----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:24:19]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.534293964266735 -3.810155234999999 0.000000000000000 b 5.534293964266735 3.810155234999999 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): *1 S 0.33142502507188 0.66857497492812 0.75000000000000 32.065 2 S 0.66857497492812 0.33142502507188 0.25000000000000 32.065 *3 S 0.12477622467077 0.84609759251619 0.38063883293356 32.065 4 S 0.15390240748381 0.87522377532923 0.11936116706644 32.065 5 S 0.87522377532923 0.15390240748381 0.61936116706644 32.065 6 S 0.84609759251619 0.12477622467077 0.88063883293356 32.065 *7 S 0.74292578906006 0.64879572897069 0.54191343865717 32.065 8 S 0.35120427102931 0.25707421093994 0.95808656134283 32.065 9 S 0.64879572897069 0.74292578906006 0.04191343865717 32.065 10 S 0.25707421093994 0.35120427102931 0.45808656134283 32.065 *11 Sn 0.93568081845528 0.25113033044684 0.44050710892399 118.710 12 Sn 0.74886966955316 0.06431918154472 0.05949289107601 118.710 13 Sn 0.06431918154472 0.74886966955316 0.55949289107601 118.710 14 Sn 0.25113033044684 0.93568081845528 0.94050710892399 118.710 *15 Tl 0.10216030393816 0.45243364187548 0.18109113061538 204.383 16 Tl 0.54756635812452 0.89783969606184 0.31890886938462 204.383 17 Tl 0.89783969606184 0.54756635812452 0.81890886938462 204.383 18 Tl 0.45243364187548 0.10216030393816 0.68109113061538 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.068587928533470 0.000000000000000 0.000000000000000 b 0.000000000000000 7.620310469999999 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): *1 S 0.00000000000000 0.66857497492812 0.75000000000000 32.065 > 1 2 S 0.00000000000000 0.33142502507188 0.25000000000000 32.065 > 2 *3 S 0.98543690859348 0.86066068392271 0.38063883293356 32.065 > 3 4 S 0.01456309140652 0.86066068392271 0.11936116706644 32.065 > 4 5 S 0.01456309140652 0.13933931607729 0.61936116706644 32.065 > 5 6 S 0.98543690859348 0.13933931607729 0.88063883293356 32.065 > 6 *7 S 0.19586075901538 0.45293496995532 0.54191343865717 32.065 > 7 8 S 0.80413924098462 0.45293496995532 0.95808656134283 32.065 > 8 9 S 0.19586075901538 0.54706503004468 0.04191343865717 32.065 > 9 10 S 0.80413924098462 0.54706503004468 0.45808656134283 32.065 > 10 11 S 0.50000000000000 0.16857497492812 0.75000000000000 32.065 > 1 12 S 0.50000000000000 0.83142502507188 0.25000000000000 32.065 > 2 13 S 0.48543690859348 0.36066068392271 0.38063883293356 32.065 > 3 14 S 0.51456309140652 0.36066068392271 0.11936116706644 32.065 > 4 15 S 0.51456309140652 0.63933931607729 0.61936116706644 32.065 > 5 16 S 0.48543690859348 0.63933931607729 0.88063883293356 32.065 > 6 17 S 0.69586075901538 0.95293496995532 0.54191343865717 32.065 > 7 18 S 0.30413924098463 0.95293496995532 0.95808656134283 32.065 > 8 19 S 0.69586075901538 0.04706503004468 0.04191343865717 32.065 > 9 20 S 0.30413924098463 0.04706503004468 0.45808656134283 32.065 > 10 *21 Sn 0.09340557445106 0.15772475599578 0.44050710892399 118.710 > 11 22 Sn 0.90659442554894 0.15772475599578 0.05949289107601 118.710 > 12 23 Sn 0.90659442554894 0.84227524400422 0.55949289107601 118.710 > 13 24 Sn 0.09340557445106 0.84227524400422 0.94050710892399 118.710 > 14 25 Sn 0.59340557445106 0.65772475599578 0.44050710892399 118.710 > 11 26 Sn 0.40659442554894 0.65772475599578 0.05949289107601 118.710 > 12 27 Sn 0.40659442554894 0.34227524400422 0.55949289107601 118.710 > 13 28 Sn 0.59340557445106 0.34227524400422 0.94050710892399 118.710 > 14 *29 Tl 0.77729697290682 0.67513666896866 0.18109113061538 204.383 > 15 30 Tl 0.22270302709318 0.67513666896866 0.31890886938462 204.383 > 16 31 Tl 0.22270302709318 0.32486333103134 0.81890886938462 204.383 > 17 32 Tl 0.77729697290682 0.32486333103134 0.68109113061538 204.383 > 18 33 Tl 0.27729697290682 0.17513666896866 0.18109113061538 204.383 > 15 34 Tl 0.72270302709318 0.17513666896866 0.31890886938462 204.383 > 16 35 Tl 0.72270302709318 0.82486333103134 0.81890886938462 204.383 > 17 36 Tl 0.27729697290682 0.82486333103134 0.68109113061538 204.383 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.137175857066939 0.000000000000000 0.000000000000000 b 0.000000000000000 15.240620939999998 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): *1 S 0.00000000000000 0.33428748746406 0.75000000000000 32.065 > 1 2 S 0.50000000000000 0.33428748746406 0.75000000000000 32.065 > 1 3 S 0.00000000000000 0.83428748746406 0.75000000000000 32.065 > 1 4 S 0.50000000000000 0.83428748746406 0.75000000000000 32.065 > 1 5 S 0.00000000000000 0.16571251253594 0.25000000000000 32.065 > 2 6 S 0.50000000000000 0.16571251253594 0.25000000000000 32.065 > 2 7 S 0.00000000000000 0.66571251253594 0.25000000000000 32.065 > 2 8 S 0.50000000000000 0.66571251253594 0.25000000000000 32.065 > 2 *9 S 0.49271845429674 0.43033034196136 0.38063883293356 32.065 > 3 10 S 0.99271845429674 0.43033034196136 0.38063883293356 32.065 > 3 11 S 0.49271845429674 0.93033034196136 0.38063883293356 32.065 > 3 12 S 0.99271845429674 0.93033034196136 0.38063883293356 32.065 > 3 13 S 0.00728154570326 0.43033034196136 0.11936116706644 32.065 > 4 14 S 0.50728154570326 0.43033034196136 0.11936116706644 32.065 > 4 15 S 0.00728154570326 0.93033034196136 0.11936116706644 32.065 > 4 16 S 0.50728154570326 0.93033034196136 0.11936116706644 32.065 > 4 17 S 0.00728154570326 0.06966965803864 0.61936116706644 32.065 > 5 18 S 0.50728154570326 0.06966965803864 0.61936116706644 32.065 > 5 19 S 0.00728154570326 0.56966965803864 0.61936116706644 32.065 > 5 20 S 0.50728154570326 0.56966965803864 0.61936116706644 32.065 > 5 21 S 0.49271845429674 0.06966965803864 0.88063883293356 32.065 > 6 22 S 0.99271845429674 0.06966965803864 0.88063883293356 32.065 > 6 23 S 0.49271845429674 0.56966965803864 0.88063883293356 32.065 > 6 24 S 0.99271845429674 0.56966965803864 0.88063883293356 32.065 > 6 *25 S 0.09793037950769 0.22646748497766 0.54191343865717 32.065 > 7 26 S 0.59793037950769 0.22646748497766 0.54191343865717 32.065 > 7 27 S 0.09793037950769 0.72646748497766 0.54191343865717 32.065 > 7 28 S 0.59793037950769 0.72646748497766 0.54191343865717 32.065 > 7 29 S 0.40206962049231 0.22646748497766 0.95808656134283 32.065 > 8 30 S 0.90206962049231 0.22646748497766 0.95808656134283 32.065 > 8 31 S 0.40206962049231 0.72646748497766 0.95808656134283 32.065 > 8 32 S 0.90206962049231 0.72646748497766 0.95808656134283 32.065 > 8 33 S 0.09793037950769 0.27353251502234 0.04191343865717 32.065 > 9 34 S 0.59793037950769 0.27353251502234 0.04191343865717 32.065 > 9 35 S 0.09793037950769 0.77353251502234 0.04191343865717 32.065 > 9 36 S 0.59793037950769 0.77353251502234 0.04191343865717 32.065 > 9 37 S 0.40206962049231 0.27353251502234 0.45808656134283 32.065 > 10 38 S 0.90206962049231 0.27353251502234 0.45808656134283 32.065 > 10 39 S 0.40206962049231 0.77353251502234 0.45808656134283 32.065 > 10 40 S 0.90206962049231 0.77353251502234 0.45808656134283 32.065 > 10 41 S 0.25000000000000 0.08428748746406 0.75000000000000 32.065 > 1 42 S 0.75000000000000 0.08428748746406 0.75000000000000 32.065 > 1 43 S 0.25000000000000 0.58428748746406 0.75000000000000 32.065 > 1 44 S 0.75000000000000 0.58428748746406 0.75000000000000 32.065 > 1 45 S 0.25000000000000 0.41571251253594 0.25000000000000 32.065 > 2 46 S 0.75000000000000 0.41571251253594 0.25000000000000 32.065 > 2 47 S 0.25000000000000 0.91571251253594 0.25000000000000 32.065 > 2 48 S 0.75000000000000 0.91571251253594 0.25000000000000 32.065 > 2 49 S 0.24271845429674 0.18033034196136 0.38063883293356 32.065 > 3 50 S 0.74271845429674 0.18033034196136 0.38063883293356 32.065 > 3 51 S 0.24271845429674 0.68033034196136 0.38063883293356 32.065 > 3 52 S 0.74271845429674 0.68033034196136 0.38063883293356 32.065 > 3 53 S 0.25728154570326 0.18033034196136 0.11936116706644 32.065 > 4 54 S 0.75728154570326 0.18033034196136 0.11936116706644 32.065 > 4 55 S 0.25728154570326 0.68033034196136 0.11936116706644 32.065 > 4 56 S 0.75728154570326 0.68033034196136 0.11936116706644 32.065 > 4 57 S 0.25728154570326 0.31966965803864 0.61936116706644 32.065 > 5 58 S 0.75728154570326 0.31966965803864 0.61936116706644 32.065 > 5 59 S 0.25728154570326 0.81966965803864 0.61936116706644 32.065 > 5 60 S 0.75728154570326 0.81966965803864 0.61936116706644 32.065 > 5 61 S 0.24271845429674 0.31966965803864 0.88063883293356 32.065 > 6 62 S 0.74271845429674 0.31966965803864 0.88063883293356 32.065 > 6 63 S 0.24271845429674 0.81966965803864 0.88063883293356 32.065 > 6 64 S 0.74271845429674 0.81966965803864 0.88063883293356 32.065 > 6 65 S 0.34793037950769 0.47646748497766 0.54191343865717 32.065 > 7 66 S 0.84793037950769 0.47646748497766 0.54191343865717 32.065 > 7 67 S 0.34793037950769 0.97646748497766 0.54191343865717 32.065 > 7 68 S 0.84793037950769 0.97646748497766 0.54191343865717 32.065 > 7 69 S 0.15206962049231 0.47646748497766 0.95808656134283 32.065 > 8 70 S 0.65206962049231 0.47646748497766 0.95808656134283 32.065 > 8 71 S 0.15206962049231 0.97646748497766 0.95808656134283 32.065 > 8 72 S 0.65206962049231 0.97646748497766 0.95808656134283 32.065 > 8 73 S 0.34793037950769 0.02353251502234 0.04191343865717 32.065 > 9 74 S 0.84793037950769 0.02353251502234 0.04191343865717 32.065 > 9 75 S 0.34793037950769 0.52353251502234 0.04191343865717 32.065 > 9 76 S 0.84793037950769 0.52353251502234 0.04191343865717 32.065 > 9 77 S 0.15206962049231 0.02353251502234 0.45808656134283 32.065 > 10 78 S 0.65206962049231 0.02353251502234 0.45808656134283 32.065 > 10 79 S 0.15206962049231 0.52353251502234 0.45808656134283 32.065 > 10 80 S 0.65206962049231 0.52353251502234 0.45808656134283 32.065 > 10 *81 Sn 0.04670278722553 0.07886237799789 0.44050710892399 118.710 > 11 82 Sn 0.54670278722553 0.07886237799789 0.44050710892399 118.710 > 11 83 Sn 0.04670278722553 0.57886237799789 0.44050710892399 118.710 > 11 84 Sn 0.54670278722553 0.57886237799789 0.44050710892399 118.710 > 11 85 Sn 0.45329721277447 0.07886237799789 0.05949289107601 118.710 > 12 86 Sn 0.95329721277447 0.07886237799789 0.05949289107601 118.710 > 12 87 Sn 0.45329721277447 0.57886237799789 0.05949289107601 118.710 > 12 88 Sn 0.95329721277447 0.57886237799789 0.05949289107601 118.710 > 12 89 Sn 0.45329721277447 0.42113762200211 0.55949289107601 118.710 > 13 90 Sn 0.95329721277447 0.42113762200211 0.55949289107601 118.710 > 13 91 Sn 0.45329721277447 0.92113762200211 0.55949289107601 118.710 > 13 92 Sn 0.95329721277447 0.92113762200211 0.55949289107601 118.710 > 13 93 Sn 0.04670278722553 0.42113762200211 0.94050710892399 118.710 > 14 94 Sn 0.54670278722553 0.42113762200211 0.94050710892399 118.710 > 14 95 Sn 0.04670278722553 0.92113762200211 0.94050710892399 118.710 > 14 96 Sn 0.54670278722553 0.92113762200211 0.94050710892399 118.710 > 14 97 Sn 0.29670278722553 0.32886237799789 0.44050710892399 118.710 > 11 98 Sn 0.79670278722553 0.32886237799789 0.44050710892399 118.710 > 11 99 Sn 0.29670278722553 0.82886237799789 0.44050710892399 118.710 > 11 100 Sn 0.79670278722553 0.82886237799789 0.44050710892399 118.710 > 11 101 Sn 0.20329721277447 0.32886237799789 0.05949289107601 118.710 > 12 102 Sn 0.70329721277447 0.32886237799789 0.05949289107601 118.710 > 12 103 Sn 0.20329721277447 0.82886237799789 0.05949289107601 118.710 > 12 104 Sn 0.70329721277447 0.82886237799789 0.05949289107601 118.710 > 12 105 Sn 0.20329721277447 0.17113762200211 0.55949289107601 118.710 > 13 106 Sn 0.70329721277447 0.17113762200211 0.55949289107601 118.710 > 13 107 Sn 0.20329721277447 0.67113762200211 0.55949289107601 118.710 > 13 108 Sn 0.70329721277447 0.67113762200211 0.55949289107601 118.710 > 13 109 Sn 0.29670278722553 0.17113762200211 0.94050710892399 118.710 > 14 110 Sn 0.79670278722553 0.17113762200211 0.94050710892399 118.710 > 14 111 Sn 0.29670278722553 0.67113762200211 0.94050710892399 118.710 > 14 112 Sn 0.79670278722553 0.67113762200211 0.94050710892399 118.710 > 14 *113 Tl 0.38864848645341 0.33756833448433 0.18109113061538 204.383 > 15 114 Tl 0.88864848645341 0.33756833448433 0.18109113061538 204.383 > 15 115 Tl 0.38864848645341 0.83756833448433 0.18109113061538 204.383 > 15 116 Tl 0.88864848645341 0.83756833448433 0.18109113061538 204.383 > 15 117 Tl 0.11135151354659 0.33756833448433 0.31890886938462 204.383 > 16 118 Tl 0.61135151354659 0.33756833448433 0.31890886938462 204.383 > 16 119 Tl 0.11135151354659 0.83756833448433 0.31890886938462 204.383 > 16 120 Tl 0.61135151354659 0.83756833448433 0.31890886938462 204.383 > 16 121 Tl 0.11135151354659 0.16243166551567 0.81890886938462 204.383 > 17 122 Tl 0.61135151354659 0.16243166551567 0.81890886938462 204.383 > 17 123 Tl 0.11135151354659 0.66243166551567 0.81890886938462 204.383 > 17 124 Tl 0.61135151354659 0.66243166551567 0.81890886938462 204.383 > 17 125 Tl 0.38864848645341 0.16243166551567 0.68109113061538 204.383 > 18 126 Tl 0.88864848645341 0.16243166551567 0.68109113061538 204.383 > 18 127 Tl 0.38864848645341 0.66243166551567 0.68109113061538 204.383 > 18 128 Tl 0.88864848645341 0.66243166551567 0.68109113061538 204.383 > 18 129 Tl 0.13864848645341 0.08756833448433 0.18109113061538 204.383 > 15 130 Tl 0.63864848645341 0.08756833448433 0.18109113061538 204.383 > 15 131 Tl 0.13864848645341 0.58756833448433 0.18109113061538 204.383 > 15 132 Tl 0.63864848645341 0.58756833448433 0.18109113061538 204.383 > 15 133 Tl 0.36135151354659 0.08756833448433 0.31890886938462 204.383 > 16 134 Tl 0.86135151354659 0.08756833448433 0.31890886938462 204.383 > 16 135 Tl 0.36135151354659 0.58756833448433 0.31890886938462 204.383 > 16 136 Tl 0.86135151354659 0.58756833448433 0.31890886938462 204.383 > 16 137 Tl 0.36135151354659 0.41243166551567 0.81890886938462 204.383 > 17 138 Tl 0.86135151354659 0.41243166551567 0.81890886938462 204.383 > 17 139 Tl 0.36135151354659 0.91243166551567 0.81890886938462 204.383 > 17 140 Tl 0.86135151354659 0.91243166551567 0.81890886938462 204.383 > 17 141 Tl 0.13864848645341 0.41243166551567 0.68109113061538 204.383 > 18 142 Tl 0.63864848645341 0.41243166551567 0.68109113061538 204.383 > 18 143 Tl 0.13864848645341 0.91243166551567 0.68109113061538 204.383 > 18 144 Tl 0.63864848645341 0.91243166551567 0.68109113061538 204.383 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0471705 0.0000000 -0.2850772 0.0000000 8.2216966 0.0000000 -0.2850746 0.0000000 9.8902943 -------------------------- Born effective charges -------------------------- 1 S -1.7287654 0.0000000 -0.2224948 0.0000000 -2.0646587 0.0000000 -0.0308663 0.0000000 -2.8014788 2 S -1.7287654 0.0000000 -0.2224948 0.0000000 -2.0646587 0.0000000 -0.0308663 0.0000000 -2.8014788 3 S -2.4303139 -0.5456224 0.1931645 -0.4729590 -2.4105063 -0.3717643 0.1726501 -0.4581560 -2.2544924 4 S -2.4303139 0.5456224 0.1931645 0.4729590 -2.4105063 0.3717643 0.1726501 0.4581560 -2.2544924 5 S -2.4303139 -0.5456224 0.1931645 -0.4729590 -2.4105063 -0.3717643 0.1726501 -0.4581560 -2.2544924 6 S -2.4303139 0.5456224 0.1931645 0.4729590 -2.4105063 0.3717643 0.1726501 0.4581560 -2.2544924 7 S -2.3977533 -0.6921011 -0.2287572 -0.7228302 -2.5415105 -0.0464334 -0.1254045 0.0034594 -2.5895724 8 S -2.3977533 0.6921011 -0.2287572 0.7228302 -2.5415105 0.0464334 -0.1254045 -0.0034594 -2.5895724 9 S -2.3977533 0.6921011 -0.2287572 0.7228302 -2.5415105 0.0464334 -0.1254045 -0.0034594 -2.5895724 10 S -2.3977533 -0.6921011 -0.2287572 -0.7228302 -2.5415105 -0.0464334 -0.1254045 0.0034594 -2.5895724 11 Sn 3.8575381 1.1353711 0.2880415 0.9967151 3.9047907 0.2516691 0.1124555 -0.2326117 3.7025771 12 Sn 3.8575381 -1.1353711 0.2880415 -0.9967151 3.9047907 -0.2516691 0.1124555 0.2326117 3.7025771 13 Sn 3.8575381 1.1353711 0.2880415 0.9967151 3.9047907 0.2516691 0.1124555 -0.2326117 3.7025771 14 Sn 3.8575381 -1.1353711 0.2880415 -0.9967151 3.9047907 -0.2516691 0.1124555 0.2326117 3.7025771 15 Tl 1.8349117 0.2366300 -0.1412013 0.1554038 2.0795555 0.3616904 -0.1442680 0.1312896 2.5422271 16 Tl 1.8349117 -0.2366300 -0.1412013 -0.1554038 2.0795555 -0.3616904 -0.1442680 -0.1312896 2.5422271 17 Tl 1.8349117 0.2366300 -0.1412013 0.1554038 2.0795555 0.3616904 -0.1442680 0.1312896 2.5422271 18 Tl 1.8349117 -0.2366300 -0.1412013 -0.1554038 2.0795555 -0.3616904 -0.1442680 -0.1312896 2.5422271 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.027 Solver_block: 200 / 560 - Time: 0.906 Solver_block: 300 / 560 - Time: 0.906 Solver_block: 400 / 560 - Time: 0.908 Solver_block: 500 / 560 - Time: 0.909 Solver_block: 560 / 560 - Time: 0.630 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.410 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 137 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3013), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 7), data: (644, 15) @ (15, 7) |-- (144, 137), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-07 22:24:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:24:55]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.534293964266735 -3.810155234999999 0.000000000000000 b 5.534293964266735 3.810155234999999 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): 1 S 0.33142502507188 0.66857497492812 0.75000000000000 32.065 2 S 0.66857497492812 0.33142502507188 0.25000000000000 32.065 3 S 0.12477622467077 0.84609759251619 0.38063883293356 32.065 4 S 0.15390240748381 0.87522377532923 0.11936116706644 32.065 5 S 0.87522377532923 0.15390240748381 0.61936116706644 32.065 6 S 0.84609759251619 0.12477622467077 0.88063883293356 32.065 7 S 0.74292578906006 0.64879572897069 0.54191343865717 32.065 8 S 0.35120427102931 0.25707421093994 0.95808656134283 32.065 9 S 0.64879572897069 0.74292578906006 0.04191343865717 32.065 10 S 0.25707421093994 0.35120427102931 0.45808656134283 32.065 11 Sn 0.93568081845528 0.25113033044684 0.44050710892399 118.710 12 Sn 0.74886966955316 0.06431918154472 0.05949289107601 118.710 13 Sn 0.06431918154472 0.74886966955316 0.55949289107601 118.710 14 Sn 0.25113033044684 0.93568081845528 0.94050710892399 118.710 15 Tl 0.10216030393816 0.45243364187548 0.18109113061538 204.383 16 Tl 0.54756635812452 0.89783969606184 0.31890886938462 204.383 17 Tl 0.89783969606184 0.54756635812452 0.81890886938462 204.383 18 Tl 0.45243364187548 0.10216030393816 0.68109113061538 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.137175857066939 0.000000000000000 0.000000000000000 b 0.000000000000000 15.240620939999998 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): 1 S 0.00000000000000 0.33428748746406 0.75000000000000 32.065 > 1 2 S 0.50000000000000 0.33428748746406 0.75000000000000 32.065 > 1 3 S 0.00000000000000 0.83428748746406 0.75000000000000 32.065 > 1 4 S 0.50000000000000 0.83428748746406 0.75000000000000 32.065 > 1 5 S 0.00000000000000 0.16571251253594 0.25000000000000 32.065 > 5 6 S 0.50000000000000 0.16571251253594 0.25000000000000 32.065 > 5 7 S 0.00000000000000 0.66571251253594 0.25000000000000 32.065 > 5 8 S 0.50000000000000 0.66571251253594 0.25000000000000 32.065 > 5 9 S 0.49271845429674 0.43033034196136 0.38063883293356 32.065 > 9 10 S 0.99271845429674 0.43033034196136 0.38063883293356 32.065 > 9 11 S 0.49271845429674 0.93033034196136 0.38063883293356 32.065 > 9 12 S 0.99271845429674 0.93033034196136 0.38063883293356 32.065 > 9 13 S 0.00728154570326 0.43033034196136 0.11936116706644 32.065 > 13 14 S 0.50728154570326 0.43033034196136 0.11936116706644 32.065 > 13 15 S 0.00728154570326 0.93033034196136 0.11936116706644 32.065 > 13 16 S 0.50728154570326 0.93033034196136 0.11936116706644 32.065 > 13 17 S 0.00728154570326 0.06966965803864 0.61936116706644 32.065 > 17 18 S 0.50728154570326 0.06966965803864 0.61936116706644 32.065 > 17 19 S 0.00728154570326 0.56966965803864 0.61936116706644 32.065 > 17 20 S 0.50728154570326 0.56966965803864 0.61936116706644 32.065 > 17 21 S 0.49271845429674 0.06966965803864 0.88063883293356 32.065 > 21 22 S 0.99271845429674 0.06966965803864 0.88063883293356 32.065 > 21 23 S 0.49271845429674 0.56966965803864 0.88063883293356 32.065 > 21 24 S 0.99271845429674 0.56966965803864 0.88063883293356 32.065 > 21 25 S 0.09793037950769 0.22646748497766 0.54191343865717 32.065 > 25 26 S 0.59793037950769 0.22646748497766 0.54191343865717 32.065 > 25 27 S 0.09793037950769 0.72646748497766 0.54191343865717 32.065 > 25 28 S 0.59793037950769 0.72646748497766 0.54191343865717 32.065 > 25 29 S 0.40206962049231 0.22646748497766 0.95808656134283 32.065 > 29 30 S 0.90206962049231 0.22646748497766 0.95808656134283 32.065 > 29 31 S 0.40206962049231 0.72646748497766 0.95808656134283 32.065 > 29 32 S 0.90206962049231 0.72646748497766 0.95808656134283 32.065 > 29 33 S 0.09793037950769 0.27353251502234 0.04191343865717 32.065 > 33 34 S 0.59793037950769 0.27353251502234 0.04191343865717 32.065 > 33 35 S 0.09793037950769 0.77353251502234 0.04191343865717 32.065 > 33 36 S 0.59793037950769 0.77353251502234 0.04191343865717 32.065 > 33 37 S 0.40206962049231 0.27353251502234 0.45808656134283 32.065 > 37 38 S 0.90206962049231 0.27353251502234 0.45808656134283 32.065 > 37 39 S 0.40206962049231 0.77353251502234 0.45808656134283 32.065 > 37 40 S 0.90206962049231 0.77353251502234 0.45808656134283 32.065 > 37 41 S 0.25000000000000 0.08428748746406 0.75000000000000 32.065 > 1 42 S 0.75000000000000 0.08428748746406 0.75000000000000 32.065 > 1 43 S 0.25000000000000 0.58428748746406 0.75000000000000 32.065 > 1 44 S 0.75000000000000 0.58428748746406 0.75000000000000 32.065 > 1 45 S 0.25000000000000 0.41571251253594 0.25000000000000 32.065 > 5 46 S 0.75000000000000 0.41571251253594 0.25000000000000 32.065 > 5 47 S 0.25000000000000 0.91571251253594 0.25000000000000 32.065 > 5 48 S 0.75000000000000 0.91571251253594 0.25000000000000 32.065 > 5 49 S 0.24271845429674 0.18033034196136 0.38063883293356 32.065 > 9 50 S 0.74271845429674 0.18033034196136 0.38063883293356 32.065 > 9 51 S 0.24271845429674 0.68033034196136 0.38063883293356 32.065 > 9 52 S 0.74271845429674 0.68033034196136 0.38063883293356 32.065 > 9 53 S 0.25728154570326 0.18033034196136 0.11936116706644 32.065 > 13 54 S 0.75728154570326 0.18033034196136 0.11936116706644 32.065 > 13 55 S 0.25728154570326 0.68033034196136 0.11936116706644 32.065 > 13 56 S 0.75728154570326 0.68033034196136 0.11936116706644 32.065 > 13 57 S 0.25728154570326 0.31966965803864 0.61936116706644 32.065 > 17 58 S 0.75728154570326 0.31966965803864 0.61936116706644 32.065 > 17 59 S 0.25728154570326 0.81966965803864 0.61936116706644 32.065 > 17 60 S 0.75728154570326 0.81966965803864 0.61936116706644 32.065 > 17 61 S 0.24271845429674 0.31966965803864 0.88063883293356 32.065 > 21 62 S 0.74271845429674 0.31966965803864 0.88063883293356 32.065 > 21 63 S 0.24271845429674 0.81966965803864 0.88063883293356 32.065 > 21 64 S 0.74271845429674 0.81966965803864 0.88063883293356 32.065 > 21 65 S 0.34793037950769 0.47646748497766 0.54191343865717 32.065 > 25 66 S 0.84793037950769 0.47646748497766 0.54191343865717 32.065 > 25 67 S 0.34793037950769 0.97646748497766 0.54191343865717 32.065 > 25 68 S 0.84793037950769 0.97646748497766 0.54191343865717 32.065 > 25 69 S 0.15206962049231 0.47646748497766 0.95808656134283 32.065 > 29 70 S 0.65206962049231 0.47646748497766 0.95808656134283 32.065 > 29 71 S 0.15206962049231 0.97646748497766 0.95808656134283 32.065 > 29 72 S 0.65206962049231 0.97646748497766 0.95808656134283 32.065 > 29 73 S 0.34793037950769 0.02353251502234 0.04191343865717 32.065 > 33 74 S 0.84793037950769 0.02353251502234 0.04191343865717 32.065 > 33 75 S 0.34793037950769 0.52353251502234 0.04191343865717 32.065 > 33 76 S 0.84793037950769 0.52353251502234 0.04191343865717 32.065 > 33 77 S 0.15206962049231 0.02353251502234 0.45808656134283 32.065 > 37 78 S 0.65206962049231 0.02353251502234 0.45808656134283 32.065 > 37 79 S 0.15206962049231 0.52353251502234 0.45808656134283 32.065 > 37 80 S 0.65206962049231 0.52353251502234 0.45808656134283 32.065 > 37 81 Sn 0.04670278722553 0.07886237799789 0.44050710892399 118.710 > 81 82 Sn 0.54670278722553 0.07886237799789 0.44050710892399 118.710 > 81 83 Sn 0.04670278722553 0.57886237799789 0.44050710892399 118.710 > 81 84 Sn 0.54670278722553 0.57886237799789 0.44050710892399 118.710 > 81 85 Sn 0.45329721277447 0.07886237799789 0.05949289107601 118.710 > 85 86 Sn 0.95329721277447 0.07886237799789 0.05949289107601 118.710 > 85 87 Sn 0.45329721277447 0.57886237799789 0.05949289107601 118.710 > 85 88 Sn 0.95329721277447 0.57886237799789 0.05949289107601 118.710 > 85 89 Sn 0.45329721277447 0.42113762200211 0.55949289107601 118.710 > 89 90 Sn 0.95329721277447 0.42113762200211 0.55949289107601 118.710 > 89 91 Sn 0.45329721277447 0.92113762200211 0.55949289107601 118.710 > 89 92 Sn 0.95329721277447 0.92113762200211 0.55949289107601 118.710 > 89 93 Sn 0.04670278722553 0.42113762200211 0.94050710892399 118.710 > 93 94 Sn 0.54670278722553 0.42113762200211 0.94050710892399 118.710 > 93 95 Sn 0.04670278722553 0.92113762200211 0.94050710892399 118.710 > 93 96 Sn 0.54670278722553 0.92113762200211 0.94050710892399 118.710 > 93 97 Sn 0.29670278722553 0.32886237799789 0.44050710892399 118.710 > 81 98 Sn 0.79670278722553 0.32886237799789 0.44050710892399 118.710 > 81 99 Sn 0.29670278722553 0.82886237799789 0.44050710892399 118.710 > 81 100 Sn 0.79670278722553 0.82886237799789 0.44050710892399 118.710 > 81 101 Sn 0.20329721277447 0.32886237799789 0.05949289107601 118.710 > 85 102 Sn 0.70329721277447 0.32886237799789 0.05949289107601 118.710 > 85 103 Sn 0.20329721277447 0.82886237799789 0.05949289107601 118.710 > 85 104 Sn 0.70329721277447 0.82886237799789 0.05949289107601 118.710 > 85 105 Sn 0.20329721277447 0.17113762200211 0.55949289107601 118.710 > 89 106 Sn 0.70329721277447 0.17113762200211 0.55949289107601 118.710 > 89 107 Sn 0.20329721277447 0.67113762200211 0.55949289107601 118.710 > 89 108 Sn 0.70329721277447 0.67113762200211 0.55949289107601 118.710 > 89 109 Sn 0.29670278722553 0.17113762200211 0.94050710892399 118.710 > 93 110 Sn 0.79670278722553 0.17113762200211 0.94050710892399 118.710 > 93 111 Sn 0.29670278722553 0.67113762200211 0.94050710892399 118.710 > 93 112 Sn 0.79670278722553 0.67113762200211 0.94050710892399 118.710 > 93 113 Tl 0.38864848645341 0.33756833448433 0.18109113061538 204.383 > 113 114 Tl 0.88864848645341 0.33756833448433 0.18109113061538 204.383 > 113 115 Tl 0.38864848645341 0.83756833448433 0.18109113061538 204.383 > 113 116 Tl 0.88864848645341 0.83756833448433 0.18109113061538 204.383 > 113 117 Tl 0.11135151354659 0.33756833448433 0.31890886938462 204.383 > 117 118 Tl 0.61135151354659 0.33756833448433 0.31890886938462 204.383 > 117 119 Tl 0.11135151354659 0.83756833448433 0.31890886938462 204.383 > 117 120 Tl 0.61135151354659 0.83756833448433 0.31890886938462 204.383 > 117 121 Tl 0.11135151354659 0.16243166551567 0.81890886938462 204.383 > 121 122 Tl 0.61135151354659 0.16243166551567 0.81890886938462 204.383 > 121 123 Tl 0.11135151354659 0.66243166551567 0.81890886938462 204.383 > 121 124 Tl 0.61135151354659 0.66243166551567 0.81890886938462 204.383 > 121 125 Tl 0.38864848645341 0.16243166551567 0.68109113061538 204.383 > 125 126 Tl 0.88864848645341 0.16243166551567 0.68109113061538 204.383 > 125 127 Tl 0.38864848645341 0.66243166551567 0.68109113061538 204.383 > 125 128 Tl 0.88864848645341 0.66243166551567 0.68109113061538 204.383 > 125 129 Tl 0.13864848645341 0.08756833448433 0.18109113061538 204.383 > 113 130 Tl 0.63864848645341 0.08756833448433 0.18109113061538 204.383 > 113 131 Tl 0.13864848645341 0.58756833448433 0.18109113061538 204.383 > 113 132 Tl 0.63864848645341 0.58756833448433 0.18109113061538 204.383 > 113 133 Tl 0.36135151354659 0.08756833448433 0.31890886938462 204.383 > 117 134 Tl 0.86135151354659 0.08756833448433 0.31890886938462 204.383 > 117 135 Tl 0.36135151354659 0.58756833448433 0.31890886938462 204.383 > 117 136 Tl 0.86135151354659 0.58756833448433 0.31890886938462 204.383 > 117 137 Tl 0.36135151354659 0.41243166551567 0.81890886938462 204.383 > 121 138 Tl 0.86135151354659 0.41243166551567 0.81890886938462 204.383 > 121 139 Tl 0.36135151354659 0.91243166551567 0.81890886938462 204.383 > 121 140 Tl 0.86135151354659 0.91243166551567 0.81890886938462 204.383 > 121 141 Tl 0.13864848645341 0.41243166551567 0.68109113061538 204.383 > 125 142 Tl 0.63864848645341 0.41243166551567 0.68109113061538 204.383 > 125 143 Tl 0.13864848645341 0.91243166551567 0.68109113061538 204.383 > 125 144 Tl 0.63864848645341 0.91243166551567 0.68109113061538 204.383 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0471705 0.0000000 -0.2850772 0.0000000 8.2216966 0.0000000 -0.2850746 0.0000000 9.8902943 -------------------------- Born effective charges -------------------------- 1 S -1.7287654 0.0000000 -0.2224948 0.0000000 -2.0646587 0.0000000 -0.0308663 0.0000000 -2.8014788 2 S -1.7287654 0.0000000 -0.2224948 0.0000000 -2.0646587 0.0000000 -0.0308663 0.0000000 -2.8014788 3 S -2.4303139 -0.5456224 0.1931645 -0.4729590 -2.4105063 -0.3717643 0.1726501 -0.4581560 -2.2544924 4 S -2.4303139 0.5456224 0.1931645 0.4729590 -2.4105063 0.3717643 0.1726501 0.4581560 -2.2544924 5 S -2.4303139 -0.5456224 0.1931645 -0.4729590 -2.4105063 -0.3717643 0.1726501 -0.4581560 -2.2544924 6 S -2.4303139 0.5456224 0.1931645 0.4729590 -2.4105063 0.3717643 0.1726501 0.4581560 -2.2544924 7 S -2.3977533 -0.6921011 -0.2287572 -0.7228302 -2.5415105 -0.0464334 -0.1254045 0.0034594 -2.5895724 8 S -2.3977533 0.6921011 -0.2287572 0.7228302 -2.5415105 0.0464334 -0.1254045 -0.0034594 -2.5895724 9 S -2.3977533 0.6921011 -0.2287572 0.7228302 -2.5415105 0.0464334 -0.1254045 -0.0034594 -2.5895724 10 S -2.3977533 -0.6921011 -0.2287572 -0.7228302 -2.5415105 -0.0464334 -0.1254045 0.0034594 -2.5895724 11 Sn 3.8575381 1.1353711 0.2880415 0.9967151 3.9047907 0.2516691 0.1124555 -0.2326117 3.7025771 12 Sn 3.8575381 -1.1353711 0.2880415 -0.9967151 3.9047907 -0.2516691 0.1124555 0.2326117 3.7025771 13 Sn 3.8575381 1.1353711 0.2880415 0.9967151 3.9047907 0.2516691 0.1124555 -0.2326117 3.7025771 14 Sn 3.8575381 -1.1353711 0.2880415 -0.9967151 3.9047907 -0.2516691 0.1124555 0.2326117 3.7025771 15 Tl 1.8349117 0.2366300 -0.1412013 0.1554038 2.0795555 0.3616904 -0.1442680 0.1312896 2.5422271 16 Tl 1.8349117 -0.2366300 -0.1412013 -0.1554038 2.0795555 -0.3616904 -0.1442680 -0.1312896 2.5422271 17 Tl 1.8349117 0.2366300 -0.1412013 0.1554038 2.0795555 0.3616904 -0.1442680 0.1312896 2.5422271 18 Tl 1.8349117 -0.2366300 -0.1412013 -0.1554038 2.0795555 -0.3616904 -0.1442680 -0.1312896 2.5422271 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 9, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 2026-01-07 22:25:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:25:28]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.534293964266735 -3.810155234999999 0.000000000000000 b 5.534293964266735 3.810155234999999 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): 1 S 0.33142502507188 0.66857497492812 0.75000000000000 32.065 2 S 0.66857497492812 0.33142502507188 0.25000000000000 32.065 3 S 0.12477622467077 0.84609759251619 0.38063883293356 32.065 4 S 0.15390240748381 0.87522377532923 0.11936116706644 32.065 5 S 0.87522377532923 0.15390240748381 0.61936116706644 32.065 6 S 0.84609759251619 0.12477622467077 0.88063883293356 32.065 7 S 0.74292578906006 0.64879572897069 0.54191343865717 32.065 8 S 0.35120427102931 0.25707421093994 0.95808656134283 32.065 9 S 0.64879572897069 0.74292578906006 0.04191343865717 32.065 10 S 0.25707421093994 0.35120427102931 0.45808656134283 32.065 11 Sn 0.93568081845528 0.25113033044684 0.44050710892399 118.710 12 Sn 0.74886966955316 0.06431918154472 0.05949289107601 118.710 13 Sn 0.06431918154472 0.74886966955316 0.55949289107601 118.710 14 Sn 0.25113033044684 0.93568081845528 0.94050710892399 118.710 15 Tl 0.10216030393816 0.45243364187548 0.18109113061538 204.383 16 Tl 0.54756635812452 0.89783969606184 0.31890886938462 204.383 17 Tl 0.89783969606184 0.54756635812452 0.81890886938462 204.383 18 Tl 0.45243364187548 0.10216030393816 0.68109113061538 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.137175857066939 0.000000000000000 0.000000000000000 b 0.000000000000000 15.240620939999998 0.000000000000000 c -3.543730768409621 0.000000000000000 10.822472840880764 Atomic positions (fractional): 1 S 0.00000000000000 0.33428748746406 0.75000000000000 32.065 > 1 2 S 0.50000000000000 0.33428748746406 0.75000000000000 32.065 > 1 3 S 0.00000000000000 0.83428748746406 0.75000000000000 32.065 > 1 4 S 0.50000000000000 0.83428748746406 0.75000000000000 32.065 > 1 5 S 0.00000000000000 0.16571251253594 0.25000000000000 32.065 > 5 6 S 0.50000000000000 0.16571251253594 0.25000000000000 32.065 > 5 7 S 0.00000000000000 0.66571251253594 0.25000000000000 32.065 > 5 8 S 0.50000000000000 0.66571251253594 0.25000000000000 32.065 > 5 9 S 0.49271845429674 0.43033034196136 0.38063883293356 32.065 > 9 10 S 0.99271845429674 0.43033034196136 0.38063883293356 32.065 > 9 11 S 0.49271845429674 0.93033034196136 0.38063883293356 32.065 > 9 12 S 0.99271845429674 0.93033034196136 0.38063883293356 32.065 > 9 13 S 0.00728154570326 0.43033034196136 0.11936116706644 32.065 > 13 14 S 0.50728154570326 0.43033034196136 0.11936116706644 32.065 > 13 15 S 0.00728154570326 0.93033034196136 0.11936116706644 32.065 > 13 16 S 0.50728154570326 0.93033034196136 0.11936116706644 32.065 > 13 17 S 0.00728154570326 0.06966965803864 0.61936116706644 32.065 > 17 18 S 0.50728154570326 0.06966965803864 0.61936116706644 32.065 > 17 19 S 0.00728154570326 0.56966965803864 0.61936116706644 32.065 > 17 20 S 0.50728154570326 0.56966965803864 0.61936116706644 32.065 > 17 21 S 0.49271845429674 0.06966965803864 0.88063883293356 32.065 > 21 22 S 0.99271845429674 0.06966965803864 0.88063883293356 32.065 > 21 23 S 0.49271845429674 0.56966965803864 0.88063883293356 32.065 > 21 24 S 0.99271845429674 0.56966965803864 0.88063883293356 32.065 > 21 25 S 0.09793037950769 0.22646748497766 0.54191343865717 32.065 > 25 26 S 0.59793037950769 0.22646748497766 0.54191343865717 32.065 > 25 27 S 0.09793037950769 0.72646748497766 0.54191343865717 32.065 > 25 28 S 0.59793037950769 0.72646748497766 0.54191343865717 32.065 > 25 29 S 0.40206962049231 0.22646748497766 0.95808656134283 32.065 > 29 30 S 0.90206962049231 0.22646748497766 0.95808656134283 32.065 > 29 31 S 0.40206962049231 0.72646748497766 0.95808656134283 32.065 > 29 32 S 0.90206962049231 0.72646748497766 0.95808656134283 32.065 > 29 33 S 0.09793037950769 0.27353251502234 0.04191343865717 32.065 > 33 34 S 0.59793037950769 0.27353251502234 0.04191343865717 32.065 > 33 35 S 0.09793037950769 0.77353251502234 0.04191343865717 32.065 > 33 36 S 0.59793037950769 0.77353251502234 0.04191343865717 32.065 > 33 37 S 0.40206962049231 0.27353251502234 0.45808656134283 32.065 > 37 38 S 0.90206962049231 0.27353251502234 0.45808656134283 32.065 > 37 39 S 0.40206962049231 0.77353251502234 0.45808656134283 32.065 > 37 40 S 0.90206962049231 0.77353251502234 0.45808656134283 32.065 > 37 41 S 0.25000000000000 0.08428748746406 0.75000000000000 32.065 > 1 42 S 0.75000000000000 0.08428748746406 0.75000000000000 32.065 > 1 43 S 0.25000000000000 0.58428748746406 0.75000000000000 32.065 > 1 44 S 0.75000000000000 0.58428748746406 0.75000000000000 32.065 > 1 45 S 0.25000000000000 0.41571251253594 0.25000000000000 32.065 > 5 46 S 0.75000000000000 0.41571251253594 0.25000000000000 32.065 > 5 47 S 0.25000000000000 0.91571251253594 0.25000000000000 32.065 > 5 48 S 0.75000000000000 0.91571251253594 0.25000000000000 32.065 > 5 49 S 0.24271845429674 0.18033034196136 0.38063883293356 32.065 > 9 50 S 0.74271845429674 0.18033034196136 0.38063883293356 32.065 > 9 51 S 0.24271845429674 0.68033034196136 0.38063883293356 32.065 > 9 52 S 0.74271845429674 0.68033034196136 0.38063883293356 32.065 > 9 53 S 0.25728154570326 0.18033034196136 0.11936116706644 32.065 > 13 54 S 0.75728154570326 0.18033034196136 0.11936116706644 32.065 > 13 55 S 0.25728154570326 0.68033034196136 0.11936116706644 32.065 > 13 56 S 0.75728154570326 0.68033034196136 0.11936116706644 32.065 > 13 57 S 0.25728154570326 0.31966965803864 0.61936116706644 32.065 > 17 58 S 0.75728154570326 0.31966965803864 0.61936116706644 32.065 > 17 59 S 0.25728154570326 0.81966965803864 0.61936116706644 32.065 > 17 60 S 0.75728154570326 0.81966965803864 0.61936116706644 32.065 > 17 61 S 0.24271845429674 0.31966965803864 0.88063883293356 32.065 > 21 62 S 0.74271845429674 0.31966965803864 0.88063883293356 32.065 > 21 63 S 0.24271845429674 0.81966965803864 0.88063883293356 32.065 > 21 64 S 0.74271845429674 0.81966965803864 0.88063883293356 32.065 > 21 65 S 0.34793037950769 0.47646748497766 0.54191343865717 32.065 > 25 66 S 0.84793037950769 0.47646748497766 0.54191343865717 32.065 > 25 67 S 0.34793037950769 0.97646748497766 0.54191343865717 32.065 > 25 68 S 0.84793037950769 0.97646748497766 0.54191343865717 32.065 > 25 69 S 0.15206962049231 0.47646748497766 0.95808656134283 32.065 > 29 70 S 0.65206962049231 0.47646748497766 0.95808656134283 32.065 > 29 71 S 0.15206962049231 0.97646748497766 0.95808656134283 32.065 > 29 72 S 0.65206962049231 0.97646748497766 0.95808656134283 32.065 > 29 73 S 0.34793037950769 0.02353251502234 0.04191343865717 32.065 > 33 74 S 0.84793037950769 0.02353251502234 0.04191343865717 32.065 > 33 75 S 0.34793037950769 0.52353251502234 0.04191343865717 32.065 > 33 76 S 0.84793037950769 0.52353251502234 0.04191343865717 32.065 > 33 77 S 0.15206962049231 0.02353251502234 0.45808656134283 32.065 > 37 78 S 0.65206962049231 0.02353251502234 0.45808656134283 32.065 > 37 79 S 0.15206962049231 0.52353251502234 0.45808656134283 32.065 > 37 80 S 0.65206962049231 0.52353251502234 0.45808656134283 32.065 > 37 81 Sn 0.04670278722553 0.07886237799789 0.44050710892399 118.710 > 81 82 Sn 0.54670278722553 0.07886237799789 0.44050710892399 118.710 > 81 83 Sn 0.04670278722553 0.57886237799789 0.44050710892399 118.710 > 81 84 Sn 0.54670278722553 0.57886237799789 0.44050710892399 118.710 > 81 85 Sn 0.45329721277447 0.07886237799789 0.05949289107601 118.710 > 85 86 Sn 0.95329721277447 0.07886237799789 0.05949289107601 118.710 > 85 87 Sn 0.45329721277447 0.57886237799789 0.05949289107601 118.710 > 85 88 Sn 0.95329721277447 0.57886237799789 0.05949289107601 118.710 > 85 89 Sn 0.45329721277447 0.42113762200211 0.55949289107601 118.710 > 89 90 Sn 0.95329721277447 0.42113762200211 0.55949289107601 118.710 > 89 91 Sn 0.45329721277447 0.92113762200211 0.55949289107601 118.710 > 89 92 Sn 0.95329721277447 0.92113762200211 0.55949289107601 118.710 > 89 93 Sn 0.04670278722553 0.42113762200211 0.94050710892399 118.710 > 93 94 Sn 0.54670278722553 0.42113762200211 0.94050710892399 118.710 > 93 95 Sn 0.04670278722553 0.92113762200211 0.94050710892399 118.710 > 93 96 Sn 0.54670278722553 0.92113762200211 0.94050710892399 118.710 > 93 97 Sn 0.29670278722553 0.32886237799789 0.44050710892399 118.710 > 81 98 Sn 0.79670278722553 0.32886237799789 0.44050710892399 118.710 > 81 99 Sn 0.29670278722553 0.82886237799789 0.44050710892399 118.710 > 81 100 Sn 0.79670278722553 0.82886237799789 0.44050710892399 118.710 > 81 101 Sn 0.20329721277447 0.32886237799789 0.05949289107601 118.710 > 85 102 Sn 0.70329721277447 0.32886237799789 0.05949289107601 118.710 > 85 103 Sn 0.20329721277447 0.82886237799789 0.05949289107601 118.710 > 85 104 Sn 0.70329721277447 0.82886237799789 0.05949289107601 118.710 > 85 105 Sn 0.20329721277447 0.17113762200211 0.55949289107601 118.710 > 89 106 Sn 0.70329721277447 0.17113762200211 0.55949289107601 118.710 > 89 107 Sn 0.20329721277447 0.67113762200211 0.55949289107601 118.710 > 89 108 Sn 0.70329721277447 0.67113762200211 0.55949289107601 118.710 > 89 109 Sn 0.29670278722553 0.17113762200211 0.94050710892399 118.710 > 93 110 Sn 0.79670278722553 0.17113762200211 0.94050710892399 118.710 > 93 111 Sn 0.29670278722553 0.67113762200211 0.94050710892399 118.710 > 93 112 Sn 0.79670278722553 0.67113762200211 0.94050710892399 118.710 > 93 113 Tl 0.38864848645341 0.33756833448433 0.18109113061538 204.383 > 113 114 Tl 0.88864848645341 0.33756833448433 0.18109113061538 204.383 > 113 115 Tl 0.38864848645341 0.83756833448433 0.18109113061538 204.383 > 113 116 Tl 0.88864848645341 0.83756833448433 0.18109113061538 204.383 > 113 117 Tl 0.11135151354659 0.33756833448433 0.31890886938462 204.383 > 117 118 Tl 0.61135151354659 0.33756833448433 0.31890886938462 204.383 > 117 119 Tl 0.11135151354659 0.83756833448433 0.31890886938462 204.383 > 117 120 Tl 0.61135151354659 0.83756833448433 0.31890886938462 204.383 > 117 121 Tl 0.11135151354659 0.16243166551567 0.81890886938462 204.383 > 121 122 Tl 0.61135151354659 0.16243166551567 0.81890886938462 204.383 > 121 123 Tl 0.11135151354659 0.66243166551567 0.81890886938462 204.383 > 121 124 Tl 0.61135151354659 0.66243166551567 0.81890886938462 204.383 > 121 125 Tl 0.38864848645341 0.16243166551567 0.68109113061538 204.383 > 125 126 Tl 0.88864848645341 0.16243166551567 0.68109113061538 204.383 > 125 127 Tl 0.38864848645341 0.66243166551567 0.68109113061538 204.383 > 125 128 Tl 0.88864848645341 0.66243166551567 0.68109113061538 204.383 > 125 129 Tl 0.13864848645341 0.08756833448433 0.18109113061538 204.383 > 113 130 Tl 0.63864848645341 0.08756833448433 0.18109113061538 204.383 > 113 131 Tl 0.13864848645341 0.58756833448433 0.18109113061538 204.383 > 113 132 Tl 0.63864848645341 0.58756833448433 0.18109113061538 204.383 > 113 133 Tl 0.36135151354659 0.08756833448433 0.31890886938462 204.383 > 117 134 Tl 0.86135151354659 0.08756833448433 0.31890886938462 204.383 > 117 135 Tl 0.36135151354659 0.58756833448433 0.31890886938462 204.383 > 117 136 Tl 0.86135151354659 0.58756833448433 0.31890886938462 204.383 > 117 137 Tl 0.36135151354659 0.41243166551567 0.81890886938462 204.383 > 121 138 Tl 0.86135151354659 0.41243166551567 0.81890886938462 204.383 > 121 139 Tl 0.36135151354659 0.91243166551567 0.81890886938462 204.383 > 121 140 Tl 0.86135151354659 0.91243166551567 0.81890886938462 204.383 > 121 141 Tl 0.13864848645341 0.41243166551567 0.68109113061538 204.383 > 125 142 Tl 0.63864848645341 0.41243166551567 0.68109113061538 204.383 > 125 143 Tl 0.13864848645341 0.91243166551567 0.68109113061538 204.383 > 125 144 Tl 0.63864848645341 0.91243166551567 0.68109113061538 204.383 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0471705 0.0000000 -0.2850772 0.0000000 8.2216966 0.0000000 -0.2850746 0.0000000 9.8902943 -------------------------- Born effective charges -------------------------- 1 S -1.7287654 0.0000000 -0.2224948 0.0000000 -2.0646587 0.0000000 -0.0308663 0.0000000 -2.8014788 2 S -1.7287654 0.0000000 -0.2224948 0.0000000 -2.0646587 0.0000000 -0.0308663 0.0000000 -2.8014788 3 S -2.4303139 -0.5456224 0.1931645 -0.4729590 -2.4105063 -0.3717643 0.1726501 -0.4581560 -2.2544924 4 S -2.4303139 0.5456224 0.1931645 0.4729590 -2.4105063 0.3717643 0.1726501 0.4581560 -2.2544924 5 S -2.4303139 -0.5456224 0.1931645 -0.4729590 -2.4105063 -0.3717643 0.1726501 -0.4581560 -2.2544924 6 S -2.4303139 0.5456224 0.1931645 0.4729590 -2.4105063 0.3717643 0.1726501 0.4581560 -2.2544924 7 S -2.3977533 -0.6921011 -0.2287572 -0.7228302 -2.5415105 -0.0464334 -0.1254045 0.0034594 -2.5895724 8 S -2.3977533 0.6921011 -0.2287572 0.7228302 -2.5415105 0.0464334 -0.1254045 -0.0034594 -2.5895724 9 S -2.3977533 0.6921011 -0.2287572 0.7228302 -2.5415105 0.0464334 -0.1254045 -0.0034594 -2.5895724 10 S -2.3977533 -0.6921011 -0.2287572 -0.7228302 -2.5415105 -0.0464334 -0.1254045 0.0034594 -2.5895724 11 Sn 3.8575381 1.1353711 0.2880415 0.9967151 3.9047907 0.2516691 0.1124555 -0.2326117 3.7025771 12 Sn 3.8575381 -1.1353711 0.2880415 -0.9967151 3.9047907 -0.2516691 0.1124555 0.2326117 3.7025771 13 Sn 3.8575381 1.1353711 0.2880415 0.9967151 3.9047907 0.2516691 0.1124555 -0.2326117 3.7025771 14 Sn 3.8575381 -1.1353711 0.2880415 -0.9967151 3.9047907 -0.2516691 0.1124555 0.2326117 3.7025771 15 Tl 1.8349117 0.2366300 -0.1412013 0.1554038 2.0795555 0.3616904 -0.1442680 0.1312896 2.5422271 16 Tl 1.8349117 -0.2366300 -0.1412013 -0.1554038 2.0795555 -0.3616904 -0.1442680 -0.1312896 2.5422271 17 Tl 1.8349117 0.2366300 -0.1412013 0.1554038 2.0795555 0.3616904 -0.1442680 0.1312896 2.5422271 18 Tl 1.8349117 -0.2366300 -0.1412013 -0.1554038 2.0795555 -0.3616904 -0.1442680 -0.1312896 2.5422271 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 8 8 5 ] 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: 0.54, Number of G-points: 299, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 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 0.819 ( 0.000 0.000 0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.010 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.166 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 0.000) 0.000 1.362 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.155 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 9.863 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 2.596 -13.237 -0.109) 13.490 0.300 ( 9.111 -9.682 6.360) 14.738 0.564 ( 16.188 -17.220 4.467) 24.052 0.822 ( -0.117 -0.403 0.885) 0.980 0.943 ( -0.622 0.512 0.756) 1.105 0.984 ( -0.208 1.354 -3.757) 3.999 1.031 ( 0.788 1.071 2.921) 3.209 1.096 ( -0.057 -0.696 0.683) 0.977 1.145 ( -0.367 0.182 -2.292) 2.328 1.208 ( 0.579 -0.229 3.341) 3.399 1.368 ( 0.639 0.100 -5.537) 5.574 1.412 ( 1.347 -0.313 1.689) 2.184 1.425 ( 1.183 1.271 0.791) 1.908 1.666 ( -5.251 -5.241 -1.633) 7.597 1.843 ( -1.252 -3.466 -4.079) 5.497 1.904 ( 3.898 -0.173 -2.389) 4.575 1.963 ( -1.424 3.610 4.682) 6.081 2.017 ( -0.533 -0.381 -0.862) 1.083 2.201 ( -0.931 1.898 0.830) 2.271 2.636 ( -2.208 0.617 -1.158) 2.569 2.792 ( -2.023 -0.163 -3.947) 4.439 2.879 ( 1.161 -0.479 -3.331) 3.560 2.927 ( 0.781 -2.831 -0.711) 3.022 3.057 ( 1.958 0.490 -3.385) 3.941 3.099 ( 0.880 0.551 9.173) 9.231 3.602 ( -0.359 0.947 0.338) 1.068 3.941 ( 13.699 7.874 1.945) 15.920 3.986 ( 2.736 6.232 -0.098) 6.807 4.157 ( 1.600 -1.426 -1.553) 2.646 4.293 ( -1.107 2.437 11.536) 11.843 4.386 ( 0.682 0.987 0.783) 1.433 4.606 ( -2.462 0.581 -0.465) 2.572 4.646 ( 0.001 -0.562 0.998) 1.145 5.227 ( -7.135 -1.055 -2.751) 7.720 5.827 ( 6.654 -5.359 1.822) 8.735 6.109 ( 8.649 2.368 3.974) 9.809 6.627 ( 5.260 -4.080 -2.585) 7.141 7.062 ( -12.836 -10.564 -10.391) 19.604 7.643 ( 3.841 3.978 5.470) 7.778 7.946 ( -0.818 0.143 -0.738) 1.111 8.134 ( -1.026 0.058 0.238) 1.055 8.230 ( -14.642 -8.562 7.249) 18.446 8.442 ( -1.218 2.073 0.111) 2.407 8.739 ( -0.851 -0.430 0.503) 1.078 8.795 ( 1.403 0.460 -4.118) 4.375 9.279 ( -0.231 0.858 -0.966) 1.312 9.317 ( -0.731 1.485 8.939) 9.091 9.367 ( -1.707 1.441 1.111) 2.495 9.491 ( 10.154 7.866 -4.318) 13.550 9.579 ( 1.363 -0.760 0.386) 1.608 9.777 ( 0.733 0.800 -0.250) 1.113 9.867 ( 1.095 -0.536 -3.503) 3.709 9.992 ( -0.045 0.673 -5.576) 5.617 10.037 ( -2.407 -1.667 0.905) 3.065 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 2.974 -10.789 0.764) 11.218 0.552 ( 6.744 -7.435 3.598) 10.663 0.835 ( 1.875 -2.652 -2.548) 4.128 0.886 ( 2.046 -4.965 3.522) 6.422 0.908 ( -0.004 2.279 -0.566) 2.348 0.994 ( 1.283 -1.735 -2.186) 3.071 1.041 ( 1.788 0.223 1.377) 2.268 1.108 ( 0.147 -0.475 0.233) 0.549 1.159 ( 1.461 -1.694 1.995) 2.997 1.216 ( 0.034 0.683 1.947) 2.064 1.342 ( -1.083 0.931 -2.499) 2.879 1.431 ( 1.576 -0.030 0.855) 1.794 1.445 ( 2.508 -0.378 0.679) 2.625 1.667 ( -5.160 -2.128 2.858) 6.271 1.854 ( 0.297 0.638 -3.006) 3.087 1.900 ( -0.381 3.283 -0.830) 3.407 1.987 ( -2.238 -0.564 0.906) 2.479 2.024 ( 5.571 -3.683 -1.068) 6.763 2.172 ( 1.180 0.029 -0.714) 1.379 2.610 ( -0.543 -0.885 0.251) 1.068 2.754 ( -2.129 0.254 -3.226) 3.874 2.885 ( 0.270 -0.734 -3.090) 3.188 2.970 ( 0.685 -1.888 -3.226) 3.800 3.067 ( 1.741 -0.073 -0.158) 1.749 3.162 ( 4.057 -1.393 5.905) 7.298 3.585 ( -0.034 0.937 0.911) 1.308 3.923 ( 0.210 3.321 1.604) 3.694 3.976 ( 7.951 3.765 0.968) 8.851 4.184 ( -0.866 -1.798 -1.033) 2.247 4.251 ( -4.529 3.186 2.740) 6.178 4.376 ( 0.968 1.745 2.197) 2.968 4.566 ( -1.435 0.651 0.840) 1.785 4.674 ( -0.022 -2.258 0.959) 2.454 5.130 ( -2.779 4.522 -3.490) 6.353 6.013 ( 6.092 -6.144 2.644) 9.047 6.197 ( 2.752 -2.845 3.016) 4.976 6.795 ( 10.135 -6.568 -3.642) 12.615 7.049 ( -2.797 -1.988 -4.606) 5.743 7.641 ( 0.670 1.221 2.493) 2.855 7.927 ( -1.637 -0.213 -1.508) 2.236 8.116 ( 0.267 1.359 -0.899) 1.651 8.224 ( -6.798 -2.813 2.949) 7.926 8.379 ( -2.047 3.126 0.450) 3.763 8.735 ( -1.308 -0.224 0.576) 1.446 8.786 ( 0.557 0.535 -2.524) 2.640 9.254 ( -0.207 1.043 -2.056) 2.315 9.309 ( -1.822 1.416 5.469) 5.936 9.335 ( 0.298 1.338 1.426) 1.978 9.457 ( 1.145 3.198 0.369) 3.417 9.604 ( 0.070 -1.032 0.869) 1.351 9.767 ( 0.822 1.314 -0.764) 1.728 9.881 ( 1.988 -1.119 -5.550) 6.001 9.964 ( 1.024 1.670 -1.737) 2.618 10.034 ( -2.166 -0.605 1.891) 2.938 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.065 -2.979 0.481) 4.301 0.731 ( 3.253 -7.075 1.931) 8.023 0.874 ( 0.655 -1.189 -2.543) 2.883 0.909 ( 0.349 -2.195 1.585) 2.730 0.938 ( -0.161 -0.730 -0.135) 0.760 0.995 ( -0.174 0.657 -2.471) 2.563 1.064 ( 0.245 -0.039 1.901) 1.917 1.127 ( 1.526 -0.544 -0.367) 1.661 1.196 ( -0.919 -0.826 4.335) 4.508 1.211 ( 1.310 1.144 -1.259) 2.147 1.306 ( -1.096 0.669 -1.018) 1.639 1.467 ( 0.280 -2.343 1.240) 2.666 1.495 ( 3.242 -1.373 0.802) 3.611 1.640 ( -2.630 1.443 1.931) 3.568 1.814 ( -0.789 1.711 -2.308) 2.979 1.832 ( -0.131 3.503 -2.702) 4.426 1.977 ( -1.543 -1.069 2.766) 3.343 2.060 ( -0.837 1.200 0.922) 1.729 2.252 ( 2.955 -3.632 -3.934) 6.115 2.671 ( 2.136 -2.776 0.537) 3.543 2.718 ( -0.928 0.662 1.956) 2.264 2.895 ( 0.926 -1.337 -3.368) 3.740 2.981 ( 0.318 0.067 -1.616) 1.649 3.086 ( 0.859 -0.246 0.403) 0.980 3.296 ( 8.388 -5.084 1.257) 9.889 3.576 ( -0.736 0.651 1.102) 1.477 3.894 ( 0.265 1.606 2.130) 2.681 4.001 ( 4.590 2.259 0.555) 5.146 4.091 ( -10.258 4.533 -0.088) 11.215 4.197 ( -0.630 -0.892 -1.662) 1.988 4.373 ( 1.285 1.321 1.903) 2.649 4.566 ( 0.624 -0.086 1.516) 1.641 4.730 ( 0.122 -4.018 1.489) 4.287 4.999 ( -1.643 6.256 -4.004) 7.607 6.160 ( 3.195 -4.079 1.712) 5.457 6.266 ( 0.262 -2.046 1.876) 2.788 7.002 ( 8.064 -4.854 -1.929) 9.608 7.036 ( 1.236 -0.204 -2.562) 2.852 7.636 ( -0.326 0.350 1.157) 1.251 7.911 ( -1.752 -1.020 -1.749) 2.678 8.094 ( 0.332 1.373 -0.313) 1.447 8.186 ( -3.879 0.640 1.683) 4.277 8.313 ( -1.823 1.915 0.206) 2.652 8.722 ( -1.026 0.181 0.216) 1.064 8.775 ( 0.194 0.313 -1.293) 1.344 9.233 ( 0.089 0.308 -2.073) 2.097 9.282 ( -1.359 1.243 3.011) 3.530 9.333 ( 0.756 0.680 1.721) 1.999 9.418 ( -1.179 1.512 0.593) 2.007 9.622 ( 0.030 -0.709 0.873) 1.125 9.751 ( 0.439 0.993 -0.829) 1.366 9.905 ( 1.722 -1.495 -5.008) 5.502 9.947 ( 0.960 1.643 0.602) 1.996 10.025 ( -1.532 -0.224 1.636) 2.252 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 -0.000 -0.000) 0.000 0.843 ( 0.000 0.000 -0.000) 0.000 0.879 ( 0.000 -0.000 0.000) 0.000 0.926 ( 0.000 -0.000 0.000) 0.000 0.938 ( 0.000 -0.000 -0.000) 0.000 0.985 ( 0.000 -0.000 -0.000) 0.000 1.066 ( 0.000 -0.000 0.000) 0.000 1.136 ( 0.000 -0.000 0.000) 0.000 1.195 ( 0.000 -0.000 -0.000) 0.000 1.221 ( -0.000 -0.000 0.000) 0.000 1.292 ( 0.000 -0.000 0.000) 0.000 1.504 ( 0.000 -0.000 0.000) 0.000 1.540 ( 0.000 -0.000 0.000) 0.000 1.593 ( 0.000 -0.000 0.000) 0.000 1.786 ( 0.000 -0.000 0.000) 0.000 1.796 ( 0.000 -0.000 -0.000) 0.000 1.987 ( 0.000 -0.000 -0.000) 0.000 2.040 ( 0.000 -0.000 0.000) 0.000 2.285 ( 0.000 -0.000 -0.000) 0.000 2.678 ( 0.000 -0.000 0.000) 0.000 2.741 ( 0.000 -0.000 0.000) 0.000 2.913 ( 0.000 -0.000 0.000) 0.000 2.974 ( 0.000 -0.000 -0.000) 0.000 3.095 ( 0.000 -0.000 0.000) 0.000 3.465 ( -0.000 0.000 0.000) 0.000 3.531 ( 0.000 -0.000 0.000) 0.000 3.882 ( 0.000 -0.000 -0.000) 0.000 3.961 ( 0.000 -0.000 0.000) 0.000 4.013 ( 0.000 -0.000 0.000) 0.000 4.197 ( -0.000 -0.000 0.000) 0.000 4.373 ( 0.000 -0.000 0.000) 0.000 4.575 ( 0.000 -0.000 -0.000) 0.000 4.794 ( 0.000 -0.000 0.000) 0.000 4.900 ( 0.000 0.000 -0.000) 0.000 6.220 ( 0.000 -0.000 -0.000) 0.000 6.284 ( -0.000 -0.000 0.000) 0.000 7.025 ( 0.000 -0.000 0.000) 0.000 7.109 ( 0.000 -0.000 0.000) 0.000 7.633 ( 0.000 -0.000 0.000) 0.000 7.907 ( 0.000 -0.000 0.000) 0.000 8.081 ( 0.000 -0.000 0.000) 0.000 8.157 ( 0.000 -0.000 0.000) 0.000 8.286 ( 0.000 -0.000 0.000) 0.000 8.714 ( 0.000 -0.000 0.000) 0.000 8.771 ( 0.000 -0.000 -0.000) 0.000 9.229 ( 0.000 -0.000 0.000) 0.000 9.267 ( 0.000 -0.000 -0.000) 0.000 9.337 ( 0.000 -0.000 0.000) 0.000 9.397 ( 0.000 -0.000 -0.000) 0.000 9.631 ( 0.000 -0.000 0.000) 0.000 9.743 ( 0.000 -0.000 0.000) 0.000 9.923 ( 0.000 -0.000 -0.000) 0.000 9.936 ( -0.000 0.000 0.000) 0.000 10.021 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 14.833 0.000 1.190) 14.880 0.399 ( 13.595 0.000 2.431) 13.811 0.652 ( 21.161 0.000 12.970) 24.819 0.822 ( 0.507 0.000 -0.193) 0.543 0.931 ( -1.318 -0.000 0.593) 1.445 1.008 ( 0.357 0.000 0.682) 0.770 1.058 ( 2.636 0.000 -2.723) 3.790 1.088 ( -0.228 -0.000 1.980) 1.993 1.127 ( -0.126 -0.000 -0.642) 0.655 1.227 ( -0.048 -0.000 4.482) 4.482 1.338 ( -0.752 -0.000 -5.844) 5.892 1.437 ( -0.351 -0.000 2.468) 2.492 1.464 ( 2.862 0.000 -3.257) 4.336 1.545 ( -0.388 -0.000 0.488) 0.623 1.833 ( 5.138 0.000 -1.593) 5.379 1.938 ( 3.925 0.000 -1.409) 4.171 1.993 ( -0.631 -0.000 -1.820) 1.926 1.994 ( -2.495 -0.000 1.488) 2.905 2.202 ( -2.113 -0.000 1.153) 2.407 2.583 ( -4.642 -0.000 -2.821) 5.432 2.749 ( -1.610 -0.000 -5.937) 6.151 2.852 ( 1.043 0.000 -4.496) 4.616 2.943 ( 1.146 0.000 2.344) 2.610 3.069 ( 1.225 0.000 -2.445) 2.735 3.145 ( 1.507 0.000 8.982) 9.108 3.603 ( -1.112 -0.000 0.916) 1.440 4.003 ( 1.389 0.000 -0.315) 1.424 4.070 ( -3.127 -0.000 -0.556) 3.176 4.251 ( 7.528 0.000 -14.360) 16.214 4.388 ( -1.819 -0.000 1.105) 2.129 4.447 ( -6.741 -0.000 9.647) 11.769 4.602 ( 0.116 0.000 0.871) 0.879 4.663 ( -3.461 -0.000 11.886) 12.379 5.093 ( 0.757 0.000 0.998) 1.253 5.927 ( 14.569 0.000 3.754) 15.045 6.459 ( 4.399 0.000 -3.351) 5.530 6.568 ( 5.210 0.000 -6.791) 8.559 6.685 ( 7.603 0.000 -0.870) 7.653 7.797 ( 2.642 0.000 1.164) 2.887 7.931 ( -1.625 -0.000 -0.805) 1.813 7.971 ( -5.575 -0.000 14.747) 15.766 8.155 ( 0.269 0.000 -0.847) 0.889 8.438 ( -2.643 -0.000 0.099) 2.645 8.724 ( -1.641 -0.000 1.205) 2.036 8.796 ( 0.704 0.000 -3.731) 3.797 9.276 ( -0.693 -0.000 -1.432) 1.591 9.328 ( -1.870 -0.000 5.419) 5.733 9.362 ( -2.193 -0.000 0.012) 2.193 9.563 ( 0.562 0.000 0.595) 0.819 9.665 ( -5.263 -0.000 -3.994) 6.607 9.786 ( -0.971 -0.000 -0.943) 1.354 9.891 ( 2.830 0.000 -7.482) 8.000 9.909 ( 1.645 0.000 3.008) 3.429 10.027 ( 0.937 0.000 -2.488) 2.659 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 11.626 -0.810 1.575) 11.760 0.589 ( 10.030 -3.656 1.443) 10.772 0.836 ( 2.379 -0.292 0.012) 2.397 0.889 ( 7.273 0.055 6.551) 9.789 0.926 ( -1.396 0.068 0.668) 1.550 0.996 ( 2.482 1.090 -2.752) 3.863 1.075 ( 2.148 0.580 -0.219) 2.236 1.097 ( 0.080 -0.647 -0.187) 0.678 1.157 ( 1.248 -1.603 2.911) 3.549 1.239 ( 0.314 0.366 3.596) 3.628 1.315 ( -0.562 -0.060 -3.852) 3.893 1.449 ( 0.669 0.044 1.862) 1.979 1.490 ( 3.782 -0.780 -0.564) 3.902 1.584 ( -1.712 -3.333 2.098) 4.295 1.875 ( 3.564 0.778 -3.308) 4.924 1.920 ( -2.596 2.192 -0.756) 3.480 1.970 ( -1.170 0.506 -1.993) 2.366 2.025 ( 4.397 -1.814 0.186) 4.760 2.179 ( -0.460 0.187 0.479) 0.690 2.562 ( -0.704 -3.091 -0.597) 3.226 2.722 ( -0.209 -0.498 -5.094) 5.123 2.860 ( 0.793 -0.872 -3.089) 3.306 2.961 ( 0.871 -0.436 1.144) 1.502 3.075 ( 0.868 -0.260 -1.658) 1.889 3.207 ( 3.587 -0.853 5.778) 6.854 3.591 ( -1.208 0.290 1.249) 1.762 3.966 ( -1.135 3.092 0.445) 3.323 4.067 ( -1.464 -1.594 0.434) 2.208 4.244 ( 2.444 3.662 -7.558) 8.747 4.288 ( -1.071 7.527 0.134) 7.604 4.404 ( -2.274 -0.658 4.537) 5.117 4.601 ( 0.985 2.855 6.923) 7.553 4.650 ( -0.499 -0.090 3.525) 3.562 5.118 ( -1.560 -0.367 -1.765) 2.384 6.113 ( 15.043 0.946 3.998) 15.593 6.321 ( 9.055 9.035 0.364) 12.797 6.793 ( 11.332 -7.130 -7.081) 15.145 6.873 ( -0.222 -11.391 -3.490) 11.916 7.752 ( 3.539 6.436 4.055) 8.390 7.901 ( -2.240 0.342 -1.701) 2.833 8.060 ( -4.169 -7.086 4.264) 9.262 8.148 ( -0.038 0.643 -0.886) 1.096 8.388 ( -3.766 1.486 0.567) 4.089 8.712 ( -2.028 -0.495 1.358) 2.490 8.786 ( 0.143 0.233 -2.808) 2.822 9.255 ( -0.556 0.648 -2.662) 2.796 9.312 ( -2.576 0.914 3.033) 4.083 9.345 ( -1.091 -0.387 1.442) 1.849 9.527 ( -2.651 4.453 -1.149) 5.308 9.595 ( -0.155 -0.740 0.659) 1.003 9.770 ( -1.427 -0.186 -0.937) 1.717 9.886 ( 1.929 0.457 -3.548) 4.064 9.955 ( -1.332 -1.389 3.214) 3.746 10.028 ( 1.383 0.336 -2.426) 2.813 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 7.856 -4.310 2.504) 9.304 0.729 ( 6.074 -1.514 0.220) 6.264 0.852 ( 0.962 1.216 -2.733) 3.142 0.901 ( 0.915 -0.532 0.889) 1.382 0.949 ( 2.139 0.723 3.261) 3.966 0.994 ( 0.904 0.572 -4.187) 4.321 1.077 ( -0.402 0.747 1.954) 2.130 1.123 ( 1.513 -1.313 -1.593) 2.560 1.188 ( -0.381 -0.562 2.873) 2.952 1.244 ( 1.242 1.312 0.469) 1.867 1.304 ( 0.250 -0.050 -0.184) 0.315 1.461 ( 0.607 -0.164 1.793) 1.900 1.542 ( 4.339 0.458 0.096) 4.365 1.623 ( -1.066 -1.739 2.986) 3.616 1.831 ( -0.764 2.659 -3.703) 4.623 1.873 ( -0.835 2.850 -3.522) 4.607 1.950 ( -0.234 -1.169 -0.884) 1.485 2.050 ( -2.962 -0.011 1.978) 3.562 2.229 ( 3.995 -2.189 0.093) 4.556 2.650 ( 3.252 -2.914 -0.863) 4.451 2.725 ( 1.126 -0.682 1.402) 1.924 2.877 ( 1.686 -1.106 -2.083) 2.899 2.985 ( 0.901 -0.515 0.719) 1.262 3.079 ( 0.018 -0.422 -1.735) 1.786 3.312 ( 6.821 -3.875 1.340) 7.958 3.573 ( -2.028 0.632 1.099) 2.391 3.920 ( -1.252 1.493 1.820) 2.666 4.047 ( -6.049 2.518 1.157) 6.653 4.091 ( -5.107 3.562 -0.227) 6.231 4.237 ( 7.259 4.567 -6.856) 10.980 4.418 ( 0.114 0.143 3.031) 3.036 4.588 ( -1.933 1.102 6.534) 6.902 4.684 ( 2.228 -1.667 2.073) 3.470 5.052 ( -1.799 4.396 -3.607) 5.964 6.250 ( 12.300 2.434 1.993) 12.696 6.328 ( 8.057 3.787 0.732) 8.933 6.974 ( -0.362 -4.060 -2.469) 4.766 7.017 ( 9.544 -5.939 -4.853) 12.244 7.716 ( 3.738 4.930 4.068) 7.405 7.867 ( -1.880 -0.681 -2.303) 3.050 8.107 ( -2.100 -1.974 0.878) 3.013 8.130 ( -1.490 0.081 -0.562) 1.595 8.323 ( -3.104 1.598 1.217) 3.697 8.703 ( -1.995 -0.601 1.101) 2.356 8.774 ( -0.030 0.131 -1.913) 1.918 9.229 ( -0.007 0.482 -3.303) 3.338 9.283 ( -2.375 0.312 2.427) 3.410 9.345 ( -0.690 0.130 1.314) 1.490 9.432 ( -2.868 2.273 -0.616) 3.711 9.620 ( 0.930 -0.685 1.021) 1.541 9.752 ( -1.448 -0.097 -0.666) 1.597 9.885 ( -0.008 -0.495 -2.809) 2.853 9.960 ( -1.467 0.208 4.202) 4.456 10.031 ( 1.898 0.454 -2.213) 2.950 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.866 3.807 1.569) 4.208 0.823 ( 0.439 -4.822 0.582) 4.877 0.880 ( 4.191 -0.500 -3.683) 5.602 0.931 ( 2.018 -0.667 0.103) 2.127 0.953 ( 1.726 1.653 1.107) 2.634 0.978 ( 0.139 0.186 -2.386) 2.397 1.070 ( -0.492 0.043 1.385) 1.470 1.136 ( 0.136 0.245 -0.021) 0.281 1.194 ( -1.463 -0.469 -0.204) 1.550 1.230 ( 1.230 1.969 0.166) 2.328 1.319 ( 2.030 0.612 1.325) 2.500 1.501 ( 1.811 -2.357 1.953) 3.556 1.565 ( 1.992 1.737 -0.005) 2.644 1.616 ( -0.740 2.444 0.765) 2.666 1.782 ( -0.377 0.637 -3.194) 3.279 1.809 ( -0.197 1.521 -1.105) 1.891 1.968 ( 0.112 -1.674 -4.610) 4.906 2.027 ( -2.427 -0.513 3.006) 3.897 2.298 ( 2.836 -0.179 4.301) 5.155 2.681 ( 2.105 -0.236 -2.831) 3.536 2.750 ( 0.068 0.944 0.847) 1.271 2.914 ( 1.516 -0.733 -0.232) 1.700 2.990 ( -0.893 0.969 3.952) 4.166 3.078 ( -0.635 -0.567 -2.297) 2.450 3.448 ( -1.521 -0.195 -0.700) 1.685 3.528 ( 0.380 -0.543 -0.341) 0.745 3.856 ( -4.075 0.851 1.015) 4.285 3.972 ( 1.499 -0.208 0.213) 1.529 4.042 ( -0.956 1.112 1.803) 2.325 4.229 ( 5.294 2.155 -6.133) 8.383 4.409 ( 0.728 2.644 1.889) 3.330 4.569 ( -3.303 -0.166 3.728) 4.984 4.769 ( 2.444 -3.820 3.227) 5.566 4.931 ( -1.889 5.329 -3.212) 6.502 6.325 ( 10.280 4.954 -0.393) 11.418 6.352 ( 6.588 3.672 -0.192) 7.544 6.993 ( -1.942 -1.532 -1.322) 2.805 7.112 ( -0.161 0.732 -1.419) 1.605 7.702 ( 3.961 3.872 3.297) 6.446 7.888 ( 1.929 -2.793 -2.094) 3.989 8.092 ( -0.696 1.411 0.604) 1.685 8.122 ( -1.835 -2.075 -0.900) 2.913 8.291 ( -0.545 0.149 1.119) 1.253 8.700 ( -1.227 -0.987 0.770) 1.753 8.769 ( -0.047 -0.129 -0.768) 0.780 9.221 ( 0.478 -0.423 -2.546) 2.625 9.264 ( -1.543 0.054 1.053) 1.868 9.325 ( -2.024 0.491 -0.263) 2.099 9.395 ( -0.450 -0.210 -0.148) 0.518 9.637 ( 0.961 0.180 -0.099) 0.983 9.738 ( -1.069 -0.075 0.229) 1.096 9.882 ( -2.568 -1.703 -0.303) 3.097 9.950 ( -0.957 1.048 3.659) 3.924 10.038 ( 2.136 0.517 -2.177) 3.093 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -1.401 3.251 1.152) 3.723 0.836 ( 0.377 4.052 -2.225) 4.638 0.872 ( -0.360 0.155 0.239) 0.459 0.936 ( 0.519 1.198 -1.935) 2.334 0.961 ( -0.614 1.139 2.071) 2.442 1.005 ( 3.731 -0.692 -0.911) 3.903 1.062 ( -0.518 0.886 -0.523) 1.152 1.122 ( -1.004 0.735 -0.160) 1.255 1.186 ( -0.466 -0.691 0.310) 0.889 1.221 ( 2.180 1.371 -0.024) 2.575 1.323 ( 0.605 1.472 0.434) 1.649 1.514 ( -0.941 4.107 -0.662) 4.265 1.524 ( 0.867 4.045 -0.978) 4.251 1.617 ( 1.995 -3.967 0.670) 4.490 1.787 ( 0.159 -2.165 -0.623) 2.259 1.820 ( 1.632 -0.934 1.847) 2.636 1.978 ( 1.068 -1.304 -5.107) 5.377 2.031 ( -1.545 -1.501 1.055) 2.398 2.312 ( 0.250 4.273 6.877) 8.100 2.680 ( -3.746 3.726 -3.812) 6.515 2.720 ( 3.514 -1.365 -1.380) 4.014 2.913 ( -0.974 1.061 1.770) 2.282 2.987 ( -1.137 -0.283 5.010) 5.145 3.060 ( -1.901 -0.409 -2.964) 3.545 3.291 ( -7.095 5.759 -0.128) 9.139 3.563 ( -0.238 -0.537 -0.630) 0.861 3.862 ( 0.661 -1.137 -1.099) 1.714 3.958 ( -2.688 1.142 0.011) 2.920 4.122 ( 6.044 -4.453 1.521) 7.660 4.243 ( 5.585 1.049 -4.720) 7.387 4.370 ( -0.480 2.710 1.383) 3.080 4.551 ( -2.508 -0.806 1.645) 3.106 4.789 ( -0.570 4.736 -1.468) 4.991 4.917 ( 0.594 -6.273 2.987) 6.973 6.294 ( 6.830 9.758 -1.560) 12.012 6.354 ( 5.349 4.909 -1.655) 7.446 6.990 ( -4.201 0.504 -0.123) 4.232 7.000 ( -6.882 2.469 1.228) 7.414 7.698 ( 3.982 3.515 1.605) 5.549 7.944 ( 2.073 -0.418 0.051) 2.115 8.074 ( -0.611 -0.283 0.474) 0.823 8.170 ( 2.607 -4.070 -1.573) 5.083 8.305 ( 0.223 -1.220 0.663) 1.406 8.715 ( -0.067 -1.397 0.525) 1.493 8.771 ( -0.127 -0.327 0.293) 0.457 9.229 ( 0.123 -0.614 -0.407) 0.747 9.258 ( -0.450 -0.974 -2.023) 2.290 9.298 ( -1.991 -0.540 -0.810) 2.216 9.411 ( 1.076 -0.973 -0.534) 1.545 9.635 ( 0.566 0.809 -0.897) 1.334 9.732 ( -0.985 -0.359 0.853) 1.352 9.885 ( -3.828 -2.545 3.009) 5.494 9.932 ( -0.188 1.499 1.602) 2.202 10.046 ( 1.866 0.370 -1.868) 2.666 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -2.834 6.402 0.325) 7.009 0.743 ( 3.803 9.369 -0.899) 10.151 0.866 ( 0.012 -0.175 -1.174) 1.187 0.886 ( -1.273 3.033 0.489) 3.325 0.937 ( -0.591 2.317 0.720) 2.497 1.024 ( 0.546 1.508 1.556) 2.235 1.030 ( -0.104 1.293 -1.839) 2.251 1.112 ( 0.074 0.041 0.758) 0.763 1.188 ( -0.773 5.577 -0.588) 5.661 1.202 ( 0.388 -0.817 -0.684) 1.134 1.312 ( -0.769 -2.091 -0.526) 2.289 1.430 ( -1.308 3.350 -0.042) 3.596 1.471 ( 0.470 2.585 -0.736) 2.729 1.714 ( 4.188 -3.034 -1.385) 5.354 1.838 ( -0.159 -3.526 0.727) 3.603 1.860 ( 1.068 -0.560 2.220) 2.526 2.004 ( 0.605 -1.192 -1.419) 1.950 2.022 ( -2.190 1.682 -1.590) 3.186 2.190 ( -3.431 6.678 3.215) 8.167 2.601 ( -1.312 -0.580 -1.493) 2.071 2.782 ( 3.039 -1.114 0.820) 3.339 2.895 ( -0.777 0.664 0.774) 1.282 3.000 ( -1.770 -0.801 6.747) 7.021 3.041 ( -0.261 -0.562 -3.955) 4.003 3.146 ( -3.245 4.937 -1.980) 6.230 3.564 ( -0.362 -0.810 -0.079) 0.890 3.859 ( -1.577 0.662 -1.500) 2.275 3.923 ( -0.895 -0.284 -0.048) 0.940 4.221 ( 0.926 -2.509 -0.777) 2.786 4.262 ( 3.163 3.269 -1.573) 4.813 4.348 ( 0.201 -0.584 0.529) 0.813 4.569 ( 1.286 -1.961 0.666) 2.438 4.704 ( -1.401 3.316 -0.756) 3.678 5.055 ( 0.877 -7.634 2.194) 7.992 6.150 ( 1.989 12.996 -1.555) 13.239 6.286 ( 1.969 7.634 -1.733) 8.072 6.809 ( -6.987 5.838 1.662) 9.255 7.032 ( -0.700 -4.412 0.891) 4.555 7.678 ( 2.218 3.628 0.217) 4.258 7.955 ( 0.892 0.731 0.730) 1.365 8.089 ( -0.288 -1.645 0.483) 1.738 8.273 ( 4.586 -2.963 -1.611) 5.693 8.337 ( -0.678 -3.055 0.441) 3.160 8.739 ( 0.418 -0.872 0.138) 0.977 8.778 ( -0.287 -0.497 0.949) 1.109 9.242 ( -0.080 -1.017 0.493) 1.133 9.261 ( -1.138 -1.481 -3.241) 3.740 9.302 ( -0.093 -1.758 -0.557) 1.846 9.432 ( 0.490 -0.236 -0.520) 0.752 9.621 ( 0.247 1.091 -0.539) 1.242 9.735 ( -0.942 -1.109 0.732) 1.629 9.902 ( -3.169 -0.679 9.001) 9.567 9.914 ( 0.871 -0.777 -5.239) 5.367 10.054 ( 1.251 0.085 -1.104) 1.670 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 10.908 0.000) 10.908 0.585 ( 0.000 14.495 0.000) 14.495 0.751 ( 0.000 17.068 0.000) 17.068 0.835 ( 0.000 1.539 0.000) 1.539 0.916 ( -0.000 -2.168 -0.000) 2.168 0.994 ( 0.000 1.016 0.000) 1.016 1.009 ( 0.000 0.499 0.000) 0.499 1.104 ( 0.000 1.219 0.000) 1.219 1.130 ( -0.000 -1.335 -0.000) 1.335 1.208 ( 0.000 0.218 0.000) 0.218 1.356 ( -0.000 -2.556 -0.000) 2.556 1.393 ( 0.000 0.141 0.000) 0.141 1.435 ( 0.000 2.163 0.000) 2.163 1.772 ( 0.000 1.883 0.000) 1.883 1.868 ( -0.000 -0.839 -0.000) 0.839 1.897 ( 0.000 3.083 0.000) 3.083 1.899 ( -0.000 -2.709 -0.000) 2.709 2.031 ( -0.000 -0.058 -0.000) 0.058 2.164 ( -0.000 -2.256 -0.000) 2.256 2.623 ( -0.000 -1.954 -0.000) 1.954 2.816 ( -0.000 -0.261 -0.000) 0.261 2.875 ( 0.000 0.815 0.000) 0.815 3.019 ( 0.000 5.667 0.000) 5.667 3.038 ( -0.000 -2.038 -0.000) 2.038 3.047 ( -0.000 -0.449 -0.000) 0.449 3.583 ( -0.000 -1.485 -0.000) 1.485 3.816 ( 0.000 1.560 0.000) 1.560 3.941 ( -0.000 -1.991 -0.000) 1.991 4.207 ( 0.000 3.693 0.000) 3.693 4.258 ( -0.000 -1.535 -0.000) 1.535 4.365 ( -0.000 -0.990 -0.000) 0.990 4.621 ( -0.000 -1.775 -0.000) 1.775 4.647 ( 0.000 1.961 0.000) 1.961 5.191 ( -0.000 -7.232 -0.000) 7.232 5.939 ( 0.000 11.800 0.000) 11.800 6.153 ( 0.000 8.311 0.000) 8.311 6.680 ( 0.000 5.440 0.000) 5.440 7.121 ( -0.000 -5.521 -0.000) 5.521 7.633 ( 0.000 3.085 0.000) 3.085 7.952 ( 0.000 0.278 0.000) 0.278 8.117 ( -0.000 -1.626 -0.000) 1.626 8.333 ( -0.000 -1.385 -0.000) 1.385 8.398 ( -0.000 -3.953 -0.000) 3.953 8.749 ( 0.000 0.095 0.000) 0.095 8.786 ( -0.000 -0.482 -0.000) 0.482 9.259 ( -0.000 -1.241 -0.000) 1.241 9.268 ( -0.000 -1.051 -0.000) 1.051 9.341 ( -0.000 -2.764 -0.000) 2.764 9.423 ( 0.000 1.039 0.000) 1.039 9.599 ( 0.000 1.560 0.000) 1.560 9.754 ( -0.000 -1.464 -0.000) 1.464 9.885 ( 0.000 1.361 0.000) 1.361 9.955 ( -0.000 -3.190 -0.000) 3.190 10.061 ( -0.000 -0.007 -0.000) 0.007 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 3.061 0.000 -1.281) 3.318 0.657 ( 9.380 0.000 -0.556) 9.397 0.860 ( 3.159 0.000 -0.040) 3.160 0.911 ( -0.894 -0.000 1.082) 1.403 1.022 ( 3.586 0.000 3.737) 5.179 1.027 ( 0.740 0.000 -0.265) 0.787 1.098 ( 3.509 0.000 -4.813) 5.957 1.116 ( 1.168 0.000 3.405) 3.600 1.165 ( 1.892 0.000 3.754) 4.204 1.256 ( 0.440 0.000 4.448) 4.470 1.328 ( 3.274 0.000 -2.478) 4.106 1.448 ( 0.010 0.000 0.483) 0.483 1.518 ( 3.638 0.000 0.611) 3.689 1.559 ( 0.586 0.000 2.251) 2.326 1.892 ( 0.399 0.000 -5.906) 5.920 1.903 ( -3.115 -0.000 -2.362) 3.909 1.952 ( -1.336 -0.000 -2.638) 2.957 2.065 ( -0.299 -0.000 3.660) 3.672 2.201 ( 6.979 0.000 -0.199) 6.982 2.546 ( 4.485 0.000 2.124) 4.963 2.708 ( 2.167 0.000 -5.047) 5.493 2.859 ( 1.229 0.000 -0.484) 1.321 2.967 ( -0.088 -0.000 1.390) 1.392 3.073 ( 0.834 0.000 -2.833) 2.953 3.262 ( 4.336 0.000 3.590) 5.629 3.584 ( -1.210 -0.000 1.345) 1.809 3.998 ( -1.764 -0.000 0.018) 1.764 4.002 ( -2.924 -0.000 0.772) 3.024 4.254 ( -9.399 -0.000 -0.274) 9.403 4.306 ( -0.320 -0.000 -0.520) 0.611 4.365 ( 1.862 0.000 -9.311) 9.495 4.648 ( -5.455 -0.000 11.683) 12.894 4.709 ( 6.380 0.000 3.716) 7.384 5.105 ( -0.057 -0.000 -0.821) 0.823 6.323 ( 14.168 0.000 3.946) 14.708 6.609 ( 12.487 0.000 -2.468) 12.728 6.685 ( 7.644 0.000 -2.240) 7.966 6.866 ( 9.849 0.000 -5.671) 11.365 7.869 ( -2.704 -0.000 -2.440) 3.642 7.897 ( 4.864 0.000 1.949) 5.240 7.959 ( -2.080 -0.000 6.125) 6.469 8.154 ( 0.202 0.000 -1.118) 1.136 8.347 ( -5.530 -0.000 0.516) 5.554 8.688 ( -2.236 -0.000 1.488) 2.686 8.777 ( -0.319 -0.000 -2.438) 2.459 9.242 ( -0.754 -0.000 -2.850) 2.948 9.302 ( -2.729 -0.000 -0.204) 2.737 9.328 ( -0.674 -0.000 2.480) 2.570 9.498 ( -6.824 -0.000 -3.298) 7.579 9.597 ( 1.765 0.000 1.696) 2.448 9.742 ( -1.920 -0.000 -1.213) 2.271 9.883 ( -2.052 -0.000 2.318) 3.096 9.959 ( 1.089 0.000 1.914) 2.202 10.039 ( 1.913 0.000 -2.950) 3.516 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.078 -4.648 -1.746) 4.966 0.759 ( 5.959 -1.844 -1.320) 6.376 0.894 ( -0.250 1.478 0.956) 1.778 0.906 ( 2.310 -0.598 0.301) 2.405 1.010 ( 0.679 1.697 -2.414) 3.028 1.037 ( 1.371 1.189 2.260) 2.899 1.105 ( 0.706 2.757 1.223) 3.098 1.121 ( 2.296 -0.527 -2.784) 3.647 1.201 ( 1.071 0.293 4.120) 4.267 1.282 ( 1.109 0.709 2.348) 2.692 1.328 ( 2.987 1.667 -0.796) 3.512 1.465 ( -0.154 -0.933 0.661) 1.154 1.580 ( 2.291 -0.734 1.779) 2.992 1.597 ( 2.322 -2.373 1.144) 3.511 1.840 ( -2.216 1.769 -4.698) 5.488 1.867 ( -1.912 -0.484 -3.508) 4.024 1.914 ( -1.931 0.399 -4.752) 5.145 2.030 ( -4.772 0.771 4.095) 6.335 2.309 ( 11.118 1.293 2.403) 11.448 2.664 ( 7.021 -1.480 0.540) 7.195 2.738 ( 3.049 -1.326 1.819) 3.790 2.882 ( 2.033 -0.567 0.898) 2.294 2.984 ( 1.307 -1.192 0.279) 1.790 3.068 ( 0.329 0.013 -3.771) 3.785 3.338 ( 5.786 -1.947 0.090) 6.105 3.567 ( -1.923 0.884 0.945) 2.318 3.930 ( -3.892 2.348 1.549) 4.802 4.005 ( -4.164 -1.216 0.999) 4.451 4.080 ( -6.343 4.609 -1.201) 7.932 4.320 ( -4.372 -2.808 -2.164) 5.628 4.378 ( 6.055 -0.289 -7.565) 9.694 4.603 ( -5.298 2.294 10.894) 12.329 4.771 ( 5.817 2.576 3.818) 7.420 5.079 ( -0.973 2.248 -2.500) 3.500 6.434 ( 9.328 2.741 1.184) 9.794 6.598 ( 15.605 10.333 0.371) 18.720 6.895 ( 3.506 -5.192 -0.912) 6.331 7.012 ( 10.252 -6.027 -5.765) 13.216 7.827 ( -2.873 -0.070 -1.352) 3.176 7.873 ( 4.264 5.573 3.341) 7.771 8.029 ( -0.538 -3.566 0.756) 3.684 8.143 ( -0.098 1.006 -0.599) 1.175 8.289 ( -5.295 -0.642 1.503) 5.542 8.673 ( -2.148 -0.474 1.230) 2.521 8.765 ( -0.402 -0.093 -1.859) 1.904 9.222 ( -0.132 0.213 -3.520) 3.529 9.266 ( -2.317 0.392 0.100) 2.352 9.337 ( -0.742 -0.433 1.288) 1.548 9.403 ( -5.761 0.611 -1.464) 5.975 9.632 ( 2.172 -0.431 1.468) 2.656 9.721 ( -1.875 -0.539 -0.955) 2.172 9.862 ( -3.100 0.062 2.156) 3.776 9.973 ( 0.581 0.353 1.666) 1.799 10.050 ( 1.871 0.136 -2.112) 2.825 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -2.525 -5.125 -1.513) 5.910 0.805 ( 1.314 1.442 -0.433) 1.998 0.889 ( 1.932 -1.407 0.035) 2.390 0.945 ( 1.757 -0.293 0.978) 2.032 0.982 ( 0.671 1.302 -2.938) 3.283 1.042 ( 2.806 2.305 0.007) 3.631 1.065 ( -1.212 1.046 1.183) 1.991 1.139 ( 0.756 -0.234 -1.629) 1.811 1.206 ( 0.754 1.883 2.415) 3.154 1.273 ( 1.054 1.446 0.784) 1.954 1.359 ( 3.034 0.435 0.909) 3.197 1.488 ( 0.861 -1.914 1.124) 2.381 1.603 ( -0.185 0.279 2.742) 2.762 1.653 ( 2.651 0.414 -0.042) 2.683 1.770 ( -1.944 1.232 -4.950) 5.459 1.824 ( -0.606 1.644 -2.981) 3.458 1.900 ( -0.890 -2.888 -4.984) 5.829 1.991 ( -4.627 -0.858 4.275) 6.358 2.414 ( 10.337 2.765 5.370) 11.972 2.703 ( 2.854 0.706 -2.098) 3.612 2.786 ( 1.879 1.723 1.574) 2.996 2.922 ( 1.337 -0.547 1.794) 2.303 3.001 ( -1.427 0.819 1.979) 2.573 3.060 ( 0.166 0.100 -3.815) 3.819 3.438 ( 0.727 0.169 -1.257) 1.462 3.520 ( -0.217 -0.353 -0.371) 0.556 3.834 ( -4.149 0.817 1.839) 4.612 3.988 ( 0.807 0.452 0.073) 0.928 4.018 ( -2.209 -1.399 0.736) 2.717 4.302 ( 1.842 0.659 -6.093) 6.400 4.419 ( 0.220 -1.955 -2.215) 2.962 4.545 ( -4.744 2.340 8.261) 9.810 4.799 ( 3.894 1.498 3.274) 5.304 4.992 ( -1.271 5.214 -2.718) 6.015 6.484 ( 7.626 2.974 -0.399) 8.195 6.613 ( 15.004 9.806 -0.187) 17.925 6.948 ( -0.578 -1.005 -0.986) 1.521 7.117 ( -0.139 0.923 -2.006) 2.213 7.813 ( 0.515 1.109 4.137) 4.314 7.874 ( 4.829 0.061 -2.858) 5.611 8.062 ( -0.193 -2.282 -0.910) 2.464 8.115 ( -0.459 1.690 -0.009) 1.752 8.268 ( -3.081 -1.470 2.157) 4.038 8.667 ( -1.517 -1.089 0.788) 2.027 8.760 ( -0.235 -0.382 -0.978) 1.076 9.212 ( 0.711 -0.197 -3.143) 3.229 9.240 ( -1.895 -0.279 -0.834) 2.089 9.309 ( -3.246 0.797 0.702) 3.416 9.372 ( -1.141 -1.346 0.257) 1.783 9.657 ( 1.567 0.516 -0.280) 1.673 9.717 ( -0.733 -1.069 0.350) 1.342 9.830 ( -3.937 -0.314 2.095) 4.471 9.973 ( 0.297 0.893 1.230) 1.549 10.060 ( 1.487 0.311 -1.395) 2.062 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -1.563 1.252 0.030) 2.002 0.814 ( -0.026 -1.597 -0.831) 1.800 0.918 ( 0.769 2.105 0.360) 2.270 0.942 ( -0.253 0.524 -0.369) 0.689 0.960 ( -0.372 -0.045 -1.210) 1.267 1.049 ( 3.008 0.391 0.057) 3.034 1.064 ( -0.319 -0.404 0.114) 0.528 1.125 ( -0.606 1.344 -0.962) 1.760 1.190 ( 0.341 1.063 0.522) 1.233 1.265 ( 0.863 1.203 1.292) 1.966 1.367 ( 1.331 1.848 -0.024) 2.278 1.555 ( 1.682 -2.089 -0.166) 2.687 1.584 ( -0.351 1.097 2.454) 2.710 1.618 ( 0.496 5.368 -0.921) 5.469 1.743 ( -0.907 -1.957 -2.474) 3.282 1.827 ( 1.672 -1.456 0.245) 2.231 1.932 ( 1.250 -2.834 -4.754) 5.674 1.981 ( -3.847 -1.876 3.147) 5.313 2.477 ( 8.297 5.825 7.534) 12.631 2.698 ( -4.816 6.074 -3.476) 8.496 2.735 ( 3.390 -0.290 -3.136) 4.628 2.922 ( -1.303 1.006 1.054) 1.955 2.975 ( -2.435 -0.097 4.346) 4.982 3.025 ( -1.351 0.200 -3.778) 4.017 3.326 ( -3.364 5.360 0.525) 6.350 3.556 ( 0.505 -0.297 -0.318) 0.667 3.857 ( 1.887 -1.719 0.038) 2.553 3.953 ( -2.282 1.435 0.019) 2.696 4.094 ( 2.306 -4.540 0.799) 5.154 4.315 ( 6.690 0.830 -5.266) 8.554 4.430 ( -0.481 0.124 -0.182) 0.529 4.478 ( -6.061 0.362 4.952) 7.835 4.848 ( 1.902 -1.828 1.380) 2.978 4.876 ( -1.275 5.212 -0.865) 5.435 6.494 ( 4.764 4.591 -0.827) 6.668 6.586 ( 11.106 12.413 -1.098) 16.692 6.939 ( -1.878 -0.832 -0.227) 2.067 6.992 ( -7.813 5.533 0.382) 9.581 7.807 ( 2.569 3.495 2.111) 4.824 7.934 ( 1.301 -2.766 -1.930) 3.616 8.082 ( -0.532 1.507 1.179) 1.986 8.132 ( 4.109 -3.922 -1.384) 5.847 8.269 ( -2.878 -1.792 1.228) 3.606 8.684 ( -0.425 -1.964 0.403) 2.050 8.763 ( -0.102 -0.488 -0.179) 0.529 9.218 ( 0.602 -0.503 -1.728) 1.898 9.225 ( -1.302 -0.719 -1.489) 2.104 9.276 ( -1.574 0.038 1.013) 1.872 9.395 ( 0.182 -1.784 -0.036) 1.793 9.652 ( 0.379 0.859 -0.760) 1.208 9.728 ( 0.317 0.188 0.293) 0.471 9.814 ( -3.196 -2.126 2.101) 4.376 9.960 ( 0.114 1.344 0.633) 1.490 10.063 ( 0.851 0.398 -0.790) 1.228 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 4.145 0.000) 4.145 0.824 ( 0.000 0.518 0.000) 0.518 0.873 ( 0.000 1.950 0.000) 1.950 0.937 ( 0.000 2.559 0.000) 2.559 0.950 ( -0.000 -0.111 -0.000) 0.111 1.048 ( 0.000 1.921 0.000) 1.921 1.059 ( 0.000 0.885 0.000) 0.885 1.107 ( -0.000 -0.434 -0.000) 0.434 1.189 ( -0.000 -0.577 -0.000) 0.577 1.272 ( -0.000 -0.989 -0.000) 0.989 1.313 ( 0.000 5.954 0.000) 5.954 1.510 ( 0.000 6.644 0.000) 6.644 1.520 ( 0.000 3.296 0.000) 3.296 1.657 ( -0.000 -5.179 -0.000) 5.179 1.783 ( -0.000 -3.386 -0.000) 3.386 1.865 ( -0.000 -0.987 -0.000) 0.987 1.983 ( -0.000 -2.362 -0.000) 2.362 1.989 ( -0.000 -1.887 -0.000) 1.887 2.372 ( 0.000 14.882 0.000) 14.882 2.573 ( -0.000 -0.187 -0.000) 0.187 2.778 ( -0.000 -1.840 -0.000) 1.840 2.903 ( 0.000 0.699 0.000) 0.699 2.974 ( -0.000 -0.919 -0.000) 0.919 3.021 ( -0.000 -0.906 -0.000) 0.906 3.221 ( 0.000 5.701 0.000) 5.701 3.555 ( 0.000 0.029 0.000) 0.029 3.874 ( 0.000 1.092 0.000) 1.092 3.918 ( 0.000 0.612 0.000) 0.612 4.172 ( -0.000 -3.513 -0.000) 3.513 4.348 ( 0.000 0.082 0.000) 0.082 4.360 ( 0.000 5.648 0.000) 5.648 4.513 ( -0.000 -5.266 -0.000) 5.266 4.766 ( 0.000 5.433 0.000) 5.433 4.943 ( -0.000 -6.530 -0.000) 6.530 6.409 ( 0.000 14.134 0.000) 14.134 6.426 ( 0.000 8.461 0.000) 8.461 6.854 ( 0.000 4.892 0.000) 4.892 6.959 ( -0.000 -3.166 -0.000) 3.166 7.763 ( 0.000 4.247 0.000) 4.247 7.966 ( -0.000 -0.540 -0.000) 0.540 8.069 ( -0.000 -0.319 -0.000) 0.319 8.239 ( -0.000 -5.014 -0.000) 5.014 8.279 ( -0.000 -1.871 -0.000) 1.871 8.717 ( -0.000 -1.972 -0.000) 1.972 8.770 ( -0.000 -0.467 -0.000) 0.467 9.225 ( -0.000 -0.739 -0.000) 0.739 9.231 ( -0.000 -0.989 -0.000) 0.989 9.278 ( -0.000 -0.891 -0.000) 0.891 9.424 ( -0.000 -1.267 -0.000) 1.267 9.638 ( 0.000 0.921 0.000) 0.921 9.723 ( 0.000 0.097 0.000) 0.097 9.846 ( -0.000 -3.192 -0.000) 3.192 9.937 ( 0.000 1.608 0.000) 1.608 10.061 ( 0.000 0.215 0.000) 0.215 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -1.393 -0.000 -3.140) 3.435 0.798 ( 4.202 0.000 -1.009) 4.322 0.897 ( -1.162 -0.000 0.897) 1.468 0.940 ( 2.940 0.000 1.070) 3.129 1.024 ( -0.349 -0.000 -1.420) 1.462 1.038 ( -0.791 -0.000 0.560) 0.969 1.126 ( 2.091 0.000 -4.595) 5.049 1.141 ( -0.359 -0.000 1.212) 1.264 1.241 ( 1.601 0.000 5.187) 5.429 1.314 ( 1.543 0.000 1.992) 2.520 1.387 ( 2.180 0.000 -0.187) 2.188 1.440 ( -0.089 -0.000 -1.164) 1.167 1.587 ( 0.275 0.000 2.063) 2.081 1.629 ( 4.376 0.000 0.721) 4.435 1.797 ( -3.353 -0.000 -4.656) 5.738 1.827 ( -0.919 -0.000 -3.393) 3.515 1.888 ( -1.778 -0.000 -3.462) 3.892 1.983 ( -6.436 -0.000 3.539) 7.345 2.473 ( 12.130 0.000 0.891) 12.163 2.748 ( 0.156 0.000 2.419) 2.424 2.788 ( 10.908 0.000 6.020) 12.459 2.910 ( 2.312 0.000 3.396) 4.108 2.998 ( 4.672 0.000 -2.470) 5.285 3.054 ( -0.183 -0.000 -4.879) 4.882 3.383 ( 6.163 0.000 -2.298) 6.578 3.556 ( -2.391 -0.000 0.195) 2.399 3.883 ( -10.944 -0.000 1.614) 11.062 3.958 ( -1.046 -0.000 1.062) 1.490 4.067 ( -3.775 -0.000 -0.603) 3.823 4.184 ( -6.715 -0.000 -0.555) 6.738 4.436 ( 8.003 0.000 -11.211) 13.774 4.601 ( -6.266 -0.000 11.847) 13.402 4.869 ( 4.483 0.000 3.301) 5.567 5.081 ( -0.668 -0.000 -2.227) 2.325 6.541 ( 5.341 0.000 0.167) 5.344 6.849 ( 6.018 0.000 2.258) 6.428 6.969 ( 15.683 0.000 1.781) 15.784 7.015 ( 7.175 0.000 -7.806) 10.603 7.784 ( -2.963 -0.000 -1.863) 3.500 7.968 ( -0.376 -0.000 3.208) 3.230 8.015 ( 3.892 0.000 -0.848) 3.983 8.147 ( -1.015 -0.000 1.142) 1.528 8.216 ( -5.179 -0.000 1.285) 5.336 8.652 ( -1.632 -0.000 0.948) 1.887 8.752 ( -0.471 -0.000 -1.399) 1.476 9.210 ( -0.045 -0.000 -2.848) 2.849 9.241 ( -1.738 -0.000 -2.666) 3.182 9.332 ( -6.156 -0.000 0.577) 6.183 9.333 ( -0.067 -0.000 1.080) 1.082 9.664 ( 3.025 0.000 1.505) 3.379 9.694 ( -1.394 -0.000 -0.964) 1.695 9.833 ( -3.750 -0.000 2.281) 4.389 9.988 ( 0.585 0.000 0.830) 1.016 10.063 ( 1.360 0.000 -1.258) 1.853 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -1.413 -4.661 -1.855) 5.212 0.835 ( 2.060 0.408 -0.827) 2.257 0.883 ( -0.777 -0.361 0.780) 1.159 0.969 ( 1.317 0.470 1.398) 1.977 1.002 ( 0.399 0.917 -1.789) 2.050 1.038 ( -0.717 -0.672 0.098) 0.988 1.115 ( 0.240 2.389 -0.940) 2.578 1.137 ( 0.488 -0.295 -0.745) 0.938 1.263 ( 0.801 1.961 3.876) 4.417 1.306 ( 0.629 1.316 -1.178) 1.875 1.408 ( 2.585 0.637 1.125) 2.891 1.457 ( -0.252 -2.254 -0.357) 2.295 1.602 ( -0.201 -0.614 1.716) 1.833 1.675 ( 1.673 -0.676 0.049) 1.805 1.746 ( -1.880 0.619 -3.190) 3.755 1.827 ( 0.450 0.328 -2.745) 2.801 1.854 ( 0.887 -0.570 -3.213) 3.381 1.929 ( -6.035 -0.725 3.926) 7.236 2.589 ( 10.258 1.134 -0.193) 10.322 2.728 ( -3.390 0.979 4.094) 5.405 2.886 ( 7.189 3.152 2.745) 8.316 2.949 ( 1.882 0.461 3.533) 4.030 3.008 ( -0.507 1.612 -3.418) 3.813 3.056 ( 0.923 0.613 -2.839) 3.048 3.461 ( 3.453 0.645 -2.539) 4.334 3.510 ( -0.419 -0.197 -0.219) 0.512 3.769 ( -7.741 -2.155 1.673) 8.207 3.978 ( 0.599 -1.959 1.330) 2.442 4.011 ( -0.989 2.271 -0.521) 2.531 4.179 ( -4.985 -6.283 -1.028) 8.086 4.462 ( 5.805 2.482 -8.670) 10.725 4.561 ( -4.854 1.301 9.416) 10.673 4.891 ( 2.288 2.941 2.061) 4.258 5.043 ( -0.518 2.968 -1.692) 3.455 6.579 ( 3.387 0.931 -0.201) 3.518 6.896 ( 6.393 3.240 2.995) 7.768 6.979 ( 5.785 5.465 -4.310) 9.050 7.131 ( 1.405 1.125 -0.378) 1.839 7.782 ( -0.209 -3.527 -0.100) 3.535 7.939 ( -0.376 3.217 0.335) 3.256 8.049 ( 2.502 -1.480 -1.741) 3.388 8.133 ( -0.972 0.781 1.499) 1.950 8.203 ( -2.699 -1.840 1.682) 3.674 8.643 ( -0.837 -0.451 0.474) 1.063 8.747 ( -0.237 -0.370 -0.665) 0.797 9.204 ( 0.010 -0.302 -1.246) 1.282 9.214 ( -0.645 -0.061 -3.430) 3.490 9.280 ( -3.384 0.023 1.968) 3.915 9.344 ( -0.223 -0.954 0.464) 1.084 9.675 ( -0.267 0.444 -0.575) 0.774 9.711 ( 2.781 -0.706 0.681) 2.949 9.794 ( -3.876 0.260 1.414) 4.134 9.991 ( 0.288 0.492 0.414) 0.704 10.071 ( 0.729 0.070 -0.587) 0.939 ======================= Grid point 30 (20/93) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -0.000 -4.642 -0.000) 4.642 0.818 ( 0.000 1.577 0.000) 1.577 0.908 ( -0.000 -1.946 -0.000) 1.946 0.960 ( 0.000 0.823 0.000) 0.823 0.987 ( 0.000 2.379 0.000) 2.379 1.046 ( -0.000 -1.007 -0.000) 1.007 1.077 ( 0.000 1.568 0.000) 1.568 1.139 ( 0.000 0.488 0.000) 0.488 1.226 ( 0.000 2.764 0.000) 2.764 1.294 ( 0.000 1.214 0.000) 1.214 1.403 ( 0.000 1.503 0.000) 1.503 1.511 ( -0.000 -3.539 -0.000) 3.539 1.607 ( 0.000 0.545 0.000) 0.545 1.687 ( 0.000 0.541 0.000) 0.541 1.711 ( 0.000 1.493 0.000) 1.493 1.813 ( -0.000 -0.669 -0.000) 0.669 1.900 ( -0.000 -1.504 -0.000) 1.504 1.916 ( -0.000 -2.896 -0.000) 2.896 2.636 ( 0.000 3.111 0.000) 3.111 2.701 ( -0.000 -0.810 -0.000) 0.810 2.841 ( 0.000 9.845 0.000) 9.845 2.933 ( 0.000 1.486 0.000) 1.486 2.978 ( 0.000 0.792 0.000) 0.792 3.013 ( 0.000 0.799 0.000) 0.799 3.388 ( 0.000 4.549 0.000) 4.549 3.553 ( -0.000 -0.861 -0.000) 0.861 3.815 ( -0.000 -4.969 -0.000) 4.969 3.966 ( 0.000 1.996 0.000) 1.996 4.040 ( -0.000 -3.878 -0.000) 3.878 4.269 ( -0.000 -8.367 -0.000) 8.367 4.416 ( 0.000 4.078 0.000) 4.078 4.524 ( 0.000 2.729 0.000) 2.729 4.860 ( 0.000 2.000 0.000) 2.000 4.965 ( 0.000 5.475 0.000) 5.475 6.577 ( 0.000 2.231 0.000) 2.231 6.871 ( 0.000 11.108 0.000) 11.108 6.924 ( 0.000 0.499 0.000) 0.499 7.032 ( 0.000 6.211 0.000) 6.211 7.868 ( -0.000 -4.951 -0.000) 4.951 7.881 ( 0.000 3.121 0.000) 3.121 8.109 ( 0.000 -1.393 0.000) 1.393 8.109 ( 0.000 0.142 0.000) 0.142 8.212 ( -0.000 -1.870 -0.000) 1.870 8.654 ( -0.000 -1.315 -0.000) 1.315 8.753 ( -0.000 -0.592 -0.000) 0.592 9.205 ( -0.000 -0.443 -0.000) 0.443 9.212 ( -0.000 -0.358 -0.000) 0.358 9.267 ( -0.000 -0.125 -0.000) 0.125 9.365 ( -0.000 -1.679 -0.000) 1.679 9.664 ( 0.000 0.596 0.000) 0.596 9.749 ( 0.000 0.993 0.000) 0.993 9.762 ( -0.000 -1.699 -0.000) 1.699 9.981 ( 0.000 0.980 0.000) 0.980 10.072 ( 0.000 0.265 0.000) 0.265 ======================= Grid point 38 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 0.000 -0.000) 0.000 0.860 ( 0.000 0.000 -0.000) 0.000 0.866 ( -0.000 -0.000 0.000) 0.000 0.991 ( 0.000 0.000 -0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.134 ( -0.000 -0.000 0.000) 0.000 1.135 ( 0.000 0.000 -0.000) 0.000 1.308 ( -0.000 -0.000 -0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.415 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 -0.000) 0.000 1.680 ( 0.000 0.000 -0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 -0.000) 0.000 1.887 ( -0.000 -0.000 0.000) 0.000 2.676 ( -0.000 -0.000 0.000) 0.000 2.695 ( 0.000 0.000 -0.000) 0.000 2.968 ( -0.000 -0.000 -0.000) 0.000 2.980 ( -0.000 -0.000 -0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 -0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 -0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 -0.000) 0.000 4.552 ( -0.000 -0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 -0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 -0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.184 ( 0.000 0.000 0.000) 0.000 7.737 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 -0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 -0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 -0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.736 ( -0.000 -0.000 0.000) 0.000 9.767 ( 0.000 0.000 -0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 67 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( 0.416 0.000 13.117) 13.124 0.290 ( -0.003 -0.000 14.932) 14.932 0.642 ( -0.480 -0.000 30.944) 30.948 0.833 ( -0.853 -0.000 1.110) 1.400 0.916 ( 3.987 0.000 -7.674) 8.648 0.964 ( -1.701 -0.000 2.055) 2.668 0.989 ( 0.717 0.000 -2.767) 2.859 1.119 ( 0.328 0.000 -0.575) 0.662 1.152 ( -1.618 -0.000 3.573) 3.922 1.245 ( 2.077 0.000 2.896) 3.564 1.362 ( -2.340 -0.000 -2.842) 3.681 1.414 ( 3.109 0.000 -0.119) 3.111 1.492 ( -8.219 -0.000 3.198) 8.819 1.569 ( 0.064 0.000 0.571) 0.574 1.728 ( 0.182 0.000 -3.753) 3.757 1.835 ( 1.034 0.000 -6.149) 6.235 2.046 ( -2.800 -0.000 3.703) 4.643 2.073 ( -2.561 -0.000 -2.179) 3.363 2.247 ( 1.421 0.000 1.034) 1.758 2.632 ( -2.535 -0.000 -6.331) 6.820 2.769 ( -0.286 -0.000 -7.023) 7.029 2.800 ( -4.282 -0.000 -1.302) 4.476 2.922 ( 1.648 0.000 3.850) 4.188 3.009 ( 2.273 0.000 0.698) 2.378 3.226 ( 1.181 0.000 8.197) 8.282 3.596 ( 2.246 0.000 -2.286) 3.204 3.826 ( 5.896 0.000 1.616) 6.113 3.960 ( 0.333 0.000 -1.589) 1.624 4.149 ( -1.425 -0.000 2.606) 2.971 4.384 ( 1.670 0.000 -0.639) 1.788 4.589 ( 0.572 0.000 -3.113) 3.165 4.618 ( -1.230 -0.000 -2.876) 3.128 5.085 ( 1.394 0.000 0.714) 1.566 5.100 ( -8.707 -0.000 0.350) 8.714 5.801 ( 0.846 0.000 7.506) 7.554 6.096 ( 19.006 0.000 4.821) 19.608 6.399 ( -2.350 -0.000 -2.767) 3.630 6.479 ( -0.306 -0.000 -9.191) 9.196 7.734 ( 13.763 0.000 -0.054) 13.763 7.752 ( 1.147 0.000 -1.061) 1.562 7.967 ( 1.046 0.000 1.739) 2.029 8.136 ( -0.137 -0.000 -2.002) 2.007 8.492 ( -0.795 -0.000 2.628) 2.746 8.710 ( 0.352 0.000 -2.954) 2.975 8.949 ( -2.761 -0.000 3.556) 4.502 9.235 ( 0.812 0.000 -4.648) 4.718 9.383 ( 7.919 0.000 3.809) 8.788 9.431 ( -1.477 -0.000 3.222) 3.545 9.552 ( -0.042 -0.000 -0.401) 0.404 9.706 ( -3.164 -0.000 -5.325) 6.195 9.793 ( 0.286 0.000 0.914) 0.957 9.910 ( -11.260 -0.000 -2.134) 11.460 9.917 ( 1.573 0.000 3.824) 4.135 10.028 ( -3.293 -0.000 -0.097) 3.294 ======================= Grid point 68 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 3.462 -6.153 10.262) 12.456 0.489 ( 3.509 -8.844 9.587) 13.507 0.756 ( 4.059 0.873 7.130) 8.250 0.881 ( 2.586 3.387 -5.733) 7.144 0.911 ( 0.650 -5.533 6.612) 8.646 0.966 ( -1.045 -0.990 6.162) 6.328 1.024 ( 0.909 -2.053 -2.694) 3.506 1.121 ( 0.068 0.766 1.807) 1.963 1.166 ( 1.008 -1.872 4.138) 4.653 1.254 ( 0.306 1.763 0.989) 2.045 1.316 ( -2.292 -0.717 -2.166) 3.234 1.426 ( 2.162 1.741 0.946) 2.932 1.478 ( -0.702 -0.947 4.628) 4.776 1.623 ( -0.073 -5.667 -1.372) 5.831 1.764 ( 2.785 -2.510 -4.178) 5.614 1.829 ( 3.304 0.562 -6.032) 6.901 1.999 ( -3.221 2.343 1.201) 4.160 2.035 ( -3.310 -1.080 2.374) 4.214 2.235 ( -0.323 1.871 1.487) 2.412 2.579 ( -2.744 -1.392 -7.443) 8.054 2.746 ( -3.094 -0.302 -1.351) 3.389 2.771 ( 0.269 -1.474 -4.048) 4.317 2.948 ( 1.263 0.945 2.128) 2.648 3.038 ( 2.096 -0.517 0.403) 2.196 3.248 ( 0.243 1.461 7.042) 7.196 3.587 ( 1.253 1.434 -2.478) 3.125 3.909 ( 8.740 1.810 -1.628) 9.073 3.960 ( 1.124 0.816 -1.196) 1.833 4.156 ( -1.745 -1.716 1.976) 3.146 4.395 ( 1.616 1.002 0.260) 1.919 4.516 ( -6.653 5.018 -0.380) 8.342 4.601 ( -0.095 -1.486 -1.478) 2.098 4.752 ( 1.244 12.702 13.288) 18.425 5.149 ( -3.745 1.449 -5.056) 6.456 5.927 ( 6.440 -4.841 8.652) 11.822 6.197 ( 4.542 0.176 5.278) 6.965 6.498 ( 4.754 -5.345 -10.532) 12.732 6.734 ( 3.629 -17.752 -17.052) 24.881 7.710 ( 2.177 3.378 1.531) 4.300 7.907 ( 0.975 -3.058 -5.140) 6.059 8.038 ( 6.774 -3.701 -5.276) 9.350 8.122 ( 0.567 0.381 -3.247) 3.319 8.477 ( -1.896 1.269 3.200) 3.930 8.703 ( 0.111 -0.210 -3.208) 3.217 8.897 ( -5.402 1.814 6.799) 8.871 9.217 ( 0.161 0.657 -4.770) 4.818 9.403 ( -1.989 1.571 2.699) 3.703 9.462 ( 0.099 -0.240 4.177) 4.185 9.512 ( 0.593 5.073 1.573) 5.345 9.618 ( -1.558 1.176 0.845) 2.127 9.748 ( -0.041 2.821 -2.222) 3.591 9.787 ( -0.063 0.952 0.479) 1.068 9.989 ( -2.542 -1.243 1.187) 3.068 10.049 ( 0.101 -3.046 0.602) 3.107 ======================= Grid point 69 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 3.909 -7.528 6.873) 10.917 0.656 ( 0.917 -5.706 4.917) 7.588 0.804 ( 2.562 0.247 0.603) 2.643 0.848 ( 2.829 0.880 -4.628) 5.495 0.962 ( -1.301 -1.670 -0.794) 2.261 0.985 ( -1.282 0.342 4.162) 4.368 1.075 ( 2.075 -2.569 0.961) 3.439 1.108 ( -0.185 1.216 0.824) 1.481 1.214 ( -1.030 0.680 -0.626) 1.384 1.246 ( 0.827 -0.899 4.882) 5.033 1.309 ( -1.135 -1.388 -1.965) 2.660 1.447 ( 3.614 0.556 1.981) 4.159 1.499 ( -0.589 -0.570 4.078) 4.160 1.685 ( -1.813 -2.711 -0.662) 3.328 1.789 ( 1.065 0.483 -4.265) 4.422 1.818 ( 0.241 2.454 -5.824) 6.325 2.010 ( -3.527 -1.463 1.533) 4.114 2.055 ( 5.382 -4.067 6.358) 9.270 2.205 ( -0.221 1.403 2.471) 2.850 2.586 ( 1.015 -3.404 -5.409) 6.471 2.736 ( -1.353 -2.575 1.295) 3.184 2.792 ( 1.566 -1.428 -4.354) 4.843 2.931 ( 0.355 2.134 -0.746) 2.288 3.079 ( 1.924 -1.172 0.433) 2.294 3.254 ( 1.580 0.927 4.359) 4.728 3.571 ( 1.792 1.284 -2.726) 3.506 3.933 ( 2.113 1.995 -0.845) 3.026 3.970 ( 4.669 1.208 -0.386) 4.838 4.172 ( -2.416 -2.224 1.122) 3.470 4.326 ( -10.123 5.198 2.663) 11.687 4.401 ( 2.202 2.400 -0.577) 3.308 4.645 ( 1.722 -2.152 3.110) 4.156 4.683 ( 1.358 3.979 4.830) 6.404 5.026 ( -1.488 6.047 -7.413) 9.681 6.099 ( 3.881 -4.466 5.894) 8.352 6.268 ( -0.698 -3.294 4.095) 5.301 6.683 ( 11.901 -9.098 -7.124) 16.588 6.894 ( 2.642 -5.915 -9.976) 11.895 7.688 ( 0.662 2.139 1.606) 2.755 7.908 ( -1.854 -0.427 -0.343) 1.934 8.083 ( 1.591 1.064 -2.348) 3.030 8.146 ( 1.557 -2.811 -7.322) 7.996 8.431 ( -3.072 2.595 4.287) 5.878 8.695 ( 0.416 0.048 -3.520) 3.545 8.843 ( -3.928 1.154 6.296) 7.510 9.188 ( -0.085 0.583 -4.674) 4.711 9.366 ( -1.570 1.627 1.924) 2.969 9.409 ( -3.651 2.033 3.565) 5.493 9.477 ( -0.965 2.600 0.487) 2.815 9.618 ( -0.061 -0.905 -0.076) 0.911 9.741 ( 5.583 1.806 -2.774) 6.490 9.773 ( 0.364 0.327 -0.845) 0.976 9.980 ( -1.224 0.006 1.154) 1.683 10.082 ( -1.227 -1.258 2.808) 3.313 ======================= Grid point 70 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 3.192 -0.097 4.981) 5.916 0.779 ( 1.263 -6.166 1.815) 6.550 0.815 ( 0.031 -3.189 -2.680) 4.166 0.879 ( 2.435 -0.891 -2.551) 3.637 0.948 ( -2.249 0.124 -0.985) 2.458 0.976 ( -0.484 0.522 1.467) 1.631 1.089 ( 0.000 0.738 -0.128) 0.748 1.133 ( 1.390 -0.360 0.739) 1.615 1.190 ( -1.091 0.092 -0.317) 1.140 1.270 ( -0.910 -1.004 1.190) 1.803 1.316 ( -0.188 0.422 2.570) 2.611 1.482 ( 1.220 -1.292 0.706) 1.912 1.520 ( 0.896 0.118 1.647) 1.879 1.667 ( -1.673 2.134 -0.510) 2.759 1.761 ( 0.408 0.742 -3.618) 3.716 1.773 ( -0.329 0.245 -1.156) 1.226 1.986 ( -3.712 -0.731 0.520) 3.819 2.117 ( -1.732 1.241 3.553) 4.143 2.279 ( 4.789 -2.948 6.224) 8.389 2.626 ( 0.413 -2.274 -4.590) 5.140 2.778 ( -1.358 -0.589 -0.041) 1.481 2.844 ( 2.941 -1.771 0.579) 3.482 2.921 ( 4.502 -0.565 -2.214) 5.049 3.111 ( 0.311 -0.783 0.875) 1.215 3.318 ( 5.748 -3.205 1.241) 6.697 3.564 ( 1.065 0.654 -2.651) 2.931 3.916 ( 1.426 1.989 -0.734) 2.555 3.997 ( 2.897 0.836 -0.161) 3.019 4.084 ( -11.129 6.266 -0.743) 12.794 4.205 ( -3.858 -2.481 2.944) 5.450 4.390 ( 1.657 1.908 0.178) 2.533 4.647 ( 0.707 3.618 5.389) 6.529 4.737 ( 2.178 -3.984 0.272) 4.549 4.890 ( 0.156 5.119 -7.351) 8.959 6.197 ( 1.107 -2.479 1.739) 3.224 6.303 ( -2.395 -1.663 1.716) 3.384 6.953 ( 10.194 -7.632 -2.523) 12.982 6.955 ( 3.063 -2.460 -5.106) 6.442 7.666 ( 0.577 1.916 1.418) 2.452 7.894 ( -2.276 -1.082 0.350) 2.544 8.077 ( 1.298 0.662 -1.560) 2.135 8.155 ( -0.883 -0.607 -4.095) 4.233 8.361 ( -3.118 2.965 4.318) 6.096 8.686 ( 0.870 0.257 -3.038) 3.171 8.818 ( -2.376 0.145 4.975) 5.515 9.170 ( 0.418 -0.389 -4.591) 4.626 9.323 ( -2.007 1.821 1.286) 3.000 9.361 ( -1.535 1.451 0.679) 2.219 9.420 ( -1.786 1.461 -0.591) 2.382 9.625 ( -0.301 -0.252 -0.660) 0.768 9.751 ( 1.476 1.003 0.867) 1.984 9.804 ( 4.561 -0.827 -3.214) 5.640 9.972 ( -0.252 0.456 1.116) 1.232 10.090 ( -2.001 -0.560 4.102) 4.598 ======================= Grid point 71 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.295 1.522 3.390) 3.728 0.830 ( -2.077 0.443 -1.112) 2.398 0.874 ( 1.859 -0.152 -2.598) 3.198 0.897 ( -0.386 0.757 -3.244) 3.353 0.926 ( -0.729 -2.971 1.273) 3.313 0.979 ( 0.412 -0.614 0.456) 0.869 1.080 ( -0.175 0.290 0.689) 0.768 1.138 ( 1.259 0.306 -0.717) 1.480 1.164 ( -2.644 0.631 -1.230) 2.983 1.278 ( -1.581 0.609 4.602) 4.904 1.314 ( 1.555 -0.005 1.673) 2.284 1.503 ( 0.369 3.017 0.229) 3.048 1.512 ( -0.660 -0.432 -1.691) 1.866 1.611 ( -1.382 0.833 -0.988) 1.892 1.771 ( 1.225 -1.464 -1.139) 2.223 1.799 ( 1.485 -2.889 1.225) 3.472 1.955 ( -2.890 0.230 0.803) 3.008 2.085 ( -1.646 1.017 1.854) 2.679 2.373 ( 2.643 0.057 7.178) 7.649 2.649 ( -0.120 -1.711 -3.874) 4.236 2.742 ( -2.216 1.395 1.894) 3.232 2.880 ( 2.748 -1.236 -4.946) 5.791 2.975 ( 2.176 1.128 2.420) 3.444 3.122 ( -0.940 -0.545 1.524) 1.872 3.435 ( 0.626 -0.734 -3.138) 3.283 3.533 ( -2.365 1.268 0.194) 2.691 3.870 ( -1.240 2.214 -1.149) 2.786 3.949 ( 3.095 -0.325 -2.294) 3.866 4.002 ( -0.507 0.074 -0.176) 0.542 4.226 ( -3.041 -3.024 3.692) 5.659 4.374 ( 0.394 1.600 0.539) 1.734 4.610 ( -0.589 2.708 2.462) 3.707 4.742 ( 1.390 3.990 -4.602) 6.248 4.901 ( 2.384 -5.471 -0.355) 5.979 6.218 ( -1.207 0.583 -0.030) 1.341 6.287 ( -1.666 0.808 0.181) 1.860 6.986 ( 0.960 -1.454 -3.509) 3.918 7.108 ( 0.955 -1.919 -0.086) 2.146 7.651 ( 1.308 1.878 1.583) 2.783 7.907 ( 0.047 -1.918 0.171) 1.926 8.071 ( -0.156 0.152 -1.494) 1.510 8.135 ( 0.281 0.559 -1.829) 1.933 8.318 ( -1.052 0.675 3.149) 3.388 8.686 ( 1.432 0.108 -2.258) 2.676 8.818 ( -1.306 -0.547 4.487) 4.705 9.175 ( 1.159 -1.165 -4.888) 5.157 9.280 ( -1.497 0.996 -0.011) 1.798 9.329 ( -1.123 0.599 -0.138) 1.280 9.397 ( -0.109 0.045 -0.132) 0.177 9.617 ( -0.204 0.379 -1.163) 1.240 9.759 ( 0.258 -0.182 1.289) 1.328 9.853 ( 2.802 -1.115 -3.112) 4.334 9.969 ( 1.208 0.856 1.004) 1.789 10.088 ( -2.658 -0.428 5.030) 5.705 ======================= Grid point 72 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -1.533 5.317 3.211) 6.397 0.729 ( -4.454 5.289 1.271) 7.031 0.833 ( -0.847 2.893 -5.582) 6.344 0.872 ( -0.087 0.046 -1.343) 1.347 0.964 ( 0.134 -0.436 1.485) 1.553 1.007 ( 0.253 -1.269 0.022) 1.294 1.086 ( -1.063 -1.186 2.501) 2.965 1.120 ( -0.874 0.604 -1.449) 1.797 1.157 ( 1.316 -0.709 -0.287) 1.522 1.256 ( -1.614 2.815 4.956) 5.924 1.345 ( -0.010 -0.923 2.395) 2.567 1.444 ( -0.604 2.818 -1.584) 3.289 1.478 ( -1.855 0.267 -0.406) 1.917 1.607 ( 1.253 0.173 -1.861) 2.250 1.808 ( 2.217 -1.440 -3.741) 4.581 1.902 ( 1.605 -4.621 4.012) 6.327 1.921 ( -1.040 0.573 0.979) 1.539 2.064 ( -1.360 0.242 0.433) 1.448 2.355 ( -3.458 5.239 3.940) 7.411 2.619 ( -1.080 1.122 -1.480) 2.149 2.760 ( 0.607 -2.623 3.578) 4.478 2.908 ( 1.012 -1.024 -4.775) 4.987 2.965 ( 1.065 1.954 1.581) 2.730 3.119 ( -1.830 -0.192 1.583) 2.428 3.277 ( -9.457 6.347 -0.003) 11.389 3.523 ( 1.087 -0.202 -4.631) 4.761 3.862 ( -0.462 -1.037 -1.000) 1.513 3.982 ( -2.533 -0.323 -0.890) 2.704 4.082 ( 9.400 -4.088 -1.064) 10.305 4.263 ( -2.199 -3.259 5.580) 6.826 4.354 ( -0.125 0.962 0.516) 1.098 4.569 ( -0.892 1.520 0.551) 1.847 4.682 ( 1.495 3.399 -3.168) 4.880 5.028 ( 2.203 -6.362 -0.999) 6.806 6.148 ( -3.799 4.130 0.575) 5.641 6.247 ( -0.721 2.765 0.114) 2.859 6.989 ( -2.026 1.377 -3.504) 4.275 7.043 ( -6.673 1.840 -1.427) 7.068 7.646 ( 1.418 1.511 2.036) 2.905 7.940 ( 1.454 -0.108 1.055) 1.800 8.077 ( 0.370 -1.918 -2.306) 3.023 8.125 ( 2.248 2.112 -3.980) 5.036 8.340 ( 0.623 -2.062 2.997) 3.691 8.697 ( 1.945 0.043 -2.001) 2.791 8.837 ( -0.589 -0.945 4.696) 4.826 9.193 ( 1.652 -1.266 -5.137) 5.543 9.262 ( -0.644 -0.352 -0.482) 0.878 9.321 ( -0.639 -0.835 1.047) 1.484 9.414 ( 0.803 -1.694 0.176) 1.883 9.603 ( 0.322 0.744 -0.918) 1.225 9.771 ( -0.672 -0.960 0.999) 1.540 9.873 ( -0.232 -0.976 -3.242) 3.394 9.982 ( 3.219 0.990 0.639) 3.428 10.085 ( -3.074 -0.785 5.862) 6.665 ======================= Grid point 73 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -1.652 10.643 4.525) 11.682 0.564 ( -6.982 7.712 3.499) 10.975 0.790 ( -0.359 0.212 -2.254) 2.292 0.869 ( 0.152 -0.351 -2.714) 2.741 0.966 ( -0.784 1.537 3.921) 4.283 1.003 ( -1.216 0.583 -0.004) 1.348 1.088 ( -5.628 4.336 7.402) 10.260 1.118 ( 0.529 -0.389 0.182) 0.681 1.147 ( -2.099 2.473 0.062) 3.244 1.181 ( 1.635 -0.066 0.060) 1.637 1.371 ( -1.104 -2.278 -0.804) 2.656 1.413 ( 1.018 1.749 -0.925) 2.226 1.477 ( -3.309 -2.772 3.261) 5.410 1.602 ( 3.709 2.235 -2.321) 4.913 1.827 ( 1.804 -0.049 -6.927) 7.158 1.894 ( -1.137 0.263 0.440) 1.247 2.023 ( 1.528 -2.975 4.079) 5.275 2.029 ( -2.465 0.819 1.121) 2.830 2.220 ( -4.168 3.278 2.061) 5.690 2.620 ( 1.397 -0.467 0.988) 1.774 2.827 ( 0.643 -2.465 3.642) 4.444 2.892 ( -1.486 0.128 -3.771) 4.055 2.961 ( 1.156 0.703 -3.198) 3.472 3.053 ( -3.944 5.211 -3.850) 7.585 3.146 ( -2.838 0.342 7.354) 7.890 3.531 ( 1.728 -1.217 -5.115) 5.534 3.869 ( -2.458 -1.811 -2.268) 3.804 3.956 ( -2.752 -1.143 -0.195) 2.986 4.184 ( 2.402 0.257 0.577) 2.484 4.327 ( -1.550 -2.877 5.089) 6.048 4.376 ( 1.766 -3.279 5.159) 6.363 4.560 ( 1.343 -0.372 -0.572) 1.507 4.639 ( 1.123 2.341 -2.415) 3.545 5.141 ( 2.476 -4.865 -2.526) 6.014 6.015 ( -5.700 6.012 2.809) 8.747 6.176 ( -2.092 4.129 1.224) 4.787 6.795 ( -10.307 6.593 -3.570) 12.746 7.005 ( 1.803 1.991 -8.613) 9.022 7.646 ( 0.546 1.162 3.103) 3.358 7.952 ( 0.614 0.206 1.105) 1.281 8.052 ( 3.033 7.637 -10.950) 13.690 8.111 ( 0.145 -2.232 -1.833) 2.892 8.409 ( 1.176 -3.022 3.417) 4.711 8.710 ( 1.951 0.280 -2.201) 2.955 8.871 ( 0.078 -1.374 5.251) 5.428 9.215 ( 1.782 -1.154 -4.580) 5.049 9.268 ( 0.139 -0.735 0.161) 0.765 9.351 ( -0.046 -2.295 2.595) 3.465 9.473 ( 0.463 -4.341 1.282) 4.550 9.596 ( 0.733 0.574 0.091) 0.935 9.780 ( -1.475 -1.269 0.537) 2.019 9.861 ( -1.615 -0.537 -3.339) 3.748 10.007 ( 3.719 1.257 -0.361) 3.943 10.092 ( -3.048 -1.706 5.918) 6.872 ======================= Grid point 74 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -6.295 8.145 8.066) 13.078 0.384 ( -2.355 10.557 9.677) 14.514 0.703 ( -11.642 7.493 14.586) 20.110 0.858 ( 0.675 1.733 -1.083) 2.152 0.879 ( 0.099 0.972 1.360) 1.674 0.986 ( -2.098 0.611 1.045) 2.422 1.013 ( 1.247 1.119 -0.654) 1.798 1.125 ( 0.209 -0.021 -2.817) 2.825 1.149 ( -1.557 -0.965 3.268) 3.746 1.206 ( 2.485 0.078 2.493) 3.521 1.378 ( -0.487 -0.512 -2.037) 2.156 1.391 ( 0.846 0.670 -1.848) 2.140 1.502 ( -4.657 -3.521 5.887) 8.291 1.611 ( 2.825 1.227 -4.191) 5.201 1.795 ( -0.676 2.206 -6.517) 6.913 1.858 ( -1.116 0.664 -5.236) 5.395 2.032 ( 1.045 -2.230 5.596) 6.114 2.068 ( -1.291 0.485 3.996) 4.227 2.202 ( 1.334 -1.192 0.582) 1.881 2.649 ( 0.844 -0.697 -0.678) 1.287 2.841 ( -3.339 0.280 -5.275) 6.249 2.850 ( -3.173 0.968 -5.908) 6.776 2.908 ( -0.066 1.018 0.629) 1.199 2.986 ( 2.010 1.244 1.453) 2.775 3.175 ( 0.668 -0.807 7.829) 7.899 3.559 ( 2.371 -1.339 -3.910) 4.765 3.833 ( -5.306 -0.589 -1.045) 5.440 3.961 ( -0.678 -1.214 -0.974) 1.698 4.171 ( -1.120 1.639 2.153) 2.929 4.363 ( 1.177 -1.037 -0.673) 1.706 4.557 ( 2.438 -10.353 12.150) 16.147 4.603 ( -0.625 -6.299 5.116) 8.139 4.620 ( 1.491 -0.496 -0.302) 1.600 5.219 ( 4.644 -0.524 -3.787) 6.015 5.863 ( -5.731 5.400 5.504) 9.607 6.084 ( -4.200 3.225 2.478) 5.847 6.585 ( -6.286 4.283 -6.784) 10.192 6.841 ( 3.374 20.263 -22.036) 30.126 7.640 ( 0.107 1.231 5.012) 5.162 7.871 ( 4.056 12.099 -11.056) 16.884 7.958 ( 0.084 -0.064 0.927) 0.933 8.134 ( -0.049 -1.238 -1.744) 2.139 8.471 ( 0.365 -1.689 2.969) 3.435 8.714 ( 1.290 0.312 -2.656) 2.969 8.922 ( 0.616 -1.820 4.771) 5.144 9.233 ( 1.448 -0.717 -4.461) 4.744 9.298 ( 3.026 -0.532 3.163) 4.410 9.404 ( -0.172 -2.429 3.471) 4.240 9.546 ( -0.143 -1.921 -0.280) 1.947 9.637 ( -0.802 -6.872 3.921) 7.952 9.783 ( -1.462 -1.015 0.176) 1.789 9.840 ( -2.118 -1.415 -2.492) 3.563 10.013 ( 3.221 2.557 -1.248) 4.298 10.101 ( -4.680 -1.567 1.624) 5.196 ======================= Grid point 76 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 7.885 0.000 5.746) 9.756 0.499 ( 7.832 0.000 10.322) 12.957 0.812 ( -0.287 -0.000 -1.732) 1.756 0.879 ( 3.368 0.000 -2.610) 4.261 0.947 ( 1.090 0.000 -3.421) 3.590 0.990 ( 1.315 0.000 -2.555) 2.874 1.042 ( 6.168 0.000 17.335) 18.400 1.148 ( -0.485 -0.000 2.212) 2.265 1.161 ( 2.102 0.000 4.170) 4.670 1.275 ( -2.024 -0.000 -1.799) 2.708 1.280 ( 0.430 0.000 0.922) 1.018 1.462 ( -0.113 -0.000 1.624) 1.627 1.484 ( 1.780 0.000 3.187) 3.650 1.562 ( -0.206 -0.000 -0.604) 0.638 1.786 ( 5.413 0.000 -1.850) 5.721 1.851 ( 3.418 0.000 -7.073) 7.856 1.996 ( 0.111 0.000 2.380) 2.383 1.996 ( -3.262 -0.000 1.580) 3.624 2.239 ( -2.057 -0.000 1.090) 2.328 2.509 ( -1.179 -0.000 -6.392) 6.500 2.691 ( -3.710 -0.000 -0.659) 3.768 2.769 ( 2.194 0.000 -3.025) 3.737 2.983 ( 0.891 0.000 2.024) 2.212 3.050 ( 1.049 0.000 -0.162) 1.062 3.279 ( -0.796 -0.000 5.928) 5.981 3.589 ( -0.066 -0.000 -3.183) 3.184 3.984 ( 1.737 0.000 -1.781) 2.488 4.014 ( 7.474 0.000 -4.661) 8.809 4.128 ( -1.639 -0.000 1.779) 2.419 4.413 ( -1.777 -0.000 1.723) 2.475 4.488 ( -6.619 -0.000 -1.205) 6.727 4.568 ( 2.768 0.000 -4.708) 5.461 4.904 ( -6.932 -0.000 8.966) 11.333 5.112 ( -0.121 -0.000 1.050) 1.057 6.056 ( 14.077 0.000 9.845) 17.178 6.379 ( 4.109 0.000 -5.158) 6.595 6.406 ( 9.373 0.000 -7.631) 12.087 6.580 ( 11.138 0.000 -8.121) 13.785 7.803 ( 3.897 0.000 -0.491) 3.928 7.851 ( 0.866 0.000 -6.257) 6.317 8.049 ( 1.870 0.000 0.494) 1.934 8.119 ( 0.296 0.000 -3.015) 3.029 8.469 ( -3.122 -0.000 3.153) 4.437 8.689 ( 0.065 0.000 -3.397) 3.398 8.873 ( -5.699 -0.000 7.424) 9.360 9.202 ( -0.358 -0.000 -5.300) 5.312 9.387 ( -3.632 -0.000 1.364) 3.879 9.436 ( -5.348 -0.000 4.936) 7.278 9.573 ( 2.299 0.000 0.928) 2.479 9.578 ( -4.232 -0.000 -4.672) 6.304 9.780 ( -1.829 -0.000 0.305) 1.854 9.829 ( 4.463 0.000 0.234) 4.469 9.980 ( 0.953 0.000 4.282) 4.387 10.012 ( -0.431 -0.000 -1.044) 1.129 ======================= Grid point 77 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 5.736 -2.770 3.986) 7.514 0.633 ( 4.954 -2.113 4.659) 7.121 0.839 ( 2.830 -2.137 -0.311) 3.560 0.900 ( 3.326 1.342 -6.246) 7.202 0.916 ( -0.828 0.884 -0.948) 1.538 1.014 ( 1.047 -0.250 -0.045) 1.077 1.097 ( 2.697 2.826 8.331) 9.202 1.130 ( -0.144 1.146 1.101) 1.596 1.205 ( -0.497 0.503 -0.610) 0.934 1.272 ( 1.045 -0.402 2.357) 2.609 1.286 ( 0.652 0.431 -0.067) 0.785 1.482 ( -0.097 -1.409 1.931) 2.392 1.520 ( 3.443 0.117 3.229) 4.721 1.597 ( -0.785 -3.960 -2.243) 4.618 1.818 ( 2.398 1.640 -0.990) 3.069 1.829 ( -0.194 1.494 -6.854) 7.017 1.962 ( -3.499 -0.111 1.410) 3.774 2.085 ( 6.182 -2.511 7.320) 9.904 2.214 ( -1.414 -0.097 1.585) 2.126 2.535 ( 3.977 -3.184 -3.883) 6.406 2.681 ( 0.032 -2.563 0.288) 2.579 2.792 ( 2.873 -0.644 -2.635) 3.952 2.970 ( -0.031 2.172 0.158) 2.178 3.071 ( 0.200 -1.392 0.397) 1.461 3.288 ( 0.330 0.201 3.340) 3.362 3.576 ( 0.023 0.041 -3.503) 3.504 3.967 ( 0.306 1.993 -0.952) 2.229 4.063 ( 4.184 0.356 -2.475) 4.874 4.126 ( -0.370 -0.293 -0.187) 0.508 4.305 ( -9.624 5.184 0.592) 10.947 4.440 ( -1.576 -0.917 0.528) 1.898 4.618 ( 4.688 -1.297 -3.943) 6.261 4.818 ( -2.572 5.467 10.272) 11.917 5.072 ( -1.101 4.025 -3.134) 5.219 6.218 ( 12.535 3.467 6.274) 14.439 6.318 ( 6.992 5.173 -0.715) 8.727 6.647 ( 13.736 -9.941 -6.887) 18.301 6.768 ( 5.611 -9.172 -6.300) 12.462 7.771 ( 2.757 4.069 -1.949) 5.287 7.884 ( 0.060 -1.026 -0.148) 1.039 8.079 ( -0.907 -2.381 -1.172) 2.804 8.106 ( 0.945 0.715 -2.739) 2.985 8.433 ( -4.148 0.853 3.787) 5.681 8.680 ( -0.096 -0.417 -3.652) 3.677 8.835 ( -4.246 0.637 6.428) 7.730 9.173 ( -0.463 0.350 -5.444) 5.475 9.348 ( -3.916 -0.043 0.381) 3.934 9.395 ( -3.408 0.412 2.831) 4.450 9.494 ( -3.571 2.227 -1.982) 4.652 9.609 ( 1.118 -0.721 0.835) 1.571 9.760 ( -1.872 -0.502 -0.005) 1.938 9.848 ( 4.603 3.162 -0.081) 5.585 9.983 ( 0.874 0.448 -0.143) 0.992 10.043 ( -1.596 -2.431 3.033) 4.201 ======================= Grid point 78 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 1.327 -5.121 -2.057) 5.676 0.763 ( 6.371 -3.406 3.987) 8.251 0.846 ( 1.059 4.591 0.325) 4.722 0.897 ( 2.877 0.091 -1.009) 3.050 0.912 ( -0.620 -1.121 -2.887) 3.158 1.009 ( 1.090 2.108 2.106) 3.173 1.102 ( -0.003 1.292 0.864) 1.554 1.133 ( -0.496 -1.146 2.437) 2.739 1.179 ( 0.897 1.414 -2.472) 2.986 1.282 ( 1.273 0.612 2.168) 2.588 1.314 ( 1.183 -1.519 1.124) 2.230 1.485 ( -0.808 0.228 0.973) 1.286 1.574 ( 4.523 1.170 2.430) 5.266 1.630 ( -1.650 -2.743 -4.173) 5.259 1.770 ( -0.793 1.606 -3.186) 3.655 1.791 ( 0.066 2.387 -1.430) 2.783 1.939 ( -2.999 -0.760 2.174) 3.782 2.118 ( -2.950 0.939 3.189) 4.445 2.309 ( 5.811 -3.328 7.280) 9.891 2.597 ( 2.715 -0.904 -3.750) 4.718 2.768 ( 3.009 -1.160 -0.729) 3.306 2.856 ( 3.481 -2.168 2.155) 4.633 2.949 ( 3.322 -0.549 -2.405) 4.137 3.091 ( -1.305 -1.288 1.287) 2.240 3.324 ( 3.079 -2.316 0.129) 3.855 3.559 ( -0.688 0.260 -2.914) 3.005 3.942 ( 0.119 0.961 -0.578) 1.127 4.055 ( -6.655 5.699 -0.445) 8.773 4.079 ( -0.429 1.752 -1.595) 2.408 4.155 ( -1.488 0.169 0.924) 1.760 4.444 ( 0.492 0.580 0.581) 0.958 4.662 ( 0.454 -1.114 -2.608) 2.872 4.770 ( 0.774 2.734 9.016) 9.453 4.957 ( -0.104 6.197 -6.229) 8.787 6.291 ( 10.131 4.329 1.822) 11.167 6.334 ( 6.565 2.999 -0.217) 7.221 6.901 ( 2.704 -4.673 -4.377) 6.950 6.946 ( 11.622 -7.731 -1.686) 14.060 7.745 ( 3.685 2.673 -1.340) 4.746 7.873 ( -1.387 1.370 2.909) 3.502 8.073 ( -1.771 -1.271 -4.451) 4.957 8.115 ( 0.424 -0.383 0.008) 0.572 8.380 ( -3.776 1.734 4.005) 5.771 8.674 ( -0.328 -0.729 -3.334) 3.429 8.810 ( -2.639 0.125 5.090) 5.735 9.149 ( 0.220 -0.238 -5.147) 5.157 9.303 ( -3.763 0.133 -0.673) 3.825 9.365 ( -1.807 0.882 0.824) 2.173 9.423 ( -2.371 1.378 0.027) 2.742 9.625 ( 0.785 0.161 -0.528) 0.960 9.754 ( -1.750 -0.947 0.762) 2.131 9.845 ( 2.523 1.684 -1.032) 3.204 9.993 ( 2.073 0.430 -0.362) 2.148 10.062 ( -2.731 -1.312 4.287) 5.250 ======================= Grid point 79 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.791 -1.387 -2.073) 3.071 0.781 ( 0.867 -0.002 0.663) 1.091 0.888 ( 2.611 0.694 -0.445) 2.738 0.909 ( 0.444 0.817 -1.166) 1.491 0.918 ( 4.372 -1.706 -0.313) 4.703 0.994 ( 0.618 1.737 1.520) 2.390 1.085 ( -0.549 0.583 0.490) 0.939 1.134 ( -1.703 -0.378 -0.976) 1.999 1.164 ( 1.238 1.345 -0.814) 2.001 1.305 ( 0.399 0.729 5.345) 5.409 1.336 ( 1.596 0.195 0.466) 1.674 1.496 ( 0.834 -1.135 -1.241) 1.877 1.582 ( 2.722 3.714 0.874) 4.687 1.605 ( -1.905 1.204 -3.416) 4.092 1.754 ( 0.922 -1.164 -2.783) 3.154 1.783 ( 0.835 -1.482 2.592) 3.100 1.930 ( -2.201 -0.487 2.953) 3.715 2.078 ( -2.894 0.641 1.171) 3.187 2.433 ( 4.395 -0.616 8.048) 9.191 2.620 ( 1.810 -0.477 -3.824) 4.257 2.759 ( -1.023 2.394 1.406) 2.959 2.881 ( 2.258 -0.188 -4.381) 4.932 3.014 ( 1.375 0.068 0.843) 1.614 3.094 ( -2.668 -1.058 2.449) 3.773 3.404 ( -0.217 -1.081 -4.012) 4.161 3.527 ( -1.563 0.676 0.242) 1.720 3.868 ( -3.790 2.247 0.265) 4.414 3.966 ( 2.218 -0.808 -1.684) 2.899 4.055 ( 3.229 2.803 -1.953) 4.701 4.172 ( -1.088 -2.082 3.004) 3.813 4.428 ( 1.041 2.613 0.635) 2.883 4.637 ( -3.122 1.215 1.711) 3.761 4.797 ( 1.737 1.497 -1.611) 2.802 4.859 ( 0.817 0.839 -2.302) 2.583 6.324 ( 9.285 6.154 0.352) 11.145 6.349 ( 5.921 3.447 -0.090) 6.852 6.948 ( -0.133 -1.718 -2.842) 3.324 7.097 ( 0.932 -0.730 -0.053) 1.185 7.747 ( 4.932 3.784 0.589) 6.244 7.873 ( 0.636 -2.407 1.003) 2.685 8.060 ( -0.872 -0.466 -2.973) 3.133 8.121 ( -0.178 -0.693 0.133) 0.728 8.333 ( -1.919 1.276 3.032) 3.808 8.674 ( -0.248 -1.229 -2.765) 3.036 8.809 ( -1.466 -0.632 4.572) 4.843 9.151 ( 1.246 -1.074 -4.777) 5.053 9.260 ( -2.596 0.000 -1.275) 2.893 9.329 ( -1.732 1.068 0.888) 2.220 9.398 ( -0.369 0.145 0.175) 0.433 9.623 ( 0.787 0.534 -1.102) 1.456 9.751 ( -1.578 -0.540 0.719) 1.816 9.843 ( 0.107 -0.262 -2.124) 2.143 10.010 ( 2.649 0.703 -0.044) 2.741 10.061 ( -3.425 -0.804 5.187) 6.267 ======================= Grid point 80 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -2.609 2.223 2.912) 4.498 0.799 ( 0.309 0.962 -1.713) 1.988 0.854 ( 0.089 2.945 -1.804) 3.454 0.886 ( 1.179 2.009 -2.837) 3.671 0.977 ( -0.445 0.651 0.776) 1.106 0.999 ( 4.002 -0.594 0.616) 4.092 1.075 ( -0.690 0.147 0.940) 1.175 1.116 ( -0.665 0.033 -0.527) 0.849 1.162 ( 1.136 -0.001 -0.850) 1.419 1.298 ( -0.196 0.666 3.829) 3.892 1.360 ( -0.053 1.620 4.349) 4.641 1.480 ( 0.460 2.547 -2.439) 3.556 1.518 ( 0.466 5.025 0.980) 5.141 1.601 ( 1.555 -1.999 -2.943) 3.883 1.786 ( 0.975 -1.901 -2.040) 2.954 1.874 ( 3.570 -4.306 3.661) 6.685 1.924 ( -1.196 0.380 3.452) 3.673 2.043 ( -2.656 0.056 -0.693) 2.745 2.435 ( -1.534 7.432 2.833) 8.100 2.606 ( -1.579 -0.195 -0.631) 1.712 2.750 ( 1.277 -1.273 2.918) 3.430 2.891 ( 1.087 -0.240 -5.362) 5.477 2.990 ( -1.862 1.205 -0.483) 2.270 3.087 ( -3.285 -1.040 3.084) 4.624 3.283 ( -6.215 5.608 -0.807) 8.410 3.512 ( 0.366 0.178 -4.471) 4.490 3.854 ( 0.621 0.182 0.460) 0.793 3.974 ( -1.790 1.219 1.445) 2.604 4.131 ( 10.604 -2.999 -3.314) 11.508 4.217 ( -0.913 -2.967 5.374) 6.206 4.392 ( 0.402 2.895 0.895) 3.057 4.586 ( -2.506 1.226 1.409) 3.125 4.730 ( 0.325 3.755 -4.544) 5.904 4.929 ( 0.408 -6.018 -1.798) 6.294 6.287 ( 6.965 9.608 0.913) 11.902 6.355 ( 5.805 5.055 1.767) 7.898 6.952 ( -1.235 -1.509 -3.508) 4.013 7.002 ( -8.792 4.805 -0.918) 10.061 7.734 ( 3.586 3.795 1.708) 5.493 7.946 ( 2.183 -2.050 0.371) 3.017 8.048 ( -0.151 -0.409 -2.458) 2.496 8.147 ( 2.421 -0.880 -2.642) 3.690 8.323 ( -1.069 -1.114 2.618) 3.039 8.689 ( 0.349 -1.591 -2.730) 3.179 8.828 ( -1.123 -1.123 4.968) 5.216 9.172 ( 1.890 -1.269 -4.264) 4.834 9.241 ( -1.001 -0.699 -0.367) 1.275 9.308 ( -1.107 -0.147 1.564) 1.922 9.406 ( 0.890 -0.721 -0.229) 1.168 9.620 ( 1.017 0.674 -0.523) 1.328 9.742 ( -1.912 -0.713 -0.139) 2.046 9.836 ( -1.309 -0.891 -3.384) 3.736 10.029 ( 2.530 0.545 -0.042) 2.588 10.053 ( -3.829 -0.796 6.202) 7.332 ======================= Grid point 81 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -3.992 5.946 4.298) 8.352 0.744 ( 3.348 7.367 0.557) 8.111 0.805 ( 0.987 2.493 -2.762) 3.849 0.859 ( -0.332 0.667 -2.012) 2.145 0.975 ( -0.189 -0.416 1.269) 1.349 1.016 ( 0.810 1.776 0.308) 1.976 1.082 ( -0.759 -0.930 2.854) 3.096 1.113 ( -0.439 0.285 -0.835) 0.985 1.182 ( 0.954 -1.180 -0.785) 1.708 1.262 ( -2.976 8.819 8.052) 12.307 1.323 ( 0.088 -1.857 1.012) 2.116 1.442 ( -0.877 2.767 -1.391) 3.219 1.470 ( 1.082 1.503 3.183) 3.683 1.655 ( 4.263 -1.634 -3.858) 5.977 1.807 ( 0.464 -0.953 -4.619) 4.739 1.913 ( 0.832 2.332 3.087) 3.957 1.993 ( -5.132 0.530 -1.219) 5.301 2.005 ( 3.110 -4.063 3.466) 6.180 2.246 ( -5.442 6.336 1.340) 8.459 2.616 ( -0.296 -0.967 2.142) 2.368 2.812 ( 1.368 -1.986 1.965) 3.111 2.865 ( -0.878 0.769 -6.075) 6.186 2.950 ( -1.930 0.428 -2.827) 3.450 3.072 ( -1.900 0.996 -0.577) 2.222 3.159 ( -2.078 2.603 4.882) 5.910 3.507 ( 1.375 -1.066 -5.514) 5.782 3.851 ( 0.021 1.118 1.011) 1.508 3.942 ( -0.874 0.668 1.555) 1.905 4.230 ( 4.027 0.961 -1.163) 4.301 4.291 ( -0.860 -2.933 7.245) 7.863 4.376 ( 0.928 -0.464 2.549) 2.752 4.572 ( 0.841 -0.820 -0.541) 1.293 4.663 ( -0.230 2.577 -3.349) 4.232 5.028 ( -0.378 -7.380 -4.982) 8.913 6.173 ( 3.163 12.340 3.861) 13.311 6.314 ( 3.407 7.718 4.812) 9.712 6.785 ( -8.126 6.654 -4.108) 11.277 6.964 ( -0.026 -2.564 -7.399) 7.830 7.716 ( 1.433 3.234 3.207) 4.775 7.965 ( -0.025 0.658 0.485) 0.818 8.063 ( -0.086 -2.107 -2.810) 3.513 8.146 ( 4.592 2.929 -10.712) 12.017 8.373 ( -0.289 -3.747 4.601) 5.941 8.708 ( 0.661 -1.136 -3.038) 3.311 8.855 ( -1.660 -1.691 5.643) 6.120 9.198 ( 1.604 -1.125 -4.062) 4.510 9.262 ( 1.255 -1.441 2.564) 3.197 9.323 ( -0.277 -1.749 2.223) 2.842 9.438 ( 0.892 -1.588 0.574) 1.909 9.620 ( 1.061 0.852 0.385) 1.414 9.734 ( -1.934 -1.414 -1.082) 2.629 9.817 ( -1.844 -0.750 -4.661) 5.069 10.037 ( -2.026 -0.290 3.058) 3.680 10.059 ( 0.021 -0.570 3.224) 3.274 ======================= Grid point 82 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -1.216 9.499 6.507) 11.578 0.636 ( 1.159 11.504 4.535) 12.420 0.750 ( -1.507 3.719 2.051) 4.507 0.843 ( 0.905 -0.856 -5.150) 5.299 0.967 ( -0.378 3.226 2.893) 4.350 0.993 ( -1.805 1.171 3.905) 4.459 1.043 ( -0.616 2.759 3.260) 4.314 1.109 ( -0.376 -0.931 -0.423) 1.089 1.172 ( 1.057 3.232 6.223) 7.091 1.217 ( 0.829 -1.386 0.591) 1.720 1.356 ( -0.402 -0.658 -0.745) 1.072 1.388 ( -0.447 0.674 -0.760) 1.110 1.476 ( -0.279 0.404 4.591) 4.618 1.695 ( 4.575 2.838 -3.875) 6.633 1.799 ( 1.989 0.763 -6.187) 6.543 1.840 ( -1.933 2.918 -4.241) 5.499 1.972 ( -3.362 -3.210 4.407) 6.406 2.071 ( -1.361 -0.135 3.232) 3.509 2.189 ( -0.012 -1.536 1.634) 2.243 2.628 ( -0.966 -0.500 -1.346) 1.730 2.795 ( -2.693 1.161 -5.507) 6.239 2.829 ( -1.005 1.250 -3.767) 4.095 2.926 ( 0.240 0.036 0.297) 0.384 3.029 ( 1.270 1.617 -0.297) 2.078 3.184 ( 0.541 -1.785 7.422) 7.653 3.539 ( 2.326 -2.251 -3.923) 5.087 3.840 ( 1.913 1.114 1.980) 2.970 3.945 ( 0.234 -0.541 0.160) 0.611 4.205 ( -0.775 2.833 0.776) 3.038 4.353 ( 1.469 -2.056 1.186) 2.791 4.438 ( -3.091 -5.694 12.066) 13.695 4.607 ( -0.456 -1.644 -0.453) 1.766 4.623 ( 3.034 1.549 -2.578) 4.272 5.120 ( -1.231 -7.202 -7.008) 10.124 6.006 ( 0.495 11.376 6.935) 13.333 6.227 ( 1.388 8.050 7.514) 11.099 6.603 ( -0.841 6.311 -7.992) 10.218 6.948 ( 1.355 2.551 -15.291) 15.561 7.684 ( -0.967 1.813 3.970) 4.470 7.947 ( -0.993 0.660 -0.918) 1.505 8.060 ( 4.602 2.927 -9.765) 11.185 8.119 ( 4.065 1.233 -7.188) 8.349 8.443 ( -0.779 -2.976 4.154) 5.169 8.713 ( 0.358 -0.228 -3.251) 3.278 8.885 ( -3.233 -2.415 6.186) 7.386 9.214 ( 0.825 -1.051 -4.374) 4.574 9.345 ( 4.764 -2.810 5.933) 8.111 9.369 ( 0.335 -2.420 2.582) 3.555 9.472 ( -2.000 -2.351 2.831) 4.188 9.617 ( 0.065 0.750 1.741) 1.897 9.739 ( -1.264 -1.931 -2.309) 3.265 9.788 ( -1.443 -0.510 -4.548) 4.799 10.024 ( -3.398 -0.399 2.954) 4.521 10.075 ( 0.285 0.456 1.238) 1.350 ======================= Grid point 85 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.462 -0.000 0.410) 0.618 0.712 ( 4.861 0.000 5.801) 7.569 0.848 ( 4.783 0.000 -1.501) 5.013 0.913 ( 1.141 0.000 -0.574) 1.277 0.948 ( 3.170 0.000 -6.561) 7.286 1.004 ( 0.922 0.000 -1.580) 1.829 1.130 ( -1.652 -0.000 2.182) 2.737 1.161 ( -0.495 -0.000 0.393) 0.632 1.242 ( 1.974 0.000 3.310) 3.854 1.305 ( 2.729 0.000 0.567) 2.788 1.309 ( 1.164 0.000 1.444) 1.855 1.444 ( -0.913 -0.000 -0.664) 1.129 1.550 ( -0.268 -0.000 -2.788) 2.801 1.584 ( 4.322 0.000 4.758) 6.428 1.807 ( -1.626 -0.000 -5.195) 5.443 1.857 ( 0.489 0.000 0.406) 0.636 1.930 ( -3.511 -0.000 2.195) 4.141 2.148 ( -1.993 -0.000 4.180) 4.631 2.232 ( 8.983 0.000 4.150) 9.896 2.574 ( 9.812 0.000 -1.281) 9.895 2.677 ( 3.607 0.000 1.750) 4.009 2.814 ( 3.852 0.000 -2.731) 4.722 2.985 ( -1.625 -0.000 0.371) 1.667 3.053 ( -0.688 -0.000 0.272) 0.740 3.301 ( 0.513 0.000 1.003) 1.126 3.562 ( 0.186 0.000 -4.213) 4.217 3.987 ( -0.299 -0.000 -1.301) 1.335 4.040 ( -2.966 -0.000 2.755) 4.048 4.166 ( 5.685 0.000 -6.040) 8.294 4.268 ( -10.493 -0.000 1.831) 10.652 4.337 ( -6.690 -0.000 -0.368) 6.700 4.684 ( 8.562 0.000 -6.321) 10.642 4.846 ( -4.723 -0.000 8.787) 9.976 5.091 ( -1.282 -0.000 -0.838) 1.532 6.400 ( 8.376 0.000 2.979) 8.890 6.605 ( 17.763 0.000 3.387) 18.083 6.615 ( 13.404 0.000 -5.136) 14.355 6.746 ( 8.224 0.000 -5.926) 10.136 7.798 ( -1.512 -0.000 -4.100) 4.370 7.908 ( 4.963 0.000 -0.655) 5.006 8.057 ( -1.593 -0.000 3.641) 3.974 8.109 ( 1.072 0.000 -3.354) 3.521 8.397 ( -5.642 -0.000 4.243) 7.059 8.657 ( -0.569 -0.000 -3.857) 3.899 8.817 ( -3.715 -0.000 5.859) 6.937 9.150 ( -0.263 -0.000 -5.894) 5.900 9.301 ( -3.791 -0.000 -0.882) 3.892 9.372 ( -2.485 -0.000 1.914) 3.137 9.457 ( -4.665 -0.000 -0.730) 4.721 9.627 ( 1.754 0.000 1.457) 2.280 9.726 ( -2.456 -0.000 -0.524) 2.512 9.905 ( 0.111 0.000 0.152) 0.188 10.003 ( 1.592 0.000 -1.420) 2.134 10.017 ( -0.385 -0.000 4.023) 4.042 ======================= Grid point 86 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -0.980 -4.253 -1.043) 4.488 0.790 ( 2.652 -1.909 3.896) 5.084 0.893 ( 1.638 1.196 -1.088) 2.302 0.913 ( 2.600 0.386 -0.828) 2.755 0.941 ( 3.054 1.690 -2.981) 4.590 1.027 ( 0.631 -1.217 -1.642) 2.139 1.113 ( -1.874 -0.022 0.803) 2.039 1.149 ( 0.525 1.810 1.178) 2.222 1.249 ( 2.320 3.754 0.156) 4.416 1.299 ( 0.398 -0.519 1.606) 1.734 1.337 ( 3.603 0.156 1.057) 3.758 1.464 ( -1.346 -1.449 -0.155) 1.984 1.545 ( -0.650 -2.271 -6.415) 6.836 1.652 ( 4.594 0.234 3.218) 5.613 1.765 ( -1.815 0.677 -1.360) 2.367 1.828 ( -0.847 2.695 -0.844) 2.948 1.908 ( -3.157 -0.537 5.356) 6.241 2.102 ( -4.895 0.648 2.349) 5.468 2.376 ( 9.066 -1.376 4.375) 10.160 2.660 ( 8.584 2.817 -0.418) 9.044 2.803 ( 6.685 -1.508 0.539) 6.874 2.870 ( 4.223 -2.089 1.591) 4.973 2.956 ( 0.852 -0.553 -2.590) 2.782 3.056 ( -1.830 -1.143 1.691) 2.742 3.319 ( 2.182 -1.338 -1.676) 3.060 3.545 ( -0.463 0.284 -3.430) 3.473 3.954 ( -2.103 1.664 0.017) 2.682 4.041 ( -2.820 -1.501 1.727) 3.631 4.071 ( -8.522 5.838 1.330) 10.416 4.188 ( 3.541 1.176 -5.704) 6.815 4.349 ( -5.369 -6.664 -0.197) 8.560 4.713 ( 4.642 3.648 -4.642) 7.511 4.822 ( -2.154 0.736 6.627) 7.007 5.036 ( -0.133 4.683 -1.945) 5.073 6.455 ( 7.563 3.448 0.901) 8.360 6.607 ( 15.990 10.492 0.123) 19.125 6.850 ( 4.513 -3.956 -3.906) 7.160 6.955 ( 13.195 -7.990 1.130) 15.467 7.769 ( -0.267 -0.391 -2.993) 3.030 7.946 ( 3.585 2.156 1.920) 4.603 8.017 ( -2.940 1.227 -1.396) 3.478 8.125 ( 1.333 -0.388 -0.536) 1.488 8.352 ( -5.581 -0.564 4.300) 7.068 8.640 ( -0.819 -0.565 -3.929) 4.053 8.800 ( -2.628 -0.014 5.056) 5.698 9.131 ( 0.668 -0.189 -5.461) 5.505 9.258 ( -3.260 -0.070 -1.071) 3.432 9.354 ( -1.711 0.168 0.590) 1.818 9.403 ( -3.782 0.135 1.236) 3.981 9.644 ( 1.537 0.693 -0.197) 1.698 9.712 ( -1.800 -1.357 -0.001) 2.254 9.875 ( -1.945 1.363 -0.564) 2.441 10.022 ( 2.228 0.089 -0.026) 2.230 10.032 ( -1.135 -0.758 3.122) 3.407 ======================= Grid point 87 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.642 -4.936 -1.369) 5.163 0.810 ( -0.489 1.631 0.717) 1.848 0.901 ( 1.083 -0.885 -2.052) 2.483 0.931 ( 1.847 0.569 0.881) 2.124 0.958 ( 3.574 0.414 0.176) 3.603 1.035 ( 0.860 0.481 -0.378) 1.055 1.089 ( -1.475 0.973 0.568) 1.855 1.130 ( 0.665 1.296 0.771) 1.648 1.208 ( 0.811 2.732 -0.849) 2.974 1.323 ( -0.480 0.061 2.330) 2.379 1.379 ( 3.429 0.814 1.690) 3.909 1.473 ( 0.522 -2.161 -1.312) 2.582 1.548 ( -1.438 -2.036 -7.027) 7.456 1.691 ( 4.258 2.196 -0.605) 4.829 1.739 ( -0.588 0.914 -1.339) 1.724 1.790 ( 0.077 -0.070 5.277) 5.278 1.911 ( -2.280 -0.748 6.154) 6.605 2.050 ( -4.268 0.074 1.234) 4.443 2.506 ( 6.737 -1.596 3.314) 7.676 2.691 ( 7.632 4.782 -0.523) 9.021 2.800 ( -2.040 3.316 1.408) 4.140 2.887 ( 1.999 0.110 -4.938) 5.329 3.019 ( 0.194 -0.134 -0.244) 0.339 3.056 ( -2.497 -0.807 3.407) 4.301 3.382 ( 2.333 -1.002 -4.430) 5.106 3.522 ( -0.971 0.252 0.488) 1.115 3.862 ( -3.638 1.325 0.894) 3.974 3.975 ( 0.311 0.910 -1.391) 1.691 4.066 ( -0.739 -2.399 2.594) 3.610 4.185 ( 2.715 0.899 -3.172) 4.271 4.395 ( -3.914 -5.161 -1.128) 6.575 4.652 ( -1.054 4.727 0.840) 4.915 4.819 ( 0.400 0.303 0.213) 0.545 4.937 ( 1.134 6.567 -2.589) 7.150 6.488 ( 7.534 3.337 0.825) 8.281 6.614 ( 14.993 10.384 0.303) 18.240 6.912 ( 0.395 -1.549 -2.330) 2.825 7.109 ( 1.086 0.763 1.217) 1.801 7.809 ( 3.425 -3.183 -2.187) 5.162 7.901 ( 0.318 4.560 2.830) 5.376 8.017 ( 0.880 -2.334 -2.390) 3.455 8.130 ( 0.704 0.825 0.367) 1.145 8.317 ( -4.768 -0.443 2.992) 5.646 8.631 ( -0.629 -1.334 -3.860) 4.132 8.799 ( -1.576 -0.597 4.659) 4.954 9.137 ( 2.121 -0.835 -4.486) 5.032 9.226 ( -2.011 -0.237 -0.580) 2.106 9.324 ( -2.267 0.728 0.873) 2.536 9.387 ( -1.352 -0.779 1.062) 1.888 9.643 ( 1.310 0.830 -1.049) 1.872 9.718 ( -1.193 -1.108 -0.505) 1.705 9.828 ( -2.558 0.599 -1.447) 2.999 10.034 ( -2.199 -0.392 4.198) 4.755 10.046 ( 2.089 0.327 -0.224) 2.126 ======================= Grid point 88 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -1.212 -0.977 0.615) 1.674 0.790 ( 0.648 -0.015 -1.012) 1.202 0.893 ( 0.859 1.914 -2.392) 3.182 0.935 ( 0.868 1.274 0.109) 1.545 0.978 ( 0.136 0.817 1.652) 1.848 1.050 ( 2.523 -0.067 0.524) 2.578 1.070 ( -0.494 0.043 0.057) 0.499 1.121 ( 0.484 1.062 0.936) 1.496 1.176 ( 0.212 1.229 -0.856) 1.513 1.302 ( -1.549 0.657 1.033) 1.974 1.402 ( 0.573 0.870 3.323) 3.482 1.508 ( 1.827 0.354 -3.617) 4.068 1.547 ( -0.559 -3.095 -3.768) 4.908 1.640 ( 1.247 6.183 2.278) 6.706 1.758 ( 1.254 -2.015 -2.704) 3.598 1.865 ( 3.217 -3.326 5.815) 7.431 1.918 ( -2.713 -0.739 5.294) 5.995 2.014 ( -2.198 -0.024 0.590) 2.276 2.584 ( -4.188 4.550 -3.982) 7.355 2.602 ( 5.427 5.837 2.530) 8.362 2.767 ( 1.827 0.316 3.385) 3.860 2.886 ( 1.364 0.533 -5.021) 5.231 2.969 ( -4.366 1.210 -0.317) 4.542 3.053 ( -1.724 -0.398 3.615) 4.025 3.314 ( -2.565 4.764 -2.096) 5.802 3.509 ( 0.678 0.776 -4.101) 4.229 3.876 ( 1.665 -0.310 1.666) 2.376 3.964 ( -2.161 -0.208 1.257) 2.509 4.154 ( 2.615 -4.973 3.447) 6.592 4.216 ( 6.030 -0.587 -2.622) 6.602 4.416 ( -1.992 -2.060 -1.564) 3.265 4.556 ( -5.016 2.932 2.759) 6.431 4.805 ( 2.379 3.988 -4.483) 6.455 4.859 ( -0.665 0.191 -1.879) 2.002 6.511 ( 5.596 4.320 2.485) 7.493 6.593 ( 12.085 12.068 1.842) 17.178 6.907 ( -1.409 -0.430 -2.977) 3.322 6.994 ( -8.101 6.137 -0.164) 10.165 7.827 ( 1.010 2.796 -0.165) 2.978 7.931 ( 2.627 -2.768 1.437) 4.078 8.042 ( 0.473 0.318 -2.065) 2.142 8.151 ( 3.575 -1.302 -2.227) 4.409 8.284 ( -4.700 -1.333 3.074) 5.772 8.644 ( 0.147 -2.201 -3.964) 4.536 8.814 ( -1.379 -0.955 4.876) 5.156 9.166 ( 2.748 -0.892 -3.958) 4.900 9.223 ( 0.052 -0.828 1.106) 1.382 9.298 ( -1.692 0.050 1.573) 2.311 9.399 ( 0.180 -1.187 0.338) 1.247 9.643 ( 1.334 0.638 -0.138) 1.486 9.712 ( -0.786 -0.221 -2.367) 2.504 9.789 ( -2.869 -0.528 -2.601) 3.908 10.026 ( -2.712 -0.124 4.451) 5.214 10.061 ( 1.548 0.336 0.479) 1.655 ======================= Grid point 89 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -1.628 2.959 2.663) 4.301 0.812 ( 1.832 -0.317 -1.280) 2.257 0.855 ( 0.693 2.308 -1.343) 2.758 0.902 ( 1.508 4.103 -2.174) 4.882 0.971 ( -0.586 0.073 1.758) 1.855 1.062 ( -0.042 1.533 0.573) 1.637 1.073 ( 0.666 -0.584 -0.145) 0.898 1.118 ( -0.070 0.715 2.035) 2.158 1.169 ( -0.087 -0.528 -0.933) 1.076 1.294 ( -1.356 -0.609 1.817) 2.348 1.370 ( -1.860 3.435 4.193) 5.730 1.485 ( 0.971 2.883 -2.430) 3.894 1.556 ( 0.260 4.251 3.356) 5.422 1.610 ( 1.264 -3.544 -2.722) 4.644 1.781 ( 0.276 -0.910 -2.988) 3.136 1.904 ( -5.288 -1.210 1.125) 5.540 1.984 ( 2.709 -3.693 3.987) 6.072 2.016 ( 2.528 0.903 3.606) 4.495 2.329 ( -5.738 10.478 -2.372) 12.179 2.633 ( 2.675 1.465 2.652) 4.041 2.808 ( 1.159 -0.532 2.463) 2.773 2.859 ( 0.732 1.486 -6.102) 6.323 2.913 ( -3.375 -0.430 -0.955) 3.534 3.063 ( 0.287 -0.351 1.788) 1.845 3.213 ( 0.016 4.191 -0.202) 4.195 3.496 ( 2.081 0.032 -5.728) 6.095 3.887 ( 0.996 1.260 1.613) 2.276 3.945 ( -1.474 0.200 2.136) 2.603 4.245 ( -2.565 -4.288 6.615) 8.290 4.294 ( 4.910 0.944 -2.602) 5.636 4.401 ( -0.712 2.473 1.638) 3.051 4.510 ( -3.191 -4.066 -0.005) 5.168 4.736 ( 3.244 5.329 -2.957) 6.904 4.886 ( -1.409 -5.609 -5.735) 8.144 6.449 ( 0.601 12.338 4.172) 13.038 6.488 ( 0.588 8.739 6.249) 10.759 6.812 ( -0.922 6.039 -4.459) 7.563 6.909 ( 1.329 -1.505 -5.042) 5.427 7.779 ( -1.916 3.137 1.732) 4.064 7.976 ( -0.228 0.400 0.985) 1.087 8.029 ( 0.658 -0.715 -3.021) 3.174 8.178 ( 2.814 0.128 -9.043) 9.472 8.316 ( -1.508 -4.137 6.612) 7.944 8.672 ( 0.691 -2.216 -4.026) 4.647 8.831 ( -2.022 -1.034 5.274) 5.742 9.186 ( 1.519 -0.513 -4.224) 4.518 9.267 ( 2.208 -1.744 3.378) 4.396 9.301 ( -0.801 -1.326 2.334) 2.801 9.430 ( 0.861 -1.431 0.641) 1.789 9.648 ( 0.915 0.848 0.905) 1.542 9.697 ( -0.019 -0.220 -3.439) 3.447 9.763 ( -1.681 -1.110 -4.608) 5.029 10.011 ( -3.025 -0.107 4.458) 5.389 10.075 ( 0.945 0.027 1.289) 1.599 ======================= Grid point 90 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.280 4.534 4.776) 6.591 0.779 ( -1.234 6.278 2.122) 6.741 0.828 ( 0.900 4.528 -2.778) 5.388 0.838 ( 2.099 1.189 -2.759) 3.665 0.975 ( -1.116 -0.640 2.289) 2.626 1.014 ( -1.777 2.401 -0.204) 2.994 1.087 ( -0.401 0.743 2.568) 2.703 1.094 ( 0.812 0.543 -1.067) 1.447 1.189 ( 0.248 -1.842 0.312) 1.884 1.272 ( -1.035 3.269 6.205) 7.089 1.337 ( -1.283 -0.600 0.113) 1.420 1.431 ( 1.579 3.469 0.107) 3.813 1.512 ( -0.590 2.263 4.138) 4.753 1.684 ( 0.748 -4.076 -2.980) 5.104 1.782 ( 0.339 -0.948 -4.098) 4.220 1.845 ( -4.846 0.297 -2.804) 5.606 2.035 ( 5.395 3.476 5.559) 8.490 2.057 ( -1.272 -0.035 2.294) 2.624 2.182 ( -0.408 1.727 1.485) 2.314 2.633 ( 1.377 1.964 -1.098) 2.638 2.782 ( -1.761 2.209 0.429) 2.857 2.833 ( 0.521 1.227 -5.500) 5.660 2.905 ( -0.753 -1.634 -1.356) 2.253 3.071 ( 2.165 1.096 -0.301) 2.445 3.202 ( 2.419 0.085 3.900) 4.590 3.522 ( 3.367 -1.602 -4.140) 5.572 3.885 ( 1.578 0.513 1.245) 2.075 3.946 ( 0.367 0.081 1.722) 1.762 4.240 ( -2.709 2.315 0.008) 3.563 4.326 ( -2.502 -3.636 4.455) 6.271 4.362 ( -3.307 -0.781 2.177) 4.036 4.572 ( 1.212 -2.998 2.210) 3.917 4.691 ( 3.127 3.603 -1.832) 5.111 4.956 ( -0.945 -7.246 -7.955) 10.802 6.221 ( -3.513 11.803 5.613) 13.534 6.368 ( -3.687 6.770 6.608) 10.153 6.730 ( 8.342 7.694 -6.271) 12.966 6.937 ( 3.138 -0.514 -8.335) 8.921 7.702 ( -3.679 2.094 2.089) 4.721 7.944 ( -1.784 1.162 -0.255) 2.144 8.054 ( 1.576 -1.364 -2.756) 3.456 8.173 ( 3.812 0.890 -9.326) 10.114 8.388 ( -2.014 -3.807 5.505) 6.990 8.693 ( 0.607 -1.117 -3.755) 3.965 8.840 ( -3.022 -1.147 5.745) 6.592 9.191 ( 0.686 -0.548 -4.296) 4.385 9.330 ( 0.009 -2.377 2.123) 3.187 9.352 ( 1.108 -3.273 4.704) 5.836 9.458 ( -0.467 -0.882 1.957) 2.197 9.636 ( -0.246 1.115 0.426) 1.219 9.699 ( 1.472 -0.679 -3.939) 4.259 9.759 ( 1.190 -0.842 -4.315) 4.555 9.995 ( -2.847 -0.151 3.416) 4.449 10.088 ( 0.066 0.047 2.156) 2.157 ======================= Grid point 94 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -0.795 -0.000 1.484) 1.683 0.811 ( 2.033 0.000 2.172) 2.975 0.906 ( -0.949 -0.000 -0.775) 1.225 0.953 ( 4.080 0.000 0.074) 4.080 0.998 ( -0.520 -0.000 -0.924) 1.060 0.998 ( 3.263 0.000 -2.822) 4.314 1.096 ( -1.072 -0.000 0.242) 1.099 1.175 ( 0.615 0.000 1.655) 1.766 1.296 ( -1.843 -0.000 -2.689) 3.260 1.312 ( 2.668 0.000 1.949) 3.304 1.355 ( 2.764 0.000 -1.985) 3.403 1.450 ( 0.841 0.000 0.989) 1.298 1.499 ( -0.962 -0.000 -6.492) 6.563 1.700 ( 3.099 0.000 -5.081) 5.952 1.758 ( -0.990 -0.000 8.521) 8.578 1.839 ( -1.268 -0.000 0.240) 1.290 1.894 ( -2.651 -0.000 8.380) 8.790 2.048 ( -6.170 -0.000 2.004) 6.487 2.472 ( 8.076 0.000 0.303) 8.082 2.830 ( 9.989 0.000 -7.409) 12.436 2.863 ( -0.441 -0.000 7.422) 7.435 2.902 ( 5.232 0.000 1.492) 5.441 2.947 ( 6.559 0.000 -2.205) 6.920 3.041 ( -0.655 -0.000 3.230) 3.295 3.326 ( 3.698 0.000 -3.134) 4.847 3.529 ( -0.780 -0.000 -2.776) 2.883 3.920 ( -8.519 -0.000 1.980) 8.746 4.010 ( -1.053 -0.000 3.114) 3.287 4.059 ( -5.020 -0.000 0.027) 5.020 4.136 ( -6.681 -0.000 -4.019) 7.797 4.276 ( 4.960 0.000 -4.872) 6.953 4.789 ( 5.644 0.000 -10.289) 11.735 4.804 ( -5.410 -0.000 9.808) 11.201 5.074 ( 0.380 0.000 -0.019) 0.380 6.560 ( 4.640 0.000 1.952) 5.034 6.855 ( 5.559 0.000 -6.889) 8.852 6.904 ( 12.066 0.000 1.453) 12.153 7.030 ( 14.160 0.000 4.585) 14.884 7.740 ( -1.327 -0.000 -1.815) 2.249 7.966 ( 1.140 0.000 -3.653) 3.827 8.041 ( -2.284 -0.000 3.486) 4.167 8.132 ( 2.682 0.000 -2.059) 3.381 8.287 ( -6.684 -0.000 4.777) 8.216 8.613 ( -0.427 -0.000 -4.199) 4.221 8.790 ( -2.173 -0.000 4.856) 5.320 9.122 ( 1.763 0.000 -4.922) 5.228 9.223 ( -2.219 -0.000 -0.450) 2.264 9.343 ( -0.863 -0.000 -0.076) 0.866 9.361 ( -4.242 -0.000 2.593) 4.972 9.674 ( 2.108 0.000 -0.539) 2.176 9.679 ( -1.024 -0.000 -0.517) 1.147 9.846 ( -3.930 -0.000 -0.937) 4.040 10.027 ( -0.932 -0.000 3.071) 3.209 10.049 ( 2.096 0.000 -0.358) 2.126 ======================= Grid point 95 (44/93) ======================= q-point: ( 0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.349 -3.786 2.587) 4.598 0.834 ( 0.858 0.788 0.590) 1.306 0.890 ( -0.274 -0.420 -1.077) 1.188 0.965 ( 0.087 1.637 -0.901) 1.870 0.997 ( 2.651 -0.102 0.762) 2.760 1.031 ( 0.419 -0.920 -0.113) 1.017 1.093 ( 0.529 0.233 -0.445) 0.730 1.174 ( 0.413 1.707 2.843) 3.342 1.243 ( -1.314 1.906 -2.843) 3.666 1.334 ( 0.393 0.848 1.405) 1.687 1.412 ( 2.041 -2.373 -1.261) 3.375 1.446 ( -0.388 0.225 0.879) 0.986 1.483 ( 1.204 -1.407 -8.234) 8.440 1.699 ( 1.568 -0.760 -6.569) 6.797 1.795 ( 0.522 2.036 5.956) 6.316 1.816 ( 0.028 0.337 6.044) 6.054 1.909 ( -1.486 -0.130 9.356) 9.474 1.992 ( -5.442 -0.713 1.840) 5.789 2.564 ( 6.802 -0.752 -0.513) 6.863 2.795 ( -6.966 1.920 -1.507) 7.381 2.849 ( 3.837 1.737 -8.385) 9.383 2.932 ( 4.603 2.775 0.973) 5.463 3.035 ( 1.565 2.271 2.296) 3.589 3.058 ( 1.471 0.368 4.608) 4.851 3.397 ( 5.986 -0.434 -3.497) 6.946 3.516 ( -0.325 -0.381 0.608) 0.787 3.813 ( -7.464 -1.034 2.785) 8.033 3.992 ( -0.514 2.030 -1.572) 2.618 4.033 ( -0.361 -1.994 3.482) 4.028 4.122 ( -3.764 -5.544 -4.317) 7.971 4.320 ( 3.956 -0.635 -4.718) 6.190 4.725 ( -2.901 4.684 3.334) 6.440 4.815 ( 0.381 -0.415 -4.098) 4.136 5.043 ( 1.149 4.651 -0.302) 4.800 6.597 ( 3.288 1.220 2.063) 4.069 6.880 ( 2.658 0.496 -5.574) 6.195 6.960 ( 11.299 7.357 3.378) 13.900 7.155 ( 1.300 2.238 2.587) 3.660 7.763 ( 0.894 -4.050 -0.848) 4.233 7.952 ( -0.679 1.719 -0.930) 2.069 8.016 ( 1.402 -0.047 -0.096) 1.406 8.151 ( 1.248 0.206 -2.080) 2.435 8.243 ( -6.399 -1.148 4.413) 7.857 8.599 ( 0.223 -0.453 -4.386) 4.415 8.790 ( -1.434 -0.422 4.693) 4.926 9.139 ( 3.237 -0.599 -4.263) 5.386 9.208 ( -0.544 -0.166 0.679) 0.886 9.314 ( -2.256 0.870 1.579) 2.889 9.354 ( -1.532 -1.445 1.332) 2.492 9.666 ( 0.696 0.633 -0.398) 1.022 9.699 ( 1.200 -0.459 -2.045) 2.415 9.792 ( -3.914 0.331 -1.346) 4.153 10.026 ( -1.311 0.031 2.854) 3.141 10.068 ( 1.367 0.038 0.095) 1.371 ======================= Grid point 96 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 1.176 -3.629 1.655) 4.158 0.808 ( 0.104 1.993 -1.012) 2.238 0.911 ( 1.164 -1.208 -1.039) 1.974 0.939 ( -0.576 0.881 -0.037) 1.053 1.014 ( 0.318 0.794 1.176) 1.454 1.048 ( 0.022 -0.792 0.853) 1.165 1.086 ( 0.316 1.311 0.875) 1.607 1.160 ( 0.798 1.704 2.217) 2.908 1.192 ( -1.075 1.523 -2.228) 2.905 1.303 ( -1.468 1.309 -0.055) 1.968 1.418 ( -1.548 0.282 0.764) 1.749 1.476 ( -0.528 -2.286 -3.167) 3.941 1.508 ( 3.090 -1.603 -4.240) 5.486 1.722 ( 0.609 -0.595 -1.830) 2.019 1.756 ( 2.207 3.001 0.147) 3.728 1.869 ( -1.024 -1.698 6.344) 6.647 1.907 ( -0.671 0.815 5.081) 5.190 1.988 ( -1.511 -1.841 6.653) 7.067 2.589 ( -5.297 4.040 -2.695) 7.186 2.683 ( 0.090 0.715 -2.176) 2.292 2.826 ( 1.864 0.864 -6.254) 6.583 2.908 ( -2.728 0.916 -2.884) 4.074 2.988 ( 1.628 5.908 6.042) 8.606 3.074 ( 1.487 1.254 4.255) 4.679 3.372 ( 1.045 4.765 -1.420) 5.081 3.520 ( 1.368 0.702 -3.429) 3.759 3.847 ( -2.258 -4.625 3.142) 6.030 3.964 ( 0.761 1.290 -0.189) 1.510 4.080 ( -4.071 -4.595 3.358) 6.997 4.217 ( 6.287 -6.997 -5.186) 10.742 4.346 ( 1.804 -0.325 -2.808) 3.353 4.606 ( -4.511 6.077 3.609) 8.385 4.797 ( -1.081 -0.182 -4.266) 4.404 4.959 ( 2.215 6.960 -1.457) 7.448 6.607 ( 0.007 1.804 3.049) 3.543 6.848 ( -1.371 3.610 -2.839) 4.792 6.949 ( 4.901 7.942 2.647) 9.701 7.031 ( -2.050 7.045 -0.069) 7.338 7.821 ( -1.633 -1.947 -1.032) 2.743 7.948 ( 2.102 -0.129 3.321) 3.932 8.045 ( 0.845 -0.315 -2.186) 2.365 8.144 ( -0.868 -1.360 -6.709) 6.900 8.222 ( -2.338 -1.128 7.050) 7.512 8.604 ( 1.052 -1.339 -4.593) 4.899 8.804 ( -1.164 -0.692 4.755) 4.945 9.170 ( 2.639 -0.617 -4.561) 5.305 9.229 ( 2.298 -0.679 1.829) 3.014 9.288 ( -1.593 0.440 2.226) 2.772 9.374 ( -0.530 -1.772 1.473) 2.364 9.668 ( 1.144 0.498 0.453) 1.327 9.704 ( 1.436 -0.148 -4.879) 5.088 9.742 ( -2.982 0.335 -1.306) 3.272 10.017 ( -1.809 0.255 2.980) 3.495 10.080 ( 0.756 0.116 0.692) 1.032 ======================= Grid point 97 (46/93) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.523 1.631 1.157) 2.067 0.798 ( 1.030 -1.915 -2.088) 3.015 0.910 ( 1.105 2.263 -0.458) 2.560 0.937 ( 0.303 0.060 -0.957) 1.006 0.992 ( -0.468 1.757 1.438) 2.318 1.058 ( -0.502 -0.200 -0.744) 0.920 1.070 ( -1.967 0.008 2.563) 3.231 1.150 ( -0.468 1.325 0.076) 1.408 1.161 ( 0.545 0.422 0.766) 1.030 1.281 ( -0.855 0.053 1.467) 1.699 1.382 ( -3.574 0.851 0.322) 3.688 1.496 ( -0.426 -2.757 -4.164) 5.013 1.538 ( 1.219 0.233 -1.223) 1.743 1.677 ( -0.840 4.363 4.821) 6.556 1.766 ( 1.493 -0.247 -3.917) 4.200 1.842 ( -3.299 0.549 -0.430) 3.372 1.973 ( 1.749 -2.707 5.085) 6.021 2.043 ( 0.533 -1.562 7.908) 8.078 2.380 ( -7.958 6.308 -2.571) 10.476 2.693 ( 1.727 1.006 -1.235) 2.349 2.824 ( -0.954 -0.510 -1.045) 1.504 2.861 ( -0.878 -0.825 -4.576) 4.732 2.928 ( 1.650 5.621 2.874) 6.525 3.089 ( 1.709 0.791 2.780) 3.358 3.309 ( 4.317 5.314 -0.760) 6.888 3.514 ( 3.066 0.848 -4.611) 5.602 3.876 ( -3.649 -2.354 1.736) 4.677 3.964 ( 2.188 1.120 1.291) 2.777 4.111 ( -7.410 -5.859 1.359) 9.543 4.348 ( 3.006 0.883 -1.780) 3.603 4.415 ( 5.900 -6.736 -0.786) 8.989 4.457 ( -5.840 6.111 2.890) 8.933 4.778 ( -2.501 -2.365 -5.269) 6.294 4.872 ( 3.989 6.707 -1.477) 7.942 6.537 ( -6.282 3.975 3.443) 8.192 6.621 ( -12.562 10.521 2.086) 16.518 6.912 ( 3.645 0.439 -2.967) 4.720 6.983 ( 9.802 7.565 -0.448) 12.390 7.782 ( -4.706 1.819 0.075) 5.046 7.974 ( -1.871 -0.407 1.614) 2.505 8.034 ( 1.921 0.510 -1.900) 2.749 8.136 ( -1.358 -2.352 -5.020) 5.708 8.278 ( 0.781 -2.320 5.040) 5.603 8.633 ( 1.783 -2.080 -4.336) 5.129 8.817 ( -1.487 -0.497 4.862) 5.108 9.184 ( 1.869 -0.178 -4.503) 4.879 9.272 ( 0.512 -0.982 0.958) 1.464 9.289 ( 0.895 -0.623 3.085) 3.272 9.408 ( -0.299 -1.792 1.830) 2.579 9.668 ( -0.785 0.540 0.674) 1.167 9.710 ( 3.111 1.170 -4.339) 5.466 9.717 ( 0.899 -1.454 -3.290) 3.708 9.999 ( -2.326 0.396 3.124) 3.915 10.088 ( 0.218 0.053 1.651) 1.666 ======================= Grid point 98 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.143 2.054 2.268) 3.064 0.842 ( 1.736 -0.970 -2.066) 2.867 0.870 ( 0.394 4.243 0.220) 4.267 0.906 ( 0.589 2.837 -2.888) 4.091 0.971 ( -0.870 0.640 1.913) 2.196 1.009 ( -4.648 1.635 -0.149) 4.930 1.075 ( 0.146 -0.738 0.143) 0.766 1.127 ( 0.109 0.493 -0.346) 0.612 1.178 ( 0.945 -0.244 2.366) 2.560 1.290 ( -0.929 -1.245 3.630) 3.949 1.321 ( -3.244 1.532 -0.304) 3.601 1.503 ( 1.196 1.925 -1.458) 2.695 1.528 ( -1.737 -0.113 0.097) 1.743 1.638 ( -0.396 -0.161 2.472) 2.508 1.763 ( 0.259 0.001 -2.364) 2.378 1.798 ( -1.796 0.687 -1.831) 2.656 2.022 ( -2.427 -1.143 1.969) 3.328 2.090 ( -0.561 -1.346 5.090) 5.295 2.263 ( 1.777 3.210 2.459) 4.417 2.675 ( 0.384 1.834 -2.818) 3.384 2.803 ( -3.794 -0.647 2.358) 4.513 2.858 ( 2.216 2.171 -4.373) 5.362 2.893 ( 3.462 1.335 -0.885) 3.815 3.104 ( 1.470 0.369 1.040) 1.838 3.298 ( 7.099 4.283 0.975) 8.348 3.534 ( 3.763 -0.329 -3.643) 5.248 3.879 ( -1.402 -1.746 0.539) 2.303 3.978 ( 1.857 0.958 1.870) 2.804 4.110 ( -10.087 -5.951 -0.498) 11.722 4.307 ( -5.478 4.748 2.003) 7.521 4.358 ( 0.985 -0.149 0.681) 1.207 4.555 ( 3.269 -3.398 2.608) 5.389 4.771 ( -0.239 0.138 -4.196) 4.205 4.843 ( 3.072 -0.107 -3.694) 4.806 6.328 ( -8.438 8.343 1.614) 11.976 6.406 ( -8.031 3.888 3.390) 9.545 6.949 ( 5.255 0.780 -4.155) 6.745 6.970 ( 9.444 6.861 -1.493) 11.768 7.687 ( -4.768 1.688 0.508) 5.083 7.941 ( -2.360 1.198 0.012) 2.646 8.055 ( 2.113 -0.236 -1.101) 2.394 8.156 ( 0.180 -2.331 -4.234) 4.837 8.329 ( -1.710 -2.476 4.319) 5.264 8.670 ( 1.639 -1.487 -3.547) 4.181 8.821 ( -1.972 -0.227 4.891) 5.278 9.184 ( 1.183 0.320 -4.435) 4.601 9.296 ( -0.694 -1.921 1.658) 2.631 9.333 ( 0.774 -1.740 1.710) 2.560 9.425 ( -1.944 -1.180 0.609) 2.354 9.644 ( -1.428 0.542 -0.205) 1.541 9.719 ( 2.869 0.355 -1.290) 3.166 9.764 ( 5.243 -0.645 -4.425) 6.891 9.978 ( -2.271 0.130 2.751) 3.570 10.095 ( -0.615 -0.018 2.990) 3.053 ======================= Grid point 103 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 1.264 0.000 5.021) 5.178 0.855 ( 0.823 0.000 -0.364) 0.900 0.873 ( -0.796 -0.000 -0.060) 0.799 0.966 ( -1.051 -0.000 -1.592) 1.907 1.025 ( 1.270 0.000 1.331) 1.839 1.025 ( -0.024 -0.000 0.184) 0.185 1.108 ( 1.841 0.000 -0.296) 1.865 1.205 ( 0.065 0.000 4.267) 4.267 1.219 ( -2.166 -0.000 -4.523) 5.015 1.350 ( -2.476 -0.000 -0.579) 2.543 1.388 ( 0.670 0.000 -1.831) 1.949 1.448 ( 0.795 0.000 0.864) 1.174 1.474 ( 3.002 0.000 -6.513) 7.172 1.689 ( 2.472 0.000 -5.896) 6.394 1.833 ( 0.433 0.000 2.438) 2.476 1.834 ( -2.679 -0.000 8.748) 9.149 1.942 ( -2.390 -0.000 2.755) 3.647 1.943 ( 0.067 0.000 11.617) 11.617 2.629 ( 5.090 0.000 -1.030) 5.193 2.711 ( -7.899 -0.000 -1.985) 8.145 2.837 ( -0.068 -0.000 -9.930) 9.930 2.933 ( -4.463 -0.000 -4.720) 6.496 3.094 ( 1.367 0.000 5.240) 5.415 3.130 ( 0.791 0.000 4.040) 4.116 3.496 ( 8.970 0.000 -0.582) 8.989 3.510 ( 0.250 0.000 0.555) 0.609 3.704 ( -7.125 -0.000 4.069) 8.205 3.979 ( -3.409 -0.000 -0.861) 3.516 4.027 ( 0.649 0.000 -1.015) 1.205 4.054 ( 4.078 0.000 -1.461) 4.332 4.353 ( 4.891 0.000 -6.406) 8.060 4.737 ( -7.087 -0.000 10.626) 12.772 4.795 ( 2.310 0.000 -11.627) 11.854 5.094 ( 0.870 0.000 0.430) 0.971 6.625 ( -0.665 -0.000 2.450) 2.539 6.874 ( 0.107 0.000 -5.184) 5.185 7.133 ( 4.553 0.000 5.212) 6.920 7.198 ( -3.093 -0.000 1.290) 3.351 7.727 ( 1.165 0.000 -0.033) 1.166 7.978 ( 4.420 0.000 -3.463) 5.615 8.002 ( -2.717 -0.000 1.788) 3.253 8.123 ( -3.503 -0.000 -5.087) 6.176 8.216 ( -1.128 -0.000 6.256) 6.356 8.586 ( 1.053 0.000 -4.511) 4.633 8.790 ( -0.929 -0.000 4.665) 4.757 9.156 ( 3.252 0.000 -4.745) 5.753 9.218 ( 2.071 0.000 1.516) 2.566 9.316 ( -1.936 -0.000 5.723) 6.042 9.324 ( -0.393 -0.000 -1.346) 1.402 9.677 ( 0.782 0.000 0.490) 0.923 9.699 ( 0.008 0.000 -3.939) 3.939 9.754 ( -1.534 -0.000 -1.332) 2.031 10.021 ( -1.356 -0.000 2.194) 2.579 10.080 ( 0.683 0.000 0.454) 0.820 ======================= Grid point 104 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 1.329 -2.839 3.846) 4.961 0.838 ( -0.036 1.455 -1.353) 1.987 0.887 ( -0.201 -1.473 1.129) 1.867 0.942 ( -1.211 0.376 -1.436) 1.916 1.018 ( -0.604 0.343 0.313) 0.762 1.042 ( 0.019 -0.494 0.664) 0.828 1.117 ( 0.515 1.193 0.771) 1.511 1.179 ( -1.541 0.269 -3.953) 4.251 1.205 ( -0.292 1.730 4.353) 4.693 1.298 ( -2.573 0.512 -2.018) 3.310 1.380 ( -2.426 -0.297 -2.071) 3.203 1.453 ( -0.027 0.026 -1.315) 1.316 1.507 ( 3.349 -1.102 -3.119) 4.707 1.714 ( 2.374 -0.797 -2.367) 3.446 1.800 ( -3.737 0.600 0.788) 3.866 1.855 ( 1.464 0.174 3.682) 3.966 1.950 ( 1.346 0.823 5.495) 5.716 1.994 ( 0.168 -0.691 11.787) 11.808 2.542 ( -10.647 3.202 -3.704) 11.719 2.711 ( 3.779 0.345 0.656) 3.851 2.792 ( -3.254 -1.272 -6.783) 7.630 2.853 ( -3.379 0.175 -5.957) 6.850 3.082 ( -3.031 2.990 4.242) 6.010 3.126 ( -0.274 0.522 3.980) 4.023 3.471 ( -0.012 3.598 -1.173) 3.784 3.525 ( -1.084 -0.747 0.757) 1.519 3.759 ( 3.607 -2.336 0.747) 4.362 3.975 ( -0.386 -1.847 -0.068) 1.888 4.017 ( 0.771 1.443 0.339) 1.671 4.170 ( 7.425 -6.278 -1.676) 9.867 4.375 ( 4.015 0.492 -6.530) 7.682 4.654 ( -6.370 4.565 7.593) 10.912 4.766 ( -1.068 0.334 -7.738) 7.818 5.072 ( 1.477 3.949 -0.086) 4.217 6.604 ( -4.563 0.679 2.376) 5.189 6.835 ( -3.616 1.498 -3.824) 5.472 7.031 ( -9.675 6.973 1.396) 12.008 7.175 ( 2.010 1.949 3.707) 4.646 7.768 ( 0.575 -1.811 -0.268) 1.919 7.965 ( -2.565 0.857 2.042) 3.389 8.044 ( 2.226 -0.313 -0.890) 2.417 8.066 ( -1.445 -1.981 -6.921) 7.343 8.239 ( 1.051 -0.165 5.867) 5.963 8.590 ( 1.992 -0.466 -4.549) 4.988 8.802 ( -0.605 -0.306 4.641) 4.690 9.173 ( 2.509 -0.308 -4.712) 5.347 9.256 ( 2.644 -0.200 0.313) 2.670 9.301 ( 0.151 1.017 1.544) 1.855 9.353 ( 0.698 -1.504 4.530) 4.824 9.668 ( -2.507 -0.390 -3.667) 4.459 9.692 ( 1.529 0.021 0.792) 1.722 9.748 ( 2.176 0.730 -2.916) 3.711 10.010 ( -1.747 0.166 2.005) 2.665 10.088 ( 0.184 -0.058 1.039) 1.057 ======================= Grid point 105 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 0.917 -3.554 0.473) 3.700 0.796 ( -0.427 2.878 -1.544) 3.294 0.913 ( -0.975 -0.904 0.106) 1.334 0.928 ( -1.347 -1.607 0.172) 2.103 1.001 ( -0.641 0.600 -0.807) 1.192 1.036 ( -3.008 0.606 0.461) 3.103 1.085 ( -0.889 1.860 3.068) 3.696 1.149 ( -0.544 0.531 -2.077) 2.212 1.187 ( -0.618 0.963 2.480) 2.731 1.277 ( -1.300 -0.672 0.344) 1.504 1.336 ( -3.271 0.355 -1.892) 3.796 1.449 ( -0.171 -0.709 -2.119) 2.241 1.540 ( 1.269 -0.720 -2.501) 2.895 1.704 ( -4.924 0.999 4.492) 6.740 1.777 ( 2.989 0.243 -6.512) 7.169 1.868 ( 1.940 2.715 2.166) 3.978 1.975 ( 0.068 -0.376 4.765) 4.780 2.053 ( -0.282 -1.165 8.939) 9.019 2.358 ( -7.840 3.041 -0.209) 8.411 2.712 ( -0.916 -0.100 -3.764) 3.875 2.764 ( -3.423 -0.737 1.352) 3.754 2.846 ( 3.015 -1.246 -4.932) 5.914 3.004 ( -3.195 3.047 1.906) 4.809 3.124 ( -0.031 0.824 2.503) 2.635 3.427 ( 1.418 1.512 -2.356) 3.138 3.532 ( -1.345 -1.213 0.614) 1.912 3.804 ( 2.521 0.058 -1.127) 2.762 3.990 ( -2.488 -0.925 -0.377) 2.681 4.015 ( 2.901 0.981 0.257) 3.074 4.351 ( 1.660 -3.504 0.545) 3.915 4.405 ( 8.005 -3.013 -4.799) 9.808 4.506 ( -6.792 6.696 4.249) 10.441 4.711 ( -3.122 0.087 -4.684) 5.630 5.015 ( 3.137 5.625 -0.388) 6.452 6.502 ( -9.531 2.406 1.425) 9.933 6.614 ( -15.336 8.692 -0.267) 17.630 6.942 ( 1.767 -0.579 -1.508) 2.395 7.165 ( 1.767 3.127 2.404) 4.322 7.756 ( -3.479 1.685 -1.091) 4.017 7.922 ( -4.122 -1.130 1.663) 4.586 8.052 ( 1.064 -1.673 -1.483) 2.476 8.091 ( 1.737 0.157 -2.913) 3.395 8.285 ( 1.578 -0.639 4.288) 4.614 8.616 ( 2.896 -1.293 -4.020) 5.120 8.817 ( -0.746 -0.150 4.547) 4.610 9.188 ( 2.383 -0.190 -4.932) 5.481 9.270 ( -0.107 0.220 1.404) 1.426 9.308 ( 1.505 -0.057 -0.275) 1.531 9.401 ( 1.193 -0.229 3.725) 3.918 9.639 ( -2.154 -0.751 -2.332) 3.263 9.722 ( 2.351 -0.526 1.112) 2.653 9.759 ( 4.839 0.703 -4.269) 6.491 9.990 ( -2.264 0.412 2.078) 3.101 10.094 ( -0.275 -0.029 2.052) 2.071 ======================= Grid point 106 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -1.606 2.603 0.821) 3.166 0.795 ( -0.641 -4.630 -1.594) 4.938 0.905 ( -0.826 -0.355 -2.217) 2.392 0.915 ( -3.266 0.841 -2.412) 4.146 0.975 ( -4.062 0.642 4.136) 5.833 0.989 ( 0.925 1.123 -0.837) 1.679 1.077 ( 0.085 0.587 2.192) 2.271 1.133 ( 0.660 0.686 -0.784) 1.233 1.182 ( -1.632 -0.690 0.206) 1.783 1.279 ( -2.338 -1.039 2.487) 3.569 1.301 ( 0.183 0.818 0.311) 0.894 1.463 ( -0.489 -2.255 -1.052) 2.536 1.537 ( -0.675 0.325 -2.258) 2.379 1.640 ( -3.612 1.245 1.230) 4.014 1.780 ( 2.136 1.008 -3.061) 3.866 1.834 ( 1.592 4.013 1.762) 4.663 1.979 ( -3.384 -0.819 1.680) 3.866 2.075 ( -1.207 -0.661 3.288) 3.564 2.317 ( 1.075 -0.387 5.676) 5.790 2.688 ( -1.115 0.010 -4.225) 4.370 2.747 ( -2.553 -0.255 2.905) 3.876 2.883 ( 3.732 -0.037 -5.358) 6.529 2.945 ( -0.779 1.185 2.228) 2.641 3.124 ( 0.209 0.232 1.479) 1.512 3.431 ( 2.685 0.258 -2.572) 3.727 3.536 ( -2.272 -1.517 0.360) 2.756 3.832 ( 3.137 -0.483 -1.446) 3.488 3.963 ( -2.581 -0.179 -1.439) 2.960 4.022 ( 1.062 1.514 0.179) 1.858 4.330 ( -6.279 4.554 4.136) 8.790 4.367 ( -0.488 0.787 -1.279) 1.579 4.548 ( 3.608 -3.246 1.408) 5.054 4.688 ( -0.836 -3.172 -5.329) 6.257 4.960 ( 3.825 5.908 -0.047) 7.039 6.331 ( -11.586 5.074 0.091) 12.649 6.358 ( -8.501 2.030 0.484) 8.753 6.982 ( 3.169 -0.387 -2.332) 3.954 7.136 ( 1.257 2.984 0.795) 3.334 7.665 ( -3.904 1.832 -0.175) 4.316 7.922 ( -1.492 -0.852 1.171) 2.079 8.080 ( 1.178 1.203 -0.608) 1.790 8.103 ( 1.115 -2.636 -2.715) 3.945 8.311 ( -0.147 0.019 3.224) 3.227 8.659 ( 2.692 -1.266 -2.913) 4.163 8.822 ( -1.059 0.252 4.442) 4.573 9.192 ( 1.879 0.532 -5.075) 5.437 9.273 ( -0.564 -0.540 1.291) 1.509 9.324 ( 0.562 -0.516 -0.310) 0.824 9.406 ( -0.410 0.640 0.716) 1.044 9.623 ( -1.331 -0.482 -1.336) 1.947 9.749 ( 1.528 0.393 1.054) 1.897 9.815 ( 6.847 -0.296 -3.833) 7.852 9.965 ( -2.167 0.187 2.136) 3.049 10.097 ( -1.167 0.064 3.602) 3.787 ======================= Grid point 112 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.175 0.000 4.644) 4.647 0.831 ( -2.181 -0.000 1.037) 2.415 0.877 ( -0.425 -0.000 -1.097) 1.176 0.919 ( -2.204 -0.000 -1.213) 2.515 1.013 ( -0.587 -0.000 -1.088) 1.236 1.040 ( -0.369 -0.000 0.318) 0.488 1.135 ( -0.385 -0.000 1.003) 1.074 1.149 ( -0.849 -0.000 -4.113) 4.199 1.230 ( -1.723 -0.000 5.411) 5.679 1.245 ( -3.570 -0.000 -4.369) 5.642 1.359 ( -0.668 -0.000 -2.300) 2.395 1.442 ( -0.632 -0.000 -2.814) 2.884 1.523 ( 2.012 0.000 -0.899) 2.203 1.709 ( -6.514 -0.000 7.104) 9.638 1.769 ( 4.243 0.000 -7.539) 8.651 1.909 ( 3.569 0.000 4.431) 5.690 1.996 ( 1.854 0.000 4.214) 4.604 2.031 ( -0.930 -0.000 10.831) 10.871 2.440 ( -10.879 -0.000 -1.925) 11.048 2.666 ( -8.571 -0.000 -6.469) 10.738 2.771 ( 3.213 0.000 3.720) 4.915 2.816 ( 0.495 0.000 -6.155) 6.175 3.047 ( -7.382 -0.000 2.762) 7.881 3.140 ( -0.351 -0.000 3.846) 3.862 3.404 ( -9.776 -0.000 0.176) 9.778 3.521 ( 1.313 0.000 -3.471) 3.711 3.868 ( 9.889 0.000 0.097) 9.890 3.960 ( 0.771 0.000 0.013) 0.771 4.079 ( 5.324 0.000 0.811) 5.385 4.175 ( 6.165 0.000 -0.892) 6.229 4.395 ( 4.115 0.000 -8.268) 9.235 4.662 ( -6.595 -0.000 12.371) 14.019 4.717 ( -1.704 -0.000 -11.299) 11.427 5.113 ( 0.493 0.000 -0.067) 0.498 6.556 ( -7.297 -0.000 1.852) 7.529 6.793 ( -3.901 -0.000 -4.141) 5.689 6.959 ( -15.309 -0.000 0.322) 15.312 7.143 ( -7.040 -0.000 5.404) 8.875 7.788 ( 3.447 0.000 -0.292) 3.460 7.958 ( -2.023 -0.000 1.619) 2.591 7.973 ( -4.983 -0.000 -5.767) 7.622 8.092 ( 5.261 0.000 -2.027) 5.638 8.277 ( 2.174 0.000 5.835) 6.227 8.597 ( 2.750 0.000 -4.356) 5.152 8.813 ( -0.167 -0.000 4.494) 4.497 9.183 ( 2.712 0.000 -4.725) 5.448 9.284 ( 1.998 0.000 0.937) 2.207 9.305 ( -0.231 -0.000 -1.979) 1.992 9.400 ( 4.542 0.000 7.453) 8.728 9.620 ( -2.469 -0.000 -3.320) 4.137 9.716 ( 1.835 0.000 1.579) 2.421 9.771 ( 3.028 0.000 -3.998) 5.015 9.996 ( -2.068 -0.000 1.403) 2.499 10.092 ( -0.113 -0.000 1.633) 1.637 ======================= Grid point 113 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -2.468 -1.742 2.012) 3.630 0.808 ( -4.923 -0.436 1.978) 5.323 0.864 ( -1.480 -0.863 -3.123) 3.562 0.890 ( -1.844 -0.297 -0.955) 2.098 0.990 ( -1.826 1.135 -1.347) 2.538 1.031 ( -1.119 0.332 0.789) 1.409 1.104 ( -2.143 1.215 1.920) 3.123 1.135 ( 0.127 -0.396 -2.861) 2.891 1.202 ( -2.325 1.544 2.575) 3.797 1.217 ( -2.943 -1.780 -2.325) 4.152 1.337 ( 0.265 1.186 -0.052) 1.217 1.433 ( -0.169 -0.815 -2.728) 2.852 1.538 ( 0.940 -0.160 -0.995) 1.378 1.652 ( -7.476 -0.536 5.745) 9.444 1.802 ( 5.205 0.620 -6.719) 8.522 1.952 ( 3.143 1.830 4.145) 5.514 1.997 ( -1.846 2.301 2.574) 3.915 2.053 ( -1.676 -1.083 5.700) 6.039 2.308 ( -7.421 0.637 2.159) 7.755 2.601 ( -5.114 -3.420 -3.395) 7.026 2.787 ( 1.212 1.489 2.214) 2.931 2.842 ( 2.429 -1.758 -0.496) 3.039 2.981 ( -4.644 0.091 0.349) 4.658 3.140 ( -0.916 0.536 2.662) 2.866 3.316 ( -9.729 -3.306 -1.654) 10.408 3.520 ( 1.759 0.298 -3.938) 4.323 3.910 ( 4.402 3.184 -0.707) 5.479 3.992 ( 2.977 -0.593 -1.328) 3.313 4.098 ( 5.865 4.504 0.816) 7.440 4.303 ( 2.808 -5.037 -0.998) 5.853 4.430 ( 6.551 -1.623 -5.831) 8.919 4.559 ( -6.598 6.867 5.150) 10.827 4.664 ( -3.522 0.109 -2.985) 4.618 5.103 ( 1.240 1.729 -0.343) 2.156 6.426 ( -12.303 2.612 0.559) 12.589 6.587 ( -14.320 9.951 -1.174) 17.477 6.889 ( -2.335 -5.689 -1.562) 6.344 7.106 ( -9.645 -4.372 3.327) 11.100 7.771 ( -1.529 4.189 -2.615) 5.170 7.896 ( -1.039 0.204 1.385) 1.743 7.992 ( -0.773 -4.097 -2.657) 4.944 8.125 ( 2.473 0.803 -1.379) 2.943 8.326 ( 2.865 0.389 4.615) 5.446 8.622 ( 3.389 -0.713 -3.690) 5.061 8.828 ( -0.128 0.097 4.300) 4.303 9.197 ( 2.793 -0.010 -4.916) 5.654 9.285 ( 0.102 0.872 -0.042) 0.879 9.317 ( 1.457 -0.344 0.143) 1.504 9.462 ( 3.867 2.143 4.358) 6.208 9.596 ( -1.313 -0.964 -2.194) 2.733 9.747 ( 2.072 -0.293 1.917) 2.837 9.799 ( 4.610 -0.588 -3.973) 6.114 9.974 ( -2.521 0.134 1.192) 2.792 10.098 ( -0.342 -0.011 2.636) 2.658 ======================= Grid point 114 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -7.609 -3.199 0.507) 8.269 0.733 ( -6.701 -0.711 0.764) 6.782 0.840 ( -2.573 -1.157 -5.277) 5.984 0.882 ( -0.547 -0.162 -1.412) 1.523 0.957 ( -1.799 -0.411 4.111) 4.507 1.019 ( 0.162 0.651 0.335) 0.750 1.100 ( -0.303 0.115 3.261) 3.277 1.133 ( -0.792 -0.354 -2.045) 2.221 1.160 ( -0.758 1.149 1.407) 1.968 1.220 ( -2.763 -3.177 -0.536) 4.244 1.341 ( 1.827 0.781 2.558) 3.239 1.431 ( -0.762 -0.482 -1.325) 1.603 1.530 ( -0.617 1.942 -2.019) 2.868 1.603 ( -4.243 -1.063 1.638) 4.670 1.812 ( 3.455 0.932 -5.892) 6.894 1.933 ( -2.400 0.899 1.042) 2.766 1.947 ( 0.741 3.702 4.401) 5.799 2.066 ( -0.831 -0.578 1.263) 1.619 2.299 ( -3.064 -3.637 5.008) 6.906 2.608 ( -1.868 -2.784 -2.321) 4.078 2.782 ( 0.567 2.147 4.100) 4.663 2.900 ( 3.303 -1.508 -0.630) 3.685 2.941 ( -1.893 0.308 -0.811) 2.082 3.129 ( -0.903 0.212 1.326) 1.618 3.282 ( -9.766 -6.227 -0.884) 11.616 3.524 ( 2.080 0.204 -4.288) 4.770 3.892 ( 1.152 2.160 -1.297) 2.771 4.015 ( 3.620 1.717 -2.700) 4.831 4.081 ( 4.038 4.624 0.002) 6.139 4.340 ( -1.248 0.676 0.648) 1.560 4.377 ( -5.813 5.242 3.179) 8.449 4.540 ( 3.227 -2.645 0.563) 4.210 4.626 ( -0.531 -1.588 -3.447) 3.832 5.083 ( 2.992 3.839 -0.214) 4.872 6.233 ( -13.616 1.555 0.341) 13.708 6.311 ( -9.208 4.080 -0.953) 10.117 6.967 ( 0.735 -3.947 -3.044) 5.039 7.082 ( -8.338 -3.834 1.079) 9.241 7.663 ( -2.952 2.854 -0.582) 4.147 7.914 ( 1.146 -0.476 2.178) 2.507 8.056 ( 1.656 -4.360 -4.707) 6.627 8.115 ( 0.725 1.866 -0.852) 2.175 8.349 ( 1.699 1.752 3.426) 4.206 8.665 ( 3.221 -1.026 -2.535) 4.225 8.837 ( -0.277 0.485 4.279) 4.315 9.205 ( 2.382 0.502 -5.269) 5.804 9.273 ( -0.143 0.521 0.023) 0.541 9.330 ( 0.760 0.485 0.617) 1.092 9.446 ( 1.129 3.422 0.966) 3.731 9.596 ( -0.494 -0.815 -1.233) 1.559 9.774 ( 1.117 0.294 1.490) 1.885 9.866 ( 5.699 -0.742 -3.428) 6.692 9.949 ( -1.903 -0.233 1.797) 2.628 10.100 ( -1.272 0.378 4.219) 4.423 ======================= Grid point 121 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -5.802 -0.000 2.781) 6.434 0.696 ( -11.877 -0.000 1.196) 11.938 0.851 ( 0.999 0.000 -4.472) 4.582 0.861 ( -2.152 -0.000 0.340) 2.179 0.978 ( -3.762 -0.000 -0.009) 3.762 1.014 ( -1.414 -0.000 -0.756) 1.603 1.080 ( -5.265 -0.000 1.414) 5.452 1.125 ( 0.422 0.000 -1.378) 1.441 1.161 ( -0.284 -0.000 -4.962) 4.970 1.200 ( -3.180 -0.000 4.366) 5.401 1.362 ( 0.947 0.000 0.808) 1.245 1.392 ( -0.938 -0.000 -4.358) 4.457 1.542 ( 0.291 0.000 0.352) 0.457 1.595 ( -5.439 -0.000 8.046) 9.712 1.851 ( 5.140 0.000 -6.057) 7.944 1.987 ( -6.918 -0.000 1.258) 7.032 2.015 ( 1.842 0.000 4.981) 5.310 2.031 ( -1.010 -0.000 -0.004) 1.010 2.231 ( -5.982 -0.000 1.948) 6.291 2.542 ( 0.511 0.000 1.738) 1.812 2.839 ( -0.671 -0.000 8.005) 8.033 2.840 ( 3.746 0.000 -1.500) 4.035 2.937 ( -2.189 -0.000 -1.710) 2.777 3.137 ( -1.769 -0.000 -0.066) 1.771 3.169 ( -8.887 -0.000 -2.640) 9.271 3.531 ( 2.370 0.000 -4.391) 4.990 3.980 ( 1.811 0.000 -3.158) 3.640 3.993 ( 2.522 0.000 -0.309) 2.541 4.237 ( 0.005 0.000 -2.747) 2.747 4.271 ( 7.981 0.000 1.271) 8.082 4.468 ( 6.738 0.000 -4.619) 8.170 4.578 ( -2.353 -0.000 -9.347) 9.638 4.629 ( -4.866 -0.000 14.307) 15.112 5.105 ( -0.854 -0.000 -1.206) 1.477 6.287 ( -16.800 -0.000 0.405) 16.804 6.650 ( -5.447 -0.000 -6.283) 8.316 6.660 ( -10.379 -0.000 2.559) 10.689 6.936 ( -12.212 -0.000 1.147) 12.265 7.818 ( -0.970 -0.000 -3.423) 3.558 7.838 ( -3.385 -0.000 -4.062) 5.288 7.944 ( -0.264 -0.000 1.957) 1.974 8.150 ( 1.230 0.000 -1.032) 1.605 8.384 ( 3.339 0.000 4.024) 5.229 8.642 ( 3.539 0.000 -3.099) 4.704 8.846 ( 0.241 0.000 4.216) 4.223 9.212 ( 2.842 0.000 -4.730) 5.518 9.287 ( -0.007 -0.000 -1.905) 1.905 9.342 ( 2.069 0.000 2.634) 3.349 9.564 ( -0.786 -0.000 -1.920) 2.075 9.568 ( 5.871 0.000 3.946) 7.074 9.773 ( 1.693 0.000 2.256) 2.821 9.822 ( 4.361 0.000 -3.901) 5.851 9.947 ( -2.834 -0.000 0.415) 2.864 10.108 ( -0.071 -0.000 3.500) 3.501 ======================= Grid point 122 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -12.029 0.345 2.962) 12.393 0.571 ( -12.544 -3.310 -0.107) 12.974 0.817 ( -1.291 1.288 -1.380) 2.287 0.870 ( 0.560 -0.988 -1.317) 1.739 0.932 ( -5.531 -2.661 5.382) 8.163 1.007 ( -1.464 -0.857 0.089) 1.698 1.052 ( -3.973 -2.834 1.229) 5.033 1.136 ( 0.909 0.391 -1.474) 1.776 1.149 ( -0.389 -0.678 -1.155) 1.395 1.173 ( -1.451 0.800 1.745) 2.407 1.370 ( 1.673 -0.386 0.485) 1.784 1.403 ( -0.635 -1.543 -2.604) 3.093 1.546 ( -2.410 -0.586 3.661) 4.422 1.572 ( -0.026 2.431 2.122) 3.227 1.839 ( 1.157 1.834 -6.782) 7.120 1.912 ( -2.655 0.367 -0.071) 2.682 2.022 ( -2.489 -1.364 2.440) 3.743 2.039 ( 0.708 1.102 2.714) 3.013 2.210 ( -2.880 -1.776 1.862) 3.862 2.586 ( 2.874 -0.896 1.539) 3.381 2.840 ( 0.475 1.782 5.692) 5.983 2.906 ( 1.882 -1.599 3.001) 3.886 2.917 ( 0.043 -0.676 -3.615) 3.678 3.069 ( -6.713 -3.055 -8.654) 11.371 3.142 ( -2.424 -0.684 5.348) 5.911 3.539 ( 2.524 0.509 -4.664) 5.328 3.940 ( 0.863 3.385 -3.523) 4.961 4.023 ( -0.746 -0.022 -3.665) 3.740 4.187 ( -0.080 2.727 -0.767) 2.834 4.346 ( 2.395 -0.236 -1.067) 2.633 4.458 ( -2.270 8.526 5.006) 10.145 4.551 ( 3.821 -0.827 1.339) 4.133 4.599 ( -1.449 0.763 1.633) 2.312 5.130 ( 2.255 -2.147 -0.651) 3.181 6.088 ( -15.309 0.264 1.366) 15.372 6.298 ( -10.751 10.079 -2.090) 14.884 6.820 ( -6.778 -6.847 -4.660) 10.702 6.886 ( -4.140 -12.162 -2.163) 13.028 7.684 ( -3.457 4.275 -1.203) 5.628 7.910 ( 0.389 -6.042 -3.301) 6.896 7.958 ( -0.261 -2.475 -1.960) 3.168 8.144 ( 0.278 1.240 -1.013) 1.625 8.417 ( 2.307 1.678 3.303) 4.365 8.678 ( 3.198 -0.708 -2.283) 3.993 8.863 ( 0.550 0.486 4.501) 4.560 9.222 ( 2.453 0.425 -4.785) 5.394 9.278 ( 0.022 0.364 -1.149) 1.206 9.365 ( 1.404 1.238 2.692) 3.279 9.538 ( 1.204 3.376 -0.287) 3.596 9.594 ( 1.700 2.360 0.922) 3.051 9.794 ( 0.528 0.302 1.697) 1.803 9.887 ( 2.614 -0.865 -3.713) 4.622 9.929 ( 0.582 -1.998 1.196) 2.400 10.116 ( -0.588 0.827 4.640) 4.750 ======================= Grid point 130 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -14.301 -0.000 3.554) 14.736 0.413 ( -14.160 -0.000 4.277) 14.792 0.732 ( -18.399 -0.000 17.245) 25.218 0.838 ( -0.762 -0.000 1.635) 1.804 0.876 ( 2.691 0.000 -5.508) 6.130 0.991 ( 0.127 0.000 -1.142) 1.149 1.006 ( -2.089 -0.000 -0.507) 2.150 1.135 ( 0.629 0.000 -4.899) 4.939 1.159 ( 2.443 0.000 2.462) 3.469 1.169 ( -2.435 -0.000 4.261) 4.907 1.369 ( 1.723 0.000 -3.422) 3.832 1.388 ( 0.408 0.000 -0.198) 0.453 1.554 ( 0.550 0.000 0.554) 0.780 1.610 ( 0.460 0.000 5.077) 5.098 1.820 ( -5.695 -0.000 -2.474) 6.209 1.872 ( 0.936 0.000 -6.964) 7.027 1.998 ( -0.037 -0.000 5.275) 5.276 2.061 ( -1.050 -0.000 4.785) 4.898 2.198 ( 0.853 0.000 -0.522) 1.000 2.626 ( 3.494 0.000 1.059) 3.651 2.872 ( -2.069 -0.000 3.189) 3.801 2.898 ( 0.237 0.000 0.287) 0.372 2.922 ( -4.712 -0.000 -2.271) 5.230 2.938 ( 2.488 0.000 -7.422) 7.828 3.146 ( -0.077 -0.000 5.866) 5.866 3.557 ( 2.605 0.000 -4.582) 5.271 3.948 ( -2.962 -0.000 -11.200) 11.585 3.997 ( -1.561 -0.000 -0.944) 1.824 4.177 ( -3.243 -0.000 1.039) 3.406 4.363 ( 1.337 0.000 -1.835) 2.270 4.556 ( 3.745 0.000 -3.457) 5.097 4.581 ( 4.699 0.000 -1.935) 5.082 4.735 ( 6.140 0.000 24.112) 24.882 5.072 ( -0.488 -0.000 -1.243) 1.335 5.922 ( -13.894 -0.000 3.197) 14.257 6.390 ( -13.350 -0.000 -18.318) 22.667 6.500 ( -5.854 -0.000 1.069) 5.950 6.662 ( -9.877 -0.000 -4.295) 10.770 7.682 ( -7.176 -0.000 -3.165) 7.843 7.764 ( -1.167 -0.000 -2.126) 2.425 7.957 ( 0.060 0.000 0.989) 0.990 8.152 ( -0.100 -0.000 -1.116) 1.121 8.465 ( 1.428 0.000 2.875) 3.210 8.697 ( 2.600 0.000 -2.236) 3.429 8.898 ( 1.783 0.000 4.888) 5.203 9.235 ( 2.116 0.000 -4.536) 5.005 9.280 ( 0.441 0.000 0.070) 0.446 9.406 ( 1.221 0.000 3.411) 3.623 9.550 ( 0.194 0.000 -0.765) 0.789 9.705 ( 4.567 0.000 0.080) 4.568 9.808 ( -0.713 -0.000 1.076) 1.291 9.888 ( -1.734 -0.000 1.069) 2.037 9.913 ( 5.459 0.000 -3.208) 6.332 10.141 ( 0.095 0.000 2.870) 2.872 ======================= Grid point 131 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -0.843 -0.000 10.162) 10.197 0.523 ( 0.356 0.000 8.055) 8.063 0.775 ( 2.020 0.000 -5.190) 5.569 0.818 ( -2.169 -0.000 -4.826) 5.291 0.902 ( -0.040 -0.000 1.094) 1.095 0.914 ( 2.023 0.000 -2.195) 2.985 1.162 ( 2.018 0.000 3.872) 4.366 1.196 ( -1.987 -0.000 0.953) 2.203 1.228 ( -1.232 -0.000 20.627) 20.664 1.264 ( 1.213 0.000 -0.016) 1.213 1.297 ( -1.744 -0.000 -3.747) 4.133 1.445 ( 3.846 0.000 -0.218) 3.852 1.542 ( -3.986 -0.000 1.139) 4.146 1.542 ( 0.257 0.000 -2.552) 2.564 1.675 ( 0.572 0.000 -0.753) 0.945 1.718 ( 1.230 0.000 -5.297) 5.438 2.077 ( -1.352 -0.000 3.514) 3.765 2.111 ( -4.039 -0.000 2.221) 4.609 2.249 ( 0.191 0.000 0.303) 0.358 2.383 ( 0.935 0.000 -14.944) 14.973 2.743 ( 0.823 0.000 1.205) 1.459 2.772 ( -2.372 -0.000 -1.645) 2.887 2.994 ( 0.048 0.000 3.229) 3.229 3.025 ( 0.861 0.000 -0.000) 0.861 3.378 ( -0.153 -0.000 8.172) 8.173 3.516 ( 2.208 0.000 -6.282) 6.658 3.868 ( 1.368 0.000 2.735) 3.058 3.920 ( 0.128 0.000 -2.680) 2.683 4.232 ( -2.623 -0.000 6.138) 6.675 4.343 ( 3.107 0.000 -4.565) 5.522 4.539 ( 0.500 0.000 -1.025) 1.141 4.560 ( -1.309 -0.000 -2.761) 3.056 5.099 ( 2.808 0.000 0.635) 2.879 5.105 ( -4.496 -0.000 0.008) 4.496 5.995 ( 1.509 0.000 12.952) 13.040 6.199 ( 5.281 0.000 3.525) 6.350 6.265 ( 2.055 0.000 -10.895) 11.087 6.324 ( -4.963 -0.000 -5.245) 7.221 7.729 ( 2.145 0.000 -0.239) 2.159 7.733 ( 0.985 0.000 -0.747) 1.236 8.018 ( 1.230 0.000 3.511) 3.720 8.085 ( -0.604 -0.000 -3.411) 3.464 8.557 ( -1.129 -0.000 4.239) 4.387 8.640 ( 0.885 0.000 -4.390) 4.478 9.035 ( -1.444 -0.000 5.385) 5.575 9.138 ( 1.050 0.000 -5.611) 5.708 9.469 ( 6.960 0.000 4.533) 8.306 9.484 ( -2.612 -0.000 2.142) 3.378 9.543 ( -0.322 -0.000 -0.124) 0.345 9.602 ( -3.286 -0.000 -5.557) 6.456 9.819 ( 0.115 0.000 1.962) 1.966 9.863 ( -2.094 -0.000 -2.655) 3.382 9.979 ( 2.287 0.000 2.777) 3.597 10.017 ( -3.176 -0.000 -1.276) 3.423 ======================= Grid point 132 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 1.518 -3.967 7.531) 8.646 0.636 ( 3.127 -5.237 3.898) 7.238 0.738 ( -0.693 0.839 -4.769) 4.891 0.802 ( 2.580 -0.368 -1.862) 3.203 0.922 ( -1.014 -2.323 -0.695) 2.628 0.966 ( 1.813 -3.054 -2.098) 4.125 1.145 ( -0.289 3.326 1.893) 3.838 1.151 ( -0.171 3.925 2.608) 4.716 1.252 ( -1.573 0.744 0.806) 1.917 1.270 ( -0.434 0.257 -1.692) 1.765 1.316 ( -1.037 -1.316 8.460) 8.625 1.444 ( 2.935 0.546 -1.263) 3.241 1.552 ( -1.445 -2.282 1.949) 3.331 1.580 ( -0.442 -3.693 -2.724) 4.610 1.707 ( 2.095 -0.115 -3.356) 3.958 1.738 ( 4.908 -1.932 -0.816) 5.337 2.074 ( -4.082 -0.272 1.770) 4.457 2.104 ( 1.372 -1.561 9.741) 9.960 2.244 ( -0.304 0.242 1.224) 1.284 2.365 ( 2.234 -1.424 -12.289) 12.571 2.740 ( -2.919 -0.777 -0.364) 3.043 2.759 ( 0.582 -0.479 1.851) 1.999 2.986 ( -1.011 1.937 1.294) 2.539 3.039 ( 2.021 -0.376 -0.747) 2.187 3.370 ( -2.194 2.257 6.120) 6.882 3.496 ( 1.567 1.035 -7.176) 7.418 3.906 ( 3.285 0.425 0.868) 3.425 3.922 ( 2.043 -0.010 -2.646) 3.343 4.232 ( -2.694 -0.767 5.541) 6.208 4.360 ( 3.796 0.704 -4.717) 6.096 4.493 ( -5.777 1.799 0.176) 6.053 4.562 ( 0.125 -2.344 -1.317) 2.692 4.960 ( -1.144 9.118 8.196) 12.314 5.047 ( -0.512 7.999 -5.658) 9.811 6.115 ( 2.663 -2.457 8.692) 9.417 6.281 ( -3.853 -4.550 1.243) 6.090 6.290 ( 8.770 -8.165 -8.459) 14.668 6.507 ( 10.282 -12.266 -6.142) 17.143 7.720 ( -0.220 0.753 0.258) 0.826 7.807 ( 4.153 -4.165 -4.073) 7.155 8.039 ( 1.896 0.976 2.441) 3.241 8.058 ( -0.091 0.864 -3.728) 3.828 8.551 ( -2.171 0.617 4.541) 5.071 8.631 ( 0.600 0.003 -4.273) 4.315 9.017 ( -3.451 1.312 6.390) 7.380 9.119 ( 0.185 0.541 -5.653) 5.682 9.436 ( -4.106 0.852 -0.235) 4.200 9.507 ( -0.791 2.313 -1.021) 2.649 9.531 ( -2.071 1.659 0.149) 2.658 9.575 ( 2.936 -0.792 0.781) 3.140 9.762 ( -1.030 4.264 1.230) 4.555 9.810 ( 0.978 2.943 1.186) 3.320 10.000 ( -2.732 -1.754 0.070) 3.247 10.067 ( 2.155 -3.301 1.376) 4.175 ======================= Grid point 133 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 1.242 -4.848 2.566) 5.624 0.702 ( -0.969 -4.073 -0.358) 4.202 0.763 ( 3.231 -1.787 -4.043) 5.476 0.841 ( 3.068 1.218 2.855) 4.364 0.942 ( -1.816 -2.276 -0.122) 2.914 1.017 ( -0.045 -0.997 -0.080) 1.001 1.087 ( 0.619 1.262 -3.073) 3.379 1.124 ( 1.863 2.541 3.452) 4.674 1.222 ( -3.510 -0.302 0.306) 3.536 1.256 ( 0.320 0.632 0.384) 0.806 1.342 ( -0.636 -1.822 2.905) 3.487 1.484 ( 3.917 0.215 -0.016) 3.923 1.550 ( -2.406 0.410 1.448) 2.838 1.606 ( -1.840 -3.213 -6.995) 7.915 1.702 ( 1.330 1.422 -2.729) 3.353 1.821 ( 1.887 -1.200 4.057) 4.633 2.044 ( -3.148 -0.462 2.417) 3.995 2.180 ( 0.065 0.536 0.908) 1.056 2.299 ( 3.178 -3.467 11.483) 12.409 2.400 ( 5.931 -3.514 -11.153) 13.112 2.742 ( -1.265 -2.256 -0.003) 2.587 2.811 ( 3.290 -3.178 3.818) 5.958 2.925 ( -1.861 3.377 -0.182) 3.860 3.071 ( 2.380 -0.740 -1.275) 2.800 3.333 ( -0.778 1.690 4.299) 4.684 3.474 ( 2.471 1.042 -7.676) 8.131 3.907 ( 0.385 0.878 -1.596) 1.861 3.957 ( 3.735 -0.064 -0.842) 3.829 4.223 ( -4.138 0.289 2.297) 4.741 4.347 ( -4.471 1.937 0.902) 4.955 4.397 ( -1.254 1.736 0.835) 2.299 4.612 ( 0.693 -3.462 -2.181) 4.150 4.855 ( -0.350 6.948 -4.477) 8.273 4.874 ( 1.738 8.558 4.531) 9.838 6.173 ( 0.447 -2.096 0.081) 2.145 6.310 ( -5.055 -4.830 -0.740) 7.031 6.604 ( 15.250 -11.487 0.481) 19.098 6.756 ( 7.451 -6.981 -2.728) 10.568 7.703 ( -1.073 0.596 0.603) 1.368 7.900 ( 1.752 -2.886 -0.940) 3.505 8.036 ( 0.255 -0.202 -3.810) 3.824 8.054 ( 3.172 0.801 -0.621) 3.330 8.511 ( -3.685 2.161 3.340) 5.423 8.628 ( 0.998 -0.199 -2.826) 3.003 8.972 ( -4.171 1.549 7.170) 8.438 9.089 ( -0.027 0.420 -5.638) 5.653 9.376 ( -3.832 0.636 -2.294) 4.511 9.431 ( -3.212 2.885 -0.683) 4.371 9.462 ( -1.379 2.928 -0.194) 3.242 9.611 ( 0.289 -0.303 -0.062) 0.424 9.740 ( 4.900 2.277 1.793) 5.693 9.786 ( 0.998 1.637 1.177) 2.249 9.997 ( -2.499 -1.181 0.642) 2.838 10.127 ( 0.679 -1.464 1.957) 2.536 ======================= Grid point 134 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.003 -4.557 -0.942) 4.654 0.775 ( 1.029 -1.645 -1.781) 2.634 0.807 ( 1.713 -1.611 -0.080) 2.353 0.852 ( 1.634 0.524 -0.032) 1.716 0.950 ( -1.807 -0.813 2.504) 3.193 1.003 ( -0.396 0.863 0.501) 1.074 1.082 ( 0.849 0.638 -0.295) 1.102 1.118 ( 0.665 1.035 -1.547) 1.977 1.188 ( -2.870 0.065 -1.099) 3.074 1.279 ( 2.166 -1.432 2.056) 3.312 1.371 ( -0.833 -0.548 2.368) 2.569 1.507 ( 0.392 1.041 2.033) 2.317 1.526 ( 0.360 -0.029 -1.859) 1.893 1.598 ( -1.402 -1.124 -5.670) 5.948 1.680 ( 0.338 0.775 -2.097) 2.261 1.855 ( -0.963 -0.830 5.770) 5.908 2.036 ( -1.731 -0.002 4.435) 4.761 2.140 ( -2.386 1.354 -1.307) 3.038 2.396 ( 3.809 -1.321 -0.311) 4.044 2.521 ( 4.240 -4.359 0.139) 6.083 2.774 ( 0.445 -1.974 0.583) 2.106 2.841 ( -1.407 3.843 -1.084) 4.233 2.962 ( 5.308 -4.350 4.942) 8.457 3.101 ( 1.758 -0.701 -1.861) 2.654 3.347 ( 1.696 -1.197 2.022) 2.897 3.474 ( 4.254 -0.811 -6.478) 7.792 3.884 ( -0.146 1.285 -1.683) 2.122 3.988 ( 1.632 -0.041 -1.020) 1.925 4.072 ( -10.858 6.295 -0.494) 12.560 4.301 ( -3.933 -1.453 6.180) 7.468 4.397 ( 2.131 0.930 0.795) 2.458 4.636 ( -0.113 0.900 -5.244) 5.322 4.737 ( 1.586 2.844 -6.252) 7.049 4.840 ( 2.020 2.480 6.937) 7.639 6.208 ( 0.474 -1.600 -0.682) 1.803 6.312 ( -4.070 -2.053 -1.130) 4.697 6.884 ( 3.446 -2.993 -1.468) 4.795 6.942 ( 12.021 -8.252 1.449) 14.652 7.685 ( -0.312 0.817 0.728) 1.139 7.917 ( -2.015 -0.261 1.719) 2.661 8.038 ( 0.409 -0.396 -2.091) 2.168 8.087 ( 2.728 -0.840 -2.532) 3.816 8.432 ( -3.586 2.981 2.127) 5.126 8.636 ( 1.169 -0.205 -1.536) 1.941 8.936 ( -3.480 0.669 7.301) 8.116 9.067 ( 0.575 -0.136 -6.194) 6.222 9.305 ( -3.310 1.234 -2.992) 4.629 9.372 ( -1.086 1.607 0.675) 2.054 9.407 ( -0.607 2.019 -0.499) 2.167 9.607 ( -0.665 -0.191 -0.998) 1.215 9.769 ( 3.241 1.493 0.950) 3.693 9.793 ( 1.997 -0.106 1.076) 2.270 9.988 ( -1.476 -0.362 0.583) 1.628 10.152 ( -0.294 -0.531 2.153) 2.237 ======================= Grid point 135 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.713 1.686 2.588) 3.170 0.800 ( -1.696 -2.454 -1.790) 3.478 0.819 ( 0.422 2.053 -1.991) 2.891 0.852 ( 0.135 0.172 -1.370) 1.387 0.963 ( -0.167 -1.037 2.106) 2.354 0.996 ( -0.478 -0.623 0.639) 1.012 1.082 ( 0.215 -0.384 -0.376) 0.579 1.104 ( 0.283 0.623 -1.954) 2.071 1.153 ( -1.056 0.307 -0.173) 1.113 1.335 ( 0.507 -0.098 0.527) 0.738 1.368 ( 0.939 -0.562 3.814) 3.968 1.491 ( -1.505 0.702 0.044) 1.662 1.521 ( 0.673 1.779 0.378) 1.939 1.564 ( -1.431 0.938 -1.750) 2.448 1.687 ( 1.609 -1.671 -4.587) 5.140 1.894 ( 0.147 -2.261 4.471) 5.013 2.024 ( -1.036 1.506 4.371) 4.738 2.097 ( -2.539 -0.142 0.363) 2.568 2.427 ( 1.501 1.221 -2.774) 3.382 2.611 ( 1.121 -1.879 1.586) 2.702 2.771 ( 0.150 1.668 -2.338) 2.876 2.817 ( -0.030 -1.740 1.410) 2.239 3.040 ( 0.183 0.402 4.389) 4.412 3.119 ( 0.964 -0.182 -2.429) 2.620 3.366 ( -0.478 -0.053 -3.079) 3.116 3.536 ( -1.232 0.643 0.099) 1.393 3.844 ( 0.794 1.052 -1.272) 1.832 3.912 ( 0.244 -0.051 -0.905) 0.939 4.000 ( -0.470 -0.219 -0.205) 0.558 4.318 ( -1.699 -1.858 4.038) 4.759 4.405 ( 0.049 0.752 3.201) 3.288 4.579 ( 0.194 1.927 -5.701) 6.021 4.704 ( 0.503 2.797 0.892) 2.979 4.886 ( 1.719 -3.446 -0.916) 3.958 6.221 ( -0.654 0.409 0.255) 0.812 6.288 ( -1.203 0.490 -0.059) 1.301 6.929 ( 0.614 -0.832 -1.913) 2.175 7.106 ( 0.612 -1.148 -0.129) 1.308 7.677 ( 0.904 0.902 0.936) 1.583 7.914 ( -0.073 -0.981 0.366) 1.050 8.036 ( -0.307 -0.181 -1.488) 1.530 8.105 ( 0.652 0.515 -1.136) 1.407 8.378 ( -1.159 0.552 2.417) 2.737 8.646 ( 1.150 -0.074 -1.575) 1.952 8.927 ( -2.091 -0.139 6.939) 7.249 9.062 ( 1.891 -0.575 -6.975) 7.249 9.258 ( -1.101 0.309 -1.244) 1.690 9.348 ( -0.660 0.488 1.566) 1.768 9.387 ( 0.301 -0.146 -0.922) 0.981 9.599 ( -0.100 0.211 -0.520) 0.570 9.777 ( 0.154 -0.050 0.537) 0.561 9.820 ( 1.274 -0.355 -0.665) 1.481 9.983 ( 0.220 0.204 0.462) 0.551 10.159 ( -0.798 -0.240 2.101) 2.260 ======================= Grid point 136 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.766 5.601 1.840) 5.945 0.745 ( -2.070 4.521 -0.412) 4.989 0.775 ( -0.839 1.195 1.296) 1.952 0.858 ( -0.597 -0.850 -0.237) 1.065 0.986 ( 0.561 -0.718 1.366) 1.642 1.008 ( -1.171 -1.132 -1.431) 2.168 1.085 ( 0.213 0.810 -1.280) 1.530 1.107 ( 0.311 -2.255 0.003) 2.276 1.164 ( 0.843 -0.870 1.053) 1.605 1.322 ( -0.633 -0.301 -0.998) 1.220 1.406 ( 0.739 1.026 -1.571) 2.017 1.431 ( -2.459 4.244 7.656) 9.093 1.500 ( 0.243 0.843 2.787) 2.922 1.558 ( 0.838 -1.429 -3.194) 3.597 1.715 ( 1.856 -0.871 -4.461) 4.910 1.927 ( 0.313 0.397 -1.847) 1.915 2.035 ( 0.337 -1.479 7.877) 8.022 2.085 ( -2.235 -0.775 1.940) 3.059 2.353 ( -3.897 4.621 -1.658) 6.268 2.611 ( 0.525 1.616 -2.575) 3.086 2.784 ( 0.664 -1.578 -1.572) 2.324 2.837 ( -0.635 -1.634 -0.337) 1.785 3.013 ( -3.365 2.293 2.033) 4.551 3.091 ( -1.301 2.050 -3.140) 3.969 3.329 ( -4.676 1.118 5.023) 6.954 3.431 ( -1.689 2.209 -3.968) 4.845 3.862 ( 0.247 -0.569 0.789) 1.004 3.974 ( -0.710 0.109 0.162) 0.736 4.068 ( 8.891 -5.671 -0.232) 10.548 4.355 ( 1.562 -1.937 1.153) 2.743 4.396 ( -1.775 0.615 3.624) 4.081 4.555 ( -0.457 -1.090 -0.276) 1.213 4.660 ( -0.256 3.112 1.691) 3.551 4.964 ( 0.703 -5.615 -5.582) 7.949 6.178 ( -2.290 2.897 2.194) 4.295 6.272 ( 1.753 2.809 2.348) 4.059 6.910 ( -1.895 1.793 -3.771) 4.586 6.994 ( -10.294 5.326 -3.435) 12.088 7.684 ( 1.689 0.596 1.272) 2.197 7.943 ( 2.029 -0.461 -0.740) 2.208 8.030 ( -0.057 0.855 -1.657) 1.866 8.071 ( -2.034 1.158 -1.094) 2.584 8.411 ( 1.262 -2.504 3.730) 4.666 8.652 ( 1.171 0.106 -2.536) 2.795 8.941 ( -0.693 -0.460 6.311) 6.366 9.079 ( 3.205 -1.086 -6.983) 7.760 9.260 ( 0.873 -0.700 1.124) 1.586 9.356 ( -0.073 -1.188 2.007) 2.333 9.412 ( 0.963 -2.410 -0.521) 2.647 9.595 ( 0.707 0.528 0.136) 0.893 9.780 ( -1.624 -1.231 -0.046) 2.038 9.823 ( -1.137 -0.590 -2.143) 2.497 9.991 ( 2.084 0.714 0.261) 2.218 10.158 ( -1.156 -0.173 1.700) 2.063 ======================= Grid point 137 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -3.009 6.103 5.316) 8.635 0.649 ( -0.466 5.791 4.900) 7.600 0.751 ( -0.104 0.792 -2.225) 2.364 0.856 ( -1.975 -0.322 0.806) 2.157 0.975 ( -0.909 1.655 -1.376) 2.336 1.029 ( 0.051 -1.878 1.988) 2.735 1.048 ( 0.036 2.850 -3.812) 4.760 1.156 ( -0.282 -3.083 0.231) 3.104 1.195 ( 1.472 -0.721 1.584) 2.280 1.321 ( -2.821 4.394 6.130) 8.052 1.329 ( 0.195 0.047 -0.568) 0.602 1.398 ( -1.054 1.814 1.902) 2.832 1.515 ( 0.589 -0.677 1.953) 2.150 1.590 ( 1.466 -1.166 -1.197) 2.223 1.717 ( 0.606 0.482 -3.870) 3.947 1.876 ( -2.880 3.172 -1.715) 4.615 2.077 ( -1.490 -0.541 0.606) 1.697 2.108 ( 0.781 -2.191 6.649) 7.044 2.239 ( -3.462 2.306 2.145) 4.680 2.567 ( 0.147 1.880 -10.362) 10.532 2.762 ( -1.589 1.222 -3.952) 4.431 2.865 ( -2.521 0.145 -0.836) 2.660 2.926 ( -0.119 0.443 -0.838) 0.955 3.040 ( -1.569 1.471 1.462) 2.600 3.304 ( -2.190 0.098 9.273) 9.528 3.426 ( 2.384 -1.802 -5.359) 6.136 3.873 ( -0.856 -0.317 1.801) 2.019 3.953 ( -2.232 -0.270 -0.253) 2.262 4.212 ( 3.357 -1.946 2.121) 4.422 4.358 ( -1.924 1.254 0.744) 2.414 4.447 ( 6.963 -2.077 -3.253) 7.961 4.600 ( 1.268 1.186 -0.453) 1.794 4.648 ( -2.588 -6.991 11.039) 13.320 5.042 ( 0.374 -6.153 -7.798) 9.941 6.102 ( -3.094 4.273 5.809) 7.847 6.242 ( 2.426 5.506 5.148) 7.919 6.689 ( -12.466 8.948 -6.752) 16.765 6.823 ( -4.569 5.692 -8.656) 11.323 7.703 ( 2.211 0.566 1.609) 2.792 7.906 ( -3.052 5.827 -3.365) 7.389 7.981 ( 0.145 0.712 1.987) 2.116 8.074 ( -0.795 -2.441 -1.959) 3.229 8.489 ( 1.418 -2.497 4.437) 5.286 8.650 ( 1.303 0.347 -3.809) 4.041 8.973 ( 0.283 -0.884 5.707) 5.782 9.111 ( 3.096 -1.171 -6.503) 7.297 9.305 ( 3.079 -0.713 3.690) 4.858 9.402 ( 0.797 -2.776 2.485) 3.810 9.477 ( 1.148 -3.790 -0.864) 4.053 9.605 ( 1.448 -0.401 0.635) 1.631 9.777 ( -3.599 -2.065 -1.342) 4.360 9.808 ( -1.567 -0.967 -1.821) 2.590 10.003 ( 3.081 1.600 -0.130) 3.474 10.146 ( -1.956 0.285 0.339) 2.006 ======================= Grid point 138 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -4.188 4.705 9.167) 11.122 0.570 ( -1.990 6.166 9.068) 11.145 0.746 ( 2.585 -1.081 -5.942) 6.569 0.831 ( -3.496 -1.158 0.351) 3.699 0.931 ( 0.604 2.355 -1.692) 2.962 0.962 ( -0.365 4.509 -2.372) 5.108 1.089 ( 0.655 -2.946 3.677) 4.757 1.193 ( -1.403 -2.222 0.825) 2.754 1.233 ( 1.019 0.432 5.395) 5.508 1.246 ( -1.564 4.018 11.075) 11.885 1.322 ( -1.237 -0.474 -3.953) 4.169 1.391 ( 2.421 -0.039 1.671) 2.942 1.538 ( -0.363 -1.203 -0.820) 1.500 1.598 ( -0.477 1.314 0.826) 1.624 1.697 ( -0.194 0.343 -3.198) 3.222 1.767 ( -3.581 3.227 -3.529) 5.974 2.077 ( -0.790 -0.628 0.800) 1.288 2.144 ( -2.112 0.133 3.674) 4.240 2.226 ( 0.326 -1.063 2.657) 2.880 2.465 ( -0.990 2.307 -17.754) 17.930 2.732 ( 0.704 0.450 -0.131) 0.846 2.807 ( -1.661 0.865 -2.780) 3.352 2.970 ( 0.622 -1.509 3.186) 3.580 3.017 ( -0.456 0.382 1.327) 1.454 3.333 ( 0.162 -0.621 9.037) 9.060 3.479 ( 3.702 -2.176 -4.909) 6.522 3.865 ( -1.851 0.126 2.963) 3.496 3.936 ( -1.478 -0.380 -1.723) 2.301 4.244 ( -2.019 0.082 5.375) 5.742 4.331 ( 1.431 0.526 -3.064) 3.422 4.523 ( 4.195 -0.402 -2.943) 5.140 4.574 ( 0.401 0.857 -2.187) 2.382 4.879 ( 0.757 -14.336 11.220) 18.221 5.114 ( 0.776 -4.601 -6.795) 8.243 6.017 ( -3.696 4.575 10.520) 12.052 6.192 ( 2.930 6.556 7.752) 10.567 6.403 ( -8.417 5.681 -11.854) 15.609 6.560 ( -6.303 13.417 -9.403) 17.555 7.719 ( 1.154 0.895 2.186) 2.629 7.768 ( -1.532 4.329 -1.348) 4.786 7.993 ( 0.234 -0.440 2.926) 2.969 8.091 ( -0.587 -1.470 -2.772) 3.192 8.542 ( -0.053 -0.990 4.397) 4.508 8.644 ( 1.361 0.226 -4.526) 4.732 9.013 ( 0.126 -0.918 5.366) 5.445 9.134 ( 2.196 -0.773 -5.949) 6.389 9.376 ( 5.352 -0.314 4.769) 7.175 9.467 ( 0.299 -2.305 3.130) 3.898 9.530 ( 0.565 -1.632 -1.090) 2.042 9.638 ( -0.798 -1.787 -2.993) 3.576 9.778 ( -0.684 -3.188 -0.557) 3.308 9.820 ( -1.862 -3.413 -0.167) 3.892 10.000 ( 3.157 3.250 -0.178) 4.535 10.094 ( -4.142 1.855 -1.360) 4.738 ======================= Grid point 140 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 3.909 0.000 6.601) 7.672 0.667 ( 7.819 0.000 1.945) 8.057 0.728 ( -0.702 -0.000 -7.186) 7.220 0.779 ( 1.068 0.000 -0.179) 1.083 0.908 ( 0.433 0.000 -1.611) 1.668 0.950 ( 2.162 0.000 -1.190) 2.468 1.143 ( -1.862 -0.000 -1.657) 2.493 1.226 ( -3.130 -0.000 -1.045) 3.300 1.232 ( 1.571 0.000 1.516) 2.183 1.296 ( 1.629 0.000 2.576) 3.048 1.328 ( -1.088 -0.000 6.239) 6.334 1.418 ( -0.334 -0.000 -8.694) 8.700 1.531 ( 2.297 0.000 1.843) 2.945 1.574 ( -0.215 -0.000 3.951) 3.957 1.740 ( 3.251 0.000 -3.097) 4.490 1.764 ( 6.078 0.000 -1.760) 6.328 2.039 ( -3.146 -0.000 2.985) 4.337 2.158 ( 3.872 0.000 12.134) 12.737 2.236 ( -1.269 -0.000 1.883) 2.271 2.347 ( 3.705 0.000 -9.487) 10.184 2.700 ( -2.729 -0.000 1.065) 2.930 2.767 ( 0.558 0.000 2.160) 2.231 3.010 ( -0.281 -0.000 0.550) 0.617 3.039 ( 1.065 0.000 -1.476) 1.820 3.376 ( -3.519 -0.000 4.811) 5.960 3.473 ( 0.252 0.000 -8.971) 8.974 3.939 ( 2.238 0.000 -2.909) 3.670 3.965 ( 4.813 0.000 -0.678) 4.860 4.212 ( -3.429 -0.000 5.914) 6.836 4.409 ( 6.571 0.000 -6.221) 9.049 4.469 ( -4.945 -0.000 -0.160) 4.948 4.487 ( -5.300 -0.000 0.668) 5.342 5.006 ( -3.875 -0.000 3.161) 5.000 5.118 ( -1.873 -0.000 -1.003) 2.124 6.241 ( 9.815 0.000 -11.112) 14.826 6.252 ( 7.102 0.000 3.471) 7.905 6.297 ( 11.717 0.000 4.104) 12.415 6.488 ( 10.568 0.000 -0.848) 10.602 7.756 ( 1.100 0.000 -3.233) 3.415 7.781 ( 4.307 0.000 -1.922) 4.716 8.051 ( 0.202 0.000 -3.989) 3.994 8.077 ( 1.422 0.000 2.239) 2.652 8.545 ( -3.022 -0.000 4.765) 5.642 8.617 ( 0.008 0.000 -4.347) 4.347 9.008 ( -4.628 -0.000 7.090) 8.467 9.097 ( -0.729 -0.000 -5.939) 5.984 9.379 ( -4.806 -0.000 -2.731) 5.528 9.485 ( -4.479 -0.000 0.250) 4.485 9.524 ( -2.129 -0.000 -0.648) 2.225 9.613 ( 1.990 0.000 3.328) 3.878 9.799 ( -3.124 -0.000 1.800) 3.605 9.837 ( 2.909 0.000 0.011) 2.909 9.980 ( -0.342 -0.000 -2.300) 2.325 10.059 ( 1.580 0.000 4.052) 4.349 ======================= Grid point 141 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -1.590 -0.909 1.823) 2.584 0.704 ( 7.139 0.750 -0.934) 7.238 0.775 ( 5.604 -0.711 -5.793) 8.091 0.862 ( 0.313 -5.420 4.148) 6.833 0.898 ( 1.046 0.880 -0.634) 1.506 0.992 ( 1.266 -2.089 -0.823) 2.578 1.106 ( 0.420 1.492 -3.202) 3.557 1.178 ( -3.092 0.781 -0.696) 3.264 1.222 ( 1.054 3.108 1.566) 3.636 1.303 ( 1.782 2.044 4.019) 4.849 1.321 ( -0.529 -0.732 0.996) 1.345 1.450 ( -0.089 -5.187 -7.449) 9.078 1.541 ( -0.075 1.574 -0.104) 1.579 1.583 ( 0.979 0.638 2.286) 2.568 1.740 ( 2.807 2.334 -2.087) 4.205 1.834 ( 1.757 -1.041 1.767) 2.701 2.026 ( -1.815 -0.152 4.981) 5.304 2.183 ( -1.791 1.069 -1.679) 2.677 2.323 ( 4.042 -3.062 12.122) 13.140 2.395 ( 7.977 -2.507 -8.367) 11.829 2.708 ( 1.310 -1.760 2.695) 3.475 2.809 ( 2.688 -2.665 3.406) 5.092 2.966 ( -1.079 3.283 -0.728) 3.531 3.066 ( 0.961 -1.500 -1.380) 2.254 3.346 ( -2.705 0.566 3.319) 4.319 3.454 ( 1.039 -0.797 -9.159) 9.252 3.930 ( 1.021 1.739 -2.307) 3.064 4.012 ( 4.063 0.127 -1.863) 4.472 4.194 ( -3.655 0.556 4.498) 5.822 4.326 ( -8.424 4.263 2.224) 9.700 4.442 ( 3.029 0.915 -1.841) 3.660 4.517 ( -1.344 -5.445 -4.116) 6.957 4.935 ( -1.583 5.442 -1.055) 5.765 5.028 ( -1.196 6.048 1.369) 6.315 6.264 ( 10.593 4.941 -3.156) 12.107 6.290 ( 7.008 2.904 -2.139) 7.882 6.606 ( 15.244 -9.723 3.492) 18.415 6.707 ( 8.899 -9.103 0.762) 12.753 7.728 ( 0.990 1.924 -1.838) 2.839 7.871 ( 3.702 -3.577 -1.424) 5.341 8.026 ( -0.410 1.350 -3.490) 3.764 8.094 ( 1.495 0.342 0.877) 1.767 8.511 ( -4.006 1.368 3.751) 5.655 8.608 ( -0.383 -1.021 -3.506) 3.672 8.970 ( -4.869 1.003 7.580) 9.065 9.066 ( -0.642 -0.011 -5.907) 5.941 9.320 ( -3.910 -0.073 -2.837) 4.831 9.424 ( -3.852 1.179 0.306) 4.040 9.486 ( -2.201 1.556 1.153) 2.932 9.622 ( 0.347 1.221 0.330) 1.311 9.775 ( -2.305 -0.956 1.710) 3.026 9.853 ( 3.084 2.624 -0.210) 4.055 9.969 ( 0.378 -0.358 -1.097) 1.214 10.104 ( -0.519 -2.020 3.230) 3.845 ======================= Grid point 142 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.021 -3.575 -0.102) 3.576 0.776 ( 5.223 -0.155 -3.071) 6.060 0.815 ( 3.804 -0.724 -2.484) 4.600 0.877 ( -0.529 0.051 -0.077) 0.537 0.953 ( 0.485 -0.718 5.354) 5.423 1.014 ( 0.768 -0.110 -0.827) 1.134 1.102 ( 1.858 0.052 -2.335) 2.985 1.131 ( -1.927 1.405 -0.183) 2.391 1.188 ( 0.430 2.360 0.932) 2.573 1.316 ( 2.908 1.098 3.002) 4.321 1.352 ( 0.176 -1.929 1.888) 2.705 1.498 ( -1.503 -2.407 -2.096) 3.528 1.504 ( -1.377 -1.686 -5.909) 6.297 1.580 ( 2.667 2.237 -0.643) 3.540 1.713 ( 1.032 2.930 -1.098) 3.295 1.860 ( 0.290 -0.138 5.520) 5.530 2.037 ( -1.574 -0.476 7.054) 7.243 2.124 ( -2.999 1.490 -2.640) 4.264 2.429 ( 6.175 -1.083 -1.259) 6.394 2.504 ( 3.910 -3.075 -0.045) 4.975 2.772 ( 2.762 -0.841 2.438) 3.779 2.886 ( -1.796 3.895 -0.929) 4.389 2.961 ( 5.896 -5.527 4.324) 9.166 3.091 ( 0.604 -1.243 -1.809) 2.276 3.335 ( -1.371 -1.003 1.664) 2.378 3.464 ( 3.286 -1.985 -6.650) 7.679 3.902 ( 0.489 1.558 -2.324) 2.840 4.023 ( -0.866 2.086 -2.992) 3.748 4.067 ( -5.798 5.765 1.328) 8.284 4.257 ( -3.908 -1.550 7.417) 8.525 4.449 ( 1.748 1.020 -0.685) 2.136 4.574 ( -0.875 -4.680 -5.237) 7.078 4.803 ( 1.395 7.040 -7.526) 10.399 4.944 ( -0.923 4.984 6.576) 8.302 6.298 ( 10.174 4.166 -1.197) 11.059 6.319 ( 7.064 2.846 -1.247) 7.717 6.852 ( 3.754 -5.251 -0.228) 6.459 6.969 ( 11.967 -6.353 3.655) 14.034 7.715 ( 2.186 0.891 -1.407) 2.749 7.921 ( 0.053 1.566 1.769) 2.363 8.000 ( -0.815 -2.244 -2.929) 3.779 8.106 ( 1.642 0.576 -0.682) 1.869 8.445 ( -3.555 2.328 2.127) 4.752 8.612 ( -1.084 -1.710 -2.445) 3.175 8.933 ( -3.880 0.620 7.622) 8.575 9.045 ( 0.497 -0.388 -5.899) 5.933 9.271 ( -2.801 0.254 -1.816) 3.348 9.375 ( -2.029 0.790 -0.005) 2.178 9.437 ( -1.544 2.226 1.188) 2.958 9.605 ( 0.496 0.655 -1.319) 1.554 9.774 ( -2.549 -1.046 1.271) 3.034 9.834 ( 0.979 1.794 -0.548) 2.116 9.987 ( 1.887 -0.144 -0.361) 1.926 10.130 ( -1.827 -1.457 2.706) 3.575 ======================= Grid point 143 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -0.229 -3.452 -0.480) 3.493 0.797 ( -0.167 -0.093 -0.366) 0.413 0.848 ( 1.851 0.082 -1.530) 2.403 0.884 ( 3.252 2.320 -0.671) 4.051 0.965 ( 0.463 -0.346 2.065) 2.144 1.022 ( 1.367 1.236 2.051) 2.757 1.088 ( -1.157 1.283 -0.267) 1.748 1.110 ( 1.131 0.373 -0.992) 1.550 1.162 ( 0.513 1.312 0.357) 1.453 1.334 ( -0.249 -0.021 -0.378) 0.454 1.387 ( 1.654 -0.504 2.156) 2.764 1.486 ( -0.621 -0.444 0.018) 0.763 1.524 ( -1.069 -1.980 -3.775) 4.395 1.586 ( 3.754 1.665 -1.058) 4.241 1.676 ( 0.525 0.957 -1.458) 1.821 1.901 ( 2.073 -0.551 6.381) 6.732 2.052 ( -1.301 0.136 7.997) 8.104 2.055 ( -3.482 0.651 -3.422) 4.925 2.477 ( 5.006 2.295 -4.961) 7.412 2.587 ( 1.077 -2.904 2.194) 3.795 2.788 ( -0.867 2.005 -4.455) 4.962 2.824 ( 0.636 0.866 4.223) 4.358 3.047 ( -1.158 -0.259 2.846) 3.084 3.108 ( 0.349 -0.763 -2.286) 2.435 3.329 ( -2.390 -0.362 -2.137) 3.226 3.534 ( -0.170 -0.039 0.384) 0.422 3.853 ( -0.597 0.785 -2.227) 2.435 3.926 ( 2.549 -0.069 -0.981) 2.732 4.030 ( 1.289 2.129 -0.225) 2.499 4.286 ( -1.530 -2.113 6.848) 7.328 4.439 ( 0.127 1.465 0.260) 1.494 4.597 ( -0.034 -0.671 -4.826) 4.873 4.710 ( 0.507 2.519 -5.365) 5.949 4.885 ( -1.541 2.420 2.925) 4.097 6.330 ( 9.376 6.141 0.040) 11.208 6.355 ( 8.192 2.420 0.761) 8.576 6.912 ( -0.371 -0.883 -0.599) 1.130 7.109 ( 0.546 0.640 1.261) 1.516 7.731 ( 4.284 1.605 -1.800) 4.917 7.902 ( 0.334 -0.662 1.504) 1.677 8.027 ( -0.087 -1.050 -0.246) 1.082 8.103 ( 0.035 0.329 -1.736) 1.767 8.388 ( -1.712 1.291 2.175) 3.055 8.619 ( -1.488 -1.955 -2.612) 3.586 8.924 ( -2.379 -0.404 7.417) 7.800 9.048 ( 2.165 -0.843 -6.209) 6.629 9.244 ( -1.016 -0.209 0.108) 1.043 9.349 ( -1.400 0.264 0.630) 1.558 9.398 ( -0.056 1.357 0.031) 1.358 9.606 ( 1.117 0.072 -0.649) 1.294 9.756 ( -3.278 -0.544 -0.106) 3.324 9.813 ( -1.138 0.342 -1.283) 1.749 10.009 ( 2.577 0.424 -0.170) 2.617 10.136 ( -2.405 -1.120 2.472) 3.626 ======================= Grid point 144 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -0.943 -0.911 0.359) 1.360 0.783 ( -1.244 0.578 0.701) 1.540 0.833 ( 0.340 3.598 -0.160) 3.617 0.854 ( 1.285 2.640 -0.532) 2.984 0.993 ( 0.394 -0.343 0.462) 0.698 1.026 ( 2.991 1.656 1.718) 3.826 1.068 ( -0.684 -0.369 -0.871) 1.168 1.109 ( 1.124 0.570 -0.481) 1.349 1.170 ( 1.105 -0.380 2.061) 2.369 1.316 ( -0.978 0.390 -1.001) 1.453 1.416 ( 1.323 -0.334 -1.949) 2.379 1.475 ( -1.509 1.745 3.452) 4.152 1.537 ( 1.179 -1.703 -2.781) 3.467 1.572 ( 2.174 3.932 4.456) 6.328 1.695 ( 1.879 -1.644 -4.548) 5.188 1.950 ( 2.210 0.637 -0.847) 2.451 2.021 ( -2.035 -2.131 1.234) 3.195 2.069 ( -0.832 0.121 9.486) 9.523 2.407 ( -1.551 6.962 -2.436) 7.537 2.610 ( -0.978 0.212 -3.627) 3.762 2.762 ( 0.650 -1.346 -1.505) 2.121 2.830 ( 0.287 0.758 0.920) 1.226 3.010 ( -3.952 1.839 2.122) 4.848 3.090 ( -1.202 1.131 -3.263) 3.656 3.291 ( -4.461 -0.289 2.820) 5.286 3.431 ( -3.683 3.238 -3.232) 5.873 3.873 ( 1.665 0.118 1.209) 2.061 3.998 ( -0.602 2.015 0.723) 2.224 4.083 ( 10.959 -5.917 -0.905) 12.488 4.344 ( 1.423 -2.804 5.462) 6.303 4.405 ( -1.765 1.687 0.657) 2.528 4.576 ( 1.747 1.899 -1.802) 3.147 4.666 ( -3.061 0.538 -1.320) 3.376 4.863 ( -1.852 -2.569 -4.540) 5.536 6.317 ( 8.556 8.081 1.877) 11.918 6.412 ( 9.148 4.032 3.702) 10.661 6.886 ( -3.102 0.563 -2.829) 4.236 6.974 ( -10.289 7.479 -1.696) 12.833 7.743 ( 4.614 1.905 -0.807) 5.057 7.955 ( 2.695 -1.686 0.367) 3.200 8.021 ( -0.768 0.743 -0.035) 1.069 8.073 ( -2.107 1.574 -3.550) 4.418 8.400 ( 0.680 -2.066 4.245) 4.770 8.625 ( -1.049 -1.955 -3.599) 4.228 8.941 ( -1.552 -0.977 6.960) 7.197 9.071 ( 3.022 -1.082 -6.564) 7.307 9.262 ( 1.294 -1.458 2.596) 3.246 9.343 ( -0.790 -0.678 1.698) 1.992 9.397 ( 1.326 -0.584 -0.467) 1.522 9.619 ( 1.751 0.414 0.357) 1.834 9.721 ( -4.400 -1.117 -2.025) 4.971 9.788 ( -2.248 -0.279 -1.870) 2.938 10.031 ( 2.759 0.481 -0.070) 2.801 10.132 ( -2.812 -0.926 2.208) 3.693 ======================= Grid point 145 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -2.018 4.646 4.826) 6.996 0.756 ( 1.467 3.058 0.545) 3.435 0.777 ( 0.924 3.148 -0.609) 3.337 0.829 ( -1.294 0.151 -1.341) 1.869 0.999 ( 0.725 0.633 1.114) 1.472 1.031 ( 1.852 1.302 1.068) 2.503 1.066 ( -0.808 0.243 -2.069) 2.234 1.106 ( -0.568 -0.276 -1.332) 1.474 1.202 ( 0.883 -0.802 3.078) 3.301 1.308 ( 1.023 -0.161 -2.502) 2.708 1.404 ( -0.469 1.524 -0.834) 1.799 1.421 ( -2.383 3.737 5.335) 6.936 1.563 ( 1.563 2.006 5.778) 6.313 1.587 ( 2.913 -2.294 -2.847) 4.675 1.712 ( 1.634 0.006 -3.779) 4.117 1.901 ( -3.157 3.191 -4.857) 6.613 2.057 ( 0.606 -0.291 4.799) 4.846 2.112 ( 0.343 -1.359 8.355) 8.471 2.256 ( -4.200 4.765 2.296) 6.754 2.550 ( -0.982 2.095 -12.234) 12.451 2.769 ( -0.105 1.294 0.041) 1.299 2.833 ( -1.345 -0.575 -0.290) 1.491 2.946 ( 0.329 1.502 0.448) 1.602 3.037 ( -2.319 1.129 -1.626) 3.049 3.281 ( -3.708 -1.978 7.501) 8.598 3.393 ( 1.531 -1.664 -6.256) 6.652 3.888 ( 0.910 0.941 2.416) 2.747 3.956 ( -0.628 1.835 -0.305) 1.963 4.238 ( 4.262 -1.171 1.984) 4.845 4.356 ( -2.080 1.188 -0.416) 2.431 4.473 ( 6.821 -4.623 1.787) 8.432 4.582 ( -2.252 -1.549 6.002) 6.595 4.613 ( -1.115 0.988 -0.673) 1.635 4.889 ( -1.913 -6.265 -9.318) 11.390 6.271 ( 6.921 10.072 5.778) 13.518 6.443 ( 7.371 6.682 7.710) 12.587 6.679 ( -11.783 9.388 -6.201) 16.291 6.806 ( -3.697 2.368 -8.008) 9.132 7.767 ( 4.005 1.799 1.503) 4.641 7.944 ( -2.584 4.347 -4.896) 7.039 7.998 ( -1.191 0.444 0.613) 1.411 8.027 ( 1.013 -1.120 -2.261) 2.718 8.477 ( 0.910 -2.908 5.702) 6.465 8.631 ( -0.079 -1.470 -4.811) 5.031 8.969 ( -1.488 -1.411 6.485) 6.801 9.097 ( 2.377 -1.207 -6.538) 7.061 9.339 ( 3.235 -2.708 4.592) 6.236 9.368 ( -0.064 -2.071 2.243) 3.053 9.440 ( 2.268 -1.985 0.173) 3.019 9.625 ( 0.312 0.726 -0.626) 1.008 9.692 ( -2.853 -2.174 -2.460) 4.349 9.759 ( -2.922 -0.750 -1.840) 3.533 10.054 ( 2.716 0.559 0.269) 2.786 10.116 ( -3.243 -0.433 1.406) 3.561 ======================= Grid point 146 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.051 6.814 7.107) 9.902 0.714 ( 1.552 6.459 1.458) 6.801 0.750 ( 1.702 0.803 -1.372) 2.329 0.790 ( -2.424 0.557 -0.539) 2.545 0.975 ( -0.084 2.742 0.695) 2.830 1.011 ( 0.102 2.781 -2.795) 3.944 1.065 ( 0.994 -2.100 2.829) 3.661 1.121 ( -1.527 -3.156 -1.918) 3.996 1.235 ( 0.441 -0.902 2.391) 2.593 1.298 ( -0.446 0.733 -3.872) 3.966 1.349 ( -3.298 3.246 7.813) 9.080 1.399 ( 2.452 -0.036 1.019) 2.656 1.569 ( -0.008 1.159 4.497) 4.644 1.636 ( 2.953 0.111 -3.352) 4.469 1.718 ( 3.576 1.384 -1.125) 3.996 1.766 ( -4.473 4.142 -4.102) 7.348 2.079 ( 0.567 0.961 7.384) 7.468 2.129 ( -3.425 0.479 2.054) 4.022 2.219 ( 0.269 -0.811 3.897) 3.990 2.442 ( 0.164 3.027 -16.037) 16.321 2.753 ( 0.587 0.979 1.802) 2.133 2.793 ( -2.053 1.310 -2.059) 3.189 2.969 ( -0.819 -1.128 2.984) 3.293 3.013 ( 1.527 -0.331 -1.571) 2.216 3.320 ( -1.915 -2.935 7.309) 8.106 3.446 ( 3.456 -3.325 -6.076) 7.740 3.883 ( 0.617 1.134 2.632) 2.931 3.929 ( 0.337 0.908 -1.999) 2.222 4.256 ( -1.502 1.223 4.573) 4.966 4.336 ( 1.364 -0.230 -2.943) 3.252 4.540 ( -5.933 -0.642 0.248) 5.972 4.567 ( 4.682 0.732 -2.771) 5.489 4.740 ( 1.916 -9.144 12.579) 15.669 4.955 ( -1.261 -8.317 -10.431) 13.400 6.180 ( 0.980 9.971 11.447) 15.212 6.388 ( 0.131 7.459 -1.559) 7.622 6.431 ( -0.974 9.009 1.225) 9.143 6.660 ( 1.251 8.276 -14.739) 16.949 7.752 ( -2.997 2.249 3.674) 5.248 7.843 ( 4.243 4.430 -6.783) 9.145 7.999 ( 0.672 -0.575 2.038) 2.222 8.051 ( 0.400 -1.457 -3.091) 3.441 8.535 ( -0.982 -1.561 5.450) 5.754 8.635 ( 0.754 -0.667 -5.051) 5.150 8.999 ( -2.233 -1.771 6.357) 6.967 9.116 ( 1.485 -1.159 -6.020) 6.308 9.420 ( -0.460 -2.980 2.589) 3.974 9.439 ( 3.007 -3.022 2.379) 4.882 9.502 ( 2.035 -1.424 2.628) 3.616 9.593 ( -2.627 -0.311 -5.107) 5.751 9.717 ( -1.108 -2.784 1.548) 3.373 9.748 ( -0.511 -2.162 -1.485) 2.673 10.062 ( -1.466 1.180 1.641) 2.497 10.084 ( 0.125 1.445 -0.497) 1.534 ======================= Grid point 149 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -2.149 -0.000 3.068) 3.745 0.804 ( 7.748 0.000 -2.771) 8.229 0.813 ( 4.334 0.000 -4.986) 6.607 0.838 ( 2.021 0.000 4.357) 4.803 0.918 ( 1.818 0.000 1.000) 2.074 0.984 ( 1.098 0.000 -0.494) 1.204 1.116 ( 1.457 0.000 -3.587) 3.871 1.147 ( -2.628 -0.000 -0.394) 2.657 1.264 ( 1.555 0.000 -0.300) 1.584 1.317 ( -1.487 -0.000 -2.514) 2.921 1.325 ( -0.109 -0.000 0.689) 0.698 1.385 ( 1.773 0.000 -3.515) 3.937 1.566 ( -2.907 -0.000 4.323) 5.210 1.593 ( 2.212 0.000 -3.081) 3.793 1.826 ( 3.761 0.000 6.498) 7.508 1.834 ( 1.112 0.000 -1.919) 2.218 2.028 ( -1.197 -0.000 5.727) 5.851 2.156 ( -3.349 -0.000 -2.163) 3.987 2.394 ( 3.525 0.000 10.879) 11.436 2.444 ( 11.829 0.000 -11.219) 16.303 2.755 ( 7.072 0.000 6.042) 9.301 2.825 ( 3.124 0.000 3.098) 4.400 2.975 ( -2.696 -0.000 -1.257) 2.974 3.053 ( 0.998 0.000 -1.242) 1.593 3.326 ( -2.950 -0.000 2.686) 3.990 3.431 ( 2.467 0.000 -9.162) 9.488 3.952 ( 0.728 0.000 -2.271) 2.385 4.022 ( 0.489 0.000 -2.703) 2.747 4.201 ( -0.408 -0.000 7.243) 7.255 4.313 ( -10.544 -0.000 2.460) 10.827 4.329 ( -7.795 -0.000 -0.148) 7.797 4.515 ( 7.118 0.000 -10.335) 12.549 4.975 ( -2.183 -0.000 5.554) 5.968 5.044 ( -0.899 -0.000 -5.141) 5.219 6.433 ( 8.690 0.000 2.033) 8.925 6.477 ( 15.883 0.000 -8.634) 18.078 6.697 ( 9.081 0.000 -0.219) 9.083 6.733 ( 17.129 0.000 8.966) 19.334 7.746 ( -0.230 -0.000 -1.025) 1.050 7.878 ( 4.403 0.000 -2.500) 5.063 8.040 ( 1.622 0.000 -3.781) 4.114 8.103 ( -0.468 -0.000 1.716) 1.779 8.486 ( -5.476 -0.000 5.035) 7.439 8.574 ( -0.724 -0.000 -5.052) 5.103 8.950 ( -5.009 -0.000 7.992) 9.432 9.039 ( 0.066 0.000 -6.019) 6.020 9.273 ( -2.898 -0.000 -1.553) 3.288 9.391 ( -3.426 -0.000 0.167) 3.430 9.475 ( -2.874 -0.000 2.268) 3.661 9.644 ( 0.309 0.000 0.222) 0.381 9.726 ( -3.447 -0.000 0.697) 3.517 9.885 ( -0.668 -0.000 -2.398) 2.489 9.980 ( 2.763 0.000 -1.024) 2.947 10.092 ( -0.989 -0.000 3.679) 3.810 ======================= Grid point 150 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.069 -1.869 3.755) 4.195 0.825 ( 2.391 1.816 -5.207) 6.011 0.856 ( -0.202 -0.525 1.100) 1.236 0.878 ( 7.095 -0.069 -0.150) 7.097 0.962 ( 1.031 -0.747 3.269) 3.508 1.007 ( 1.109 -1.442 -0.406) 1.864 1.103 ( -0.841 0.501 -2.119) 2.334 1.143 ( 2.246 0.246 -0.531) 2.321 1.247 ( 0.577 3.172 -0.308) 3.238 1.308 ( 0.184 -2.529 -1.749) 3.080 1.364 ( 1.037 -1.787 1.422) 2.508 1.404 ( 0.123 -2.426 -5.238) 5.774 1.509 ( -2.415 3.083 2.559) 4.678 1.605 ( 0.519 -0.405 -3.058) 3.128 1.795 ( 1.349 4.012 -0.497) 4.262 1.904 ( 3.008 0.057 9.034) 9.522 2.040 ( -1.303 -0.045 6.771) 6.895 2.098 ( -3.731 0.738 -2.211) 4.400 2.470 ( 3.431 -1.468 4.693) 5.996 2.541 ( 10.374 0.017 -10.182) 14.535 2.827 ( 3.849 1.574 1.259) 4.345 2.899 ( -2.114 1.034 -2.168) 3.200 2.973 ( 6.526 -3.192 7.206) 10.233 3.070 ( 0.894 -1.048 -1.498) 2.035 3.312 ( -1.280 -0.463 2.209) 2.595 3.451 ( 4.350 -1.806 -6.017) 7.641 3.926 ( -0.490 2.174 -2.079) 3.048 4.007 ( -2.726 0.706 -3.543) 4.526 4.103 ( -6.876 5.198 1.433) 8.738 4.236 ( -1.311 -0.699 8.662) 8.789 4.347 ( -7.571 -7.196 0.084) 10.446 4.544 ( 5.540 0.269 -10.880) 12.212 4.915 ( 0.373 5.927 -0.283) 5.945 5.008 ( -1.255 2.644 0.890) 3.059 6.470 ( 9.053 5.090 0.611) 10.404 6.576 ( 16.006 6.791 -3.038) 17.650 6.816 ( 5.299 -3.429 0.763) 6.357 7.025 ( 12.701 -5.795 5.240) 14.912 7.738 ( 0.999 0.094 -0.090) 1.007 7.930 ( 1.109 -3.034 -2.312) 3.973 7.997 ( 0.451 4.767 -1.408) 4.991 8.118 ( 0.346 -0.832 -0.383) 0.979 8.433 ( -5.290 0.635 4.095) 6.720 8.555 ( -1.354 -1.205 -4.713) 5.049 8.924 ( -4.059 0.252 7.853) 8.844 9.027 ( 1.385 -0.356 -5.732) 5.908 9.242 ( -1.874 0.027 -0.125) 1.878 9.356 ( -2.255 0.167 -0.445) 2.305 9.445 ( -2.630 0.781 3.156) 4.182 9.626 ( 0.725 1.450 -1.683) 2.336 9.717 ( -2.901 -1.824 0.545) 3.470 9.844 ( -2.310 1.001 -2.562) 3.592 10.014 ( 3.039 -0.088 -0.527) 3.086 10.098 ( -1.773 -0.872 2.921) 3.526 ======================= Grid point 151 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.615 -2.366 2.487) 3.487 0.796 ( 0.122 1.069 -2.599) 2.813 0.865 ( 1.091 0.222 -0.098) 1.118 0.952 ( 3.818 0.372 -0.623) 3.886 0.969 ( 0.596 -0.152 1.534) 1.653 1.049 ( 1.429 -0.804 2.245) 2.781 1.084 ( -0.612 0.216 -0.646) 0.916 1.150 ( 1.849 1.900 0.414) 2.683 1.203 ( 0.228 2.382 0.814) 2.527 1.326 ( -1.031 0.380 -1.184) 1.615 1.395 ( 0.780 -0.946 -3.230) 3.455 1.434 ( -0.173 -3.466 -2.661) 4.373 1.485 ( 0.350 -0.944 2.358) 2.564 1.612 ( 1.275 -1.296 -3.477) 3.924 1.741 ( 1.620 4.362 0.910) 4.741 1.968 ( 3.366 0.583 9.753) 10.335 2.007 ( -4.575 1.238 -2.016) 5.150 2.077 ( -0.248 -0.030 6.584) 6.589 2.547 ( 5.073 -0.516 -2.715) 5.777 2.592 ( 4.640 0.852 -3.677) 5.981 2.777 ( -3.911 1.720 -5.781) 7.188 2.878 ( 1.939 2.032 2.667) 3.873 3.047 ( -0.565 0.805 3.527) 3.662 3.101 ( 1.715 -0.218 0.361) 1.766 3.311 ( 0.086 0.887 -1.372) 1.636 3.532 ( 0.530 -0.640 0.516) 0.978 3.848 ( 0.003 0.336 -2.495) 2.518 3.953 ( 1.463 0.566 -0.532) 1.657 4.046 ( -1.082 -0.228 -1.551) 1.905 4.273 ( -1.850 -2.049 8.919) 9.337 4.374 ( -5.762 -5.176 -0.913) 7.799 4.555 ( 3.081 -0.056 -8.590) 9.126 4.816 ( 2.765 7.181 -2.950) 8.241 4.926 ( -3.236 4.599 2.354) 6.096 6.509 ( 9.495 3.362 1.257) 10.151 6.617 ( 15.529 8.829 -0.270) 17.865 6.885 ( -0.315 -1.007 -0.170) 1.069 7.150 ( 0.227 2.659 2.564) 3.701 7.785 ( 4.390 -1.317 -0.592) 4.622 7.924 ( 0.633 1.946 0.604) 2.133 7.989 ( 0.704 -2.727 -1.294) 3.099 8.111 ( -0.713 1.114 -1.865) 2.287 8.386 ( -3.692 0.427 3.849) 5.351 8.547 ( -1.713 -2.073 -4.563) 5.297 8.916 ( -2.691 -0.458 7.568) 8.045 9.039 ( 2.709 -0.838 -6.047) 6.679 9.233 ( -0.349 -0.363 1.430) 1.516 9.332 ( -1.614 -0.081 -0.412) 1.668 9.420 ( -0.838 1.036 2.780) 3.083 9.619 ( 1.472 0.146 -1.633) 2.203 9.701 ( -3.469 -0.529 -0.889) 3.620 9.794 ( -2.718 0.553 -2.111) 3.486 10.043 ( 2.515 0.168 -0.358) 2.546 10.099 ( -2.283 -0.878 2.509) 3.504 ======================= Grid point 152 (76/93) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.342 -1.694 0.756) 1.886 0.774 ( -0.920 0.275 -1.041) 1.416 0.870 ( 1.438 1.322 0.335) 1.982 0.928 ( -0.166 2.527 -0.799) 2.656 1.004 ( 1.488 0.515 1.121) 1.933 1.055 ( -0.541 0.751 -0.814) 1.233 1.087 ( 1.622 0.576 2.560) 3.085 1.139 ( 1.296 1.493 -0.261) 1.994 1.190 ( 0.287 0.407 3.173) 3.212 1.296 ( -1.274 -0.178 -1.665) 2.104 1.412 ( 1.469 -0.907 -2.851) 3.333 1.459 ( -1.857 -1.750 -1.849) 3.151 1.528 ( 1.344 -1.045 2.867) 3.334 1.647 ( 2.178 -1.160 -4.780) 5.380 1.707 ( 2.353 2.852 3.341) 4.983 1.922 ( -5.043 0.430 -4.735) 6.931 2.035 ( 3.055 -0.079 8.890) 9.401 2.107 ( 0.848 0.175 7.558) 7.608 2.508 ( -1.402 7.135 -3.744) 8.179 2.592 ( 0.350 0.691 -4.841) 4.903 2.740 ( 1.124 -1.813 -1.258) 2.477 2.859 ( -0.144 1.643 -1.282) 2.088 3.018 ( -2.001 2.654 5.441) 6.376 3.096 ( 0.034 1.851 -0.734) 1.992 3.276 ( -0.704 2.144 0.348) 2.284 3.431 ( -4.310 3.822 -3.859) 6.934 3.906 ( 2.989 -0.206 1.242) 3.244 3.992 ( -2.258 -0.890 1.134) 2.679 4.110 ( 10.618 -5.550 -2.349) 12.209 4.322 ( -4.505 -4.074 6.890) 9.185 4.381 ( -1.203 -1.742 -0.562) 2.191 4.548 ( -1.318 -0.520 -4.020) 4.262 4.730 ( 4.004 6.336 -3.017) 8.080 4.821 ( -4.135 2.780 -1.105) 5.104 6.568 ( 9.381 4.237 3.008) 10.724 6.641 ( 13.529 8.692 2.521) 16.277 6.846 ( -4.271 1.511 -2.726) 5.287 6.988 ( -10.081 8.586 -0.422) 13.248 7.828 ( 4.322 1.452 0.545) 4.592 7.956 ( 2.036 -1.203 1.137) 2.624 8.025 ( -0.088 -1.088 -0.994) 1.476 8.054 ( -2.055 1.921 -4.770) 5.538 8.385 ( -1.115 -1.913 6.041) 6.434 8.552 ( -0.987 -2.712 -5.394) 6.118 8.930 ( -2.147 -0.999 7.314) 7.688 9.064 ( 2.887 -0.918 -6.773) 7.419 9.261 ( 1.293 -1.474 2.480) 3.162 9.322 ( -1.105 -0.821 0.204) 1.392 9.422 ( 1.886 0.380 2.944) 3.517 9.633 ( -1.186 -1.274 -3.230) 3.669 9.658 ( -0.777 0.985 -0.591) 1.387 9.749 ( -3.024 0.082 -1.813) 3.526 10.064 ( 2.128 0.220 -0.017) 2.140 10.093 ( -2.603 -0.706 2.181) 3.469 ======================= Grid point 153 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -1.710 0.207 2.789) 3.278 0.780 ( 1.421 -1.177 -1.887) 2.639 0.845 ( 0.867 3.545 0.410) 3.673 0.868 ( 0.461 4.199 -1.677) 4.545 1.007 ( -0.281 0.009 1.984) 2.004 1.043 ( 0.022 -0.412 -1.859) 1.904 1.088 ( 0.337 1.971 1.677) 2.610 1.119 ( -0.049 1.716 -1.459) 2.253 1.212 ( 0.234 -0.549 4.667) 4.705 1.296 ( 0.122 -1.005 -2.938) 3.108 1.410 ( -2.162 0.752 1.585) 2.785 1.456 ( 0.745 0.222 -2.143) 2.279 1.563 ( 0.442 -1.078 2.142) 2.438 1.627 ( 0.427 2.456 -2.178) 3.310 1.740 ( 3.429 -0.168 3.275) 4.745 1.844 ( -5.323 0.021 -5.746) 7.832 2.099 ( 1.449 -0.773 5.883) 6.108 2.137 ( 0.589 0.387 4.467) 4.522 2.336 ( -3.963 7.567 5.968) 10.420 2.546 ( 2.093 2.910 -12.047) 12.569 2.786 ( 1.020 -0.616 1.276) 1.746 2.828 ( 0.182 0.934 -2.035) 2.247 2.962 ( -3.436 2.043 5.185) 6.547 3.049 ( 1.364 2.749 -3.419) 4.594 3.254 ( -0.779 0.134 4.949) 5.012 3.372 ( 2.421 -0.313 -7.116) 7.523 3.930 ( 0.719 1.094 2.625) 2.933 3.965 ( -0.985 0.601 -0.573) 1.288 4.279 ( 3.603 -1.289 1.597) 4.146 4.322 ( -4.208 -2.243 -1.002) 4.873 4.458 ( 1.365 -3.689 5.690) 6.917 4.517 ( -2.814 -2.106 -0.044) 3.516 4.687 ( 5.147 4.324 -0.821) 6.773 4.756 ( -3.015 -2.226 -7.248) 8.159 6.557 ( 1.098 10.395 7.186) 12.685 6.632 ( -0.233 6.202 8.592) 10.599 6.698 ( -0.964 8.527 -7.397) 11.329 6.787 ( 0.998 2.456 -7.774) 8.213 7.835 ( -2.352 2.231 4.657) 5.674 7.950 ( 1.422 1.656 -6.660) 7.008 7.998 ( -1.049 0.678 1.347) 1.837 8.036 ( 2.522 0.223 -3.943) 4.686 8.449 ( -1.404 -3.377 7.340) 8.200 8.576 ( 1.074 -2.753 -6.202) 6.870 8.948 ( -2.532 -1.164 7.168) 7.691 9.082 ( 2.283 -0.805 -6.824) 7.240 9.318 ( 0.675 -2.542 2.151) 3.398 9.340 ( -0.185 -2.279 0.432) 2.327 9.472 ( 2.751 -0.688 4.717) 5.503 9.586 ( -2.097 -0.085 -6.714) 7.034 9.678 ( 1.760 -0.158 1.614) 2.393 9.711 ( -2.213 -0.377 -1.921) 2.955 10.073 ( -2.602 -0.170 2.204) 3.414 10.092 ( 1.635 -0.218 0.127) 1.654 ======================= Grid point 154 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -0.436 2.464 4.307) 4.981 0.782 ( 0.618 2.698 -1.935) 3.377 0.794 ( -0.072 2.131 -0.364) 2.163 0.810 ( 1.719 3.015 -0.861) 3.576 1.007 ( -2.796 2.974 0.481) 4.110 1.017 ( -1.194 -0.954 1.196) 1.940 1.072 ( 0.451 -0.935 -1.043) 1.472 1.092 ( 1.826 1.660 -0.748) 2.578 1.237 ( -0.471 -0.350 4.036) 4.078 1.279 ( -1.591 0.451 -4.781) 5.059 1.377 ( -1.936 1.780 3.873) 4.682 1.449 ( 2.321 1.266 0.705) 2.736 1.566 ( -2.214 -0.036 0.986) 2.424 1.631 ( 2.002 -2.079 -2.850) 4.056 1.741 ( -4.137 2.091 -4.701) 6.602 1.795 ( 2.700 0.743 4.113) 4.976 2.093 ( -4.137 0.710 0.723) 4.260 2.157 ( 1.646 -0.276 2.311) 2.851 2.277 ( 2.088 3.545 12.170) 12.846 2.462 ( 3.514 4.520 -14.135) 15.250 2.784 ( -0.628 0.971 -0.047) 1.158 2.815 ( 2.717 2.669 0.989) 3.935 2.919 ( -4.563 -0.962 2.370) 5.231 3.047 ( 4.020 0.557 -1.808) 4.443 3.286 ( 0.179 -1.707 5.166) 5.444 3.418 ( 4.856 -2.594 -6.863) 8.798 3.908 ( -1.140 0.639 0.867) 1.568 3.955 ( 1.610 1.705 -0.685) 2.443 4.259 ( -4.381 -0.176 1.239) 4.556 4.340 ( 1.561 -0.206 -0.426) 1.631 4.427 ( -9.147 -1.873 3.434) 9.948 4.624 ( 4.517 -0.651 -1.054) 4.684 4.712 ( 3.167 -2.442 8.077) 9.013 4.777 ( -0.232 -6.369 -10.932) 12.654 6.317 ( -9.100 8.874 2.635) 12.980 6.492 ( -9.545 5.898 4.555) 12.110 6.626 ( 13.636 10.573 -2.532) 17.440 6.777 ( 7.740 3.949 -6.565) 10.891 7.746 ( -5.862 1.824 2.703) 6.708 7.931 ( 2.229 2.754 -1.974) 4.056 8.005 ( 2.475 -0.840 -0.944) 2.779 8.046 ( 2.442 0.591 -3.950) 4.681 8.496 ( -3.441 -2.888 5.172) 6.850 8.613 ( 2.068 -1.433 -4.324) 5.003 8.963 ( -3.349 -1.447 7.144) 8.021 9.092 ( 1.418 -0.800 -6.148) 6.359 9.368 ( -0.827 -2.840 1.573) 3.350 9.393 ( -0.065 -3.631 -0.397) 3.653 9.479 ( -4.966 -1.203 -1.824) 5.425 9.596 ( 5.484 0.690 -0.322) 5.537 9.675 ( -1.318 -1.153 0.262) 1.771 9.736 ( 2.733 -1.127 0.499) 2.998 10.042 ( -3.523 0.419 1.679) 3.925 10.118 ( 1.957 0.156 0.898) 2.159 ======================= Grid point 158 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.424 0.000 6.565) 6.579 0.843 ( 0.558 0.000 -4.993) 5.024 0.859 ( 0.506 0.000 2.412) 2.464 0.936 ( 3.687 0.000 -1.767) 4.089 0.997 ( 1.153 0.000 0.483) 1.250 1.002 ( 2.877 0.000 2.753) 3.982 1.089 ( -0.838 -0.000 -1.326) 1.568 1.183 ( 4.288 0.000 -0.454) 4.312 1.244 ( -2.750 -0.000 -3.047) 4.105 1.317 ( 3.803 0.000 -0.838) 3.894 1.347 ( 1.165 0.000 0.992) 1.530 1.376 ( -0.203 -0.000 -3.892) 3.898 1.516 ( -4.106 -0.000 3.843) 5.624 1.586 ( 0.286 0.000 -4.820) 4.829 1.832 ( 0.380 0.000 -0.382) 0.539 1.985 ( 2.793 0.000 12.623) 12.928 2.042 ( -4.998 -0.000 -2.221) 5.469 2.063 ( 0.226 0.000 7.658) 7.661 2.517 ( 4.473 0.000 4.363) 6.248 2.612 ( 8.514 0.000 -13.375) 15.855 2.811 ( -5.162 -0.000 -7.566) 9.159 2.928 ( 1.779 0.000 -0.767) 1.937 3.064 ( 8.060 0.000 8.588) 11.777 3.085 ( 3.993 0.000 0.566) 4.033 3.319 ( 1.883 0.000 3.650) 4.107 3.466 ( 4.944 0.000 -3.678) 6.162 3.936 ( -2.285 -0.000 -0.253) 2.299 3.963 ( -2.437 -0.000 -5.501) 6.016 4.084 ( -9.776 -0.000 2.715) 10.146 4.128 ( -8.204 -0.000 -0.211) 8.206 4.289 ( 1.926 0.000 7.346) 7.595 4.564 ( 5.037 0.000 -12.578) 13.549 4.962 ( -3.618 -0.000 7.260) 8.112 5.027 ( 2.397 0.000 -5.447) 5.951 6.615 ( 4.724 0.000 3.975) 6.174 6.716 ( 8.549 0.000 -6.875) 10.970 6.949 ( 12.811 0.000 2.064) 12.976 7.124 ( 11.182 0.000 5.009) 12.253 7.745 ( -0.269 -0.000 2.794) 2.806 7.896 ( 0.006 0.000 -4.027) 4.027 8.068 ( 2.263 0.000 -4.332) 4.888 8.079 ( -2.420 -0.000 0.755) 2.535 8.387 ( -5.998 -0.000 5.965) 8.459 8.518 ( -0.349 -0.000 -6.003) 6.013 8.910 ( -3.605 -0.000 7.769) 8.565 9.024 ( 2.352 0.000 -5.890) 6.342 9.229 ( -0.801 -0.000 1.258) 1.491 9.332 ( -1.730 -0.000 -1.092) 2.046 9.434 ( -2.711 -0.000 5.185) 5.851 9.638 ( 0.211 0.000 -3.563) 3.569 9.679 ( -0.883 -0.000 0.601) 1.068 9.806 ( -3.430 -0.000 -2.893) 4.488 10.043 ( 2.547 0.000 -0.520) 2.599 10.083 ( -1.566 -0.000 2.556) 2.997 ======================= Grid point 159 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.694 -1.211 5.486) 5.661 0.810 ( -0.029 1.546 -3.995) 4.284 0.879 ( 1.140 -0.303 1.382) 1.817 0.950 ( -0.812 -0.217 -1.433) 1.662 1.013 ( 2.816 0.470 1.167) 3.085 1.051 ( 0.519 -1.145 1.754) 2.158 1.086 ( 1.452 -0.142 -0.183) 1.470 1.193 ( -0.917 0.836 -1.783) 2.172 1.227 ( 0.817 0.767 1.695) 2.032 1.334 ( -0.092 1.675 -0.960) 1.933 1.360 ( 1.839 -1.274 -4.272) 4.822 1.395 ( 1.005 -1.856 -0.510) 2.171 1.487 ( -1.377 -0.353 3.293) 3.587 1.579 ( 0.480 -1.165 -5.055) 5.209 1.820 ( 1.674 2.481 1.082) 3.182 1.965 ( -5.178 1.231 -2.265) 5.785 2.050 ( 1.236 0.472 12.258) 12.329 2.103 ( 0.909 -0.221 8.100) 8.154 2.593 ( 5.323 -0.102 0.972) 5.412 2.633 ( 3.274 0.724 -9.250) 9.839 2.714 ( -4.884 0.162 -6.321) 7.990 2.896 ( -3.207 0.621 -4.853) 5.850 3.124 ( 4.143 2.580 4.638) 6.733 3.148 ( 2.827 1.306 4.066) 5.121 3.364 ( 5.799 2.375 0.664) 6.301 3.527 ( -0.058 -0.517 0.525) 0.739 3.847 ( -0.862 0.475 -0.482) 1.096 3.950 ( -1.661 -1.527 -2.106) 3.087 4.016 ( -0.107 -0.713 -1.537) 1.698 4.112 ( -8.779 -6.154 0.267) 10.725 4.338 ( 0.872 -0.530 7.148) 7.220 4.566 ( 3.735 0.460 -11.709) 12.298 4.913 ( -3.670 3.553 6.426) 8.209 4.995 ( 2.025 4.831 -4.486) 6.897 6.649 ( 4.666 1.856 3.064) 5.883 6.781 ( 2.723 -1.113 -4.562) 5.428 7.017 ( 11.971 8.017 2.389) 14.605 7.207 ( -0.917 3.192 2.410) 4.104 7.783 ( 1.412 -3.001 3.395) 4.746 7.912 ( 1.385 -2.980 -3.220) 4.600 8.008 ( 0.418 2.996 -1.410) 3.338 8.087 ( -2.471 -0.791 -3.028) 3.988 8.355 ( -4.069 -0.300 6.865) 7.985 8.498 ( 0.273 -0.481 -6.338) 6.362 8.906 ( -2.651 -0.393 7.477) 7.943 9.036 ( 2.943 -0.585 -6.620) 7.268 9.236 ( 0.520 -0.283 2.081) 2.164 9.311 ( -1.256 -0.094 -1.394) 1.879 9.432 ( -1.164 0.029 6.279) 6.386 9.620 ( 0.033 0.241 -5.313) 5.318 9.678 ( 0.033 0.223 0.606) 0.647 9.757 ( -3.088 0.213 -2.156) 3.772 10.067 ( 1.905 -0.061 -0.400) 1.947 10.076 ( -1.746 -0.293 2.196) 2.821 ======================= Grid point 160 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.708 -1.143 2.560) 2.892 0.773 ( -0.218 1.248 -2.773) 3.049 0.905 ( 1.939 -0.015 0.810) 2.102 0.928 ( -1.431 0.292 -1.304) 1.958 1.034 ( 0.660 0.414 1.220) 1.447 1.054 ( -0.765 0.165 -0.664) 1.026 1.120 ( 1.706 0.115 2.601) 3.112 1.160 ( -1.653 0.480 -1.544) 2.312 1.219 ( 0.513 1.798 3.949) 4.369 1.283 ( -1.014 0.943 -2.327) 2.708 1.400 ( -1.899 -1.693 -1.555) 2.981 1.405 ( 1.453 -0.712 -2.356) 2.858 1.522 ( -0.067 -2.147 3.290) 3.930 1.610 ( 2.855 -2.654 -6.356) 7.457 1.804 ( 2.198 3.393 3.562) 5.388 1.872 ( -4.177 1.835 -3.297) 5.629 2.091 ( -0.359 0.213 10.390) 10.398 2.144 ( 0.901 0.042 5.983) 6.051 2.535 ( -7.289 3.797 -1.804) 8.414 2.614 ( 3.918 1.237 -8.039) 9.028 2.738 ( 3.994 -1.606 2.183) 4.827 2.828 ( -4.268 -0.449 -5.485) 6.964 3.105 ( -0.256 4.623 5.070) 6.866 3.143 ( 0.645 2.576 1.696) 3.151 3.363 ( 3.641 5.378 1.562) 6.680 3.436 ( -1.248 3.585 -5.192) 6.431 3.913 ( -2.717 -3.162 3.455) 5.414 3.957 ( 1.332 -0.694 -0.995) 1.802 4.107 ( -2.003 -5.860 -0.367) 6.204 4.131 ( 3.088 -7.597 -3.053) 8.751 4.381 ( 0.109 -1.067 6.722) 6.807 4.541 ( 0.849 1.384 -8.809) 8.957 4.815 ( -5.091 4.650 4.811) 8.408 4.904 ( 3.952 7.338 -4.224) 9.344 6.682 ( 0.106 0.880 4.828) 4.908 6.774 ( -0.437 0.569 -4.802) 4.856 7.000 ( 5.847 10.447 2.271) 12.186 7.026 ( -4.640 9.004 -0.672) 10.152 7.853 ( -1.248 -1.972 4.685) 5.234 7.977 ( 1.518 -1.046 -6.841) 7.085 7.997 ( 3.620 -1.143 1.489) 4.078 8.033 ( -3.990 0.782 -2.457) 4.750 8.361 ( -1.967 -1.351 7.707) 8.068 8.497 ( 1.599 -1.379 -6.778) 7.100 8.917 ( -2.199 -0.812 7.230) 7.600 9.056 ( 2.842 -0.806 -7.311) 7.885 9.265 ( 1.335 -0.875 2.005) 2.562 9.298 ( -0.888 -0.507 -1.225) 1.595 9.455 ( 0.312 -0.279 6.797) 6.809 9.588 ( -0.186 0.271 -7.056) 7.063 9.686 ( 1.843 0.388 1.267) 2.270 9.714 ( -2.411 0.418 -1.636) 2.943 10.066 ( -2.150 -0.185 2.059) 2.983 10.087 ( 1.611 -0.138 -0.192) 1.628 ======================= Grid point 161 (82/93) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.217 0.805 0.397) 0.923 0.763 ( 1.048 -1.841 -0.905) 2.303 0.898 ( -0.933 1.102 -1.862) 2.356 0.914 ( 1.505 2.229 0.119) 2.692 1.014 ( -1.826 0.723 0.522) 2.032 1.044 ( 0.407 0.760 -0.229) 0.892 1.116 ( -1.061 1.690 1.894) 2.751 1.129 ( -1.121 0.692 -1.381) 1.909 1.226 ( -0.070 -0.221 3.759) 3.767 1.273 ( 0.770 -0.069 -2.591) 2.703 1.375 ( -3.814 -1.254 0.490) 4.044 1.444 ( 1.531 -1.859 -0.966) 2.595 1.553 ( -1.742 -1.500 1.914) 2.992 1.642 ( 1.578 0.540 -5.731) 5.969 1.771 ( -3.233 0.862 -0.713) 3.421 1.821 ( 2.771 2.272 3.281) 4.859 2.106 ( -2.728 0.072 5.307) 5.967 2.149 ( -1.441 0.511 1.007) 1.831 2.404 ( -4.106 3.504 6.218) 8.235 2.599 ( 4.089 2.750 -7.591) 9.050 2.784 ( -1.794 -1.588 -3.270) 4.054 2.810 ( 1.783 -0.474 1.745) 2.539 3.022 ( -2.391 4.809 5.463) 7.661 3.101 ( 0.831 2.545 -2.248) 3.496 3.313 ( 2.362 2.775 0.172) 3.648 3.413 ( 7.339 3.259 -4.259) 9.089 3.907 ( -4.820 -1.630 1.219) 5.232 3.990 ( 2.711 0.160 1.044) 2.910 4.109 ( -10.730 -6.913 -1.151) 12.815 4.332 ( 6.698 -2.515 0.511) 7.173 4.450 ( 2.040 -3.427 4.372) 5.918 4.470 ( -2.438 0.817 -3.065) 4.001 4.702 ( -4.284 2.588 -1.201) 5.147 4.834 ( 5.673 6.218 -2.022) 8.656 6.593 ( -10.984 4.167 1.230) 11.812 6.650 ( -12.978 6.810 1.173) 14.703 6.848 ( 5.523 2.639 -2.963) 6.801 6.981 ( 11.494 9.656 0.244) 15.014 7.813 ( -7.417 1.814 2.495) 8.033 7.983 ( -2.669 -0.265 -0.500) 2.728 8.002 ( 4.859 0.179 -2.397) 5.421 8.045 ( 1.801 -0.640 -1.794) 2.621 8.395 ( -2.772 -2.288 5.978) 6.975 8.539 ( 3.836 -2.519 -5.031) 6.810 8.930 ( -2.540 -0.752 7.062) 7.543 9.071 ( 2.476 -0.649 -7.310) 7.745 9.294 ( -0.671 -1.313 0.056) 1.476 9.309 ( 0.832 -1.454 0.378) 1.717 9.461 ( -3.446 0.203 1.707) 3.851 9.599 ( 5.665 -0.850 -3.033) 6.481 9.670 ( -1.817 0.876 -0.895) 2.207 9.719 ( 2.726 -0.092 1.311) 3.026 10.047 ( -2.705 0.084 1.871) 3.290 10.110 ( 1.668 -0.390 0.358) 1.750 ======================= Grid point 162 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.190 -0.508 2.279) 2.343 0.806 ( 1.655 -1.101 -1.497) 2.488 0.853 ( -0.237 4.597 -1.612) 4.877 0.862 ( 0.068 2.147 -1.665) 2.718 0.994 ( -1.834 -0.343 0.322) 1.894 1.020 ( -2.678 2.249 1.460) 3.790 1.073 ( 0.188 1.037 -0.381) 1.121 1.112 ( -0.177 0.055 -0.898) 0.917 1.223 ( -2.932 -0.755 -1.610) 3.429 1.276 ( 1.769 1.166 1.398) 2.539 1.371 ( -2.057 -1.132 2.822) 3.671 1.484 ( 1.564 -0.404 0.218) 1.630 1.545 ( -2.184 -0.136 -0.032) 2.188 1.612 ( -0.446 0.147 -2.014) 2.068 1.713 ( -1.576 1.241 -5.010) 5.396 1.848 ( 1.035 1.013 7.458) 7.597 2.058 ( -3.915 0.243 0.019) 3.923 2.142 ( -1.588 -0.998 1.121) 2.185 2.380 ( 1.398 1.689 6.105) 6.487 2.557 ( 4.234 4.620 -5.656) 8.441 2.790 ( 0.075 -1.179 -2.797) 3.036 2.819 ( -1.180 -0.148 1.313) 1.772 2.964 ( 1.360 3.762 5.744) 7.000 3.090 ( 2.854 0.579 -2.385) 3.765 3.325 ( 3.862 1.140 1.102) 4.175 3.442 ( 7.190 1.365 -4.994) 8.860 3.885 ( -2.775 -0.958 0.024) 2.936 4.001 ( 1.033 1.657 0.306) 1.976 4.092 ( -11.233 -6.831 -1.169) 13.198 4.362 ( -4.193 2.770 3.887) 6.353 4.375 ( 0.387 0.302 0.979) 1.095 4.628 ( 3.250 -4.085 3.838) 6.479 4.645 ( -0.454 -3.318 -7.794) 8.483 4.809 ( 4.838 3.936 0.286) 6.243 6.341 ( -9.773 7.119 -0.384) 12.097 6.450 ( -10.996 3.083 0.430) 11.428 6.878 ( 5.864 1.955 -2.333) 6.607 6.955 ( 11.092 9.107 0.128) 14.353 7.713 ( -5.321 1.215 1.997) 5.812 7.950 ( -2.641 0.648 0.791) 2.832 8.033 ( 2.669 0.794 -1.144) 3.010 8.072 ( 2.954 -0.483 -3.330) 4.478 8.416 ( -3.673 -2.781 3.339) 5.690 8.606 ( 3.199 -1.663 -2.365) 4.312 8.936 ( -3.045 -0.642 7.072) 7.726 9.077 ( 1.702 -0.329 -6.764) 6.982 9.310 ( -1.651 -2.371 -1.325) 3.179 9.346 ( 0.139 -1.824 0.744) 1.975 9.414 ( -2.791 0.113 -1.769) 3.306 9.631 ( -2.111 0.214 -0.865) 2.291 9.689 ( 6.996 -0.503 0.414) 7.026 9.759 ( 2.633 -0.353 1.301) 2.958 10.017 ( -2.916 0.322 1.457) 3.276 10.138 ( 1.307 -0.416 1.293) 1.885 ======================= Grid point 167 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.681 0.000 6.201) 6.238 0.805 ( -0.225 -0.000 -4.739) 4.744 0.893 ( 0.733 0.000 2.017) 2.146 0.933 ( -0.820 -0.000 -2.052) 2.210 1.042 ( -0.938 -0.000 0.926) 1.318 1.042 ( 1.045 0.000 0.603) 1.207 1.113 ( 3.031 0.000 1.021) 3.198 1.152 ( -3.139 -0.000 -2.884) 4.263 1.273 ( 2.156 0.000 2.677) 3.437 1.310 ( -3.996 -0.000 -2.143) 4.534 1.371 ( -0.216 -0.000 0.189) 0.287 1.396 ( 2.054 0.000 -2.422) 3.176 1.482 ( 0.775 0.000 2.545) 2.660 1.560 ( 2.118 0.000 -6.224) 6.574 1.871 ( 2.838 0.000 2.177) 3.577 1.909 ( -5.120 -0.000 -1.341) 5.292 2.098 ( -1.186 -0.000 11.458) 11.520 2.145 ( 1.161 0.000 7.406) 7.497 2.598 ( -5.991 -0.000 -4.083) 7.250 2.638 ( 2.823 0.000 -9.541) 9.950 2.700 ( 5.576 0.000 4.328) 7.058 2.817 ( -6.299 -0.000 -7.137) 9.519 3.181 ( 0.681 0.000 3.531) 3.596 3.198 ( -0.390 -0.000 1.949) 1.987 3.499 ( 8.179 0.000 0.814) 8.219 3.514 ( -2.901 -0.000 -0.351) 2.922 3.793 ( -7.724 -0.000 5.422) 9.437 3.902 ( 4.135 0.000 -6.074) 7.348 4.010 ( 1.125 0.000 -0.437) 1.207 4.025 ( 0.149 0.000 -1.964) 1.970 4.363 ( -0.629 -0.000 7.365) 7.392 4.562 ( 2.747 0.000 -12.729) 13.022 4.918 ( -5.116 -0.000 8.763) 10.147 5.050 ( 2.815 0.000 -5.089) 5.816 6.687 ( -1.188 -0.000 4.197) 4.362 6.775 ( 1.162 0.000 -5.225) 5.353 7.210 ( 6.198 0.000 2.420) 6.654 7.221 ( -5.517 -0.000 0.794) 5.574 7.770 ( -0.157 -0.000 4.981) 4.984 7.890 ( 2.936 0.000 -6.605) 7.228 8.023 ( -2.174 -0.000 0.504) 2.232 8.041 ( -0.916 -0.000 -2.386) 2.556 8.348 ( -1.719 -0.000 7.520) 7.713 8.482 ( 1.559 0.000 -6.654) 6.835 8.902 ( -2.162 -0.000 7.122) 7.443 9.040 ( 3.130 0.000 -7.351) 7.989 9.251 ( 1.333 0.000 2.059) 2.453 9.291 ( -0.832 -0.000 -2.128) 2.285 9.452 ( 0.064 0.000 8.154) 8.154 9.596 ( -0.483 -0.000 -7.003) 7.019 9.694 ( 1.405 0.000 1.325) 1.931 9.724 ( -1.736 -0.000 -1.791) 2.494 10.062 ( -1.813 -0.000 1.896) 2.623 10.083 ( 1.435 0.000 -0.362) 1.480 ======================= Grid point 168 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.056 -0.108 4.423) 4.425 0.779 ( 0.235 0.812 -4.756) 4.830 0.909 ( -0.780 -0.054 -0.575) 0.970 0.919 ( 0.263 -0.763 0.657) 1.041 1.026 ( -2.438 0.183 -0.029) 2.445 1.054 ( 0.406 -0.208 0.848) 0.963 1.118 ( -2.170 -0.958 -2.782) 3.655 1.151 ( 1.596 0.080 2.375) 2.863 1.248 ( -3.436 0.442 -0.598) 3.515 1.291 ( 0.884 0.979 2.516) 2.841 1.346 ( -3.768 0.335 -1.237) 3.980 1.404 ( 0.741 -0.726 -1.864) 2.134 1.510 ( 1.137 -0.233 1.363) 1.790 1.593 ( 4.794 -1.724 -6.753) 8.459 1.836 ( -4.467 1.830 0.109) 4.829 1.907 ( 4.009 1.716 3.025) 5.307 2.110 ( -2.656 0.215 8.049) 8.479 2.167 ( -0.957 0.401 3.163) 3.329 2.493 ( -7.181 1.918 0.514) 7.451 2.635 ( 1.418 -0.148 -4.702) 4.914 2.735 ( -3.846 -0.972 -6.216) 7.374 2.792 ( 5.184 -0.580 5.243) 7.396 3.149 ( -5.301 2.177 2.085) 6.098 3.176 ( -1.210 1.465 0.819) 2.069 3.421 ( -3.006 3.627 -4.073) 6.227 3.531 ( 1.268 0.376 0.078) 1.325 3.796 ( -1.725 -1.387 3.115) 3.821 3.955 ( 1.298 -1.872 -1.578) 2.771 4.017 ( 1.288 0.639 -0.549) 1.539 4.123 ( 10.349 -6.420 -2.120) 12.362 4.380 ( -1.857 -0.694 6.749) 7.034 4.530 ( 0.556 0.759 -11.752) 11.789 4.856 ( -5.492 4.354 8.489) 11.008 5.029 ( 3.341 3.927 -4.249) 6.681 6.658 ( -6.541 1.287 2.764) 7.216 6.763 ( -1.147 -0.493 -3.176) 3.412 7.041 ( -11.609 7.645 -0.283) 13.903 7.225 ( 2.624 3.486 0.901) 4.456 7.804 ( -2.056 -1.706 3.648) 4.522 7.916 ( 0.235 -3.350 -6.860) 7.638 7.993 ( -2.041 1.217 0.242) 2.388 8.049 ( 3.080 -0.245 1.341) 3.368 8.366 ( -0.339 -0.012 7.161) 7.169 8.486 ( 3.177 -0.575 -6.394) 7.163 8.909 ( -1.837 -0.429 6.667) 6.929 9.051 ( 3.241 -0.376 -7.761) 8.419 9.275 ( -0.007 -0.085 -0.849) 0.853 9.282 ( 1.278 -0.441 0.353) 1.397 9.484 ( 0.329 0.762 6.830) 6.880 9.569 ( 0.601 -0.615 -5.833) 5.896 9.700 ( -0.083 0.669 -1.607) 1.743 9.720 ( 2.232 0.006 1.547) 2.716 10.047 ( -2.199 -0.084 1.702) 2.782 10.099 ( 1.247 -0.234 -0.174) 1.281 ======================= Grid point 169 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -1.096 -0.736 -0.509) 1.415 0.759 ( 0.877 0.411 -0.930) 1.343 0.884 ( -1.668 0.340 -1.816) 2.489 0.941 ( -1.597 -0.537 0.617) 1.794 0.983 ( -2.462 0.352 -0.555) 2.548 1.062 ( -0.038 0.293 1.414) 1.445 1.109 ( -0.960 -0.940 -2.755) 3.065 1.138 ( -1.558 1.700 1.678) 2.852 1.221 ( -2.154 1.141 0.354) 2.463 1.296 ( -1.127 -2.046 1.968) 3.055 1.315 ( 0.489 0.325 1.493) 1.604 1.424 ( 0.416 -1.634 -0.323) 1.717 1.516 ( -0.739 -0.263 -0.701) 1.052 1.640 ( 2.485 -0.774 -6.215) 6.738 1.756 ( -3.347 2.257 0.088) 4.038 1.924 ( 3.720 3.063 4.811) 6.810 2.078 ( -5.288 0.985 0.719) 5.427 2.137 ( -2.762 0.340 1.354) 3.095 2.416 ( -3.886 0.657 5.542) 6.800 2.630 ( -1.272 -0.673 -3.004) 3.330 2.729 ( 2.126 -0.819 -2.530) 3.405 2.857 ( 2.616 0.660 3.751) 4.621 3.051 ( -5.437 1.963 2.958) 6.493 3.130 ( -0.464 1.803 -2.312) 2.969 3.356 ( 1.577 1.335 -4.648) 5.086 3.538 ( -0.842 -0.801 0.019) 1.162 3.804 ( -0.141 -0.283 1.395) 1.431 3.962 ( -2.170 -0.615 -1.529) 2.725 4.030 ( 2.380 0.560 0.763) 2.561 4.359 ( 8.506 -4.755 -0.429) 9.754 4.399 ( -0.766 -3.884 4.006) 5.632 4.463 ( -1.955 1.958 -6.658) 7.210 4.727 ( -5.453 5.915 5.272) 9.619 4.983 ( 4.498 5.289 -2.830) 7.498 6.522 ( -10.875 2.801 0.260) 11.233 6.609 ( -15.343 7.577 0.111) 17.113 6.905 ( 1.475 -0.062 -1.979) 2.469 7.183 ( 1.450 4.023 -0.628) 4.322 7.769 ( -5.897 1.208 1.475) 6.198 7.934 ( -2.021 -1.028 -0.049) 2.268 7.991 ( 1.558 -2.816 -2.783) 4.255 8.083 ( 2.104 1.063 1.018) 2.568 8.382 ( -0.411 0.442 4.843) 4.881 8.536 ( 4.732 -2.060 -3.861) 6.446 8.919 ( -1.984 -0.441 6.307) 6.626 9.065 ( 3.079 -0.322 -7.786) 8.379 9.268 ( -0.431 -0.421 -1.813) 1.911 9.312 ( 1.569 -0.395 1.316) 2.085 9.459 ( -1.269 2.384 0.481) 2.744 9.597 ( 0.388 -1.643 -0.637) 1.804 9.703 ( 4.297 0.456 -1.387) 4.538 9.755 ( 2.503 0.011 2.016) 3.214 10.026 ( -2.674 0.110 1.520) 3.078 10.120 ( 1.323 -0.538 0.320) 1.464 ======================= Grid point 170 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.033 -1.113 -0.575) 1.253 0.782 ( 0.149 -2.136 0.563) 2.213 0.850 ( -3.329 -0.701 -2.160) 4.029 0.888 ( -3.489 1.641 -0.819) 3.941 0.973 ( 0.081 0.427 0.155) 0.461 1.043 ( -1.529 2.159 1.912) 3.264 1.099 ( 0.318 1.055 -1.614) 1.954 1.103 ( -0.626 0.368 -0.580) 0.929 1.174 ( -2.445 0.329 -0.840) 2.606 1.322 ( 1.262 0.066 1.033) 1.632 1.347 ( 0.477 -0.780 5.065) 5.147 1.469 ( -0.020 -3.192 1.400) 3.485 1.504 ( -2.122 -0.770 -1.159) 2.538 1.604 ( -2.196 1.995 -3.343) 4.470 1.709 ( 0.561 0.788 -3.769) 3.891 1.924 ( 1.112 3.553 5.974) 7.039 2.010 ( -3.129 -0.840 -0.547) 3.285 2.117 ( -2.061 -0.101 1.788) 2.730 2.410 ( -0.763 -0.689 2.189) 2.418 2.617 ( -0.145 -0.007 -1.604) 1.611 2.756 ( 1.912 -0.017 -1.487) 2.423 2.852 ( -0.075 2.233 1.238) 2.554 3.015 ( -1.192 -0.067 5.434) 5.563 3.112 ( 1.591 0.094 -2.831) 3.249 3.360 ( 2.492 -0.342 -4.234) 4.925 3.539 ( -1.550 -0.994 -0.073) 1.842 3.819 ( 1.174 -0.421 0.598) 1.383 3.932 ( -2.484 -0.034 -1.259) 2.785 4.031 ( -0.277 1.494 0.117) 1.524 4.363 ( -2.283 1.546 -0.915) 2.905 4.399 ( -1.343 1.097 4.130) 4.479 4.576 ( 4.099 -4.994 -2.533) 6.940 4.621 ( -2.124 0.830 2.959) 3.736 4.936 ( 4.088 5.330 -2.276) 7.093 6.330 ( -10.514 5.424 -0.074) 11.831 6.365 ( -10.160 1.520 -0.021) 10.273 6.931 ( 2.195 0.008 -2.430) 3.275 7.133 ( 0.768 2.871 -1.007) 3.137 7.690 ( -3.780 1.283 2.314) 4.614 7.926 ( -0.800 -0.196 -0.809) 1.155 8.046 ( 0.166 -1.689 -2.085) 2.688 8.080 ( 1.430 0.372 0.309) 1.509 8.380 ( -0.859 0.463 3.089) 3.240 8.609 ( 3.680 -1.731 -1.812) 4.452 8.925 ( -2.062 -0.219 6.388) 6.716 9.071 ( 2.472 0.049 -7.593) 7.985 9.265 ( -0.656 -0.650 -1.695) 1.930 9.337 ( 0.672 -0.366 1.446) 1.636 9.408 ( -0.606 1.940 -0.614) 2.123 9.603 ( -1.218 -0.623 -0.507) 1.459 9.755 ( 4.323 0.247 -0.225) 4.336 9.792 ( 3.152 -0.119 0.842) 3.265 9.997 ( -2.524 0.236 1.200) 2.805 10.147 ( 0.925 -0.597 1.276) 1.685 ======================= Grid point 176 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -1.015 -0.000 5.299) 5.396 0.766 ( 0.294 0.000 -6.572) 6.579 0.895 ( -1.149 -0.000 -1.459) 1.858 0.897 ( -3.330 -0.000 2.174) 3.977 1.005 ( -1.829 -0.000 -0.241) 1.845 1.055 ( -0.780 -0.000 1.716) 1.885 1.075 ( -0.892 -0.000 -4.413) 4.502 1.179 ( 0.648 0.000 3.490) 3.549 1.187 ( -4.658 -0.000 -1.430) 4.873 1.309 ( -3.357 -0.000 2.205) 4.016 1.326 ( 0.891 0.000 -0.033) 0.892 1.380 ( -0.871 -0.000 -2.697) 2.834 1.534 ( 1.178 0.000 1.316) 1.766 1.618 ( 6.114 0.000 -7.276) 9.503 1.812 ( -3.470 -0.000 2.576) 4.322 1.983 ( 4.389 0.000 3.759) 5.778 2.104 ( -2.990 -0.000 4.711) 5.580 2.143 ( -4.707 -0.000 -1.806) 5.042 2.432 ( -7.981 -0.000 3.343) 8.653 2.589 ( -4.079 -0.000 -2.091) 4.584 2.721 ( 4.114 0.000 -1.419) 4.352 2.861 ( 3.714 0.000 5.426) 6.575 3.082 ( -8.591 -0.000 0.774) 8.626 3.169 ( -2.676 -0.000 -1.852) 3.254 3.412 ( -10.794 -0.000 1.583) 10.909 3.428 ( 0.125 0.000 -6.405) 6.406 3.889 ( 6.825 0.000 2.355) 7.220 3.939 ( 0.239 0.000 -1.230) 1.253 4.102 ( 7.165 0.000 1.643) 7.351 4.143 ( 9.767 0.000 -3.066) 10.237 4.374 ( -2.257 -0.000 6.335) 6.725 4.489 ( -0.673 -0.000 -12.588) 12.606 4.877 ( -4.549 -0.000 10.393) 11.345 5.070 ( 1.793 0.000 -4.317) 4.675 6.612 ( -8.774 -0.000 4.325) 9.782 6.702 ( -4.100 -0.000 -5.201) 6.623 6.967 ( -14.192 -0.000 0.074) 14.192 7.187 ( -8.452 -0.000 -0.960) 8.506 7.819 ( 1.245 0.000 3.668) 3.873 7.841 ( -1.674 -0.000 -7.083) 7.278 7.999 ( -1.643 -0.000 2.813) 3.257 8.081 ( 3.373 0.000 0.136) 3.376 8.397 ( 0.941 0.000 6.818) 6.883 8.500 ( 4.258 0.000 -5.952) 7.319 8.911 ( -1.371 -0.000 5.965) 6.121 9.060 ( 3.825 0.000 -7.918) 8.794 9.264 ( -0.037 -0.000 -2.255) 2.256 9.307 ( 2.344 0.000 1.443) 2.753 9.538 ( 0.076 0.000 -5.494) 5.494 9.540 ( 2.125 0.000 6.926) 7.244 9.707 ( 1.554 0.000 -2.519) 2.960 9.754 ( 2.456 0.000 2.511) 3.513 10.025 ( -2.660 -0.000 1.421) 3.016 10.109 ( 1.184 0.000 -0.136) 1.192 ======================= Grid point 177 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -3.110 1.000 -0.229) 3.275 0.758 ( -0.280 -0.598 -2.555) 2.639 0.842 ( -7.748 0.274 0.829) 7.797 0.886 ( -1.592 -0.746 -0.007) 1.758 0.988 ( 0.115 0.279 0.444) 0.537 1.052 ( -1.686 -1.571 -0.323) 2.327 1.068 ( -0.033 -0.539 -2.804) 2.856 1.140 ( -1.547 0.378 0.108) 1.596 1.211 ( -1.569 -1.703 4.514) 5.073 1.252 ( -2.600 1.231 1.519) 3.253 1.347 ( 1.467 -0.225 1.475) 2.092 1.389 ( -0.495 -2.499 -1.645) 3.033 1.533 ( 0.495 1.766 -0.043) 1.835 1.644 ( 2.949 0.604 -6.180) 6.874 1.771 ( -2.282 2.645 2.597) 4.353 2.018 ( -0.733 1.890 1.800) 2.712 2.041 ( -2.251 2.045 -0.422) 3.070 2.102 ( -2.893 -1.133 1.413) 3.413 2.365 ( -7.525 -1.410 4.662) 8.963 2.564 ( -1.543 -1.578 -2.448) 3.296 2.777 ( 4.875 0.330 1.982) 5.273 2.899 ( 0.593 0.527 1.515) 1.710 3.006 ( -5.093 -0.375 3.270) 6.064 3.110 ( -3.999 -0.403 -6.024) 7.242 3.331 ( -6.851 -1.920 3.360) 7.868 3.424 ( -0.280 -1.337 -5.688) 5.850 3.903 ( 2.109 2.754 0.208) 3.475 3.967 ( 2.893 -0.037 0.184) 2.899 4.115 ( 6.276 5.075 0.462) 8.085 4.339 ( 4.770 -6.643 2.770) 8.635 4.381 ( 2.125 -1.006 1.372) 2.722 4.431 ( -1.108 0.233 -9.519) 9.586 4.803 ( -4.876 6.890 9.357) 12.602 5.067 ( 2.284 1.158 -3.277) 4.158 6.455 ( -12.496 4.133 2.165) 13.338 6.557 ( -14.104 7.075 -1.399) 15.841 6.850 ( -4.268 -3.895 -2.303) 6.220 7.109 ( -10.793 -4.328 -2.908) 11.986 7.752 ( -2.869 2.910 -0.672) 4.141 7.898 ( 0.340 -4.266 0.359) 4.294 7.972 ( -1.128 1.425 0.658) 1.933 8.114 ( 1.502 0.189 -0.036) 1.514 8.424 ( 1.307 1.303 5.221) 5.538 8.547 ( 5.006 -1.527 -3.966) 6.566 8.919 ( -1.072 -0.060 5.530) 5.633 9.075 ( 3.978 0.142 -7.810) 8.766 9.258 ( 0.340 0.021 -1.659) 1.694 9.339 ( 2.420 0.231 1.352) 2.782 9.502 ( 0.851 2.641 -1.836) 3.327 9.584 ( 0.548 -0.033 2.177) 2.245 9.739 ( 4.389 -1.402 -2.161) 5.089 9.791 ( 2.281 0.090 2.841) 3.645 9.998 ( -3.091 -0.146 1.181) 3.312 10.127 ( 1.294 -0.437 0.027) 1.366 ======================= Grid point 178 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -3.154 -2.306 0.373) 3.925 0.735 ( -7.364 -2.673 -1.174) 7.922 0.770 ( -1.798 -0.040 1.339) 2.243 0.876 ( -0.983 0.233 0.207) 1.031 0.991 ( 0.186 0.423 1.016) 1.116 1.050 ( -1.864 0.600 0.319) 1.984 1.069 ( -0.075 -1.735 -3.321) 3.748 1.131 ( 0.947 1.037 0.195) 1.418 1.181 ( -0.988 1.945 1.086) 2.437 1.299 ( -1.214 -4.276 6.534) 7.903 1.378 ( 1.556 -0.637 2.181) 2.754 1.403 ( -2.359 -0.968 -1.981) 3.229 1.498 ( 0.376 1.522 -0.747) 1.737 1.610 ( -1.489 2.642 -2.352) 3.838 1.718 ( 0.487 0.745 -2.186) 2.360 1.949 ( -3.216 0.022 -3.010) 4.405 2.032 ( 1.862 2.855 6.411) 7.261 2.099 ( -1.615 -0.528 1.715) 2.414 2.343 ( -5.680 -3.380 1.344) 6.745 2.580 ( 0.578 -1.923 -2.536) 3.234 2.805 ( 2.000 1.670 -0.649) 2.685 2.879 ( -0.650 1.554 -0.577) 1.781 2.998 ( -2.475 -1.446 4.360) 5.218 3.082 ( -2.071 -2.687 -4.703) 5.799 3.325 ( -4.895 -2.984 4.696) 7.411 3.425 ( -0.145 -1.584 -4.991) 5.238 3.878 ( 0.132 1.662 0.210) 1.681 3.988 ( 2.580 1.668 0.411) 3.099 4.086 ( 4.214 5.369 -0.283) 6.831 4.363 ( 0.335 0.611 -0.552) 0.888 4.398 ( -1.756 -0.344 0.910) 2.007 4.541 ( 5.373 -5.180 -1.249) 7.567 4.654 ( -4.537 6.321 7.265) 10.645 5.045 ( 2.877 4.093 -3.906) 6.347 6.260 ( -12.747 2.469 2.273) 13.182 6.302 ( -8.584 3.236 0.226) 9.176 6.892 ( -1.608 -4.504 -4.013) 6.243 7.049 ( -10.147 -4.156 -3.981) 11.665 7.686 ( -2.066 1.391 1.954) 3.166 7.940 ( 1.304 1.247 0.254) 1.822 7.982 ( -0.714 -4.979 -1.892) 5.374 8.102 ( -0.457 1.552 -0.370) 1.660 8.424 ( 1.282 2.351 3.829) 4.672 8.616 ( 3.734 -1.681 -2.345) 4.719 8.930 ( -0.693 0.065 5.678) 5.721 9.083 ( 3.609 0.680 -7.569) 8.412 9.258 ( 0.597 0.190 -0.553) 0.835 9.359 ( 1.551 0.829 1.606) 2.382 9.455 ( 0.872 3.592 -0.393) 3.717 9.586 ( -0.238 -0.150 0.412) 0.499 9.793 ( 2.074 0.337 -0.171) 2.108 9.825 ( 2.585 -0.219 -0.411) 2.627 9.975 ( -1.844 -0.426 0.988) 2.135 10.150 ( 0.792 -0.591 0.753) 1.243 ======================= Grid point 185 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -6.631 -0.000 -2.679) 7.152 0.703 ( -6.680 -0.000 5.277) 8.513 0.784 ( -2.895 -0.000 -1.670) 3.342 0.872 ( -0.457 -0.000 0.557) 0.720 0.982 ( -1.185 -0.000 0.015) 1.185 0.994 ( -2.495 -0.000 -4.062) 4.767 1.068 ( 0.591 0.000 -0.414) 0.721 1.136 ( 0.886 0.000 0.482) 1.008 1.191 ( -3.564 -0.000 8.598) 9.308 1.249 ( -2.130 -0.000 1.368) 2.532 1.336 ( -0.983 -0.000 -1.327) 1.651 1.367 ( 1.268 0.000 0.015) 1.268 1.553 ( -0.008 -0.000 0.989) 0.989 1.662 ( 1.502 0.000 -4.132) 4.397 1.795 ( -0.701 -0.000 1.929) 2.052 1.946 ( -7.969 -0.000 -5.160) 9.494 2.069 ( -1.620 -0.000 2.411) 2.905 2.098 ( 2.561 0.000 3.885) 4.653 2.271 ( -8.009 -0.000 4.576) 9.224 2.544 ( 1.657 0.000 -3.811) 4.156 2.834 ( 2.273 0.000 -0.201) 2.282 2.885 ( -2.232 -0.000 -2.771) 3.558 2.985 ( -1.563 -0.000 5.880) 6.084 3.001 ( -5.981 -0.000 -6.729) 9.003 3.266 ( -4.481 -0.000 7.762) 8.963 3.419 ( 3.099 0.000 -6.860) 7.528 3.926 ( -0.751 -0.000 -0.508) 0.907 3.993 ( 1.738 0.000 0.544) 1.821 4.288 ( 3.473 0.000 1.520) 3.791 4.288 ( 1.081 0.000 4.550) 4.677 4.398 ( 3.062 0.000 -9.054) 9.558 4.411 ( 5.397 0.000 -1.139) 5.515 4.885 ( -1.143 -0.000 11.924) 11.979 5.059 ( 0.024 0.000 -3.612) 3.612 6.341 ( -16.985 -0.000 5.424) 17.830 6.512 ( -9.056 -0.000 -6.731) 11.284 6.693 ( -9.842 -0.000 0.855) 9.879 6.885 ( -14.259 -0.000 -6.359) 15.613 7.767 ( -1.320 -0.000 -3.052) 3.325 7.822 ( -4.072 -0.000 2.867) 4.980 7.982 ( -1.063 -0.000 2.412) 2.636 8.128 ( 1.048 0.000 -1.200) 1.594 8.475 ( 1.556 0.000 5.421) 5.640 8.574 ( 5.004 0.000 -4.315) 6.607 8.933 ( -0.104 -0.000 5.291) 5.292 9.096 ( 4.268 0.000 -7.422) 8.561 9.262 ( 0.970 0.000 -0.535) 1.107 9.380 ( 3.198 0.000 1.355) 3.473 9.523 ( 0.963 0.000 -2.574) 2.748 9.628 ( 2.450 0.000 2.164) 3.269 9.757 ( 4.532 0.000 -2.740) 5.296 9.827 ( 1.516 0.000 3.420) 3.741 9.962 ( -3.470 -0.000 0.970) 3.603 10.136 ( 1.227 0.000 -0.666) 1.396 ======================= Grid point 186 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -6.648 -2.016 3.868) 7.951 0.620 ( -8.755 0.218 5.939) 10.582 0.759 ( -0.011 0.073 -3.619) 3.619 0.871 ( -0.813 0.083 1.292) 1.528 0.970 ( -1.876 -1.708 -2.030) 3.249 1.001 ( -1.124 -3.917 -2.717) 4.898 1.060 ( 0.546 1.703 -0.098) 1.791 1.162 ( 2.497 0.151 1.289) 2.814 1.199 ( -2.183 -0.225 5.799) 6.200 1.234 ( -2.894 -2.238 7.364) 8.223 1.357 ( -0.313 -2.537 0.044) 2.557 1.374 ( -0.471 -0.064 -1.796) 1.858 1.542 ( 0.748 2.028 -0.865) 2.328 1.636 ( -1.487 2.709 -0.627) 3.153 1.730 ( -1.326 2.553 -2.324) 3.698 1.884 ( -4.200 -2.293 -3.102) 5.703 2.078 ( -0.424 -0.878 2.020) 2.243 2.113 ( 1.045 2.080 4.570) 5.129 2.236 ( -4.529 -2.126 3.322) 6.006 2.559 ( 2.283 -1.079 -6.831) 7.282 2.798 ( -2.945 -0.261 -7.518) 8.078 2.876 ( -2.395 -2.442 -2.825) 4.436 2.945 ( -0.878 1.533 0.860) 1.965 3.014 ( -0.943 -2.007 3.748) 4.355 3.274 ( -2.018 -1.294 9.003) 9.317 3.430 ( 3.514 0.586 -5.863) 6.861 3.899 ( -1.268 1.396 0.471) 1.944 3.996 ( -1.799 0.424 -0.140) 1.854 4.225 ( 1.637 4.425 1.828) 5.060 4.349 ( -2.294 -2.351 1.911) 3.801 4.416 ( 6.298 1.636 -4.253) 7.773 4.520 ( 5.461 -3.853 -2.004) 6.978 4.797 ( -1.823 11.412 11.410) 16.240 5.093 ( 2.664 -0.714 -3.262) 4.271 6.159 ( -13.676 1.270 5.890) 14.945 6.268 ( -9.954 5.608 -0.367) 11.431 6.707 ( -8.084 -7.707 -6.097) 12.725 6.791 ( -11.078 -9.740 -6.797) 16.241 7.703 ( -1.382 2.174 1.530) 2.996 7.852 ( -4.007 -6.206 -0.611) 7.413 7.974 ( 0.136 0.885 1.984) 2.176 8.119 ( -0.238 1.263 -1.542) 2.007 8.493 ( 1.413 1.816 4.348) 4.919 8.622 ( 3.528 -1.192 -3.597) 5.178 8.954 ( 0.673 0.307 5.476) 5.526 9.111 ( 3.862 0.607 -6.947) 7.972 9.277 ( 1.725 0.223 1.279) 2.159 9.409 ( 2.658 1.421 1.796) 3.508 9.516 ( 1.364 1.657 -1.693) 2.733 9.616 ( 1.481 3.214 0.929) 3.659 9.816 ( 2.679 -0.422 -1.606) 3.152 9.837 ( -0.932 0.654 0.349) 1.191 9.948 ( -0.395 -1.674 1.084) 2.033 10.148 ( 0.256 -0.596 -0.909) 1.117 ======================= Grid point 194 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -6.880 -0.000 10.424) 12.490 0.542 ( -10.279 -0.000 8.759) 13.505 0.751 ( 2.619 0.000 -7.198) 7.659 0.874 ( -0.869 -0.000 1.985) 2.167 0.914 ( -0.041 -0.000 -7.811) 7.811 0.933 ( -3.270 -0.000 1.829) 3.747 1.099 ( 1.746 0.000 1.583) 2.357 1.167 ( -5.459 -0.000 16.269) 17.160 1.205 ( 3.420 0.000 1.799) 3.864 1.224 ( -1.674 -0.000 2.294) 2.840 1.345 ( 2.291 0.000 0.899) 2.461 1.359 ( -1.080 -0.000 -2.796) 2.998 1.555 ( 0.070 0.000 -0.491) 0.496 1.638 ( -2.886 -0.000 -0.748) 2.981 1.754 ( -1.360 -0.000 -3.693) 3.935 1.758 ( -5.416 -0.000 -3.606) 6.506 2.081 ( 0.687 0.000 0.309) 0.754 2.148 ( -1.008 -0.000 4.296) 4.412 2.212 ( 0.322 0.000 4.093) 4.106 2.519 ( -0.263 -0.000 -15.888) 15.890 2.732 ( -1.182 -0.000 -3.952) 4.125 2.823 ( -1.033 -0.000 -3.483) 3.633 2.986 ( -1.816 -0.000 4.295) 4.663 2.994 ( 1.250 0.000 2.428) 2.731 3.291 ( 0.454 0.000 9.636) 9.647 3.463 ( 4.522 0.000 -4.824) 6.612 3.889 ( -2.969 -0.000 1.724) 3.433 3.974 ( -2.525 -0.000 -1.232) 2.809 4.265 ( -4.619 -0.000 7.163) 8.523 4.310 ( 2.492 0.000 -4.146) 4.838 4.494 ( 4.800 0.000 -2.770) 5.542 4.535 ( 5.202 0.000 -2.969) 5.989 5.040 ( 6.661 0.000 8.920) 11.133 5.046 ( 1.299 0.000 -1.625) 2.080 6.041 ( -12.218 -0.000 9.321) 15.367 6.215 ( -11.740 -0.000 -1.045) 11.786 6.500 ( -7.851 -0.000 -0.886) 7.901 6.510 ( -11.769 -0.000 -11.262) 16.290 7.727 ( -4.335 -0.000 3.976) 5.882 7.735 ( -0.480 -0.000 -0.628) 0.790 7.987 ( -0.246 -0.000 2.566) 2.577 8.120 ( -0.464 -0.000 -2.175) 2.224 8.535 ( 0.381 0.000 4.367) 4.384 8.633 ( 2.833 0.000 -4.440) 5.266 8.990 ( 1.287 0.000 5.419) 5.570 9.133 ( 3.217 0.000 -6.317) 7.089 9.314 ( 3.277 0.000 3.243) 4.610 9.462 ( 2.313 0.000 2.347) 3.295 9.534 ( 1.013 0.000 -0.963) 1.397 9.675 ( 1.323 0.000 -2.878) 3.168 9.826 ( -2.762 -0.000 0.963) 2.925 9.847 ( 4.531 0.000 -3.350) 5.635 9.931 ( 0.176 0.000 2.852) 2.858 10.125 ( -2.103 -0.000 -2.889) 3.574 =================== 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 3/17280 10.0 16.528 14.614 17.014 0.000 -0.223 0.000 3/17280 20.0 4.462 3.875 5.556 0.000 -0.139 0.000 3/17280 30.0 2.521 2.154 3.387 0.000 -0.096 0.000 3/17280 40.0 1.814 1.517 2.498 0.000 -0.082 0.000 3/17280 50.0 1.455 1.192 2.012 0.000 -0.076 0.000 3/17280 60.0 1.235 0.994 1.701 0.000 -0.073 0.000 3/17280 70.0 1.085 0.860 1.484 0.000 -0.071 0.000 3/17280 80.0 0.973 0.762 1.321 0.000 -0.068 0.000 3/17280 90.0 0.884 0.685 1.194 0.000 -0.066 0.000 3/17280 100.0 0.812 0.624 1.091 -0.000 -0.064 0.000 3/17280 110.0 0.752 0.573 1.006 -0.000 -0.062 0.000 3/17280 120.0 0.700 0.530 0.934 -0.000 -0.060 0.000 3/17280 130.0 0.655 0.494 0.872 -0.000 -0.058 0.000 3/17280 140.0 0.616 0.462 0.818 -0.000 -0.055 0.000 3/17280 150.0 0.581 0.434 0.770 -0.000 -0.054 0.000 3/17280 160.0 0.549 0.409 0.728 -0.000 -0.052 0.000 3/17280 170.0 0.521 0.387 0.690 -0.000 -0.050 0.000 3/17280 180.0 0.496 0.367 0.656 -0.000 -0.048 0.000 3/17280 190.0 0.473 0.349 0.625 -0.000 -0.046 0.000 3/17280 200.0 0.452 0.332 0.597 -0.000 -0.045 0.000 3/17280 210.0 0.432 0.318 0.571 -0.000 -0.043 0.000 3/17280 220.0 0.415 0.304 0.547 -0.000 -0.042 0.000 3/17280 230.0 0.398 0.291 0.526 -0.000 -0.041 0.000 3/17280 240.0 0.383 0.280 0.505 -0.000 -0.039 0.000 3/17280 250.0 0.369 0.269 0.487 -0.000 -0.038 0.000 3/17280 260.0 0.356 0.259 0.469 -0.000 -0.037 0.000 3/17280 270.0 0.343 0.250 0.453 -0.000 -0.036 0.000 3/17280 280.0 0.332 0.242 0.438 -0.000 -0.035 0.000 3/17280 290.0 0.321 0.234 0.424 -0.000 -0.034 0.000 3/17280 300.0 0.311 0.226 0.411 -0.000 -0.033 0.000 3/17280 310.0 0.302 0.219 0.398 -0.000 -0.032 0.000 3/17280 320.0 0.293 0.212 0.386 -0.000 -0.031 0.000 3/17280 330.0 0.285 0.206 0.375 -0.000 -0.030 0.000 3/17280 340.0 0.277 0.200 0.365 -0.000 -0.030 0.000 3/17280 350.0 0.269 0.195 0.355 -0.000 -0.029 0.000 3/17280 360.0 0.262 0.190 0.345 -0.000 -0.028 0.000 3/17280 370.0 0.255 0.185 0.337 -0.000 -0.028 0.000 3/17280 380.0 0.249 0.180 0.328 -0.000 -0.027 0.000 3/17280 390.0 0.243 0.175 0.320 -0.000 -0.026 0.000 3/17280 400.0 0.237 0.171 0.312 -0.000 -0.026 0.000 3/17280 410.0 0.231 0.167 0.305 -0.000 -0.025 0.000 3/17280 420.0 0.226 0.163 0.298 -0.000 -0.025 0.000 3/17280 430.0 0.221 0.159 0.291 -0.000 -0.024 0.000 3/17280 440.0 0.216 0.156 0.285 -0.000 -0.024 0.000 3/17280 450.0 0.211 0.152 0.279 -0.000 -0.023 0.000 3/17280 460.0 0.207 0.149 0.273 -0.000 -0.023 0.000 3/17280 470.0 0.203 0.146 0.267 -0.000 -0.022 0.000 3/17280 480.0 0.199 0.143 0.262 -0.000 -0.022 0.000 3/17280 490.0 0.195 0.140 0.257 -0.000 -0.021 0.000 3/17280 500.0 0.191 0.137 0.252 -0.000 -0.021 0.000 3/17280 510.0 0.187 0.135 0.247 -0.000 -0.021 0.000 3/17280 520.0 0.184 0.132 0.242 -0.000 -0.020 0.000 3/17280 530.0 0.180 0.130 0.238 -0.000 -0.020 0.000 3/17280 540.0 0.177 0.127 0.234 -0.000 -0.020 0.000 3/17280 550.0 0.174 0.125 0.229 -0.000 -0.019 0.000 3/17280 560.0 0.171 0.123 0.225 -0.000 -0.019 0.000 3/17280 570.0 0.168 0.121 0.222 -0.000 -0.019 0.000 3/17280 580.0 0.165 0.119 0.218 -0.000 -0.018 0.000 3/17280 590.0 0.162 0.117 0.214 -0.000 -0.018 0.000 3/17280 600.0 0.160 0.115 0.211 -0.000 -0.018 0.000 3/17280 610.0 0.157 0.113 0.207 -0.000 -0.017 0.000 3/17280 620.0 0.155 0.111 0.204 -0.000 -0.017 0.000 3/17280 630.0 0.152 0.109 0.201 -0.000 -0.017 0.000 3/17280 640.0 0.150 0.108 0.198 -0.000 -0.017 0.000 3/17280 650.0 0.148 0.106 0.195 -0.000 -0.016 0.000 3/17280 660.0 0.146 0.105 0.192 -0.000 -0.016 0.000 3/17280 670.0 0.143 0.103 0.189 -0.000 -0.016 0.000 3/17280 680.0 0.141 0.101 0.186 -0.000 -0.016 0.000 3/17280 690.0 0.139 0.100 0.184 -0.000 -0.016 0.000 3/17280 700.0 0.137 0.099 0.181 -0.000 -0.015 0.000 3/17280 710.0 0.135 0.097 0.179 -0.000 -0.015 0.000 3/17280 720.0 0.134 0.096 0.176 -0.000 -0.015 0.000 3/17280 730.0 0.132 0.095 0.174 -0.000 -0.015 0.000 3/17280 740.0 0.130 0.093 0.172 -0.000 -0.015 0.000 3/17280 750.0 0.128 0.092 0.169 -0.000 -0.014 0.000 3/17280 760.0 0.127 0.091 0.167 -0.000 -0.014 0.000 3/17280 770.0 0.125 0.090 0.165 -0.000 -0.014 0.000 3/17280 780.0 0.123 0.089 0.163 -0.000 -0.014 0.000 3/17280 790.0 0.122 0.087 0.161 -0.000 -0.014 0.000 3/17280 800.0 0.120 0.086 0.159 -0.000 -0.013 0.000 3/17280 810.0 0.119 0.085 0.157 -0.000 -0.013 0.000 3/17280 820.0 0.118 0.084 0.155 -0.000 -0.013 0.000 3/17280 830.0 0.116 0.083 0.153 -0.000 -0.013 0.000 3/17280 840.0 0.115 0.082 0.151 -0.000 -0.013 0.000 3/17280 850.0 0.113 0.081 0.150 -0.000 -0.013 0.000 3/17280 860.0 0.112 0.080 0.148 -0.000 -0.013 0.000 3/17280 870.0 0.111 0.080 0.146 -0.000 -0.012 0.000 3/17280 880.0 0.110 0.079 0.145 -0.000 -0.012 0.000 3/17280 890.0 0.108 0.078 0.143 -0.000 -0.012 0.000 3/17280 900.0 0.107 0.077 0.141 -0.000 -0.012 0.000 3/17280 910.0 0.106 0.076 0.140 -0.000 -0.012 0.000 3/17280 920.0 0.105 0.075 0.138 -0.000 -0.012 0.000 3/17280 930.0 0.104 0.074 0.137 -0.000 -0.012 0.000 3/17280 940.0 0.103 0.074 0.135 -0.000 -0.012 0.000 3/17280 950.0 0.102 0.073 0.134 -0.000 -0.011 0.000 3/17280 960.0 0.101 0.072 0.133 -0.000 -0.011 0.000 3/17280 970.0 0.100 0.071 0.131 -0.000 -0.011 0.000 3/17280 980.0 0.099 0.071 0.130 -0.000 -0.011 0.000 3/17280 990.0 0.098 0.070 0.129 -0.000 -0.011 0.000 3/17280 1000.0 0.097 0.069 0.127 -0.000 -0.011 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:27:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|