -1.974) 3.585 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.588 7.081 2.486) 10.672 1.040 ( 5.735 9.794 4.059) 12.054 1.136 ( 1.907 0.946 -0.708) 2.243 1.185 ( 1.871 3.622 -1.755) 4.439 1.222 ( -0.494 4.678 1.413) 4.911 1.228 ( -0.439 2.824 0.224) 2.866 1.332 ( 1.683 -1.151 -2.143) 2.958 1.365 ( 1.992 1.220 -3.662) 4.343 1.393 ( 3.217 -0.868 -1.441) 3.630 1.418 ( 0.870 0.221 0.714) 1.147 1.475 ( -1.436 -2.384 -0.073) 2.784 1.499 ( 0.752 -2.382 -0.364) 2.524 1.538 ( 0.862 -2.133 0.540) 2.363 1.544 ( 0.683 -1.168 -0.589) 1.476 1.566 ( 2.468 -0.499 0.497) 2.566 1.618 ( -0.518 -0.735 -0.589) 1.075 1.629 ( 3.046 -0.239 -0.572) 3.109 1.681 ( 0.797 1.353 -2.326) 2.806 1.738 ( 2.538 -2.140 -0.387) 3.342 1.764 ( 0.312 0.977 -0.000) 1.025 1.864 ( 6.654 4.807 1.061) 8.277 1.948 ( 3.890 2.419 -0.900) 4.669 2.030 ( -1.917 -2.586 -0.534) 3.263 2.115 ( 2.550 -2.613 0.588) 3.698 2.141 ( 1.149 1.671 -1.033) 2.276 2.223 ( -0.910 7.596 -0.003) 7.650 2.279 ( 1.047 0.273 -0.576) 1.226 2.289 ( 1.924 1.799 0.410) 2.666 2.346 ( 0.694 -0.277 0.181) 0.769 2.385 ( -1.148 0.280 1.036) 1.571 2.452 ( -3.329 2.906 -0.296) 4.429 2.493 ( -2.627 0.890 1.507) 3.157 2.583 ( -0.302 -3.395 0.791) 3.499 2.592 ( -0.068 -1.505 1.416) 2.067 2.607 ( -2.446 -4.164 0.443) 4.850 2.634 ( -0.913 -1.989 1.307) 2.549 2.718 ( 1.393 3.971 0.114) 4.210 2.782 ( -0.779 2.098 -1.791) 2.867 2.844 ( -0.558 1.364 -0.677) 1.622 2.858 ( -0.675 1.414 -1.205) 1.977 3.037 ( -0.204 2.994 1.326) 3.281 3.081 ( -1.857 1.337 3.531) 4.208 3.096 ( 0.932 0.075 1.266) 1.574 3.129 ( 0.168 -0.207 2.205) 2.221 3.171 ( 0.897 2.335 -1.585) 2.961 3.188 ( 1.835 0.066 -1.072) 2.126 3.232 ( -0.074 -1.058 -1.517) 1.851 3.326 ( -4.427 -6.431 -3.402) 8.517 8.992 ( 1.480 0.161 0.371) 1.535 9.017 ( 1.221 -0.710 -0.629) 1.546 9.053 ( -0.032 -1.386 0.941) 1.676 9.086 ( -0.468 -2.556 -0.439) 2.635 9.320 ( 0.995 3.808 0.616) 3.984 9.345 ( 0.477 3.474 -0.223) 3.513 9.365 ( -0.704 2.006 0.075) 2.127 9.380 ( -0.834 1.547 0.052) 1.758 11.154 ( 1.415 1.066 -0.416) 1.820 11.164 ( 1.585 0.502 -0.722) 1.813 11.236 ( -2.179 0.559 1.940) 2.971 11.298 ( -4.130 -1.656 -0.709) 4.505 11.357 ( -1.449 1.938 0.543) 2.480 11.375 ( -2.504 1.933 0.054) 3.164 11.447 ( -2.219 -0.629 0.105) 2.309 11.450 ( -2.568 -0.523 0.133) 2.625 11.800 ( 2.901 1.352 0.503) 3.240 11.840 ( 0.906 -0.491 0.139) 1.040 11.849 ( 3.820 -0.172 -0.571) 3.866 11.902 ( 1.621 -2.321 -1.578) 3.241 23.960 ( 0.007 0.028 0.093) 0.098 23.961 ( -0.044 -0.044 0.023) 0.067 23.962 ( -0.080 0.114 0.207) 0.250 23.968 ( -0.165 -0.074 0.049) 0.187 24.422 ( 0.921 0.395 0.892) 1.342 24.449 ( -0.090 -0.003 0.781) 0.786 24.474 ( 0.190 -1.903 -0.058) 1.913 24.486 ( -0.300 -1.561 0.166) 1.598 24.767 ( 2.632 3.252 -0.177) 4.188 24.817 ( 4.001 1.902 -2.569) 5.122 24.965 ( -2.752 3.222 2.295) 4.819 25.105 ( -4.598 -2.352 -3.425) 6.197 25.207 ( 5.435 1.359 1.393) 5.772 25.325 ( 1.256 -1.140 -0.941) 1.940 25.396 ( 0.868 -0.460 2.969) 3.127 25.531 ( -2.499 -4.228 -1.645) 5.179 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -3.883 6.292 2.277) 7.736 1.116 ( 3.883 6.292 2.277) 7.736 1.155 ( -5.277 6.494 1.742) 8.547 1.155 ( 5.277 6.494 1.742) 8.547 1.216 ( -1.054 2.930 0.212) 3.122 1.216 ( 1.054 2.930 0.212) 3.122 1.363 ( -1.597 -0.599 -3.915) 4.270 1.363 ( 1.597 -0.599 -3.915) 4.270 1.433 ( -1.446 -0.028 -1.255) 1.914 1.433 ( 1.446 -0.028 -1.255) 1.914 1.489 ( -3.127 -2.831 -1.760) 4.570 1.489 ( 3.127 -2.831 -1.760) 4.570 1.536 ( -0.413 0.462 -0.073) 0.625 1.536 ( 0.413 0.462 -0.073) 0.625 1.598 ( -1.002 -3.079 0.611) 3.295 1.598 ( 1.002 -3.079 0.611) 3.295 1.681 ( -1.313 0.139 -1.334) 1.877 1.681 ( 1.313 0.139 -1.334) 1.877 1.771 ( -0.369 -0.805 0.779) 1.180 1.771 ( 0.369 -0.805 0.779) 1.180 1.971 ( -3.484 0.678 -1.962) 4.056 1.971 ( 3.484 0.678 -1.962) 4.056 2.066 ( -6.089 2.910 1.491) 6.912 2.066 ( 6.089 2.910 1.491) 6.912 2.182 ( -2.934 5.030 1.043) 5.916 2.182 ( 2.934 5.030 1.043) 5.916 2.323 ( -1.981 -0.656 -1.699) 2.691 2.323 ( 1.981 -0.656 -1.699) 2.691 2.382 ( -2.840 1.480 0.844) 3.312 2.382 ( 2.840 1.480 0.844) 3.312 2.417 ( -4.705 0.996 1.515) 5.042 2.417 ( 4.705 0.996 1.515) 5.042 2.569 ( -0.211 -2.447 0.225) 2.466 2.569 ( 0.211 -2.447 0.225) 2.466 2.614 ( -1.280 -4.416 1.360) 4.795 2.614 ( 1.280 -4.416 1.360) 4.795 2.751 ( -1.878 4.552 0.412) 4.941 2.751 ( 1.878 4.552 0.412) 4.941 2.846 ( -0.490 0.386 -1.936) 2.034 2.846 ( 0.490 0.386 -1.936) 2.034 3.045 ( -1.260 2.088 2.550) 3.528 3.045 ( 1.260 2.088 2.550) 3.528 3.124 ( -0.939 -0.301 1.899) 2.140 3.124 ( 0.939 -0.301 1.899) 2.140 3.197 ( -1.526 0.983 -1.300) 2.233 3.197 ( 1.526 0.983 -1.300) 2.233 3.246 ( -2.624 -3.314 -3.001) 5.184 3.246 ( 2.624 -3.314 -3.001) 5.184 9.019 ( -1.042 0.097 0.230) 1.072 9.019 ( 1.042 0.097 0.230) 1.072 9.067 ( -1.306 -2.467 -0.082) 2.793 9.067 ( 1.306 -2.467 -0.082) 2.793 9.341 ( -1.009 3.256 0.463) 3.440 9.341 ( 1.009 3.256 0.463) 3.440 9.364 ( -0.834 2.372 -0.160) 2.520 9.364 ( 0.834 2.372 -0.160) 2.520 11.176 ( -0.582 1.324 -0.002) 1.446 11.176 ( 0.582 1.324 -0.002) 1.446 11.234 ( -2.051 -1.041 0.003) 2.300 11.234 ( 2.051 -1.041 0.003) 2.300 11.345 ( -0.383 1.847 0.396) 1.927 11.345 ( 0.383 1.847 0.396) 1.927 11.423 ( -0.128 -0.869 0.086) 0.882 11.423 ( 0.128 -0.869 0.086) 0.882 11.839 ( -0.982 0.674 0.170) 1.203 11.839 ( 0.982 0.674 0.170) 1.203 11.904 ( -1.430 -1.228 -1.021) 2.144 11.904 ( 1.430 -1.228 -1.021) 2.144 23.960 ( -0.027 0.098 0.077) 0.127 23.960 ( 0.027 0.098 0.077) 0.127 23.964 ( -0.180 -0.108 0.062) 0.219 23.964 ( 0.180 -0.108 0.062) 0.219 24.440 ( -0.766 0.334 1.072) 1.359 24.440 ( 0.766 0.334 1.072) 1.359 24.479 ( -0.380 -1.647 0.139) 1.696 24.479 ( 0.380 -1.647 0.139) 1.696 24.836 ( -3.361 4.584 -0.656) 5.721 24.836 ( 3.361 4.584 -0.656) 5.721 24.984 ( -6.007 -1.140 -2.289) 6.529 24.984 ( 6.007 -1.140 -2.289) 6.529 25.293 ( -3.038 2.226 2.820) 4.705 25.293 ( 3.038 2.226 2.820) 4.705 25.468 ( -3.893 -4.877 -1.158) 6.347 25.468 ( 3.893 -4.877 -1.158) 6.347 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 -5.220 -1.508) 5.434 0.907 ( 0.000 5.220 -1.508) 5.434 1.097 ( 0.000 -1.049 4.692) 4.808 1.097 ( 0.000 1.049 4.692) 4.808 1.224 ( 0.000 -1.335 -2.070) 2.463 1.224 ( 0.000 1.335 -2.070) 2.463 1.280 ( 0.000 -2.688 0.110) 2.690 1.280 ( 0.000 2.688 0.110) 2.690 1.339 ( 0.000 -1.948 -1.271) 2.326 1.339 ( 0.000 1.948 -1.271) 2.326 1.411 ( 0.000 -0.760 -0.247) 0.799 1.411 ( 0.000 0.760 -0.247) 0.799 1.431 ( 0.000 -1.204 1.941) 2.284 1.431 ( 0.000 1.204 1.941) 2.284 1.512 ( 0.000 -3.304 1.711) 3.720 1.512 ( 0.000 3.304 1.711) 3.720 1.690 ( 0.000 -1.190 -4.684) 4.832 1.690 ( 0.000 1.190 -4.684) 4.832 1.783 ( 0.000 -2.663 -2.655) 3.761 1.783 ( 0.000 2.663 -2.655) 3.761 1.849 ( 0.000 -2.608 -0.402) 2.638 1.849 ( 0.000 2.608 -0.402) 2.638 1.927 ( 0.000 -2.229 0.910) 2.408 1.927 ( 0.000 2.229 0.910) 2.408 2.177 ( 0.000 -2.346 0.726) 2.455 2.177 ( 0.000 2.346 0.726) 2.455 2.325 ( 0.000 -3.656 0.417) 3.680 2.325 ( 0.000 3.656 0.417) 3.680 2.452 ( 0.000 -0.558 -0.484) 0.739 2.452 ( 0.000 0.558 -0.484) 0.739 2.507 ( 0.000 -0.778 0.186) 0.800 2.507 ( 0.000 0.778 0.186) 0.800 2.585 ( 0.000 -1.461 1.343) 1.985 2.585 ( 0.000 1.461 1.343) 1.985 2.659 ( 0.000 -0.731 0.844) 1.117 2.659 ( 0.000 0.731 0.844) 1.117 2.737 ( 0.000 -2.605 -1.962) 3.261 2.737 ( 0.000 2.605 -1.962) 3.261 2.912 ( 0.000 -0.066 -0.367) 0.372 2.912 ( 0.000 0.066 -0.367) 0.372 3.081 ( 0.000 -1.082 1.147) 1.576 3.081 ( 0.000 1.082 1.147) 1.576 3.135 ( 0.000 -0.723 1.199) 1.400 3.135 ( 0.000 0.723 1.199) 1.400 3.177 ( 0.000 -0.252 -1.601) 1.620 3.177 ( 0.000 0.252 -1.601) 1.620 3.254 ( 0.000 -5.679 0.273) 5.686 3.254 ( 0.000 5.679 0.273) 5.686 8.969 ( 0.000 -0.795 0.244) 0.832 8.969 ( 0.000 0.795 0.244) 0.832 9.049 ( 0.000 -0.939 -0.484) 1.056 9.049 ( 0.000 0.939 -0.484) 1.056 9.350 ( 0.000 -1.540 0.777) 1.725 9.350 ( 0.000 1.540 0.777) 1.725 9.404 ( 0.000 -1.742 -0.232) 1.758 9.404 ( 0.000 1.742 -0.232) 1.758 11.127 ( 0.000 -0.169 -0.484) 0.512 11.127 ( 0.000 0.169 -0.484) 0.512 11.345 ( 0.000 -2.663 -0.041) 2.663 11.345 ( 0.000 2.663 -0.041) 2.663 11.506 ( 0.000 -2.114 0.240) 2.128 11.506 ( 0.000 2.114 0.240) 2.128 11.557 ( 0.000 -2.298 0.708) 2.405 11.557 ( 0.000 2.298 0.708) 2.405 11.727 ( 0.000 -0.552 -0.528) 0.763 11.727 ( 0.000 0.552 -0.528) 0.763 11.734 ( 0.000 -0.060 -0.055) 0.081 11.734 ( 0.000 0.060 -0.055) 0.081 23.961 ( 0.000 -0.036 0.145) 0.150 23.961 ( 0.000 0.036 0.145) 0.150 23.970 ( 0.000 -0.092 0.157) 0.182 23.970 ( 0.000 0.092 0.157) 0.182 24.419 ( 0.000 -1.217 -0.678) 1.393 24.419 ( 0.000 1.217 -0.678) 1.393 24.459 ( 0.000 -1.283 0.664) 1.444 24.459 ( 0.000 1.283 0.664) 1.444 24.774 ( 0.000 -0.108 -0.072) 0.130 24.774 ( 0.000 0.108 -0.072) 0.130 25.004 ( 0.000 -1.327 0.842) 1.571 25.004 ( 0.000 1.327 0.842) 1.571 25.158 ( 0.000 -1.985 -1.064) 2.252 25.158 ( 0.000 1.985 -1.064) 2.252 25.558 ( 0.000 -2.642 -0.052) 2.643 25.558 ( 0.000 2.642 -0.052) 2.643 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 5.567 -5.117 -1.249) 7.664 0.964 ( 5.567 5.117 -1.249) 7.664 1.149 ( 4.064 -6.458 4.848) 9.040 1.149 ( 4.064 6.458 4.848) 9.040 1.234 ( 0.661 -2.376 -1.556) 2.916 1.234 ( 0.661 2.376 -1.556) 2.916 1.310 ( 1.322 -1.553 0.385) 2.076 1.310 ( 1.322 1.553 0.385) 2.076 1.372 ( 3.866 -3.753 -2.770) 6.058 1.372 ( 3.866 3.753 -2.770) 6.058 1.420 ( 0.736 -1.025 -0.785) 1.486 1.420 ( 0.736 1.025 -0.785) 1.486 1.464 ( 2.768 -1.174 2.234) 3.746 1.464 ( 2.768 1.174 2.234) 3.746 1.533 ( 2.350 -3.391 1.109) 4.272 1.533 ( 2.350 3.391 1.109) 4.272 1.682 ( -0.753 -2.433 -3.801) 4.575 1.682 ( -0.753 2.433 -3.801) 4.575 1.761 ( -1.813 -3.673 -1.357) 4.315 1.761 ( -1.813 3.673 -1.357) 4.315 1.884 ( 3.259 -8.459 -0.106) 9.065 1.884 ( 3.259 8.459 -0.106) 9.065 1.954 ( 2.572 -4.595 -1.282) 5.420 1.954 ( 2.572 4.595 -1.282) 5.420 2.186 ( 1.075 -2.903 1.188) 3.316 2.186 ( 1.075 2.903 1.188) 3.316 2.308 ( -1.067 -2.524 0.903) 2.885 2.308 ( -1.067 2.524 0.903) 2.885 2.425 ( -2.168 -0.914 -0.390) 2.385 2.425 ( -2.168 0.914 -0.390) 2.385 2.515 ( 0.077 -1.423 -0.261) 1.449 2.515 ( 0.077 1.423 -0.261) 1.449 2.571 ( -1.421 -2.356 0.875) 2.887 2.571 ( -1.421 2.356 0.875) 2.887 2.642 ( -1.552 -1.251 1.410) 2.442 2.642 ( -1.552 1.251 1.410) 2.442 2.751 ( 1.343 -2.463 -1.978) 3.433 2.751 ( 1.343 2.463 -1.978) 3.433 2.897 ( -1.309 -0.160 -0.055) 1.320 2.897 ( -1.309 0.160 -0.055) 1.320 3.088 ( 0.222 -1.825 0.814) 2.010 3.088 ( 0.222 1.825 0.814) 2.010 3.122 ( -0.693 -0.161 1.747) 1.886 3.122 ( -0.693 0.161 1.747) 1.886 3.190 ( 0.911 -0.447 -1.525) 1.832 3.190 ( 0.911 0.447 -1.525) 1.832 3.245 ( -0.919 -5.010 -0.242) 5.099 3.245 ( -0.919 5.010 -0.242) 5.099 8.977 ( 0.840 -0.756 0.182) 1.145 8.977 ( 0.840 0.756 0.182) 1.145 9.052 ( 0.178 -0.967 -0.303) 1.029 9.052 ( 0.178 0.967 -0.303) 1.029 9.359 ( 0.729 -1.596 0.609) 1.857 9.359 ( 0.729 1.596 0.609) 1.857 9.398 ( -0.524 -1.502 -0.168) 1.600 9.398 ( -0.524 1.502 -0.168) 1.600 11.139 ( 1.134 -0.102 -0.462) 1.229 11.139 ( 1.134 0.102 -0.462) 1.229 11.321 ( -2.446 -2.485 0.167) 3.491 11.321 ( -2.446 2.485 0.167) 3.491 11.455 ( -3.458 -1.921 0.098) 3.957 11.455 ( -3.458 1.921 0.098) 3.957 11.503 ( -4.164 -1.576 0.520) 4.482 11.503 ( -4.164 1.576 0.520) 4.482 11.775 ( 3.623 -1.798 -0.321) 4.057 11.775 ( 3.623 1.798 -0.321) 4.057 11.785 ( 3.699 -2.620 -0.176) 4.537 11.785 ( 3.699 2.620 -0.176) 4.537 23.960 ( -0.021 -0.049 0.120) 0.132 23.960 ( -0.021 0.049 0.120) 0.132 23.969 ( -0.130 -0.131 0.135) 0.229 23.969 ( -0.130 0.131 0.135) 0.229 24.425 ( 0.487 -1.309 -0.528) 1.493 24.425 ( 0.487 1.309 -0.528) 1.493 24.461 ( 0.207 -0.985 0.700) 1.226 24.461 ( 0.207 0.985 0.700) 1.226 24.775 ( 0.635 -0.693 -0.539) 1.084 24.775 ( 0.635 0.693 -0.539) 1.084 25.043 ( 2.280 -2.762 2.258) 4.234 25.043 ( 2.280 2.762 2.258) 4.234 25.179 ( 2.518 -2.940 -2.678) 4.707 25.179 ( 2.518 2.940 -2.678) 4.707 25.520 ( -3.333 -3.259 0.499) 4.688 25.520 ( -3.333 3.259 0.499) 4.688 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 6.712 -3.586 -0.177) 7.612 1.098 ( 6.712 3.586 -0.177) 7.612 1.221 ( 1.376 -5.883 3.299) 6.884 1.221 ( 1.376 5.883 3.299) 6.884 1.255 ( 2.611 -1.293 -1.013) 3.085 1.255 ( 2.611 1.293 -1.013) 3.085 1.322 ( 0.247 -1.690 0.510) 1.782 1.322 ( 0.247 1.690 0.510) 1.782 1.412 ( 0.160 -1.352 -2.222) 2.606 1.412 ( 0.160 1.352 -2.222) 2.606 1.451 ( 1.069 -3.285 -1.989) 3.987 1.451 ( 1.069 3.285 -1.989) 3.987 1.518 ( 2.510 -2.162 0.538) 3.357 1.518 ( 2.510 2.162 0.538) 3.357 1.587 ( 0.781 -2.442 0.249) 2.576 1.587 ( 0.781 2.442 0.249) 2.576 1.675 ( 0.896 -3.169 -0.637) 3.355 1.675 ( 0.896 3.169 -0.637) 3.355 1.733 ( -0.488 -3.570 -1.058) 3.755 1.733 ( -0.488 3.570 -1.058) 3.755 1.963 ( 4.167 -6.304 -1.873) 7.786 1.963 ( 4.167 6.304 -1.873) 7.786 2.017 ( 3.118 -1.531 -0.897) 3.587 2.017 ( 3.118 1.531 -0.897) 3.587 2.227 ( 2.597 -4.537 1.241) 5.373 2.227 ( 2.597 4.537 1.241) 5.373 2.310 ( 1.909 -1.226 1.636) 2.797 2.310 ( 1.909 1.226 1.636) 2.797 2.374 ( -2.773 -2.293 -0.978) 3.729 2.374 ( -2.773 2.293 -0.978) 3.729 2.492 ( -2.422 -0.725 0.662) 2.614 2.492 ( -2.422 0.725 0.662) 2.614 2.542 ( -0.911 -1.086 0.006) 1.418 2.542 ( -0.911 1.086 0.006) 1.418 2.601 ( -2.588 -1.299 1.878) 3.452 2.601 ( -2.588 1.299 1.878) 3.452 2.784 ( 1.894 -2.169 -1.524) 3.257 2.784 ( 1.894 2.169 -1.524) 3.257 2.865 ( -1.859 -0.711 -0.090) 1.992 2.865 ( -1.859 0.711 -0.090) 1.992 3.082 ( -0.237 -1.560 1.078) 1.911 3.082 ( -0.237 1.560 1.078) 1.911 3.115 ( -0.516 -1.312 1.931) 2.390 3.115 ( -0.516 1.312 1.931) 2.390 3.203 ( 0.312 -1.065 -1.368) 1.761 3.203 ( 0.312 1.065 -1.368) 1.761 3.223 ( -0.974 -2.361 -1.230) 2.835 3.223 ( -0.974 2.361 -1.230) 2.835 9.001 ( 1.463 -0.771 0.069) 1.656 9.001 ( 1.463 0.771 0.069) 1.656 9.051 ( -0.495 -1.006 -0.046) 1.122 9.051 ( -0.495 1.006 -0.046) 1.122 9.373 ( 0.579 -1.325 0.338) 1.485 9.373 ( 0.579 1.325 0.338) 1.485 9.388 ( -0.421 -0.839 0.026) 0.939 9.388 ( -0.421 0.839 0.026) 0.939 11.169 ( 1.751 -0.289 -0.375) 1.814 11.169 ( 1.751 0.289 -0.375) 1.814 11.260 ( -3.147 -1.861 0.256) 3.665 11.260 ( -3.147 1.861 0.256) 3.665 11.402 ( -1.742 -1.699 0.034) 2.433 11.402 ( -1.742 1.699 0.034) 2.433 11.425 ( -3.147 -1.224 0.401) 3.400 11.425 ( -3.147 1.224 0.401) 3.400 11.840 ( 2.563 -0.132 -0.228) 2.576 11.840 ( 2.563 0.132 -0.228) 2.576 11.849 ( 2.287 -2.559 -0.325) 3.448 11.849 ( 2.287 2.559 -0.325) 3.448 23.960 ( 0.034 -0.025 0.082) 0.092 23.960 ( 0.034 0.025 0.082) 0.092 23.965 ( -0.195 -0.158 0.092) 0.267 23.965 ( -0.195 0.158 0.092) 0.267 24.437 ( 0.736 -1.121 0.020) 1.341 24.437 ( 0.736 1.121 0.020) 1.341 24.463 ( -0.151 -0.769 0.668) 1.030 24.463 ( -0.151 0.769 0.668) 1.030 24.818 ( 3.902 -1.629 -1.159) 4.384 24.818 ( 3.902 1.629 -1.159) 4.384 25.030 ( -3.728 -3.878 0.435) 5.396 25.030 ( -3.728 3.878 0.435) 5.396 25.268 ( 5.621 -3.685 -1.505) 6.887 25.268 ( 5.621 3.685 -1.505) 6.887 25.447 ( -3.622 -4.163 1.381) 5.688 25.447 ( -3.622 4.163 1.381) 5.688 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -2.543 -1.809 1.287) 3.376 1.198 ( -0.813 -1.350 1.287) 2.035 1.198 ( 0.813 1.350 1.287) 2.035 1.198 ( 2.543 1.809 1.287) 3.376 1.312 ( -1.161 -5.677 -0.463) 5.813 1.312 ( 0.757 -5.660 -0.463) 5.730 1.312 ( -0.757 5.660 -0.463) 5.730 1.312 ( 1.161 5.677 -0.463) 5.813 1.432 ( -1.872 -2.864 -1.376) 3.687 1.432 ( 1.344 -2.789 -1.376) 3.388 1.432 ( -1.344 2.789 -1.376) 3.388 1.432 ( 1.872 2.864 -1.376) 3.687 1.562 ( -1.784 -0.891 -0.813) 2.153 1.562 ( -0.805 -0.400 -0.813) 1.211 1.562 ( 0.805 0.400 -0.813) 1.211 1.562 ( 1.784 0.891 -0.813) 2.153 1.713 ( -1.738 -3.439 -0.037) 3.854 1.713 ( 1.163 -3.378 -0.037) 3.573 1.713 ( -1.163 3.378 -0.037) 3.573 1.713 ( 1.738 3.439 -0.037) 3.854 2.035 ( -1.260 -4.521 -1.138) 4.830 2.035 ( 0.506 -4.484 -1.138) 4.654 2.035 ( -0.506 4.484 -1.138) 4.654 2.035 ( 1.260 4.521 -1.138) 4.830 2.284 ( -3.668 -3.654 -0.481) 5.199 2.284 ( 3.545 -3.623 -0.481) 5.092 2.284 ( -3.545 3.623 -0.481) 5.092 2.284 ( 3.668 3.654 -0.481) 5.199 2.416 ( -4.749 -1.380 2.004) 5.336 2.416 ( -3.904 -0.277 2.004) 4.397 2.416 ( 3.904 0.277 2.004) 4.397 2.416 ( 4.749 1.380 2.004) 5.336 2.550 ( -1.712 -0.924 0.564) 2.026 2.550 ( -0.557 -0.445 0.564) 0.909 2.550 ( 0.557 0.445 0.564) 0.909 2.550 ( 1.712 0.924 0.564) 2.026 2.825 ( -1.616 -2.508 -0.688) 3.062 2.825 ( 0.411 -2.383 -0.688) 2.514 2.825 ( -0.411 2.383 -0.688) 2.514 2.825 ( 1.616 2.508 -0.688) 3.062 3.094 ( -1.235 -2.538 1.479) 3.187 3.094 ( 1.183 -2.532 1.479) 3.162 3.094 ( -1.183 2.532 1.479) 3.162 3.094 ( 1.235 2.538 1.479) 3.187 3.209 ( -0.477 -0.751 -1.398) 1.657 3.209 ( 0.456 -0.748 -1.398) 1.650 3.209 ( -0.456 0.748 -1.398) 1.650 3.209 ( 0.477 0.751 -1.398) 1.657 9.031 ( -1.257 -1.131 0.022) 1.692 9.031 ( 0.414 -0.963 0.022) 1.049 9.031 ( -0.414 0.963 0.022) 1.049 9.031 ( 1.257 1.131 0.022) 1.692 9.381 ( -0.220 -0.663 0.197) 0.726 9.381 ( 0.133 -0.657 0.197) 0.699 9.381 ( -0.133 0.657 0.197) 0.699 9.381 ( 0.220 0.663 0.197) 0.726 11.207 ( -1.801 -1.487 -0.102) 2.338 11.207 ( -0.268 -1.191 -0.102) 1.225 11.207 ( 0.268 1.191 -0.102) 1.225 11.207 ( 1.801 1.487 -0.102) 2.338 11.388 ( -0.285 -2.327 0.257) 2.358 11.388 ( 0.215 -2.325 0.257) 2.349 11.388 ( -0.215 2.325 0.257) 2.349 11.388 ( 0.285 2.327 0.257) 2.358 11.870 ( -0.198 -2.041 -0.298) 2.072 11.870 ( 0.189 -2.041 -0.298) 2.071 11.870 ( -0.189 2.041 -0.298) 2.071 11.870 ( 0.198 2.041 -0.298) 2.072 23.962 ( -0.135 -0.105 0.069) 0.185 23.962 ( 0.086 -0.090 0.069) 0.143 23.962 ( -0.086 0.090 0.069) 0.143 23.962 ( 0.135 0.105 0.069) 0.185 24.453 ( -0.695 -0.955 0.498) 1.282 24.453 ( 0.513 -0.926 0.498) 1.170 24.453 ( -0.513 0.926 0.498) 1.170 24.453 ( 0.695 0.955 0.498) 1.282 24.923 ( -5.441 -4.008 -1.227) 6.868 24.923 ( -0.106 -2.944 -1.227) 3.191 24.923 ( 0.106 2.944 -1.227) 3.191 24.923 ( 5.441 4.008 -1.227) 6.868 25.371 ( -3.953 -4.854 0.677) 6.296 25.371 ( 2.248 -4.573 0.677) 5.141 25.371 ( -2.248 4.573 0.677) 5.141 25.371 ( 3.953 4.854 0.677) 6.296 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 0.000 -11.290) 11.290 0.559 ( 0.000 0.000 11.290) 11.290 0.632 ( 0.000 0.000 -10.375) 10.375 0.632 ( 0.000 0.000 10.375) 10.375 1.146 ( 0.000 0.000 -14.185) 14.185 1.146 ( 0.000 0.000 14.185) 14.185 1.192 ( 0.000 0.000 -0.728) 0.728 1.192 ( 0.000 0.000 0.728) 0.728 1.322 ( 0.000 0.000 -9.752) 9.752 1.322 ( 0.000 0.000 9.752) 9.752 1.443 ( 0.000 0.000 -1.673) 1.673 1.443 ( 0.000 0.000 1.673) 1.673 1.502 ( 0.000 0.000 -2.848) 2.848 1.502 ( 0.000 0.000 2.848) 2.848 1.581 ( 0.000 0.000 -4.313) 4.313 1.581 ( 0.000 0.000 4.313) 4.313 1.644 ( 0.000 0.000 -0.566) 0.566 1.644 ( 0.000 0.000 0.566) 0.566 1.655 ( 0.000 0.000 -5.663) 5.663 1.655 ( 0.000 0.000 5.663) 5.663 1.744 ( 0.000 0.000 -1.361) 1.361 1.744 ( 0.000 0.000 1.361) 1.361 1.929 ( 0.000 0.000 -2.952) 2.952 1.929 ( 0.000 0.000 2.952) 2.952 2.224 ( 0.000 0.000 -2.263) 2.263 2.224 ( 0.000 0.000 2.263) 2.263 2.258 ( 0.000 0.000 -3.944) 3.944 2.258 ( 0.000 0.000 3.944) 3.944 2.383 ( 0.000 0.000 -1.089) 1.089 2.383 ( 0.000 0.000 1.089) 1.089 2.533 ( 0.000 0.000 -1.648) 1.648 2.533 ( 0.000 0.000 1.648) 1.648 2.629 ( 0.000 0.000 -1.886) 1.886 2.629 ( 0.000 0.000 1.886) 1.886 2.650 ( 0.000 0.000 -3.097) 3.097 2.650 ( 0.000 0.000 3.097) 3.097 2.696 ( 0.000 0.000 -2.118) 2.118 2.696 ( 0.000 0.000 2.118) 2.118 2.848 ( 0.000 0.000 -1.514) 1.514 2.848 ( 0.000 0.000 1.514) 1.514 2.870 ( 0.000 0.000 -0.722) 0.722 2.870 ( 0.000 0.000 0.722) 0.722 3.017 ( 0.000 0.000 -2.019) 2.019 3.017 ( 0.000 0.000 2.019) 2.019 3.113 ( 0.000 0.000 -3.295) 3.295 3.113 ( 0.000 0.000 3.295) 3.295 3.610 ( 0.000 0.000 -9.197) 9.197 3.610 ( 0.000 0.000 9.197) 9.197 9.006 ( 0.000 0.000 -1.934) 1.934 9.006 ( 0.000 0.000 1.934) 1.934 9.094 ( 0.000 0.000 -0.257) 0.257 9.094 ( 0.000 0.000 0.257) 0.257 9.226 ( 0.000 0.000 -2.407) 2.407 9.226 ( 0.000 0.000 2.407) 2.407 9.229 ( 0.000 0.000 -0.036) 0.036 9.229 ( 0.000 0.000 0.036) 0.036 11.252 ( 0.000 0.000 -0.013) 0.013 11.252 ( 0.000 0.000 0.013) 0.013 11.307 ( 0.000 0.000 -2.654) 2.654 11.307 ( 0.000 0.000 2.654) 2.654 11.393 ( 0.000 0.000 -0.137) 0.137 11.393 ( 0.000 0.000 0.137) 0.137 11.430 ( 0.000 0.000 -1.325) 1.325 11.430 ( 0.000 0.000 1.325) 1.325 11.630 ( 0.000 0.000 -0.166) 0.166 11.630 ( 0.000 0.000 0.166) 0.166 11.938 ( 0.000 0.000 -2.567) 2.567 11.938 ( 0.000 0.000 2.567) 2.567 23.964 ( 0.000 0.000 -0.066) 0.066 23.964 ( 0.000 0.000 0.066) 0.066 23.970 ( 0.000 0.000 -0.062) 0.062 23.970 ( 0.000 0.000 0.062) 0.062 24.462 ( 0.000 0.000 -3.146) 3.146 24.462 ( 0.000 0.000 3.146) 3.146 24.568 ( 0.000 0.000 -0.124) 0.124 24.568 ( 0.000 0.000 0.124) 0.124 24.595 ( 0.000 0.000 -0.395) 0.395 24.595 ( 0.000 0.000 0.395) 0.395 24.991 ( 0.000 0.000 -2.809) 2.809 24.991 ( 0.000 0.000 2.809) 2.809 25.311 ( 0.000 0.000 -4.024) 4.024 25.311 ( 0.000 0.000 4.024) 4.024 25.510 ( 0.000 0.000 -0.615) 0.615 25.510 ( 0.000 0.000 0.615) 0.615 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 6.441 0.000 -9.911) 11.820 0.630 ( 6.441 0.000 9.911) 11.820 0.696 ( 5.374 0.000 -10.568) 11.855 0.696 ( 5.374 0.000 10.568) 11.855 1.160 ( -2.977 0.000 -3.023) 4.243 1.160 ( -2.977 0.000 3.023) 4.243 1.206 ( 2.825 0.000 -6.504) 7.091 1.206 ( 2.825 0.000 6.504) 7.091 1.347 ( 4.357 0.000 -12.394) 13.137 1.347 ( 4.357 0.000 12.394) 13.137 1.444 ( -0.166 0.000 -2.103) 2.109 1.444 ( -0.166 0.000 2.103) 2.109 1.517 ( 1.307 0.000 -1.441) 1.946 1.517 ( 1.307 0.000 1.441) 1.946 1.580 ( -0.029 0.000 -3.539) 3.539 1.580 ( -0.029 0.000 3.539) 3.539 1.630 ( 1.003 0.000 -1.739) 2.008 1.630 ( 1.003 0.000 1.739) 2.008 1.690 ( 1.818 0.000 -1.249) 2.206 1.690 ( 1.818 0.000 1.249) 2.206 1.764 ( 1.696 0.000 -2.138) 2.729 1.764 ( 1.696 0.000 2.138) 2.729 1.940 ( 1.005 0.000 -2.779) 2.956 1.940 ( 1.005 0.000 2.779) 2.956 2.223 ( -0.067 0.000 -2.280) 2.281 2.223 ( -0.067 0.000 2.280) 2.281 2.232 ( -1.801 0.000 -1.383) 2.271 2.232 ( -1.801 0.000 1.383) 2.271 2.406 ( 0.270 0.000 -1.794) 1.814 2.406 ( 0.270 0.000 1.794) 1.814 2.534 ( 0.064 0.000 -1.956) 1.957 2.534 ( 0.064 0.000 1.956) 1.957 2.546 ( -5.167 0.000 -0.469) 5.188 2.546 ( -5.167 0.000 0.469) 5.188 2.658 ( 0.709 0.000 -2.575) 2.670 2.658 ( 0.709 0.000 2.575) 2.670 2.707 ( 1.124 0.000 -4.054) 4.207 2.707 ( 1.124 0.000 4.054) 4.207 2.843 ( -0.496 0.000 -1.262) 1.356 2.843 ( -0.496 0.000 1.262) 1.356 2.913 ( 2.452 0.000 -3.822) 4.541 2.913 ( 2.452 0.000 3.822) 4.541 3.016 ( -0.070 0.000 -1.743) 1.744 3.016 ( -0.070 0.000 1.743) 1.744 3.137 ( 2.429 0.000 -3.441) 4.211 3.137 ( 2.429 0.000 3.441) 4.211 3.564 ( -4.460 0.000 -9.174) 10.201 3.564 ( -4.460 0.000 9.174) 10.201 9.019 ( 1.123 0.000 -1.944) 2.246 9.019 ( 1.123 0.000 1.944) 2.246 9.103 ( 0.860 0.000 -0.237) 0.892 9.103 ( 0.860 0.000 0.237) 0.892 9.219 ( -0.900 0.000 -0.018) 0.901 9.219 ( -0.900 0.000 0.018) 0.901 9.236 ( 0.636 0.000 -2.425) 2.507 9.236 ( 0.636 0.000 2.425) 2.507 11.242 ( -4.108 0.000 -2.609) 4.867 11.242 ( -4.108 0.000 2.609) 4.867 11.259 ( 0.729 0.000 -0.033) 0.730 11.259 ( 0.729 0.000 0.033) 0.730 11.387 ( -0.661 0.000 -0.139) 0.675 11.387 ( -0.661 0.000 0.139) 0.675 11.400 ( -2.968 0.000 -4.073) 5.040 11.400 ( -2.968 0.000 4.073) 5.040 11.688 ( 4.280 0.000 -2.558) 4.986 11.688 ( 4.280 0.000 2.558) 4.986 11.943 ( 0.368 0.000 -1.816) 1.853 11.943 ( 0.368 0.000 1.816) 1.853 23.963 ( -0.081 0.000 -0.366) 0.375 23.963 ( -0.081 0.000 0.366) 0.375 23.969 ( -0.055 0.000 -0.168) 0.177 23.969 ( -0.055 0.000 0.168) 0.177 24.473 ( 1.108 0.000 -3.158) 3.347 24.473 ( 1.108 0.000 3.158) 3.347 24.570 ( 0.174 0.000 -0.109) 0.205 24.570 ( 0.174 0.000 0.109) 0.205 24.594 ( -0.133 0.000 -0.366) 0.389 24.594 ( -0.133 0.000 0.366) 0.389 24.929 ( -5.084 0.000 -5.948) 7.824 24.929 ( -5.084 0.000 5.948) 7.824 25.356 ( 3.564 0.000 -4.024) 5.375 25.356 ( 3.564 0.000 4.024) 5.375 25.538 ( 2.314 0.000 -4.648) 5.192 25.538 ( 2.314 0.000 4.648) 5.192 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 8.008 0.000 -7.365) 10.880 0.782 ( 8.008 0.000 7.365) 10.880 0.813 ( 5.913 0.000 -8.723) 10.538 0.813 ( 5.913 0.000 8.723) 10.538 1.081 ( -4.836 0.000 -4.214) 6.414 1.081 ( -4.836 0.000 4.214) 6.414 1.164 ( -5.047 0.000 -3.486) 6.134 1.164 ( -5.047 0.000 3.486) 6.134 1.434 ( -0.688 0.000 -1.593) 1.735 1.434 ( -0.688 0.000 1.593) 1.735 1.517 ( 8.199 0.000 -3.792) 9.033 1.517 ( 8.199 0.000 3.792) 9.033 1.552 ( 2.660 0.000 -2.842) 3.893 1.552 ( 2.660 0.000 2.842) 3.893 1.581 ( 0.103 0.000 -1.768) 1.771 1.581 ( 0.103 0.000 1.768) 1.771 1.675 ( 2.296 0.000 -1.014) 2.510 1.675 ( 2.296 0.000 1.014) 2.510 1.727 ( 1.670 0.000 -1.718) 2.395 1.727 ( 1.670 0.000 1.718) 2.395 1.818 ( 5.056 0.000 -4.603) 6.838 1.818 ( 5.056 0.000 4.603) 6.838 1.963 ( 1.072 0.000 -1.874) 2.159 1.963 ( 1.072 0.000 1.874) 2.159 2.179 ( -4.698 0.000 -4.022) 6.184 2.179 ( -4.698 0.000 4.022) 6.184 2.222 ( -0.060 0.000 -1.662) 1.663 2.222 ( -0.060 0.000 1.662) 1.663 2.352 ( -3.979 0.000 -0.957) 4.093 2.352 ( -3.979 0.000 0.957) 4.093 2.483 ( -1.434 0.000 -0.134) 1.440 2.483 ( -1.434 0.000 0.134) 1.440 2.536 ( 0.121 0.000 -1.565) 1.569 2.536 ( 0.121 0.000 1.565) 1.569 2.673 ( 0.693 0.000 -1.437) 1.595 2.673 ( 0.693 0.000 1.437) 1.595 2.762 ( 3.754 0.000 -3.345) 5.028 2.762 ( 3.754 0.000 3.345) 5.028 2.832 ( -0.563 0.000 -0.645) 0.857 2.832 ( -0.563 0.000 0.645) 0.857 2.943 ( 0.849 0.000 -5.441) 5.507 2.943 ( 0.849 0.000 5.441) 5.507 3.014 ( -0.066 0.000 -0.999) 1.001 3.014 ( -0.066 0.000 0.999) 1.001 3.202 ( 3.827 0.000 -3.773) 5.374 3.202 ( 3.827 0.000 3.773) 5.374 3.442 ( -7.335 0.000 -8.404) 11.155 3.442 ( -7.335 0.000 8.404) 11.155 9.043 ( 1.107 0.000 -1.522) 1.882 9.043 ( 1.107 0.000 1.522) 1.882 9.127 ( 1.490 0.000 -0.183) 1.501 9.127 ( 1.490 0.000 0.183) 1.501 9.195 ( -1.530 0.000 -0.044) 1.531 9.195 ( -1.530 0.000 0.044) 1.531 9.240 ( -0.200 0.000 -2.045) 2.054 9.240 ( -0.200 0.000 2.045) 2.054 11.199 ( 0.164 0.000 -2.096) 2.102 11.199 ( 0.164 0.000 2.096) 2.102 11.278 ( 0.991 0.000 -0.060) 0.993 11.278 ( 0.991 0.000 0.060) 0.993 11.324 ( -4.272 0.000 -2.876) 5.149 11.324 ( -4.272 0.000 2.876) 5.149 11.370 ( -0.923 0.000 -0.120) 0.931 11.370 ( -0.923 0.000 0.120) 0.931 11.763 ( 2.893 0.000 -1.854) 3.436 11.763 ( 2.893 0.000 1.854) 3.436 11.946 ( -0.112 0.000 -0.908) 0.915 11.946 ( -0.112 0.000 0.908) 0.915 23.961 ( -0.122 0.000 -0.306) 0.329 23.961 ( -0.122 0.000 0.306) 0.329 23.968 ( -0.015 0.000 -0.124) 0.125 23.968 ( -0.015 0.000 0.124) 0.125 24.505 ( 1.891 0.000 -2.831) 3.404 24.505 ( 1.891 0.000 2.831) 3.404 24.575 ( 0.254 0.000 -0.094) 0.270 24.575 ( 0.254 0.000 0.094) 0.270 24.590 ( -0.213 0.000 -0.269) 0.343 24.590 ( -0.213 0.000 0.269) 0.343 24.826 ( -4.550 0.000 -6.032) 7.556 24.826 ( -4.550 0.000 6.032) 7.556 25.424 ( 2.808 0.000 -3.799) 4.724 25.424 ( 2.808 0.000 3.799) 4.724 25.581 ( 1.632 0.000 -6.106) 6.320 25.581 ( 1.632 0.000 6.106) 6.320 ======================= Grid point 132 (44/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.000 0.000 0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 0.901 ( -0.000 0.000 -0.000) 0.000 0.901 ( 0.000 0.000 0.000) 0.000 0.996 ( 0.000 0.000 -0.000) 0.000 0.996 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 -0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 -0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 -0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 -0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 -0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.960 ( -0.000 0.000 -0.000) 0.000 1.960 ( -0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 -0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 -0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 -0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 -0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 -0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.307 ( -0.000 0.000 -0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 -0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 -0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 11.230 ( 0.000 0.000 -0.000) 0.000 11.230 ( 0.000 0.000 0.000) 0.000 11.253 ( -0.000 0.000 -0.000) 0.000 11.253 ( -0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 -0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 0.000 -0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 23.959 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 -0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.529 ( 0.000 0.000 0.000) 0.000 24.529 ( 0.000 0.000 0.000) 0.000 24.578 ( 0.000 0.000 -0.000) 0.000 24.578 ( 0.000 0.000 0.000) 0.000 24.587 ( 0.000 0.000 0.000) 0.000 24.587 ( 0.000 0.000 0.000) 0.000 24.774 ( 0.000 0.000 0.000) 0.000 24.774 ( 0.000 0.000 0.000) 0.000 25.454 ( 0.000 0.000 -0.000) 0.000 25.454 ( 0.000 0.000 0.000) 0.000 25.598 ( 0.000 0.000 0.000) 0.000 25.598 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (45/60) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 7.336 -5.147) 8.961 0.664 ( 0.000 7.336 5.147) 8.961 0.682 ( 0.000 6.175 -3.548) 7.122 0.682 ( 0.000 6.175 3.548) 7.122 1.113 ( 0.000 0.444 -5.956) 5.972 1.113 ( 0.000 0.444 5.956) 5.972 1.252 ( 0.000 0.410 -4.563) 4.581 1.252 ( 0.000 0.410 4.563) 4.581 1.378 ( 0.000 5.825 -9.624) 11.250 1.378 ( 0.000 5.825 9.624) 11.250 1.484 ( 0.000 2.803 -2.064) 3.481 1.484 ( 0.000 2.803 2.064) 3.481 1.497 ( 0.000 0.832 -1.958) 2.127 1.497 ( 0.000 0.832 1.958) 2.127 1.559 ( 0.000 -1.420 -2.441) 2.824 1.559 ( 0.000 -1.420 2.441) 2.824 1.630 ( 0.000 -1.790 -2.733) 3.267 1.630 ( 0.000 -1.790 2.733) 3.267 1.668 ( 0.000 0.894 -3.103) 3.229 1.668 ( 0.000 0.894 3.103) 3.229 1.728 ( 0.000 -1.389 -0.293) 1.419 1.728 ( 0.000 -1.389 0.293) 1.419 1.968 ( 0.000 3.769 -0.262) 3.778 1.968 ( 0.000 3.769 0.262) 3.778 2.193 ( 0.000 -2.340 -0.532) 2.400 2.193 ( 0.000 -2.340 0.532) 2.400 2.264 ( 0.000 -0.232 -2.000) 2.013 2.264 ( 0.000 -0.232 2.000) 2.013 2.390 ( 0.000 0.945 -0.111) 0.951 2.390 ( 0.000 0.945 0.111) 0.951 2.554 ( 0.000 1.742 -1.398) 2.234 2.554 ( 0.000 1.742 1.398) 2.234 2.614 ( 0.000 -0.760 -3.679) 3.756 2.614 ( 0.000 -0.760 3.679) 3.756 2.639 ( 0.000 -0.654 -2.469) 2.554 2.639 ( 0.000 -0.654 2.469) 2.554 2.694 ( 0.000 -0.739 -2.583) 2.687 2.694 ( 0.000 -0.739 2.583) 2.687 2.830 ( 0.000 -0.534 -2.074) 2.142 2.830 ( 0.000 -0.534 2.074) 2.142 2.934 ( 0.000 4.799 -1.024) 4.907 2.934 ( 0.000 4.799 1.024) 4.907 3.046 ( 0.000 2.424 -1.875) 3.065 3.046 ( 0.000 2.424 1.875) 3.065 3.116 ( 0.000 0.299 -3.192) 3.206 3.116 ( 0.000 0.299 3.192) 3.206 3.545 ( 0.000 -5.744 -9.100) 10.761 3.545 ( 0.000 -5.744 9.100) 10.761 8.989 ( 0.000 -1.191 -1.734) 2.104 8.989 ( 0.000 -1.191 1.734) 2.104 9.128 ( 0.000 2.243 -0.004) 2.243 9.128 ( 0.000 2.243 0.004) 2.243 9.178 ( 0.000 -1.468 -0.741) 1.645 9.178 ( 0.000 -1.468 0.741) 1.645 9.292 ( 0.000 3.502 -1.299) 3.735 9.292 ( 0.000 3.502 1.299) 3.735 11.148 ( 0.000 -4.588 -1.712) 4.897 11.148 ( 0.000 -4.588 1.712) 4.897 11.386 ( 0.000 0.150 -0.254) 0.295 11.386 ( 0.000 0.150 0.254) 0.295 11.406 ( 0.000 3.651 -1.949) 4.138 11.406 ( 0.000 3.651 1.949) 4.138 11.472 ( 0.000 3.378 -0.711) 3.452 11.472 ( 0.000 3.378 0.711) 3.452 11.635 ( 0.000 0.777 -1.123) 1.366 11.635 ( 0.000 0.777 1.123) 1.366 11.908 ( 0.000 -2.742 -2.471) 3.691 11.908 ( 0.000 -2.742 2.471) 3.691 23.965 ( 0.000 0.057 -0.099) 0.114 23.965 ( 0.000 0.057 0.099) 0.114 23.969 ( 0.000 -0.046 -0.004) 0.046 23.969 ( 0.000 -0.046 0.004) 0.046 24.454 ( 0.000 -0.710 -2.864) 2.950 24.454 ( 0.000 -0.710 2.864) 2.950 24.561 ( 0.000 -1.346 -0.743) 1.538 24.561 ( 0.000 -1.346 0.743) 1.538 24.622 ( 0.000 2.938 -0.415) 2.967 24.622 ( 0.000 2.938 0.415) 2.967 24.999 ( 0.000 0.580 -2.424) 2.493 24.999 ( 0.000 0.580 2.424) 2.493 25.290 ( 0.000 -2.056 -3.698) 4.231 25.290 ( 0.000 -2.056 3.698) 4.231 25.507 ( 0.000 0.006 -1.780) 1.780 25.507 ( 0.000 0.006 1.780) 1.780 ======================= Grid point 142 (46/60) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 4.337 6.076 -3.684) 8.324 0.707 ( 4.337 6.076 3.684) 8.324 0.767 ( 6.780 6.938 -3.189) 10.211 0.767 ( 6.780 6.938 3.189) 10.211 1.134 ( 0.567 -0.296 -1.536) 1.664 1.134 ( 0.567 -0.296 1.536) 1.664 1.246 ( -0.978 1.631 -3.476) 3.962 1.246 ( -0.978 1.631 3.476) 3.962 1.391 ( 2.484 4.097 -8.346) 9.623 1.391 ( 2.484 4.097 8.346) 9.623 1.499 ( -0.450 0.483 -1.832) 1.948 1.499 ( -0.450 0.483 1.832) 1.948 1.517 ( 2.103 2.130 -1.088) 3.185 1.517 ( 2.103 2.130 1.088) 3.185 1.563 ( 1.401 1.036 -3.015) 3.482 1.563 ( 1.401 1.036 3.015) 3.482 1.616 ( 0.810 -1.028 -1.571) 2.045 1.616 ( 0.810 -1.028 1.571) 2.045 1.695 ( 1.740 -0.664 -0.768) 2.014 1.695 ( 1.740 -0.664 0.768) 2.014 1.755 ( 2.169 -0.551 -1.834) 2.893 1.755 ( 2.169 -0.551 1.834) 2.893 1.970 ( 0.297 3.031 -1.088) 3.234 1.970 ( 0.297 3.031 1.088) 3.234 2.195 ( 0.304 -2.105 -1.060) 2.377 2.195 ( 0.304 -2.105 1.060) 2.377 2.254 ( -1.273 0.970 -1.057) 1.918 2.254 ( -1.273 0.970 1.057) 1.918 2.387 ( -0.574 -0.982 -1.092) 1.577 2.387 ( -0.574 -0.982 1.092) 1.577 2.520 ( -3.639 -0.709 -1.653) 4.059 2.520 ( -3.639 -0.709 1.653) 4.059 2.584 ( -1.052 3.197 -1.934) 3.882 2.584 ( -1.052 3.197 1.934) 3.882 2.638 ( 1.738 -1.521 -3.284) 4.015 2.638 ( 1.738 -1.521 3.284) 4.015 2.723 ( 0.606 1.485 -2.223) 2.741 2.723 ( 0.606 1.485 2.223) 2.741 2.838 ( 0.016 -1.830 -1.601) 2.432 2.838 ( 0.016 -1.830 1.601) 2.432 2.939 ( 0.804 3.338 -1.950) 3.948 2.939 ( 0.804 3.338 1.950) 3.948 3.051 ( 0.447 2.902 -1.662) 3.374 3.051 ( 0.447 2.902 1.662) 3.374 3.140 ( 2.170 0.272 -3.274) 3.938 3.140 ( 2.170 0.272 3.274) 3.938 3.506 ( -3.924 -5.283 -9.006) 11.154 3.506 ( -3.924 -5.283 9.006) 11.154 9.003 ( 1.239 -1.159 -1.658) 2.372 9.003 ( 1.239 -1.159 1.658) 2.372 9.138 ( 0.972 2.558 -0.150) 2.741 9.138 ( 0.972 2.558 0.150) 2.741 9.185 ( 0.443 -1.660 -0.739) 1.870 9.185 ( 0.443 -1.660 0.739) 1.870 9.281 ( -1.054 3.156 -1.314) 3.577 9.281 ( -1.054 3.156 1.314) 3.577 11.154 ( 0.574 -3.708 -1.637) 4.093 11.154 ( 0.574 -3.708 1.637) 4.093 11.330 ( -3.999 2.073 -1.215) 4.666 11.330 ( -3.999 2.073 1.215) 4.666 11.398 ( -1.208 1.589 -1.786) 2.678 11.398 ( -1.208 1.589 1.786) 2.678 11.423 ( -2.989 1.683 -1.850) 3.897 11.423 ( -2.989 1.683 1.850) 3.897 11.709 ( 4.885 1.801 -2.354) 5.714 11.709 ( 4.885 1.801 2.354) 5.714 11.915 ( 0.500 -2.602 -1.659) 3.126 11.915 ( 0.500 -2.602 1.659) 3.126 23.964 ( -0.107 0.044 -0.309) 0.330 23.964 ( -0.107 0.044 0.309) 0.330 23.968 ( -0.050 -0.051 -0.142) 0.159 23.968 ( -0.050 -0.051 0.142) 0.159 24.463 ( 0.798 -0.811 -2.742) 2.969 24.463 ( 0.798 -0.811 2.742) 2.969 24.561 ( 0.012 -1.551 -0.579) 1.656 24.561 ( 0.012 -1.551 0.579) 1.656 24.621 ( 0.067 3.010 -0.338) 3.029 24.621 ( 0.067 3.010 0.338) 3.029 24.956 ( -3.734 2.408 -4.817) 6.553 24.956 ( -3.734 2.408 4.817) 6.553 25.333 ( 3.421 -2.361 -3.673) 5.547 25.333 ( 3.421 -2.361 3.673) 5.547 25.522 ( 1.424 -1.207 -4.736) 5.091 25.522 ( 1.424 -1.207 4.736) 5.091 ======================= Grid point 144 (47/60) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 6.522 4.430 -2.114) 8.163 0.820 ( 6.522 4.430 2.114) 8.163 0.902 ( 6.084 7.069 -0.667) 9.351 0.902 ( 6.084 7.069 0.667) 9.351 1.098 ( -3.661 1.906 -3.869) 5.657 1.098 ( -3.661 1.906 3.869) 5.657 1.189 ( -4.444 2.393 -2.936) 5.840 1.189 ( -4.444 2.393 2.936) 5.840 1.445 ( -0.149 1.651 -2.305) 2.839 1.445 ( -0.149 1.651 2.305) 2.839 1.515 ( 3.135 -2.467 -1.399) 4.228 1.515 ( 3.135 -2.467 1.399) 4.228 1.561 ( 3.144 0.635 -1.632) 3.599 1.561 ( 3.144 0.635 1.632) 3.599 1.616 ( 2.627 4.344 -3.246) 6.026 1.616 ( 2.627 4.344 3.246) 6.026 1.662 ( 2.654 -0.843 -1.311) 3.078 1.662 ( 2.654 -0.843 1.311) 3.078 1.716 ( 0.221 -1.170 -1.542) 1.948 1.716 ( 0.221 -1.170 1.542) 1.948 1.826 ( 5.755 0.923 -5.517) 8.026 1.826 ( 5.755 0.923 5.517) 8.026 1.984 ( 0.989 2.087 -1.287) 2.644 1.984 ( 0.989 2.087 1.287) 2.644 2.185 ( -2.331 -0.824 -2.988) 3.878 2.185 ( -2.331 -0.824 2.988) 3.878 2.216 ( -2.131 0.759 -0.982) 2.466 2.216 ( -2.131 0.759 0.982) 2.466 2.363 ( -1.260 0.895 -0.462) 1.613 2.363 ( -1.260 0.895 0.462) 1.613 2.457 ( -2.247 -1.517 -0.874) 2.849 2.457 ( -2.247 -1.517 0.874) 2.849 2.575 ( -0.217 3.412 -1.212) 3.627 2.575 ( -0.217 3.412 1.212) 3.627 2.684 ( 2.042 -0.123 -1.756) 2.697 2.684 ( 2.042 -0.123 1.756) 2.697 2.736 ( 1.446 -0.439 -2.013) 2.517 2.736 ( 1.446 -0.439 2.013) 2.517 2.819 ( -1.578 -2.411 -1.922) 3.463 2.819 ( -1.578 -2.411 1.922) 3.463 2.969 ( 2.102 2.887 -2.955) 4.635 2.969 ( 2.102 2.887 2.955) 4.635 3.058 ( 0.117 3.586 -1.140) 3.765 3.058 ( 0.117 3.586 1.140) 3.765 3.192 ( 2.875 -0.902 -3.648) 4.732 3.192 ( 2.875 -0.902 3.648) 4.732 3.396 ( -6.581 -4.175 -7.947) 11.131 3.396 ( -6.581 -4.175 7.947) 11.131 9.030 ( 1.348 -0.960 -1.273) 2.088 9.030 ( 1.348 -0.960 1.273) 2.088 9.161 ( 1.018 2.373 -0.417) 2.616 9.161 ( 1.018 2.373 0.417) 2.616 9.189 ( 0.101 -0.838 -0.724) 1.112 9.189 ( 0.101 -0.838 0.724) 1.112 9.254 ( -1.532 2.290 -1.154) 2.987 9.254 ( -1.532 2.290 1.154) 2.987 11.173 ( 1.378 -1.989 -1.320) 2.756 11.173 ( 1.378 -1.989 1.320) 2.756 11.274 ( -1.568 0.075 -1.522) 2.187 11.274 ( -1.568 0.075 1.522) 2.187 11.343 ( -3.277 0.881 -1.624) 3.762 11.343 ( -3.277 0.881 1.624) 3.762 11.388 ( -0.976 1.923 -0.237) 2.169 11.388 ( -0.976 1.923 0.237) 2.169 11.791 ( 3.164 2.316 -1.382) 4.157 11.791 ( 3.164 2.316 1.382) 4.157 11.920 ( -0.058 -2.347 -0.828) 2.490 11.920 ( -0.058 -2.347 0.828) 2.490 23.961 ( -0.143 0.012 -0.252) 0.290 23.961 ( -0.143 0.012 0.252) 0.290 23.968 ( -0.011 -0.054 -0.117) 0.129 23.968 ( -0.011 -0.054 0.117) 0.129 24.481 ( 0.849 -1.440 -1.855) 2.497 24.481 ( 0.849 -1.440 1.855) 2.497 24.562 ( 0.056 -1.948 -0.234) 1.963 24.562 ( 0.056 -1.948 0.234) 1.963 24.631 ( 0.950 3.872 -0.487) 4.017 24.631 ( 0.950 3.872 0.487) 4.017 24.872 ( -4.063 4.183 -5.168) 7.792 24.872 ( -4.063 4.183 5.168) 7.792 25.397 ( 2.524 -2.688 -3.612) 5.162 25.397 ( 2.524 -2.688 3.612) 5.162 25.555 ( 1.587 -2.293 -5.775) 6.413 25.555 ( 1.587 -2.293 5.775) 6.413 ======================= Grid point 146 (48/60) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 3.673 -0.000) 3.673 0.925 ( 0.000 3.673 0.000) 3.673 0.966 ( 0.000 5.643 -0.000) 5.643 0.966 ( 0.000 5.643 0.000) 5.643 1.039 ( 0.000 3.532 0.000) 3.532 1.039 ( 0.000 3.532 0.000) 3.532 1.122 ( 0.000 3.467 -0.000) 3.467 1.122 ( 0.000 3.467 0.000) 3.467 1.436 ( 0.000 1.424 -0.000) 1.424 1.436 ( 0.000 1.424 0.000) 1.424 1.541 ( 0.000 -3.318 -0.000) 3.318 1.541 ( 0.000 -3.318 0.000) 3.318 1.612 ( 0.000 3.505 -0.000) 3.505 1.612 ( 0.000 3.505 -0.000) 3.505 1.640 ( 0.000 1.252 0.000) 1.252 1.640 ( 0.000 1.252 0.000) 1.252 1.704 ( -0.000 -3.379 -0.000) 3.379 1.704 ( 0.000 -3.379 0.000) 3.379 1.704 ( 0.000 0.754 -0.000) 0.754 1.704 ( -0.000 0.754 0.000) 0.754 1.952 ( -0.000 -0.369 0.000) 0.369 1.952 ( 0.000 -0.369 -0.000) 0.369 1.977 ( -0.000 1.285 0.000) 1.285 1.977 ( 0.000 1.285 0.000) 1.285 2.119 ( 0.000 4.977 0.000) 4.977 2.119 ( 0.000 4.977 0.000) 4.977 2.194 ( 0.000 -1.500 -0.000) 1.500 2.194 ( 0.000 -1.500 0.000) 1.500 2.354 ( 0.000 2.867 0.000) 2.867 2.354 ( 0.000 2.867 0.000) 2.867 2.434 ( 0.000 -2.491 -0.000) 2.491 2.434 ( 0.000 -2.491 0.000) 2.491 2.574 ( 0.000 3.228 0.000) 3.228 2.574 ( 0.000 3.228 0.000) 3.228 2.701 ( 0.000 1.456 0.000) 1.456 2.701 ( 0.000 1.456 0.000) 1.456 2.776 ( 0.000 -2.163 0.000) 2.163 2.776 ( 0.000 -2.163 0.000) 2.163 2.785 ( -0.000 -3.978 -0.000) 3.978 2.785 ( 0.000 -3.978 0.000) 3.978 3.002 ( -0.000 4.176 0.000) 4.176 3.002 ( 0.000 4.176 0.000) 4.176 3.056 ( 0.000 3.530 -0.000) 3.530 3.056 ( 0.000 3.530 0.000) 3.530 3.253 ( 0.000 -3.496 0.000) 3.496 3.253 ( 0.000 -3.496 0.000) 3.496 3.286 ( 0.000 -2.078 -0.000) 2.078 3.286 ( 0.000 -2.078 0.000) 2.078 9.046 ( 0.000 -0.762 0.000) 0.762 9.046 ( 0.000 -0.762 0.000) 0.762 9.167 ( 0.000 -0.346 0.000) 0.346 9.167 ( 0.000 -0.346 0.000) 0.346 9.198 ( 0.000 3.165 -0.000) 3.165 9.198 ( 0.000 3.165 0.000) 3.165 9.231 ( 0.000 0.899 0.000) 0.899 9.231 ( 0.000 0.899 0.000) 0.899 11.198 ( 0.000 -2.229 -0.000) 2.229 11.198 ( 0.000 -2.229 0.000) 2.229 11.253 ( 0.000 -0.037 -0.000) 0.037 11.253 ( 0.000 -0.037 0.000) 0.037 11.305 ( 0.000 0.959 -0.000) 0.959 11.305 ( 0.000 0.959 0.000) 0.959 11.378 ( 0.000 1.809 0.000) 1.809 11.378 ( 0.000 1.809 0.000) 1.809 11.826 ( 0.000 2.678 -0.000) 2.678 11.826 ( 0.000 2.678 0.000) 2.678 11.917 ( 0.000 -2.421 -0.000) 2.421 11.917 ( 0.000 -2.421 0.000) 2.421 23.959 ( 0.000 -0.000 -0.000) 0.000 23.959 ( 0.000 -0.000 0.000) 0.000 23.968 ( 0.000 -0.057 -0.000) 0.057 23.968 ( 0.000 -0.057 0.000) 0.057 24.490 ( 0.000 -1.943 0.000) 1.943 24.490 ( 0.000 -1.943 0.000) 1.943 24.562 ( 0.000 -2.145 0.000) 2.145 24.562 ( 0.000 -2.145 0.000) 2.145 24.647 ( 0.000 4.774 -0.000) 4.774 24.647 ( 0.000 4.774 0.000) 4.774 24.824 ( 0.000 4.375 -0.000) 4.375 24.824 ( 0.000 4.375 0.000) 4.375 25.423 ( 0.000 -2.918 0.000) 2.918 25.423 ( 0.000 -2.918 0.000) 2.918 25.573 ( 0.000 -2.344 0.000) 2.344 25.573 ( 0.000 -2.344 0.000) 2.344 ======================= Grid point 154 (49/60) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.000 8.757 -4.809) 9.990 0.812 ( 0.000 8.757 4.809) 9.990 0.836 ( 0.000 7.559 -8.531) 11.397 0.836 ( 0.000 7.559 8.531) 11.397 1.130 ( 0.000 0.075 -2.216) 2.218 1.130 ( 0.000 0.075 2.216) 2.218 1.251 ( 0.000 0.823 -2.545) 2.675 1.251 ( 0.000 0.823 2.545) 2.675 1.431 ( 0.000 -0.346 -2.605) 2.628 1.431 ( 0.000 -0.346 2.605) 2.628 1.492 ( 0.000 -2.240 -2.242) 3.169 1.492 ( 0.000 -2.240 2.242) 3.169 1.521 ( 0.000 0.483 -4.936) 4.960 1.521 ( 0.000 0.483 4.936) 4.960 1.567 ( 0.000 -1.714 -0.453) 1.773 1.567 ( 0.000 -1.714 0.453) 1.773 1.610 ( 0.000 1.311 -3.649) 3.878 1.610 ( 0.000 1.311 3.649) 3.878 1.686 ( 0.000 1.659 -4.153) 4.472 1.686 ( 0.000 1.659 4.153) 4.472 1.722 ( 0.000 2.408 -0.950) 2.588 1.722 ( 0.000 2.408 0.950) 2.588 2.056 ( 0.000 4.383 -2.609) 5.101 2.056 ( 0.000 4.383 2.609) 5.101 2.141 ( 0.000 -2.872 -1.630) 3.303 2.141 ( 0.000 -2.872 1.630) 3.303 2.258 ( 0.000 0.717 -1.614) 1.767 2.258 ( 0.000 0.717 1.614) 1.767 2.424 ( 0.000 1.977 -2.255) 2.999 2.424 ( 0.000 1.977 2.255) 2.999 2.560 ( 0.000 -4.190 -3.964) 5.768 2.560 ( 0.000 -4.190 3.964) 5.768 2.604 ( 0.000 2.943 -1.351) 3.238 2.604 ( 0.000 2.943 1.351) 3.238 2.617 ( 0.000 -1.784 -1.337) 2.229 2.617 ( 0.000 -1.784 1.337) 2.229 2.700 ( 0.000 1.422 -5.572) 5.751 2.700 ( 0.000 1.422 5.572) 5.751 2.847 ( 0.000 1.900 -0.775) 2.052 2.847 ( 0.000 1.900 0.775) 2.052 3.026 ( 0.000 4.316 -0.901) 4.409 3.026 ( 0.000 4.316 0.901) 4.409 3.089 ( 0.000 1.667 -1.932) 2.552 3.089 ( 0.000 1.667 1.932) 2.552 3.126 ( 0.000 0.718 -2.774) 2.866 3.126 ( 0.000 0.718 2.774) 2.866 3.423 ( 0.000 -6.170 -8.860) 10.796 3.423 ( 0.000 -6.170 8.860) 10.796 8.972 ( 0.000 -0.473 -1.296) 1.379 8.972 ( 0.000 -0.473 1.296) 1.379 9.108 ( 0.000 -2.521 -1.235) 2.807 9.108 ( 0.000 -2.521 1.235) 2.807 9.228 ( 0.000 4.612 -0.867) 4.693 9.228 ( 0.000 4.612 0.867) 4.693 9.356 ( 0.000 2.846 -1.322) 3.138 9.356 ( 0.000 2.846 1.322) 3.138 11.099 ( 0.000 -0.655 -1.051) 1.239 11.099 ( 0.000 -0.655 1.051) 1.239 11.404 ( 0.000 1.056 -0.840) 1.349 11.404 ( 0.000 1.056 0.840) 1.349 11.422 ( 0.000 -0.733 -1.782) 1.927 11.422 ( 0.000 -0.733 1.782) 1.927 11.546 ( 0.000 3.897 -0.191) 3.902 11.546 ( 0.000 3.897 0.191) 3.902 11.655 ( 0.000 0.645 -1.664) 1.785 11.655 ( 0.000 0.645 1.664) 1.785 11.846 ( 0.000 -3.297 -1.518) 3.630 11.846 ( 0.000 -3.297 1.518) 3.630 23.964 ( 0.000 -0.084 -0.098) 0.129 23.964 ( 0.000 -0.084 0.098) 0.129 23.970 ( 0.000 0.119 -0.009) 0.119 23.970 ( 0.000 0.119 0.009) 0.119 24.437 ( 0.000 -0.971 -2.158) 2.366 24.437 ( 0.000 -0.971 2.158) 2.366 24.523 ( 0.000 -2.275 -1.493) 2.721 24.523 ( 0.000 -2.275 1.493) 2.721 24.689 ( 0.000 3.508 -0.198) 3.514 24.689 ( 0.000 3.508 0.198) 3.514 25.007 ( 0.000 0.293 -1.740) 1.764 25.007 ( 0.000 0.293 1.740) 1.764 25.236 ( 0.000 -3.305 -2.985) 4.453 25.236 ( 0.000 -3.305 2.985) 4.453 25.519 ( 0.000 1.193 -3.155) 3.373 25.519 ( 0.000 1.193 3.155) 3.373 ======================= Grid point 156 (50/60) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 3.662 8.272 -3.889) 9.847 0.851 ( 3.662 8.272 3.889) 9.847 0.909 ( 6.056 6.737 -3.268) 9.630 0.909 ( 6.056 6.737 3.268) 9.630 1.149 ( 1.562 1.406 -0.853) 2.268 1.149 ( 1.562 1.406 0.853) 2.268 1.271 ( 0.909 1.067 -1.933) 2.388 1.271 ( 0.909 1.067 1.933) 2.388 1.440 ( 0.468 -0.060 -3.502) 3.533 1.440 ( 0.468 -0.060 3.502) 3.533 1.489 ( -1.540 0.615 -0.827) 1.853 1.489 ( -1.540 0.615 0.827) 1.853 1.518 ( 2.269 -1.305 -1.512) 3.023 1.518 ( 2.269 -1.305 1.512) 3.023 1.583 ( 1.130 -1.753 -0.974) 2.302 1.583 ( 1.130 -1.753 0.974) 2.302 1.636 ( 1.894 -1.387 -2.014) 3.093 1.636 ( 1.894 -1.387 2.014) 3.093 1.699 ( 1.191 4.230 -2.381) 4.998 1.699 ( 1.191 4.230 2.381) 4.998 1.753 ( 3.704 1.279 -4.316) 5.830 1.753 ( 3.704 1.279 4.316) 5.830 2.052 ( -0.550 5.064 -2.510) 5.678 2.052 ( -0.550 5.064 2.510) 5.678 2.141 ( 0.356 -3.523 -0.763) 3.623 2.141 ( 0.356 -3.523 0.763) 3.623 2.266 ( -0.151 0.853 -1.115) 1.412 2.266 ( -0.151 0.853 1.115) 1.412 2.385 ( -2.098 0.352 -1.227) 2.456 2.385 ( -2.098 0.352 1.227) 2.456 2.519 ( -3.120 0.224 -3.041) 4.363 2.519 ( -3.120 0.224 3.041) 4.363 2.614 ( 1.354 0.119 -1.526) 2.044 2.614 ( 1.354 0.119 1.526) 2.044 2.646 ( 1.460 1.570 -1.040) 2.382 2.646 ( 1.460 1.570 1.040) 2.382 2.721 ( 1.109 -1.997 -3.738) 4.381 2.721 ( 1.109 -1.997 3.738) 4.381 2.824 ( -1.956 1.776 -0.465) 2.682 2.824 ( -1.956 1.776 0.465) 2.682 3.016 ( -0.362 3.976 -1.732) 4.352 3.016 ( -0.362 3.976 1.732) 4.352 3.103 ( 1.121 1.979 -1.705) 2.843 3.103 ( 1.121 1.979 1.705) 2.843 3.148 ( 1.666 0.473 -2.471) 3.017 3.148 ( 1.666 0.473 2.471) 3.017 3.392 ( -3.103 -5.750 -8.415) 10.654 3.392 ( -3.103 -5.750 8.415) 10.654 8.984 ( 1.183 -0.616 -1.208) 1.799 8.984 ( 1.183 -0.616 1.208) 1.799 9.118 ( 0.737 -2.756 -1.206) 3.098 9.118 ( 0.737 -2.756 1.206) 3.098 9.234 ( 0.557 4.644 -0.782) 4.742 9.234 ( 0.557 4.644 0.782) 4.742 9.345 ( -1.086 3.041 -1.060) 3.398 9.345 ( -1.086 3.041 1.060) 3.398 11.113 ( 1.340 -0.565 -0.999) 1.765 11.113 ( 1.340 -0.565 0.999) 1.765 11.359 ( -4.215 1.210 -1.625) 4.677 11.359 ( -4.215 1.210 1.625) 4.677 11.398 ( -2.019 -0.897 -2.087) 3.039 11.398 ( -2.019 -0.897 2.087) 3.039 11.480 ( -3.318 3.180 -0.303) 4.606 11.480 ( -3.318 3.180 0.303) 4.606 11.740 ( 5.168 0.942 -0.820) 5.317 11.740 ( 5.168 0.942 0.820) 5.317 11.858 ( 1.071 -2.732 -0.602) 2.996 11.858 ( 1.071 -2.732 0.602) 2.996 23.963 ( -0.083 -0.066 -0.132) 0.169 23.963 ( -0.083 -0.066 0.132) 0.169 23.969 ( -0.102 0.090 -0.153) 0.205 23.969 ( -0.102 0.090 0.153) 0.205 24.445 ( 0.714 -0.927 -2.061) 2.370 24.445 ( 0.714 -0.927 2.061) 2.370 24.520 ( -0.165 -2.271 -1.140) 2.547 24.520 ( -0.165 -2.271 1.140) 2.547 24.688 ( 0.221 3.418 -0.544) 3.468 24.688 ( 0.221 3.418 0.544) 3.468 25.007 ( -0.709 2.554 -3.279) 4.217 25.007 ( -0.709 2.554 3.279) 4.217 25.267 ( 2.836 -4.168 -3.258) 6.003 25.267 ( 2.836 -4.168 3.258) 6.003 25.509 ( -0.603 0.070 -4.603) 4.643 25.509 ( -0.603 0.070 4.603) 4.643 ======================= Grid point 158 (51/60) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 5.471 7.771 -1.647) 9.645 0.945 ( 5.471 7.771 1.647) 9.645 1.031 ( 5.315 5.443 -0.838) 7.653 1.031 ( 5.315 5.443 0.838) 7.653 1.157 ( -1.555 3.951 -2.148) 4.758 1.157 ( -1.555 3.951 2.148) 4.758 1.251 ( -2.515 3.555 -1.739) 4.689 1.251 ( -2.515 3.555 1.739) 4.689 1.437 ( 0.474 -2.881 -1.946) 3.509 1.437 ( 0.474 -2.881 1.946) 3.509 1.497 ( -0.301 1.349 -1.765) 2.242 1.497 ( -0.301 1.349 1.765) 2.242 1.571 ( 3.943 -0.115 -1.721) 4.304 1.571 ( 3.943 -0.115 1.721) 4.304 1.614 ( 1.624 -2.825 -0.803) 3.356 1.614 ( 1.624 -2.825 0.803) 3.356 1.663 ( 0.797 -1.545 -1.696) 2.428 1.663 ( 0.797 -1.545 1.696) 2.428 1.726 ( 1.247 1.908 -0.982) 2.482 1.726 ( 1.247 1.908 0.982) 2.482 1.868 ( 6.795 3.448 -6.480) 10.003 1.868 ( 6.795 3.448 6.480) 10.003 2.036 ( -1.167 3.037 -2.040) 3.840 2.036 ( -1.167 3.037 2.040) 3.840 2.156 ( 1.218 -1.252 -2.016) 2.668 2.156 ( 1.218 -1.252 2.016) 2.668 2.246 ( -1.460 1.748 -1.013) 2.493 2.246 ( -1.460 1.748 1.013) 2.493 2.370 ( 0.351 -0.069 -0.783) 0.861 2.370 ( 0.351 -0.069 0.783) 0.861 2.459 ( -2.816 1.555 -2.133) 3.860 2.459 ( -2.816 1.555 2.133) 3.860 2.634 ( 0.559 0.782 -0.775) 1.235 2.634 ( 0.559 0.782 0.775) 1.235 2.674 ( 1.175 1.224 -1.131) 2.039 2.674 ( 1.175 1.224 1.131) 2.039 2.721 ( -1.105 -4.273 -2.779) 5.215 2.721 ( -1.105 -4.273 2.779) 5.215 2.788 ( -1.211 2.074 -0.612) 2.478 2.788 ( -1.211 2.074 0.612) 2.478 3.033 ( 2.343 3.120 -2.927) 4.877 3.033 ( 2.343 3.120 2.927) 4.877 3.123 ( 0.711 2.500 -1.345) 2.926 3.123 ( 0.711 2.500 1.345) 2.926 3.176 ( 0.865 -0.516 -2.503) 2.698 3.176 ( 0.865 -0.516 2.503) 2.698 3.305 ( -5.169 -4.600 -6.504) 9.496 3.305 ( -5.169 -4.600 6.504) 9.496 9.013 ( 1.473 -0.747 -0.951) 1.906 9.013 ( 1.473 -0.747 0.951) 1.906 9.127 ( -0.026 -3.109 -1.077) 3.291 9.127 ( -0.026 -3.109 1.077) 3.291 9.251 ( 1.177 4.606 -0.639) 4.797 9.251 ( 1.177 4.606 0.639) 4.797 9.317 ( -1.572 3.536 -0.731) 3.938 9.317 ( -1.572 3.536 0.731) 3.938 11.146 ( 1.732 -0.456 -0.763) 1.947 11.146 ( 1.732 -0.456 0.763) 1.947 11.280 ( -2.974 0.284 -1.864) 3.521 11.280 ( -2.974 0.284 1.864) 3.521 11.351 ( -2.327 0.311 -0.817) 2.486 11.351 ( -2.327 0.311 0.817) 2.486 11.432 ( -1.629 2.010 -0.207) 2.596 11.432 ( -1.629 2.010 0.207) 2.596 11.825 ( 3.237 0.363 -0.927) 3.386 11.825 ( 3.237 0.363 0.927) 3.386 11.877 ( 0.505 -1.279 -1.670) 2.164 11.877 ( 0.505 -1.279 1.670) 2.164 23.961 ( -0.121 0.018 -0.126) 0.175 23.961 ( -0.121 0.018 0.126) 0.175 23.967 ( -0.063 -0.020 -0.171) 0.183 23.967 ( -0.063 -0.020 0.171) 0.183 24.459 ( 0.561 -0.830 -1.301) 1.642 24.459 ( 0.561 -0.830 1.301) 1.642 24.518 ( -0.081 -2.243 -0.429) 2.285 24.518 ( -0.081 -2.243 0.429) 2.285 24.710 ( 1.907 3.849 -1.117) 4.439 24.710 ( 1.907 3.849 1.117) 4.439 24.963 ( -3.380 4.415 -4.165) 6.947 24.963 ( -3.380 4.415 4.165) 6.947 25.329 ( 2.777 -3.826 -3.512) 5.889 25.329 ( 2.777 -3.826 3.512) 5.889 25.508 ( 0.448 -2.211 -4.973) 5.461 25.508 ( 0.448 -2.211 4.973) 5.461 ======================= Grid point 160 (52/60) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 7.257 -0.000) 7.257 1.037 ( 0.000 7.257 -0.000) 7.257 1.080 ( -0.000 5.589 -0.000) 5.589 1.080 ( 0.000 5.589 0.000) 5.589 1.114 ( -0.000 4.206 0.000) 4.206 1.114 ( 0.000 4.206 0.000) 4.206 1.216 ( 0.000 5.547 -0.000) 5.547 1.216 ( 0.000 5.547 0.000) 5.547 1.460 ( 0.000 -4.608 0.000) 4.608 1.460 ( 0.000 -4.608 0.000) 4.608 1.472 ( 0.000 1.856 -0.000) 1.856 1.472 ( 0.000 1.856 0.000) 1.856 1.613 ( -0.000 -4.994 -0.000) 4.994 1.613 ( -0.000 -4.994 0.000) 4.994 1.650 ( 0.000 -0.404 -0.000) 0.404 1.650 ( 0.000 -0.404 0.000) 0.404 1.666 ( -0.000 0.621 -0.000) 0.621 1.666 ( -0.000 0.621 0.000) 0.621 1.738 ( 0.000 2.489 -0.000) 2.489 1.738 ( 0.000 2.489 0.000) 2.489 1.979 ( -0.000 -1.576 -0.000) 1.576 1.979 ( 0.000 -1.576 0.000) 1.576 1.993 ( 0.000 4.769 -0.000) 4.769 1.993 ( -0.000 4.769 0.000) 4.769 2.195 ( -0.000 1.996 -0.000) 1.996 2.195 ( -0.000 1.996 0.000) 1.996 2.202 ( 0.000 2.727 -0.000) 2.727 2.202 ( 0.000 2.727 0.000) 2.727 2.394 ( 0.000 1.084 -0.000) 1.084 2.394 ( 0.000 1.084 0.000) 1.084 2.412 ( -0.000 0.631 -0.000) 0.631 2.412 ( 0.000 0.631 0.000) 0.631 2.640 ( 0.000 0.953 0.000) 0.953 2.640 ( 0.000 0.953 0.000) 0.953 2.691 ( 0.000 -2.412 -0.000) 2.412 2.691 ( 0.000 -2.412 0.000) 2.412 2.697 ( -0.000 -2.048 -0.000) 2.048 2.697 ( 0.000 -2.048 0.000) 2.048 2.778 ( 0.000 2.038 -0.000) 2.038 2.778 ( 0.000 2.038 0.000) 2.038 3.084 ( -0.000 3.589 0.000) 3.589 3.084 ( 0.000 3.589 0.000) 3.589 3.124 ( 0.000 2.783 -0.000) 2.783 3.124 ( 0.000 2.783 0.000) 2.783 3.178 ( 0.000 -3.370 0.000) 3.370 3.178 ( 0.000 -3.370 0.000) 3.370 3.236 ( 0.000 -2.697 -0.000) 2.697 3.236 ( 0.000 -2.697 0.000) 2.697 9.031 ( 0.000 -0.699 0.000) 0.699 9.031 ( 0.000 -0.699 0.000) 0.699 9.123 ( 0.000 -3.172 0.000) 3.172 9.123 ( 0.000 -3.172 0.000) 3.172 9.275 ( -0.000 4.250 -0.000) 4.250 9.275 ( -0.000 4.250 0.000) 4.250 9.290 ( 0.000 3.998 -0.000) 3.998 9.290 ( 0.000 3.998 0.000) 3.998 11.168 ( 0.000 -0.528 0.000) 0.528 11.168 ( 0.000 -0.528 0.000) 0.528 11.249 ( 0.000 -0.428 -0.000) 0.428 11.249 ( 0.000 -0.428 0.000) 0.428 11.324 ( 0.000 1.040 -0.000) 1.040 11.324 ( 0.000 1.040 0.000) 1.040 11.415 ( 0.000 1.578 0.000) 1.578 11.415 ( 0.000 1.578 0.000) 1.578 11.865 ( 0.000 -2.323 -0.000) 2.323 11.865 ( 0.000 -2.323 0.000) 2.323 11.874 ( -0.000 1.812 -0.000) 1.812 11.874 ( -0.000 1.812 0.000) 1.812 23.960 ( 0.000 0.061 -0.000) 0.061 23.960 ( 0.000 0.061 0.000) 0.061 23.966 ( 0.000 -0.078 0.000) 0.078 23.966 ( 0.000 -0.078 0.000) 0.078 24.465 ( 0.000 -0.726 0.000) 0.726 24.465 ( 0.000 -0.726 0.000) 0.726 24.517 ( 0.000 -2.284 0.000) 2.284 24.517 ( 0.000 -2.284 0.000) 2.284 24.740 ( 0.000 4.618 0.000) 4.618 24.740 ( 0.000 4.618 0.000) 4.618 24.915 ( 0.000 4.095 -0.000) 4.095 24.915 ( 0.000 4.095 0.000) 4.095 25.359 ( 0.000 -2.967 0.000) 2.967 25.359 ( 0.000 -2.967 0.000) 2.967 25.515 ( 0.000 -3.340 -0.000) 3.340 25.515 ( 0.000 -3.340 0.000) 3.340 ======================= Grid point 168 (53/60) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 0.320 -3.866) 3.879 0.903 ( 0.000 0.320 3.866) 3.879 1.019 ( 0.000 10.235 -0.532) 10.248 1.019 ( 0.000 10.235 0.532) 10.248 1.152 ( 0.000 3.234 -0.223) 3.242 1.152 ( 0.000 3.234 0.223) 3.242 1.279 ( 0.000 1.391 -0.057) 1.392 1.279 ( 0.000 1.391 0.057) 1.392 1.377 ( 0.000 -4.787 -2.474) 5.389 1.377 ( 0.000 -4.787 2.474) 5.389 1.458 ( 0.000 -0.980 -1.547) 1.832 1.458 ( 0.000 -0.980 1.547) 1.832 1.492 ( 0.000 -4.626 -0.032) 4.626 1.492 ( 0.000 -4.626 0.032) 4.626 1.545 ( 0.000 1.053 -6.005) 6.096 1.545 ( 0.000 1.053 6.005) 6.096 1.589 ( 0.000 -0.390 -1.346) 1.401 1.589 ( 0.000 -0.390 1.346) 1.401 1.744 ( 0.000 1.033 -2.086) 2.328 1.744 ( 0.000 1.033 2.086) 2.328 1.782 ( 0.000 3.660 -1.006) 3.796 1.782 ( 0.000 3.660 1.006) 3.796 2.040 ( 0.000 -5.782 -1.432) 5.957 2.040 ( 0.000 -5.782 1.432) 5.957 2.146 ( 0.000 2.534 -1.208) 2.807 2.146 ( 0.000 2.534 1.208) 2.807 2.317 ( 0.000 4.828 -2.293) 5.344 2.317 ( 0.000 4.828 2.293) 5.344 2.422 ( 0.000 -1.770 -2.391) 2.975 2.422 ( 0.000 -1.770 2.391) 2.975 2.516 ( 0.000 -0.084 -0.305) 0.317 2.516 ( 0.000 -0.084 0.305) 0.317 2.595 ( 0.000 -0.082 -2.062) 2.064 2.595 ( 0.000 -0.082 2.062) 2.064 2.659 ( 0.000 2.028 -0.909) 2.222 2.659 ( 0.000 2.028 0.909) 2.222 2.711 ( 0.000 -0.304 -3.511) 3.524 2.711 ( 0.000 -0.304 3.511) 3.524 2.887 ( 0.000 1.814 -0.019) 1.814 2.887 ( 0.000 1.814 0.019) 1.814 3.091 ( 0.000 1.583 -0.472) 1.651 3.091 ( 0.000 1.583 0.472) 1.651 3.122 ( 0.000 2.606 -0.927) 2.766 3.122 ( 0.000 2.606 0.927) 2.766 3.140 ( 0.000 0.559 -1.777) 1.863 3.140 ( 0.000 0.559 1.777) 1.863 3.313 ( 0.000 -4.936 -5.813) 7.626 3.313 ( 0.000 -4.936 5.813) 7.626 8.969 ( 0.000 0.169 -0.776) 0.794 8.969 ( 0.000 0.169 0.776) 0.794 9.063 ( 0.000 -1.908 -0.857) 2.092 9.063 ( 0.000 -1.908 0.857) 2.092 9.316 ( 0.000 3.966 -0.995) 4.089 9.316 ( 0.000 3.966 0.995) 4.089 9.395 ( 0.000 0.979 -1.214) 1.559 9.395 ( 0.000 0.979 1.214) 1.559 11.107 ( 0.000 0.999 -0.198) 1.019 11.107 ( 0.000 0.999 0.198) 1.019 11.371 ( 0.000 -2.346 -2.184) 3.205 11.371 ( 0.000 -2.346 2.184) 3.205 11.461 ( 0.000 3.092 -0.580) 3.146 11.461 ( 0.000 3.092 0.580) 3.146 11.596 ( 0.000 -0.191 -0.560) 0.591 11.596 ( 0.000 -0.191 0.560) 0.591 11.666 ( 0.000 1.934 -0.659) 2.043 11.666 ( 0.000 1.934 0.659) 2.043 11.786 ( 0.000 -2.847 -0.221) 2.856 11.786 ( 0.000 -2.847 0.221) 2.856 23.963 ( 0.000 -0.038 -0.020) 0.043 23.963 ( 0.000 -0.038 0.020) 0.043 23.972 ( 0.000 0.066 -0.059) 0.088 23.972 ( 0.000 0.066 0.059) 0.088 24.420 ( 0.000 -0.753 -1.181) 1.401 24.420 ( 0.000 -0.753 1.181) 1.401 24.482 ( 0.000 -1.593 -1.096) 1.933 24.482 ( 0.000 -1.593 1.096) 1.933 24.749 ( 0.000 2.330 -0.034) 2.330 24.749 ( 0.000 2.330 0.034) 2.330 25.013 ( 0.000 0.322 -1.224) 1.266 25.013 ( 0.000 0.322 1.224) 1.266 25.173 ( 0.000 -2.826 -1.875) 3.392 25.173 ( 0.000 -2.826 1.875) 3.392 25.545 ( 0.000 1.171 -2.284) 2.566 25.545 ( 0.000 1.171 2.284) 2.566 ======================= Grid point 170 (54/60) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 5.054 1.158 -5.012) 7.212 0.952 ( 5.054 1.158 5.012) 7.212 1.064 ( 3.230 9.484 -4.154) 10.846 1.064 ( 3.230 9.484 4.154) 10.846 1.195 ( 3.571 3.524 -0.763) 5.074 1.195 ( 3.571 3.524 0.763) 5.074 1.289 ( 0.665 0.943 -0.197) 1.171 1.289 ( 0.665 0.943 0.197) 1.171 1.401 ( 1.718 -4.056 -3.068) 5.368 1.401 ( 1.718 -4.056 3.068) 5.368 1.475 ( 0.444 -3.165 -1.636) 3.590 1.475 ( 0.444 -3.165 1.636) 3.590 1.509 ( 2.691 -1.725 -0.737) 3.280 1.509 ( 2.691 -1.725 0.737) 3.280 1.544 ( 0.687 1.533 -5.197) 5.462 1.544 ( 0.687 1.533 5.197) 5.462 1.598 ( 0.903 -0.964 -1.054) 1.690 1.598 ( 0.903 -0.964 1.054) 1.690 1.743 ( -1.494 0.839 -1.956) 2.600 1.743 ( -1.494 0.839 1.956) 2.600 1.816 ( 4.706 3.202 -3.443) 6.653 1.816 ( 4.706 3.202 3.443) 6.653 2.046 ( 0.528 -6.212 -0.773) 6.282 2.046 ( 0.528 -6.212 0.773) 6.282 2.154 ( 0.870 4.574 -2.424) 5.249 2.154 ( 0.870 4.574 2.424) 5.249 2.308 ( -1.047 3.318 -1.302) 3.715 2.308 ( -1.047 3.318 1.302) 3.715 2.385 ( -2.037 -0.164 -2.522) 3.246 2.385 ( -2.037 -0.164 2.522) 3.246 2.524 ( -0.568 -0.128 -1.145) 1.284 2.524 ( -0.568 -0.128 1.145) 1.284 2.597 ( 0.487 -1.472 -2.214) 2.703 2.597 ( 0.487 -1.472 2.214) 2.703 2.658 ( -0.644 0.270 -0.980) 1.204 2.658 ( -0.644 0.270 0.980) 1.204 2.713 ( 0.561 0.903 -2.901) 3.089 2.713 ( 0.561 0.903 2.901) 3.089 2.872 ( -1.401 2.215 -0.162) 2.626 2.872 ( -1.401 2.215 0.162) 2.626 3.083 ( -0.534 2.480 -2.078) 3.280 3.083 ( -0.534 2.480 2.078) 3.280 3.131 ( 0.912 1.437 -1.035) 1.992 3.131 ( 0.912 1.437 1.035) 1.992 3.156 ( 1.126 0.319 -1.836) 2.178 3.156 ( 1.126 0.319 1.836) 2.178 3.291 ( -2.186 -4.471 -5.476) 7.400 3.291 ( -2.186 -4.471 5.476) 7.400 8.979 ( 0.913 -0.003 -0.710) 1.157 8.979 ( 0.913 -0.003 0.710) 1.157 9.069 ( 0.457 -1.991 -0.838) 2.208 9.069 ( 0.457 -1.991 0.838) 2.208 9.322 ( 0.518 3.937 -0.893) 4.070 9.322 ( 0.518 3.937 0.893) 4.070 9.388 ( -0.613 1.211 -0.934) 1.647 9.388 ( -0.613 1.211 0.934) 1.647 11.120 ( 1.270 0.900 -0.242) 1.575 11.120 ( 1.270 0.900 0.242) 1.575 11.345 ( -2.801 -1.844 -2.049) 3.930 11.345 ( -2.801 -1.844 2.049) 3.930 11.419 ( -3.037 2.527 -0.763) 4.024 11.419 ( -3.037 2.527 0.763) 4.024 11.519 ( -4.299 0.472 -0.464) 4.349 11.519 ( -4.299 0.472 0.464) 4.349 11.749 ( 4.657 0.582 -0.926) 4.784 11.749 ( 4.657 0.582 0.926) 4.784 11.815 ( 2.477 -1.863 -0.772) 3.194 11.815 ( 2.477 -1.863 0.772) 3.194 23.962 ( -0.053 -0.036 -0.028) 0.070 23.962 ( -0.053 -0.036 0.028) 0.070 23.970 ( -0.149 0.057 -0.117) 0.198 23.970 ( -0.149 0.057 0.117) 0.198 24.428 ( 0.761 -0.798 -1.206) 1.635 24.428 ( 0.761 -0.798 1.206) 1.635 24.483 ( 0.040 -1.394 -0.846) 1.631 24.483 ( 0.040 -1.394 0.846) 1.631 24.745 ( 0.201 2.182 -0.499) 2.247 24.745 ( 0.201 2.182 0.499) 2.247 25.054 ( 2.064 2.356 -2.878) 4.253 25.054 ( 2.064 2.356 2.878) 4.253 25.182 ( 1.806 -4.191 -3.119) 5.527 25.182 ( 1.806 -4.191 3.119) 5.527 25.519 ( -2.169 0.684 -2.876) 3.667 25.519 ( -2.169 0.684 2.876) 3.667 ======================= Grid point 172 (55/60) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 5.985 3.534 -4.103) 8.071 1.075 ( 5.985 3.534 4.103) 8.071 1.138 ( 4.231 6.794 -3.565) 8.762 1.138 ( 4.231 6.794 3.565) 8.762 1.243 ( 0.426 4.867 -1.489) 5.108 1.243 ( 0.426 4.867 1.489) 5.108 1.289 ( -0.472 0.093 -0.493) 0.689 1.289 ( -0.472 0.093 0.493) 0.689 1.410 ( -0.514 -0.522 -1.534) 1.700 1.410 ( -0.514 -0.522 1.534) 1.700 1.484 ( -0.183 -4.498 -1.188) 4.655 1.484 ( -0.183 -4.498 1.188) 4.655 1.534 ( 0.390 -0.632 -0.402) 0.845 1.534 ( 0.390 -0.632 0.402) 0.845 1.603 ( 1.685 1.447 -1.725) 2.812 1.603 ( 1.685 1.447 1.725) 2.812 1.623 ( 2.477 -1.802 -1.823) 3.564 1.623 ( 2.477 -1.802 1.823) 3.564 1.744 ( 2.424 -0.221 -1.037) 2.646 1.744 ( 2.424 -0.221 1.037) 2.646 1.911 ( 3.450 0.882 -2.380) 4.284 1.911 ( 3.450 0.882 2.380) 4.284 2.066 ( 1.665 -2.072 -3.072) 4.062 2.066 ( 1.665 -2.072 3.072) 4.062 2.181 ( 1.816 5.265 -2.945) 6.300 2.181 ( 1.816 5.265 2.945) 6.300 2.288 ( -0.727 2.154 -0.752) 2.395 2.288 ( -0.727 2.154 0.752) 2.395 2.367 ( 0.410 -0.322 -1.288) 1.390 2.367 ( 0.410 -0.322 1.288) 1.390 2.494 ( -2.306 1.559 -1.767) 3.297 2.494 ( -2.306 1.559 1.767) 3.297 2.593 ( -1.110 -4.464 -0.510) 4.628 2.593 ( -1.110 -4.464 0.510) 4.628 2.636 ( -0.964 -1.397 -1.245) 2.105 2.636 ( -0.964 -1.397 1.245) 2.105 2.737 ( 1.549 2.646 -1.758) 3.534 2.737 ( 1.549 2.646 1.758) 3.534 2.838 ( -1.775 2.280 -0.316) 2.907 2.838 ( -1.775 2.280 0.316) 2.907 3.083 ( 0.883 1.876 -2.387) 3.162 3.083 ( 0.883 1.876 2.387) 3.162 3.148 ( 0.521 0.409 -1.320) 1.477 3.148 ( 0.521 0.409 1.320) 1.477 3.173 ( 0.420 0.141 -0.767) 0.885 3.173 ( 0.420 0.141 0.767) 0.885 3.231 ( -3.441 -2.835 -3.623) 5.745 3.231 ( -3.441 -2.835 3.623) 5.745 9.003 ( 1.401 -0.225 -0.608) 1.544 9.003 ( 1.401 -0.225 0.608) 1.544 9.073 ( -0.232 -2.166 -0.776) 2.312 9.073 ( -0.232 -2.166 0.776) 2.312 9.335 ( 0.796 3.651 -0.617) 3.787 9.335 ( 0.796 3.651 0.617) 3.787 9.374 ( -0.820 1.902 -0.527) 2.138 9.374 ( -0.820 1.902 0.527) 2.138 11.152 ( 1.737 0.803 -0.272) 1.933 11.152 ( 1.737 0.803 0.272) 1.933 11.275 ( -3.411 -0.794 -1.411) 3.776 11.275 ( -3.411 -0.794 1.411) 3.776 11.370 ( -1.809 1.778 -0.496) 2.584 11.370 ( -1.809 1.778 0.496) 2.584 11.450 ( -2.491 -0.385 -0.130) 2.524 11.450 ( -2.491 -0.385 0.130) 2.524 11.820 ( 2.371 0.205 -1.186) 2.659 11.820 ( 2.371 0.205 1.186) 2.659 11.866 ( 2.110 -0.735 -1.450) 2.664 11.866 ( 2.110 -0.735 1.450) 2.664 23.961 ( -0.024 0.007 -0.030) 0.039 23.961 ( -0.024 0.007 0.030) 0.039 23.967 ( -0.177 0.000 -0.148) 0.231 23.967 ( -0.177 0.000 0.148) 0.231 24.446 ( 0.904 -0.623 -0.933) 1.441 24.446 ( 0.904 -0.623 0.933) 1.441 24.483 ( -0.119 -1.207 -0.514) 1.318 24.483 ( -0.119 -1.207 0.514) 1.318 24.774 ( 2.832 2.614 -1.051) 3.995 24.774 ( 2.832 2.614 1.051) 3.995 25.024 ( -4.288 1.603 -3.235) 5.605 25.024 ( -4.288 1.603 3.235) 5.605 25.267 ( 5.335 -2.072 -3.199) 6.556 25.267 ( 5.335 -2.072 3.199) 6.556 25.475 ( -2.015 -1.090 -3.273) 3.995 25.475 ( -2.015 -1.090 3.273) 3.995 ======================= Grid point 174 (56/60) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -0.000 3.925 -0.000) 3.925 1.155 ( 0.000 3.925 0.000) 3.925 1.186 ( -0.000 5.359 0.000) 5.359 1.186 ( 0.000 5.359 -0.000) 5.359 1.232 ( 0.000 7.802 -0.000) 7.802 1.232 ( 0.000 7.802 0.000) 7.802 1.284 ( 0.000 -0.417 0.000) 0.417 1.284 ( 0.000 -0.417 0.000) 0.417 1.404 ( 0.000 0.393 0.000) 0.393 1.404 ( 0.000 0.393 0.000) 0.393 1.473 ( 0.000 -4.736 -0.000) 4.736 1.473 ( 0.000 -4.736 0.000) 4.736 1.534 ( -0.000 0.404 -0.000) 0.404 1.534 ( -0.000 0.404 0.000) 0.404 1.611 ( 0.000 -3.408 -0.000) 3.408 1.611 ( 0.000 -3.408 0.000) 3.408 1.661 ( -0.000 -0.203 0.000) 0.203 1.661 ( 0.000 -0.203 0.000) 0.203 1.779 ( 0.000 -0.283 0.000) 0.283 1.779 ( 0.000 -0.283 0.000) 0.283 1.945 ( 0.000 0.401 0.000) 0.401 1.945 ( 0.000 0.401 0.000) 0.401 2.091 ( 0.000 1.987 -0.000) 1.987 2.091 ( -0.000 1.987 0.000) 1.987 2.212 ( 0.000 1.939 0.000) 1.939 2.212 ( 0.000 1.939 0.000) 1.939 2.268 ( 0.000 2.726 -0.000) 2.726 2.268 ( 0.000 2.726 0.000) 2.726 2.414 ( 0.000 1.485 -0.000) 1.485 2.414 ( 0.000 1.485 0.000) 1.485 2.432 ( -0.000 0.520 -0.000) 0.520 2.432 ( 0.000 0.520 0.000) 0.520 2.578 ( 0.000 -2.721 0.000) 2.721 2.578 ( 0.000 -2.721 0.000) 2.721 2.626 ( 0.000 -4.119 -0.000) 4.119 2.626 ( 0.000 -4.119 0.000) 4.119 2.758 ( 0.000 4.062 0.000) 4.062 2.758 ( 0.000 4.062 0.000) 4.062 2.815 ( 0.000 1.275 0.000) 1.275 2.815 ( 0.000 1.275 0.000) 1.275 3.123 ( -0.000 -1.051 0.000) 1.051 3.123 ( 0.000 -1.051 0.000) 1.051 3.126 ( -0.000 0.480 -0.000) 0.480 3.126 ( 0.000 0.480 -0.000) 0.480 3.173 ( -0.000 1.150 -0.000) 1.150 3.173 ( 0.000 1.150 0.000) 1.150 3.194 ( 0.000 -1.178 -0.000) 1.178 3.194 ( 0.000 -1.178 0.000) 1.178 9.023 ( 0.000 -0.081 0.000) 0.081 9.023 ( 0.000 -0.081 0.000) 0.081 9.065 ( 0.000 -2.437 0.000) 2.437 9.065 ( 0.000 -2.437 0.000) 2.437 9.349 ( -0.000 3.070 -0.000) 3.070 9.349 ( -0.000 3.070 0.000) 3.070 9.359 ( 0.000 2.670 -0.000) 2.670 9.359 ( 0.000 2.670 0.000) 2.670 11.176 ( 0.000 1.169 0.000) 1.169 11.176 ( 0.000 1.169 0.000) 1.169 11.234 ( -0.000 -1.157 0.000) 1.157 11.234 ( 0.000 -1.157 0.000) 1.157 11.351 ( 0.000 1.793 0.000) 1.793 11.351 ( 0.000 1.793 0.000) 1.793 11.424 ( 0.000 -0.763 0.000) 0.763 11.424 ( 0.000 -0.763 0.000) 0.763 11.843 ( 0.000 0.215 -0.000) 0.215 11.843 ( 0.000 0.215 0.000) 0.215 11.888 ( 0.000 -0.411 0.000) 0.411 11.888 ( 0.000 -0.411 0.000) 0.411 23.961 ( 0.000 0.087 0.000) 0.087 23.961 ( 0.000 0.087 0.000) 0.087 23.965 ( 0.000 -0.087 0.000) 0.087 23.965 ( 0.000 -0.087 0.000) 0.087 24.458 ( 0.000 -0.140 0.000) 0.140 24.458 ( -0.000 -0.140 0.000) 0.140 24.479 ( 0.000 -1.489 0.000) 1.489 24.479 ( 0.000 -1.489 0.000) 1.489 24.826 ( 0.000 4.241 0.000) 4.241 24.826 ( 0.000 4.241 0.000) 4.241 24.953 ( 0.000 -0.532 -0.000) 0.532 24.953 ( 0.000 -0.532 0.000) 0.532 25.334 ( 0.000 0.834 0.000) 0.834 25.334 ( 0.000 0.834 0.000) 0.834 25.448 ( 0.000 -3.495 -0.000) 3.495 25.448 ( 0.000 -3.495 0.000) 3.495 ======================= Grid point 182 (57/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 0.000 -0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 1.173 ( 0.000 -0.000 0.000) 0.000 1.173 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 -0.000 -0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 -0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 -0.000 -0.000) 0.000 1.606 ( 0.000 0.000 -0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 -0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 -0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 -0.000 -0.000) 0.000 2.403 ( 0.000 0.000 -0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 -0.000) 0.000 2.605 ( 0.000 -0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 -0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 -0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 -0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.509 ( 0.000 0.000 0.000) 0.000 11.509 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 23.963 ( 0.000 0.000 0.000) 0.000 23.963 ( 0.000 0.000 0.000) 0.000 23.972 ( 0.000 0.000 0.000) 0.000 23.972 ( 0.000 0.000 0.000) 0.000 24.411 ( 0.000 0.000 0.000) 0.000 24.411 ( 0.000 0.000 0.000) 0.000 24.466 ( 0.000 0.000 0.000) 0.000 24.466 ( 0.000 0.000 0.000) 0.000 24.773 ( 0.000 0.000 0.000) 0.000 24.773 ( 0.000 0.000 0.000) 0.000 25.017 ( 0.000 0.000 0.000) 0.000 25.017 ( 0.000 0.000 0.000) 0.000 25.142 ( 0.000 0.000 0.000) 0.000 25.142 ( 0.000 0.000 0.000) 0.000 25.557 ( 0.000 0.000 0.000) 0.000 25.557 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 186 (58/60) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 5.971 0.000 0.000) 5.971 0.953 ( 5.971 0.000 0.000) 5.971 1.200 ( 0.996 0.000 0.000) 0.996 1.200 ( 0.996 0.000 0.000) 0.996 1.257 ( 6.062 0.000 -0.000) 6.062 1.257 ( 6.062 0.000 0.000) 6.062 1.295 ( 1.360 -0.000 -0.000) 1.360 1.295 ( 1.360 -0.000 0.000) 1.360 1.325 ( 0.439 0.000 -0.000) 0.439 1.325 ( 0.439 0.000 0.000) 0.439 1.406 ( 0.275 -0.000 0.000) 0.275 1.406 ( 0.275 0.000 0.000) 0.275 1.507 ( 3.444 0.000 -0.000) 3.444 1.507 ( 3.444 0.000 0.000) 3.444 1.549 ( 0.866 -0.000 -0.000) 0.866 1.549 ( 0.866 0.000 0.000) 0.866 1.612 ( 1.128 -0.000 -0.000) 1.128 1.612 ( 1.128 0.000 0.000) 1.128 1.745 ( -1.666 0.000 0.000) 1.666 1.745 ( -1.666 0.000 0.000) 1.666 1.885 ( 4.907 -0.000 -0.000) 4.907 1.885 ( 4.907 0.000 0.000) 4.907 1.932 ( -0.298 -0.000 0.000) 0.298 1.932 ( -0.298 0.000 0.000) 0.298 2.200 ( 2.682 0.000 -0.000) 2.682 2.200 ( 2.682 0.000 0.000) 2.682 2.365 ( -1.749 -0.000 -0.000) 1.749 2.365 ( -1.749 0.000 0.000) 1.749 2.377 ( -2.269 0.000 -0.000) 2.269 2.377 ( -2.269 -0.000 0.000) 2.269 2.511 ( -0.127 -0.000 0.000) 0.127 2.511 ( -0.127 0.000 0.000) 0.127 2.589 ( -1.576 0.000 0.000) 1.576 2.589 ( -1.576 0.000 0.000) 1.576 2.658 ( -1.148 0.000 -0.000) 1.148 2.658 ( -1.148 0.000 0.000) 1.148 2.726 ( 1.528 0.000 0.000) 1.528 2.726 ( 1.528 0.000 0.000) 1.528 2.895 ( -1.111 0.000 0.000) 1.111 2.895 ( -1.111 0.000 0.000) 1.111 3.103 ( -0.020 0.000 -0.000) 0.020 3.103 ( -0.020 0.000 0.000) 0.020 3.151 ( 0.478 0.000 -0.000) 0.478 3.151 ( 0.478 0.000 0.000) 0.478 3.169 ( 0.418 0.000 -0.000) 0.418 3.169 ( 0.418 0.000 0.000) 0.418 3.233 ( -1.627 0.000 -0.000) 1.627 3.233 ( -1.627 0.000 0.000) 1.627 8.980 ( 0.749 0.000 -0.000) 0.749 8.980 ( 0.749 0.000 0.000) 0.749 9.048 ( 0.403 0.000 0.000) 0.403 9.048 ( 0.403 0.000 0.000) 0.403 9.370 ( 0.539 0.000 0.000) 0.539 9.370 ( 0.539 -0.000 0.000) 0.539 9.393 ( -0.440 0.000 -0.000) 0.440 9.393 ( -0.440 0.000 -0.000) 0.440 11.132 ( 1.170 0.000 0.000) 1.170 11.132 ( 1.170 0.000 0.000) 1.170 11.323 ( -2.228 0.000 0.000) 2.228 11.323 ( -2.228 0.000 0.000) 2.228 11.457 ( -3.603 -0.000 -0.000) 3.603 11.457 ( -3.603 0.000 0.000) 3.603 11.510 ( -4.316 0.000 0.000) 4.316 11.510 ( -4.316 0.000 0.000) 4.316 11.770 ( 3.782 0.000 0.000) 3.782 11.770 ( 3.782 0.000 0.000) 3.782 11.783 ( 3.559 -0.000 -0.000) 3.559 11.783 ( 3.559 0.000 0.000) 3.559 23.962 ( -0.049 0.000 -0.000) 0.049 23.962 ( -0.049 0.000 0.000) 0.049 23.971 ( -0.159 0.000 -0.000) 0.159 23.971 ( -0.159 0.000 0.000) 0.159 24.419 ( 0.728 0.000 0.000) 0.728 24.419 ( 0.728 0.000 0.000) 0.728 24.469 ( 0.239 0.000 0.000) 0.239 24.469 ( 0.239 0.000 0.000) 0.239 24.767 ( 0.188 0.000 0.000) 0.188 24.767 ( 0.188 0.000 0.000) 0.188 25.097 ( 6.886 0.000 -0.000) 6.886 25.097 ( 6.886 0.000 0.000) 6.886 25.119 ( -2.483 -0.000 -0.000) 2.483 25.119 ( -2.483 -0.000 0.000) 2.483 25.527 ( -2.675 0.000 0.000) 2.675 25.527 ( -2.675 0.000 0.000) 2.675 ======================= Grid point 190 (59/60) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 7.677 0.000 -0.000) 7.677 1.101 ( 7.677 0.000 0.000) 7.677 1.228 ( 1.503 -0.000 0.000) 1.503 1.228 ( 1.503 0.000 0.000) 1.503 1.307 ( -0.469 -0.000 0.000) 0.469 1.307 ( -0.469 0.000 0.000) 0.469 1.319 ( -0.150 0.000 -0.000) 0.150 1.319 ( -0.150 0.000 -0.000) 0.150 1.359 ( 3.175 0.000 0.000) 3.175 1.359 ( 3.175 0.000 0.000) 3.175 1.417 ( 0.702 0.000 -0.000) 0.702 1.417 ( 0.702 0.000 0.000) 0.702 1.547 ( 0.119 0.000 0.000) 0.119 1.547 ( 0.119 0.000 0.000) 0.119 1.573 ( 0.606 0.000 -0.000) 0.606 1.573 ( 0.606 0.000 -0.000) 0.606 1.688 ( 4.685 -0.000 -0.000) 4.685 1.688 ( 4.685 0.000 -0.000) 4.685 1.689 ( -1.983 -0.000 0.000) 1.983 1.689 ( -1.983 0.000 0.000) 1.983 1.944 ( 2.322 0.000 0.000) 2.322 1.944 ( 2.322 0.000 0.000) 2.322 2.009 ( 5.358 0.000 -0.000) 5.358 2.009 ( 5.358 0.000 0.000) 5.358 2.260 ( 2.169 0.000 -0.000) 2.169 2.260 ( 2.169 0.000 0.000) 2.169 2.319 ( -2.849 -0.000 -0.000) 2.849 2.319 ( -2.849 0.000 -0.000) 2.849 2.352 ( 1.441 -0.000 0.000) 1.441 2.352 ( 1.441 0.000 0.000) 1.441 2.505 ( -0.462 -0.000 0.000) 0.462 2.505 ( -0.462 0.000 0.000) 0.462 2.545 ( -2.348 0.000 0.000) 2.348 2.545 ( -2.348 0.000 0.000) 2.348 2.623 ( -2.536 0.000 0.000) 2.536 2.623 ( -2.536 0.000 0.000) 2.536 2.765 ( 2.331 0.000 0.000) 2.331 2.765 ( 2.331 0.000 0.000) 2.331 2.862 ( -2.117 0.000 -0.000) 2.117 2.862 ( -2.117 0.000 0.000) 2.117 3.101 ( 0.078 0.000 0.000) 0.078 3.101 ( 0.078 0.000 0.000) 0.078 3.153 ( -0.728 0.000 0.000) 0.728 3.153 ( -0.728 0.000 0.000) 0.728 3.181 ( 0.500 0.000 0.000) 0.500 3.181 ( 0.500 0.000 0.000) 0.500 3.195 ( -1.568 0.000 -0.000) 1.568 3.195 ( -1.568 0.000 0.000) 1.568 9.002 ( 1.397 0.000 0.000) 1.397 9.002 ( 1.397 0.000 0.000) 1.397 9.050 ( -0.377 0.000 0.000) 0.377 9.050 ( -0.377 0.000 0.000) 0.377 9.380 ( 0.390 -0.000 0.000) 0.390 9.380 ( 0.390 0.000 0.000) 0.390 9.385 ( -0.225 0.000 0.000) 0.225 9.385 ( -0.225 0.000 -0.000) 0.225 11.164 ( 1.858 -0.000 0.000) 1.858 11.164 ( 1.858 0.000 0.000) 1.858 11.263 ( -3.289 0.000 0.000) 3.289 11.263 ( -3.289 0.000 0.000) 3.289 11.403 ( -1.642 -0.000 0.000) 1.642 11.403 ( -1.642 0.000 0.000) 1.642 11.431 ( -3.217 -0.000 0.000) 3.217 11.431 ( -3.217 0.000 0.000) 3.217 11.837 ( 2.564 0.000 0.000) 2.564 11.837 ( 2.564 0.000 0.000) 2.564 11.844 ( 2.234 0.000 0.000) 2.234 11.844 ( 2.234 0.000 0.000) 2.234 23.961 ( 0.015 0.000 -0.000) 0.015 23.961 ( 0.015 0.000 0.000) 0.015 23.967 ( -0.223 0.000 -0.000) 0.223 23.967 ( -0.223 0.000 0.000) 0.223 24.438 ( 1.131 0.000 0.000) 1.131 24.438 ( 1.131 0.000 0.000) 1.131 24.471 ( -0.149 0.000 0.000) 0.149 24.471 ( -0.149 0.000 0.000) 0.149 24.802 ( 3.552 0.000 0.000) 3.552 24.802 ( 3.552 0.000 0.000) 3.552 25.035 ( -5.851 0.000 -0.000) 5.851 25.035 ( -5.851 0.000 0.000) 5.851 25.249 ( 7.614 0.000 0.000) 7.614 25.249 ( 7.614 0.000 0.000) 7.614 25.465 ( -3.462 0.000 0.000) 3.462 25.465 ( -3.462 0.000 0.000) 3.462 ======================= Grid point 194 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -1.754 -2.595 0.000) 3.132 1.220 ( -1.754 -2.595 0.000) 3.132 1.220 ( 1.754 2.595 -0.000) 3.132 1.220 ( 1.754 2.595 0.000) 3.132 1.302 ( -0.112 -3.607 -0.000) 3.609 1.302 ( -0.112 -3.607 -0.000) 3.609 1.302 ( 0.112 3.607 0.000) 3.609 1.302 ( 0.112 3.607 0.000) 3.609 1.412 ( -0.967 -0.989 0.000) 1.383 1.412 ( -0.967 -0.989 0.000) 1.383 1.412 ( 0.967 0.989 0.000) 1.383 1.412 ( 0.967 0.989 0.000) 1.383 1.554 ( -0.483 -1.136 0.000) 1.234 1.554 ( -0.483 -1.136 0.000) 1.234 1.554 ( 0.483 1.136 -0.000) 1.234 1.554 ( 0.483 1.136 0.000) 1.234 1.705 ( -0.417 -4.699 0.000) 4.718 1.705 ( -0.417 -4.699 0.000) 4.718 1.705 ( 0.417 4.699 0.000) 4.718 1.705 ( 0.417 4.699 0.000) 4.718 2.027 ( -1.149 -5.624 0.000) 5.740 2.027 ( -1.149 -5.624 0.000) 5.740 2.027 ( 1.149 5.624 -0.000) 5.740 2.027 ( 1.149 5.624 0.000) 5.740 2.278 ( -0.145 -2.042 -0.000) 2.048 2.278 ( -0.145 -2.042 0.000) 2.048 2.278 ( 0.145 2.042 0.000) 2.048 2.278 ( 0.145 2.042 0.000) 2.048 2.437 ( -5.339 -0.000 -0.000) 5.339 2.437 ( -5.339 -0.000 0.000) 5.339 2.437 ( 5.339 0.000 0.000) 5.339 2.437 ( 5.339 0.000 0.000) 5.339 2.561 ( -2.389 -0.755 0.000) 2.505 2.561 ( -2.389 -0.755 0.000) 2.505 2.561 ( 2.389 0.755 0.000) 2.505 2.561 ( 2.389 0.755 0.000) 2.505 2.815 ( -1.630 -1.127 0.000) 1.982 2.815 ( -1.630 -1.127 0.000) 1.982 2.815 ( 1.630 1.127 0.000) 1.982 2.815 ( 1.630 1.127 0.000) 1.982 3.119 ( -1.620 -0.207 -0.000) 1.633 3.119 ( -1.620 -0.207 0.000) 1.633 3.119 ( 1.620 0.207 0.000) 1.633 3.119 ( 1.620 0.207 0.000) 1.633 3.185 ( -0.000 -0.272 -0.000) 0.272 3.185 ( -0.000 -0.272 0.000) 0.272 3.185 ( 0.000 0.272 -0.000) 0.272 3.185 ( 0.000 0.272 0.000) 0.272 9.031 ( -0.746 -0.876 0.000) 1.151 9.031 ( -0.746 -0.876 0.000) 1.151 9.031 ( 0.746 0.876 0.000) 1.151 9.031 ( 0.746 0.876 0.000) 1.151 9.384 ( -0.002 -0.277 0.000) 0.277 9.384 ( -0.002 -0.277 0.000) 0.277 9.384 ( 0.002 0.277 0.000) 0.277 9.384 ( 0.002 0.277 0.000) 0.277 11.206 ( -1.438 -1.297 -0.000) 1.937 11.206 ( -1.438 -1.297 0.000) 1.937 11.206 ( 1.438 1.297 0.000) 1.937 11.206 ( 1.438 1.297 0.000) 1.937 11.392 ( -0.090 -2.180 0.000) 2.182 11.392 ( -0.090 -2.180 0.000) 2.182 11.392 ( 0.090 2.180 0.000) 2.182 11.392 ( 0.090 2.180 0.000) 2.182 11.865 ( -0.011 -1.572 0.000) 1.572 11.865 ( -0.011 -1.572 0.000) 1.572 11.865 ( 0.011 1.572 0.000) 1.572 11.865 ( 0.011 1.572 0.000) 1.572 23.963 ( -0.089 -0.071 0.000) 0.114 23.963 ( -0.089 -0.071 0.000) 0.114 23.963 ( 0.089 0.071 0.000) 0.114 23.963 ( 0.089 0.071 0.000) 0.114 24.460 ( -0.655 -0.343 0.000) 0.739 24.460 ( -0.655 -0.343 0.000) 0.739 24.460 ( 0.655 0.343 0.000) 0.739 24.460 ( 0.655 0.343 0.000) 0.739 24.906 ( -4.194 -2.786 0.000) 5.035 24.906 ( -4.194 -2.786 0.000) 5.035 24.906 ( 4.194 2.786 0.000) 5.035 24.906 ( 4.194 2.786 0.000) 5.035 25.380 ( -3.331 -2.552 0.000) 4.197 25.380 ( -3.331 -2.552 0.000) 4.197 25.380 ( 3.331 2.552 0.000) 4.197 25.380 ( 3.331 2.552 0.000) 4.197 =================== 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 3/16128 10.0 11.857 11.917 7.502 0.000 0.000 -0.000 3/16128 20.0 2.457 2.525 1.428 0.000 0.000 -0.000 3/16128 30.0 1.246 1.296 0.725 0.000 0.000 -0.000 3/16128 40.0 0.842 0.888 0.494 0.000 0.000 -0.000 3/16128 50.0 0.643 0.687 0.381 0.000 0.000 -0.000 3/16128 60.0 0.525 0.567 0.313 0.000 0.000 -0.000 3/16128 70.0 0.446 0.486 0.267 0.000 0.000 -0.000 3/16128 80.0 0.389 0.428 0.234 0.000 0.000 -0.000 3/16128 90.0 0.347 0.385 0.208 0.000 0.000 -0.000 3/16128 100.0 0.314 0.350 0.188 0.000 0.000 -0.000 3/16128 110.0 0.287 0.322 0.172 0.000 0.000 -0.000 3/16128 120.0 0.266 0.299 0.158 0.000 0.000 -0.000 3/16128 130.0 0.248 0.279 0.147 0.000 0.000 -0.000 3/16128 140.0 0.233 0.262 0.137 0.000 0.000 -0.000 3/16128 150.0 0.220 0.248 0.129 0.000 0.000 -0.000 3/16128 160.0 0.209 0.235 0.121 0.000 0.000 -0.000 3/16128 170.0 0.199 0.224 0.115 0.000 0.000 -0.000 3/16128 180.0 0.190 0.214 0.110 0.000 0.000 -0.000 3/16128 190.0 0.183 0.205 0.105 0.000 0.000 -0.000 3/16128 200.0 0.176 0.197 0.100 0.000 0.000 -0.000 3/16128 210.0 0.170 0.190 0.096 0.000 0.000 -0.000 3/16128 220.0 0.164 0.184 0.093 0.000 0.000 -0.000 3/16128 230.0 0.159 0.178 0.090 0.000 0.000 -0.000 3/16128 240.0 0.155 0.172 0.087 0.000 0.000 -0.000 3/16128 250.0 0.151 0.167 0.084 0.000 0.000 -0.000 3/16128 260.0 0.147 0.163 0.082 0.000 0.000 -0.000 3/16128 270.0 0.143 0.159 0.080 0.000 0.000 -0.000 3/16128 280.0 0.140 0.155 0.078 0.000 0.000 -0.000 3/16128 290.0 0.137 0.151 0.076 0.000 0.000 -0.000 3/16128 300.0 0.134 0.148 0.074 0.000 0.000 -0.000 3/16128 310.0 0.132 0.145 0.072 0.000 0.000 -0.000 3/16128 320.0 0.129 0.142 0.071 0.000 0.000 -0.000 3/16128 330.0 0.127 0.139 0.069 0.000 0.000 -0.000 3/16128 340.0 0.124 0.136 0.068 0.000 0.000 -0.000 3/16128 350.0 0.122 0.134 0.067 0.000 0.000 -0.000 3/16128 360.0 0.120 0.131 0.065 0.000 0.000 -0.000 3/16128 370.0 0.118 0.129 0.064 0.000 0.000 -0.000 3/16128 380.0 0.116 0.127 0.063 0.000 0.000 -0.000 3/16128 390.0 0.114 0.125 0.062 0.000 0.000 -0.000 3/16128 400.0 0.112 0.123 0.061 0.000 0.000 -0.000 3/16128 410.0 0.111 0.121 0.060 0.000 0.000 -0.000 3/16128 420.0 0.109 0.119 0.059 0.000 0.000 -0.000 3/16128 430.0 0.107 0.117 0.058 0.000 0.000 -0.000 3/16128 440.0 0.106 0.115 0.057 0.000 0.000 -0.000 3/16128 450.0 0.104 0.114 0.056 0.000 0.000 -0.000 3/16128 460.0 0.103 0.112 0.055 0.000 0.000 -0.000 3/16128 470.0 0.102 0.110 0.055 0.000 0.000 -0.000 3/16128 480.0 0.100 0.109 0.054 0.000 0.000 -0.000 3/16128 490.0 0.099 0.107 0.053 0.000 0.000 -0.000 3/16128 500.0 0.097 0.106 0.052 0.000 0.000 -0.000 3/16128 510.0 0.096 0.105 0.052 0.000 0.000 -0.000 3/16128 520.0 0.095 0.103 0.051 0.000 0.000 -0.000 3/16128 530.0 0.094 0.102 0.050 0.000 0.000 -0.000 3/16128 540.0 0.093 0.101 0.050 0.000 0.000 -0.000 3/16128 550.0 0.091 0.099 0.049 0.000 0.000 -0.000 3/16128 560.0 0.090 0.098 0.048 0.000 0.000 -0.000 3/16128 570.0 0.089 0.097 0.048 0.000 0.000 -0.000 3/16128 580.0 0.088 0.096 0.047 0.000 0.000 -0.000 3/16128 590.0 0.087 0.095 0.047 0.000 0.000 -0.000 3/16128 600.0 0.086 0.094 0.046 0.000 0.000 -0.000 3/16128 610.0 0.085 0.093 0.045 0.000 0.000 -0.000 3/16128 620.0 0.084 0.091 0.045 0.000 0.000 -0.000 3/16128 630.0 0.083 0.090 0.044 0.000 0.000 -0.000 3/16128 640.0 0.082 0.089 0.044 0.000 0.000 -0.000 3/16128 650.0 0.081 0.088 0.043 0.000 0.000 -0.000 3/16128 660.0 0.080 0.087 0.043 0.000 0.000 -0.000 3/16128 670.0 0.079 0.087 0.042 0.000 0.000 -0.000 3/16128 680.0 0.079 0.086 0.042 0.000 0.000 -0.000 3/16128 690.0 0.078 0.085 0.042 0.000 0.000 -0.000 3/16128 700.0 0.077 0.084 0.041 0.000 0.000 -0.000 3/16128 710.0 0.076 0.083 0.041 0.000 0.000 -0.000 3/16128 720.0 0.075 0.082 0.040 0.000 0.000 -0.000 3/16128 730.0 0.075 0.081 0.040 0.000 0.000 -0.000 3/16128 740.0 0.074 0.080 0.039 0.000 0.000 -0.000 3/16128 750.0 0.073 0.080 0.039 0.000 0.000 -0.000 3/16128 760.0 0.072 0.079 0.039 0.000 0.000 -0.000 3/16128 770.0 0.072 0.078 0.038 0.000 0.000 -0.000 3/16128 780.0 0.071 0.077 0.038 0.000 0.000 -0.000 3/16128 790.0 0.070 0.077 0.037 0.000 0.000 -0.000 3/16128 800.0 0.070 0.076 0.037 0.000 0.000 -0.000 3/16128 810.0 0.069 0.075 0.037 0.000 0.000 -0.000 3/16128 820.0 0.068 0.075 0.036 0.000 0.000 -0.000 3/16128 830.0 0.068 0.074 0.036 0.000 0.000 -0.000 3/16128 840.0 0.067 0.073 0.036 0.000 0.000 -0.000 3/16128 850.0 0.066 0.073 0.035 0.000 0.000 -0.000 3/16128 860.0 0.066 0.072 0.035 0.000 0.000 -0.000 3/16128 870.0 0.065 0.071 0.035 0.000 0.000 -0.000 3/16128 880.0 0.065 0.071 0.034 0.000 0.000 -0.000 3/16128 890.0 0.064 0.070 0.034 0.000 0.000 -0.000 3/16128 900.0 0.063 0.069 0.034 0.000 0.000 -0.000 3/16128 910.0 0.063 0.069 0.033 0.000 0.000 -0.000 3/16128 920.0 0.062 0.068 0.033 0.000 0.000 -0.000 3/16128 930.0 0.062 0.068 0.033 0.000 0.000 -0.000 3/16128 940.0 0.061 0.067 0.033 0.000 0.000 -0.000 3/16128 950.0 0.061 0.067 0.032 0.000 0.000 -0.000 3/16128 960.0 0.060 0.066 0.032 0.000 0.000 -0.000 3/16128 970.0 0.060 0.065 0.032 0.000 0.000 -0.000 3/16128 980.0 0.059 0.065 0.031 0.000 0.000 -0.000 3/16128 990.0 0.059 0.064 0.031 0.000 0.000 -0.000 3/16128 1000.0 0.058 0.064 0.031 0.000 0.000 -0.000 3/16128 Thermal conductivity related properties were written into "kappa-m684.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:36:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|