----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:44:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.505997620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.166993610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): *1 O 0.21832616072358 0.25000000000000 0.32628534032058 15.999 *2 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 *4 O 0.67351158314437 0.25000000000000 0.86066310076979 15.999 5 O 0.32648841685563 0.75000000000000 0.13933689923021 15.999 6 O 0.17351158314437 0.25000000000000 0.63933689923021 15.999 7 O 0.82648841685563 0.75000000000000 0.36066310076979 15.999 8 O 0.28167383927642 0.75000000000000 0.82628534032058 15.999 9 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 10 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 11 O 0.78167383927642 0.75000000000000 0.67371465967942 15.999 12 O 0.71832616072358 0.25000000000000 0.17371465967942 15.999 *13 Na 0.48994008453485 0.49143005985071 0.73092179166694 22.990 14 Na 0.01005991546515 0.50856994014929 0.23092179166693 22.990 15 Na 0.98994008453485 0.49143005985071 0.76907820833306 22.990 16 Na 0.48994008453485 0.00856994014929 0.73092179166694 22.990 17 Na 0.51005991546515 0.50856994014929 0.26907820833307 22.990 18 Na 0.51005991546515 0.99143005985071 0.26907820833307 22.990 19 Na 0.01005991546515 0.99143005985071 0.23092179166693 22.990 20 Na 0.98994008453485 0.00856994014929 0.76907820833306 22.990 *21 K 0.15882823927198 0.75000000000000 0.53137198123455 39.098 22 K 0.34117176072802 0.25000000000000 0.03137198123455 39.098 23 K 0.84117176072802 0.25000000000000 0.46862801876545 39.098 24 K 0.65882823927198 0.75000000000000 0.96862801876545 39.098 *25 Ga 0.33074126680485 0.25000000000000 0.49050465790433 69.723 26 Ga 0.83074126680485 0.25000000000000 0.00949534209567 69.723 27 Ga 0.16925873319515 0.75000000000000 0.99050465790433 69.723 28 Ga 0.66925873319515 0.75000000000000 0.50949534209567 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.505997620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.166993610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): *1 O 0.21832616072358 0.25000000000000 0.32628534032058 15.999 > 1 *2 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 3 *4 O 0.67351158314437 0.25000000000000 0.86066310076979 15.999 > 4 5 O 0.32648841685563 0.75000000000000 0.13933689923021 15.999 > 5 6 O 0.17351158314437 0.25000000000000 0.63933689923021 15.999 > 6 7 O 0.82648841685563 0.75000000000000 0.36066310076979 15.999 > 7 8 O 0.28167383927642 0.75000000000000 0.82628534032058 15.999 > 8 9 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 9 10 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 10 11 O 0.78167383927642 0.75000000000000 0.67371465967942 15.999 > 11 12 O 0.71832616072358 0.25000000000000 0.17371465967942 15.999 > 12 *13 Na 0.48994008453485 0.49143005985071 0.73092179166694 22.990 > 13 14 Na 0.01005991546515 0.50856994014929 0.23092179166693 22.990 > 14 15 Na 0.98994008453485 0.49143005985071 0.76907820833306 22.990 > 15 16 Na 0.48994008453485 0.00856994014929 0.73092179166694 22.990 > 16 17 Na 0.51005991546515 0.50856994014929 0.26907820833307 22.990 > 17 18 Na 0.51005991546515 0.99143005985071 0.26907820833307 22.990 > 18 19 Na 0.01005991546515 0.99143005985071 0.23092179166693 22.990 > 19 20 Na 0.98994008453485 0.00856994014929 0.76907820833306 22.990 > 20 *21 K 0.15882823927198 0.75000000000000 0.53137198123455 39.098 > 21 22 K 0.34117176072802 0.25000000000000 0.03137198123455 39.098 > 22 23 K 0.84117176072802 0.25000000000000 0.46862801876545 39.098 > 23 24 K 0.65882823927198 0.75000000000000 0.96862801876545 39.098 > 24 *25 Ga 0.33074126680485 0.25000000000000 0.49050465790433 69.723 > 25 26 Ga 0.83074126680485 0.25000000000000 0.00949534209567 69.723 > 26 27 Ga 0.16925873319515 0.75000000000000 0.99050465790433 69.723 > 27 28 Ga 0.66925873319515 0.75000000000000 0.50949534209567 69.723 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.011995239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.333987219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): *1 O 0.10916308036179 0.12500000000000 0.32628534032058 15.999 > 1 2 O 0.60916308036179 0.12500000000000 0.32628534032058 15.999 > 1 3 O 0.10916308036179 0.62500000000000 0.32628534032058 15.999 > 1 4 O 0.60916308036179 0.62500000000000 0.32628534032058 15.999 > 1 *5 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 2 6 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 2 7 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 2 8 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 2 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 3 10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 3 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 3 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 3 *13 O 0.33675579157219 0.12500000000000 0.86066310076979 15.999 > 4 14 O 0.83675579157219 0.12500000000000 0.86066310076979 15.999 > 4 15 O 0.33675579157219 0.62500000000000 0.86066310076979 15.999 > 4 16 O 0.83675579157219 0.62500000000000 0.86066310076979 15.999 > 4 17 O 0.16324420842781 0.37500000000000 0.13933689923021 15.999 > 5 18 O 0.66324420842781 0.37500000000000 0.13933689923021 15.999 > 5 19 O 0.16324420842781 0.87500000000000 0.13933689923021 15.999 > 5 20 O 0.66324420842781 0.87500000000000 0.13933689923021 15.999 > 5 21 O 0.08675579157219 0.12500000000000 0.63933689923021 15.999 > 6 22 O 0.58675579157219 0.12500000000000 0.63933689923021 15.999 > 6 23 O 0.08675579157219 0.62500000000000 0.63933689923021 15.999 > 6 24 O 0.58675579157219 0.62500000000000 0.63933689923021 15.999 > 6 25 O 0.41324420842781 0.37500000000000 0.36066310076979 15.999 > 7 26 O 0.91324420842781 0.37500000000000 0.36066310076979 15.999 > 7 27 O 0.41324420842781 0.87500000000000 0.36066310076979 15.999 > 7 28 O 0.91324420842781 0.87500000000000 0.36066310076979 15.999 > 7 29 O 0.14083691963821 0.37500000000000 0.82628534032058 15.999 > 8 30 O 0.64083691963821 0.37500000000000 0.82628534032058 15.999 > 8 31 O 0.14083691963821 0.87500000000000 0.82628534032058 15.999 > 8 32 O 0.64083691963821 0.87500000000000 0.82628534032058 15.999 > 8 33 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 9 34 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 9 35 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 9 36 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 9 37 O 0.25000000000000 0.25000000000000 0.50000000000000 15.999 > 10 38 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 > 10 39 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 > 10 40 O 0.75000000000000 0.75000000000000 0.50000000000000 15.999 > 10 41 O 0.39083691963821 0.37500000000000 0.67371465967942 15.999 > 11 42 O 0.89083691963821 0.37500000000000 0.67371465967942 15.999 > 11 43 O 0.39083691963821 0.87500000000000 0.67371465967942 15.999 > 11 44 O 0.89083691963821 0.87500000000000 0.67371465967942 15.999 > 11 45 O 0.35916308036179 0.12500000000000 0.17371465967942 15.999 > 12 46 O 0.85916308036179 0.12500000000000 0.17371465967942 15.999 > 12 47 O 0.35916308036179 0.62500000000000 0.17371465967942 15.999 > 12 48 O 0.85916308036179 0.62500000000000 0.17371465967942 15.999 > 12 *49 Na 0.24497004226743 0.24571502992536 0.73092179166694 22.990 > 13 50 Na 0.74497004226743 0.24571502992536 0.73092179166694 22.990 > 13 51 Na 0.24497004226743 0.74571502992536 0.73092179166694 22.990 > 13 52 Na 0.74497004226743 0.74571502992536 0.73092179166694 22.990 > 13 53 Na 0.00502995773257 0.25428497007464 0.23092179166693 22.990 > 14 54 Na 0.50502995773257 0.25428497007464 0.23092179166693 22.990 > 14 55 Na 0.00502995773257 0.75428497007464 0.23092179166693 22.990 > 14 56 Na 0.50502995773257 0.75428497007464 0.23092179166693 22.990 > 14 57 Na 0.49497004226743 0.24571502992536 0.76907820833306 22.990 > 15 58 Na 0.99497004226743 0.24571502992536 0.76907820833306 22.990 > 15 59 Na 0.49497004226743 0.74571502992536 0.76907820833306 22.990 > 15 60 Na 0.99497004226743 0.74571502992536 0.76907820833306 22.990 > 15 61 Na 0.24497004226743 0.00428497007464 0.73092179166694 22.990 > 16 62 Na 0.74497004226743 0.00428497007464 0.73092179166694 22.990 > 16 63 Na 0.24497004226743 0.50428497007464 0.73092179166694 22.990 > 16 64 Na 0.74497004226743 0.50428497007464 0.73092179166694 22.990 > 16 65 Na 0.25502995773257 0.25428497007464 0.26907820833307 22.990 > 17 66 Na 0.75502995773257 0.25428497007464 0.26907820833307 22.990 > 17 67 Na 0.25502995773257 0.75428497007464 0.26907820833307 22.990 > 17 68 Na 0.75502995773257 0.75428497007464 0.26907820833307 22.990 > 17 69 Na 0.25502995773257 0.49571502992536 0.26907820833307 22.990 > 18 70 Na 0.75502995773257 0.49571502992536 0.26907820833307 22.990 > 18 71 Na 0.25502995773257 0.99571502992536 0.26907820833307 22.990 > 18 72 Na 0.75502995773257 0.99571502992536 0.26907820833307 22.990 > 18 73 Na 0.00502995773257 0.49571502992536 0.23092179166693 22.990 > 19 74 Na 0.50502995773257 0.49571502992536 0.23092179166693 22.990 > 19 75 Na 0.00502995773257 0.99571502992536 0.23092179166693 22.990 > 19 76 Na 0.50502995773257 0.99571502992536 0.23092179166693 22.990 > 19 77 Na 0.49497004226743 0.00428497007464 0.76907820833306 22.990 > 20 78 Na 0.99497004226743 0.00428497007464 0.76907820833306 22.990 > 20 79 Na 0.49497004226743 0.50428497007464 0.76907820833306 22.990 > 20 80 Na 0.99497004226743 0.50428497007464 0.76907820833306 22.990 > 20 *81 K 0.07941411963599 0.37500000000000 0.53137198123455 39.098 > 21 82 K 0.57941411963599 0.37500000000000 0.53137198123455 39.098 > 21 83 K 0.07941411963599 0.87500000000000 0.53137198123455 39.098 > 21 84 K 0.57941411963599 0.87500000000000 0.53137198123455 39.098 > 21 85 K 0.17058588036401 0.12500000000000 0.03137198123455 39.098 > 22 86 K 0.67058588036401 0.12500000000000 0.03137198123455 39.098 > 22 87 K 0.17058588036401 0.62500000000000 0.03137198123455 39.098 > 22 88 K 0.67058588036401 0.62500000000000 0.03137198123455 39.098 > 22 89 K 0.42058588036401 0.12500000000000 0.46862801876545 39.098 > 23 90 K 0.92058588036401 0.12500000000000 0.46862801876545 39.098 > 23 91 K 0.42058588036401 0.62500000000000 0.46862801876545 39.098 > 23 92 K 0.92058588036401 0.62500000000000 0.46862801876545 39.098 > 23 93 K 0.32941411963599 0.37500000000000 0.96862801876545 39.098 > 24 94 K 0.82941411963599 0.37500000000000 0.96862801876545 39.098 > 24 95 K 0.32941411963599 0.87500000000000 0.96862801876545 39.098 > 24 96 K 0.82941411963599 0.87500000000000 0.96862801876545 39.098 > 24 *97 Ga 0.16537063340243 0.12500000000000 0.49050465790433 69.723 > 25 98 Ga 0.66537063340243 0.12500000000000 0.49050465790433 69.723 > 25 99 Ga 0.16537063340243 0.62500000000000 0.49050465790433 69.723 > 25 100 Ga 0.66537063340243 0.62500000000000 0.49050465790433 69.723 > 25 101 Ga 0.41537063340243 0.12500000000000 0.00949534209567 69.723 > 26 102 Ga 0.91537063340243 0.12500000000000 0.00949534209567 69.723 > 26 103 Ga 0.41537063340243 0.62500000000000 0.00949534209567 69.723 > 26 104 Ga 0.91537063340243 0.62500000000000 0.00949534209567 69.723 > 26 105 Ga 0.08462936659757 0.37500000000000 0.99050465790433 69.723 > 27 106 Ga 0.58462936659757 0.37500000000000 0.99050465790433 69.723 > 27 107 Ga 0.08462936659757 0.87500000000000 0.99050465790433 69.723 > 27 108 Ga 0.58462936659757 0.87500000000000 0.99050465790433 69.723 > 27 109 Ga 0.33462936659757 0.37500000000000 0.50949534209567 69.723 > 28 110 Ga 0.83462936659757 0.37500000000000 0.50949534209567 69.723 > 28 111 Ga 0.33462936659757 0.87500000000000 0.50949534209567 69.723 > 28 112 Ga 0.83462936659757 0.87500000000000 0.50949534209567 69.723 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0489706 0.0000000 0.0000000 0.0000000 3.1485734 0.0000000 0.0000000 0.0000000 3.0275406 -------------------------- Born effective charges -------------------------- 1 O -1.7632235 0.0000000 -0.3281378 0.0000000 -1.5017549 0.0000000 -0.1977457 0.0000000 -2.1507026 2 O -1.9669699 -0.7464614 0.0093800 -0.9092913 -2.7086864 0.1009746 0.0176056 0.1142390 -1.2946070 3 O -1.9669699 0.7464614 0.0093800 0.9092913 -2.7086864 -0.1009746 0.0176056 -0.1142390 -1.2946070 4 O -1.8659791 0.0000000 -0.3842603 0.0000000 -1.6121914 0.0000000 -0.2642313 0.0000000 -1.9975570 5 O -1.8659791 0.0000000 -0.3842603 0.0000000 -1.6121914 0.0000000 -0.2642313 0.0000000 -1.9975570 6 O -1.8659791 0.0000000 0.3842603 0.0000000 -1.6121914 0.0000000 0.2642313 0.0000000 -1.9975570 7 O -1.8659791 0.0000000 0.3842603 0.0000000 -1.6121914 0.0000000 0.2642313 0.0000000 -1.9975570 8 O -1.7632235 0.0000000 0.3281378 0.0000000 -1.5017549 0.0000000 0.1977457 0.0000000 -2.1507026 9 O -1.9669699 0.7464614 -0.0093800 0.9092913 -2.7086864 0.1009746 -0.0176056 0.1142390 -1.2946070 10 O -1.9669699 -0.7464614 -0.0093800 -0.9092913 -2.7086864 -0.1009746 -0.0176056 -0.1142390 -1.2946070 11 O -1.7632235 0.0000000 -0.3281378 0.0000000 -1.5017549 0.0000000 -0.1977457 0.0000000 -2.1507026 12 O -1.7632235 0.0000000 0.3281378 0.0000000 -1.5017549 0.0000000 0.1977457 0.0000000 -2.1507026 13 Na 0.9796357 -0.0407674 0.0402636 0.0468628 0.9713927 0.0082675 0.0092298 0.0020122 1.0539649 14 Na 0.9796357 -0.0407674 -0.0402636 0.0468628 0.9713927 -0.0082675 -0.0092298 -0.0020122 1.0539649 15 Na 0.9796357 -0.0407674 -0.0402636 0.0468628 0.9713927 -0.0082675 -0.0092298 -0.0020122 1.0539649 16 Na 0.9796357 0.0407674 0.0402636 -0.0468628 0.9713927 -0.0082675 0.0092298 -0.0020122 1.0539649 17 Na 0.9796357 -0.0407674 0.0402636 0.0468628 0.9713927 0.0082675 0.0092298 0.0020122 1.0539649 18 Na 0.9796357 0.0407674 0.0402636 -0.0468628 0.9713927 -0.0082675 0.0092298 -0.0020122 1.0539649 19 Na 0.9796357 0.0407674 -0.0402636 -0.0468628 0.9713927 0.0082675 -0.0092298 0.0020122 1.0539649 20 Na 0.9796357 0.0407674 -0.0402636 -0.0468628 0.9713927 0.0082675 -0.0092298 0.0020122 1.0539649 21 K 1.2882334 0.0000000 0.0110125 0.0000000 1.1258295 0.0000000 0.0235395 0.0000000 1.0154457 22 K 1.2882334 0.0000000 -0.0110125 0.0000000 1.1258295 0.0000000 -0.0235395 0.0000000 1.0154457 23 K 1.2882334 0.0000000 0.0110125 0.0000000 1.1258295 0.0000000 0.0235395 0.0000000 1.0154457 24 K 1.2882334 0.0000000 -0.0110125 0.0000000 1.1258295 0.0000000 -0.0235395 0.0000000 1.0154457 25 Ga 2.3486675 0.0000000 -0.0111582 0.0000000 2.7540178 0.0000000 -0.0259419 0.0000000 2.3194910 26 Ga 2.3486675 0.0000000 0.0111582 0.0000000 2.7540178 0.0000000 0.0259419 0.0000000 2.3194910 27 Ga 2.3486675 0.0000000 0.0111582 0.0000000 2.7540178 0.0000000 0.0259419 0.0000000 2.3194910 28 Ga 2.3486675 0.0000000 -0.0111582 0.0000000 2.7540178 0.0000000 -0.0259419 0.0000000 2.3194910 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1889 Number of blocks in projector: 1889 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1889, 1851), data: False |-- (257, 251), data: True |-- (257, 251), data: True |-- (257, 251), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.316 Solver_block: 200 / 480 - Time: 3.049 Solver_block: 300 / 480 - Time: 3.526 Solver_block: 400 / 480 - Time: 3.307 Solver_block: 480 / 480 - Time: 2.426 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.692 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1889 Number of blocks in projector: 1889 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1889, 1851), data: False |-- (257, 251), data: True |-- (257, 251), data: True |-- (257, 251), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:45:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:45:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.505997620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.166993610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): 1 O 0.21832616072358 0.25000000000000 0.32628534032058 15.999 2 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 4 O 0.67351158314437 0.25000000000000 0.86066310076979 15.999 5 O 0.32648841685563 0.75000000000000 0.13933689923021 15.999 6 O 0.17351158314437 0.25000000000000 0.63933689923021 15.999 7 O 0.82648841685563 0.75000000000000 0.36066310076979 15.999 8 O 0.28167383927642 0.75000000000000 0.82628534032058 15.999 9 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 10 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 11 O 0.78167383927642 0.75000000000000 0.67371465967942 15.999 12 O 0.71832616072358 0.25000000000000 0.17371465967942 15.999 13 Na 0.48994008453485 0.49143005985071 0.73092179166694 22.990 14 Na 0.01005991546515 0.50856994014929 0.23092179166693 22.990 15 Na 0.98994008453485 0.49143005985071 0.76907820833306 22.990 16 Na 0.48994008453485 0.00856994014929 0.73092179166694 22.990 17 Na 0.51005991546515 0.50856994014929 0.26907820833307 22.990 18 Na 0.51005991546515 0.99143005985071 0.26907820833307 22.990 19 Na 0.01005991546515 0.99143005985071 0.23092179166693 22.990 20 Na 0.98994008453485 0.00856994014929 0.76907820833306 22.990 21 K 0.15882823927198 0.75000000000000 0.53137198123455 39.098 22 K 0.34117176072802 0.25000000000000 0.03137198123455 39.098 23 K 0.84117176072802 0.25000000000000 0.46862801876545 39.098 24 K 0.65882823927198 0.75000000000000 0.96862801876545 39.098 25 Ga 0.33074126680485 0.25000000000000 0.49050465790433 69.723 26 Ga 0.83074126680485 0.25000000000000 0.00949534209567 69.723 27 Ga 0.16925873319515 0.75000000000000 0.99050465790433 69.723 28 Ga 0.66925873319515 0.75000000000000 0.50949534209567 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.011995239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.333987219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): 1 O 0.10916308036179 0.12500000000000 0.32628534032058 15.999 > 1 2 O 0.60916308036179 0.12500000000000 0.32628534032058 15.999 > 1 3 O 0.10916308036179 0.62500000000000 0.32628534032058 15.999 > 1 4 O 0.60916308036179 0.62500000000000 0.32628534032058 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 5 6 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 5 7 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 5 8 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 9 13 O 0.33675579157219 0.12500000000000 0.86066310076979 15.999 > 13 14 O 0.83675579157219 0.12500000000000 0.86066310076979 15.999 > 13 15 O 0.33675579157219 0.62500000000000 0.86066310076979 15.999 > 13 16 O 0.83675579157219 0.62500000000000 0.86066310076979 15.999 > 13 17 O 0.16324420842781 0.37500000000000 0.13933689923021 15.999 > 17 18 O 0.66324420842781 0.37500000000000 0.13933689923021 15.999 > 17 19 O 0.16324420842781 0.87500000000000 0.13933689923021 15.999 > 17 20 O 0.66324420842781 0.87500000000000 0.13933689923021 15.999 > 17 21 O 0.08675579157219 0.12500000000000 0.63933689923021 15.999 > 21 22 O 0.58675579157219 0.12500000000000 0.63933689923021 15.999 > 21 23 O 0.08675579157219 0.62500000000000 0.63933689923021 15.999 > 21 24 O 0.58675579157219 0.62500000000000 0.63933689923021 15.999 > 21 25 O 0.41324420842781 0.37500000000000 0.36066310076979 15.999 > 25 26 O 0.91324420842781 0.37500000000000 0.36066310076979 15.999 > 25 27 O 0.41324420842781 0.87500000000000 0.36066310076979 15.999 > 25 28 O 0.91324420842781 0.87500000000000 0.36066310076979 15.999 > 25 29 O 0.14083691963821 0.37500000000000 0.82628534032058 15.999 > 29 30 O 0.64083691963821 0.37500000000000 0.82628534032058 15.999 > 29 31 O 0.14083691963821 0.87500000000000 0.82628534032058 15.999 > 29 32 O 0.64083691963821 0.87500000000000 0.82628534032058 15.999 > 29 33 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 33 35 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 33 36 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 33 37 O 0.25000000000000 0.25000000000000 0.50000000000000 15.999 > 37 38 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 > 37 39 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 > 37 40 O 0.75000000000000 0.75000000000000 0.50000000000000 15.999 > 37 41 O 0.39083691963821 0.37500000000000 0.67371465967942 15.999 > 41 42 O 0.89083691963821 0.37500000000000 0.67371465967942 15.999 > 41 43 O 0.39083691963821 0.87500000000000 0.67371465967942 15.999 > 41 44 O 0.89083691963821 0.87500000000000 0.67371465967942 15.999 > 41 45 O 0.35916308036179 0.12500000000000 0.17371465967942 15.999 > 45 46 O 0.85916308036179 0.12500000000000 0.17371465967942 15.999 > 45 47 O 0.35916308036179 0.62500000000000 0.17371465967942 15.999 > 45 48 O 0.85916308036179 0.62500000000000 0.17371465967942 15.999 > 45 49 Na 0.24497004226743 0.24571502992536 0.73092179166694 22.990 > 49 50 Na 0.74497004226743 0.24571502992536 0.73092179166694 22.990 > 49 51 Na 0.24497004226743 0.74571502992536 0.73092179166694 22.990 > 49 52 Na 0.74497004226743 0.74571502992536 0.73092179166694 22.990 > 49 53 Na 0.00502995773257 0.25428497007464 0.23092179166693 22.990 > 53 54 Na 0.50502995773257 0.25428497007464 0.23092179166693 22.990 > 53 55 Na 0.00502995773257 0.75428497007464 0.23092179166693 22.990 > 53 56 Na 0.50502995773257 0.75428497007464 0.23092179166693 22.990 > 53 57 Na 0.49497004226743 0.24571502992536 0.76907820833306 22.990 > 57 58 Na 0.99497004226743 0.24571502992536 0.76907820833306 22.990 > 57 59 Na 0.49497004226743 0.74571502992536 0.76907820833306 22.990 > 57 60 Na 0.99497004226743 0.74571502992536 0.76907820833306 22.990 > 57 61 Na 0.24497004226743 0.00428497007464 0.73092179166694 22.990 > 61 62 Na 0.74497004226743 0.00428497007464 0.73092179166694 22.990 > 61 63 Na 0.24497004226743 0.50428497007464 0.73092179166694 22.990 > 61 64 Na 0.74497004226743 0.50428497007464 0.73092179166694 22.990 > 61 65 Na 0.25502995773257 0.25428497007464 0.26907820833307 22.990 > 65 66 Na 0.75502995773257 0.25428497007464 0.26907820833307 22.990 > 65 67 Na 0.25502995773257 0.75428497007464 0.26907820833307 22.990 > 65 68 Na 0.75502995773257 0.75428497007464 0.26907820833307 22.990 > 65 69 Na 0.25502995773257 0.49571502992536 0.26907820833307 22.990 > 69 70 Na 0.75502995773257 0.49571502992536 0.26907820833307 22.990 > 69 71 Na 0.25502995773257 0.99571502992536 0.26907820833307 22.990 > 69 72 Na 0.75502995773257 0.99571502992536 0.26907820833307 22.990 > 69 73 Na 0.00502995773257 0.49571502992536 0.23092179166693 22.990 > 73 74 Na 0.50502995773257 0.49571502992536 0.23092179166693 22.990 > 73 75 Na 0.00502995773257 0.99571502992536 0.23092179166693 22.990 > 73 76 Na 0.50502995773257 0.99571502992536 0.23092179166693 22.990 > 73 77 Na 0.49497004226743 0.00428497007464 0.76907820833306 22.990 > 77 78 Na 0.99497004226743 0.00428497007464 0.76907820833306 22.990 > 77 79 Na 0.49497004226743 0.50428497007464 0.76907820833306 22.990 > 77 80 Na 0.99497004226743 0.50428497007464 0.76907820833306 22.990 > 77 81 K 0.07941411963599 0.37500000000000 0.53137198123455 39.098 > 81 82 K 0.57941411963599 0.37500000000000 0.53137198123455 39.098 > 81 83 K 0.07941411963599 0.87500000000000 0.53137198123455 39.098 > 81 84 K 0.57941411963599 0.87500000000000 0.53137198123455 39.098 > 81 85 K 0.17058588036401 0.12500000000000 0.03137198123455 39.098 > 85 86 K 0.67058588036401 0.12500000000000 0.03137198123455 39.098 > 85 87 K 0.17058588036401 0.62500000000000 0.03137198123455 39.098 > 85 88 K 0.67058588036401 0.62500000000000 0.03137198123455 39.098 > 85 89 K 0.42058588036401 0.12500000000000 0.46862801876545 39.098 > 89 90 K 0.92058588036401 0.12500000000000 0.46862801876545 39.098 > 89 91 K 0.42058588036401 0.62500000000000 0.46862801876545 39.098 > 89 92 K 0.92058588036401 0.62500000000000 0.46862801876545 39.098 > 89 93 K 0.32941411963599 0.37500000000000 0.96862801876545 39.098 > 93 94 K 0.82941411963599 0.37500000000000 0.96862801876545 39.098 > 93 95 K 0.32941411963599 0.87500000000000 0.96862801876545 39.098 > 93 96 K 0.82941411963599 0.87500000000000 0.96862801876545 39.098 > 93 97 Ga 0.16537063340243 0.12500000000000 0.49050465790433 69.723 > 97 98 Ga 0.66537063340243 0.12500000000000 0.49050465790433 69.723 > 97 99 Ga 0.16537063340243 0.62500000000000 0.49050465790433 69.723 > 97 100 Ga 0.66537063340243 0.62500000000000 0.49050465790433 69.723 > 97 101 Ga 0.41537063340243 0.12500000000000 0.00949534209567 69.723 > 101 102 Ga 0.91537063340243 0.12500000000000 0.00949534209567 69.723 > 101 103 Ga 0.41537063340243 0.62500000000000 0.00949534209567 69.723 > 101 104 Ga 0.91537063340243 0.62500000000000 0.00949534209567 69.723 > 101 105 Ga 0.08462936659757 0.37500000000000 0.99050465790433 69.723 > 105 106 Ga 0.58462936659757 0.37500000000000 0.99050465790433 69.723 > 105 107 Ga 0.08462936659757 0.87500000000000 0.99050465790433 69.723 > 105 108 Ga 0.58462936659757 0.87500000000000 0.99050465790433 69.723 > 105 109 Ga 0.33462936659757 0.37500000000000 0.50949534209567 69.723 > 109 110 Ga 0.83462936659757 0.37500000000000 0.50949534209567 69.723 > 109 111 Ga 0.33462936659757 0.87500000000000 0.50949534209567 69.723 > 109 112 Ga 0.83462936659757 0.87500000000000 0.50949534209567 69.723 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0489706 0.0000000 0.0000000 0.0000000 3.1485734 0.0000000 0.0000000 0.0000000 3.0275406 -------------------------- Born effective charges -------------------------- 1 O -1.7632235 0.0000000 -0.3281378 0.0000000 -1.5017549 0.0000000 -0.1977457 0.0000000 -2.1507026 2 O -1.9669699 -0.7464614 0.0093800 -0.9092913 -2.7086864 0.1009746 0.0176056 0.1142390 -1.2946070 3 O -1.9669699 0.7464614 0.0093800 0.9092913 -2.7086864 -0.1009746 0.0176056 -0.1142390 -1.2946070 4 O -1.8659791 0.0000000 -0.3842603 0.0000000 -1.6121914 0.0000000 -0.2642313 0.0000000 -1.9975570 5 O -1.8659791 0.0000000 -0.3842603 0.0000000 -1.6121914 0.0000000 -0.2642313 0.0000000 -1.9975570 6 O -1.8659791 0.0000000 0.3842603 0.0000000 -1.6121914 0.0000000 0.2642313 0.0000000 -1.9975570 7 O -1.8659791 0.0000000 0.3842603 0.0000000 -1.6121914 0.0000000 0.2642313 0.0000000 -1.9975570 8 O -1.7632235 0.0000000 0.3281378 0.0000000 -1.5017549 0.0000000 0.1977457 0.0000000 -2.1507026 9 O -1.9669699 0.7464614 -0.0093800 0.9092913 -2.7086864 0.1009746 -0.0176056 0.1142390 -1.2946070 10 O -1.9669699 -0.7464614 -0.0093800 -0.9092913 -2.7086864 -0.1009746 -0.0176056 -0.1142390 -1.2946070 11 O -1.7632235 0.0000000 -0.3281378 0.0000000 -1.5017549 0.0000000 -0.1977457 0.0000000 -2.1507026 12 O -1.7632235 0.0000000 0.3281378 0.0000000 -1.5017549 0.0000000 0.1977457 0.0000000 -2.1507026 13 Na 0.9796357 -0.0407674 0.0402636 0.0468628 0.9713927 0.0082675 0.0092298 0.0020122 1.0539649 14 Na 0.9796357 -0.0407674 -0.0402636 0.0468628 0.9713927 -0.0082675 -0.0092298 -0.0020122 1.0539649 15 Na 0.9796357 -0.0407674 -0.0402636 0.0468628 0.9713927 -0.0082675 -0.0092298 -0.0020122 1.0539649 16 Na 0.9796357 0.0407674 0.0402636 -0.0468628 0.9713927 -0.0082675 0.0092298 -0.0020122 1.0539649 17 Na 0.9796357 -0.0407674 0.0402636 0.0468628 0.9713927 0.0082675 0.0092298 0.0020122 1.0539649 18 Na 0.9796357 0.0407674 0.0402636 -0.0468628 0.9713927 -0.0082675 0.0092298 -0.0020122 1.0539649 19 Na 0.9796357 0.0407674 -0.0402636 -0.0468628 0.9713927 0.0082675 -0.0092298 0.0020122 1.0539649 20 Na 0.9796357 0.0407674 -0.0402636 -0.0468628 0.9713927 0.0082675 -0.0092298 0.0020122 1.0539649 21 K 1.2882334 0.0000000 0.0110125 0.0000000 1.1258295 0.0000000 0.0235395 0.0000000 1.0154457 22 K 1.2882334 0.0000000 -0.0110125 0.0000000 1.1258295 0.0000000 -0.0235395 0.0000000 1.0154457 23 K 1.2882334 0.0000000 0.0110125 0.0000000 1.1258295 0.0000000 0.0235395 0.0000000 1.0154457 24 K 1.2882334 0.0000000 -0.0110125 0.0000000 1.1258295 0.0000000 -0.0235395 0.0000000 1.0154457 25 Ga 2.3486675 0.0000000 -0.0111582 0.0000000 2.7540178 0.0000000 -0.0259419 0.0000000 2.3194910 26 Ga 2.3486675 0.0000000 0.0111582 0.0000000 2.7540178 0.0000000 0.0259419 0.0000000 2.3194910 27 Ga 2.3486675 0.0000000 0.0111582 0.0000000 2.7540178 0.0000000 0.0259419 0.0000000 2.3194910 28 Ga 2.3486675 0.0000000 -0.0111582 0.0000000 2.7540178 0.0000000 -0.0259419 0.0000000 2.3194910 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:45:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:45:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.505997620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.166993610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): 1 O 0.21832616072358 0.25000000000000 0.32628534032058 15.999 2 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 4 O 0.67351158314437 0.25000000000000 0.86066310076979 15.999 5 O 0.32648841685563 0.75000000000000 0.13933689923021 15.999 6 O 0.17351158314437 0.25000000000000 0.63933689923021 15.999 7 O 0.82648841685563 0.75000000000000 0.36066310076979 15.999 8 O 0.28167383927642 0.75000000000000 0.82628534032058 15.999 9 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 10 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 11 O 0.78167383927642 0.75000000000000 0.67371465967942 15.999 12 O 0.71832616072358 0.25000000000000 0.17371465967942 15.999 13 Na 0.48994008453485 0.49143005985071 0.73092179166694 22.990 14 Na 0.01005991546515 0.50856994014929 0.23092179166693 22.990 15 Na 0.98994008453485 0.49143005985071 0.76907820833306 22.990 16 Na 0.48994008453485 0.00856994014929 0.73092179166694 22.990 17 Na 0.51005991546515 0.50856994014929 0.26907820833307 22.990 18 Na 0.51005991546515 0.99143005985071 0.26907820833307 22.990 19 Na 0.01005991546515 0.99143005985071 0.23092179166693 22.990 20 Na 0.98994008453485 0.00856994014929 0.76907820833306 22.990 21 K 0.15882823927198 0.75000000000000 0.53137198123455 39.098 22 K 0.34117176072802 0.25000000000000 0.03137198123455 39.098 23 K 0.84117176072802 0.25000000000000 0.46862801876545 39.098 24 K 0.65882823927198 0.75000000000000 0.96862801876545 39.098 25 Ga 0.33074126680485 0.25000000000000 0.49050465790433 69.723 26 Ga 0.83074126680485 0.25000000000000 0.00949534209567 69.723 27 Ga 0.16925873319515 0.75000000000000 0.99050465790433 69.723 28 Ga 0.66925873319515 0.75000000000000 0.50949534209567 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.011995239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.333987219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.203968489999999 Atomic positions (fractional): 1 O 0.10916308036179 0.12500000000000 0.32628534032058 15.999 > 1 2 O 0.60916308036179 0.12500000000000 0.32628534032058 15.999 > 1 3 O 0.10916308036179 0.62500000000000 0.32628534032058 15.999 > 1 4 O 0.60916308036179 0.62500000000000 0.32628534032058 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 5 6 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 5 7 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 5 8 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 9 13 O 0.33675579157219 0.12500000000000 0.86066310076979 15.999 > 13 14 O 0.83675579157219 0.12500000000000 0.86066310076979 15.999 > 13 15 O 0.33675579157219 0.62500000000000 0.86066310076979 15.999 > 13 16 O 0.83675579157219 0.62500000000000 0.86066310076979 15.999 > 13 17 O 0.16324420842781 0.37500000000000 0.13933689923021 15.999 > 17 18 O 0.66324420842781 0.37500000000000 0.13933689923021 15.999 > 17 19 O 0.16324420842781 0.87500000000000 0.13933689923021 15.999 > 17 20 O 0.66324420842781 0.87500000000000 0.13933689923021 15.999 > 17 21 O 0.08675579157219 0.12500000000000 0.63933689923021 15.999 > 21 22 O 0.58675579157219 0.12500000000000 0.63933689923021 15.999 > 21 23 O 0.08675579157219 0.62500000000000 0.63933689923021 15.999 > 21 24 O 0.58675579157219 0.62500000000000 0.63933689923021 15.999 > 21 25 O 0.41324420842781 0.37500000000000 0.36066310076979 15.999 > 25 26 O 0.91324420842781 0.37500000000000 0.36066310076979 15.999 > 25 27 O 0.41324420842781 0.87500000000000 0.36066310076979 15.999 > 25 28 O 0.91324420842781 0.87500000000000 0.36066310076979 15.999 > 25 29 O 0.14083691963821 0.37500000000000 0.82628534032058 15.999 > 29 30 O 0.64083691963821 0.37500000000000 0.82628534032058 15.999 > 29 31 O 0.14083691963821 0.87500000000000 0.82628534032058 15.999 > 29 32 O 0.64083691963821 0.87500000000000 0.82628534032058 15.999 > 29 33 O 0.25000000000000 0.00000000000000 0.50000000000000 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.50000000000000 15.999 > 33 35 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 33 36 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 33 37 O 0.25000000000000 0.25000000000000 0.50000000000000 15.999 > 37 38 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 > 37 39 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 > 37 40 O 0.75000000000000 0.75000000000000 0.50000000000000 15.999 > 37 41 O 0.39083691963821 0.37500000000000 0.67371465967942 15.999 > 41 42 O 0.89083691963821 0.37500000000000 0.67371465967942 15.999 > 41 43 O 0.39083691963821 0.87500000000000 0.67371465967942 15.999 > 41 44 O 0.89083691963821 0.87500000000000 0.67371465967942 15.999 > 41 45 O 0.35916308036179 0.12500000000000 0.17371465967942 15.999 > 45 46 O 0.85916308036179 0.12500000000000 0.17371465967942 15.999 > 45 47 O 0.35916308036179 0.62500000000000 0.17371465967942 15.999 > 45 48 O 0.85916308036179 0.62500000000000 0.17371465967942 15.999 > 45 49 Na 0.24497004226743 0.24571502992536 0.73092179166694 22.990 > 49 50 Na 0.74497004226743 0.24571502992536 0.73092179166694 22.990 > 49 51 Na 0.24497004226743 0.74571502992536 0.73092179166694 22.990 > 49 52 Na 0.74497004226743 0.74571502992536 0.73092179166694 22.990 > 49 53 Na 0.00502995773257 0.25428497007464 0.23092179166693 22.990 > 53 54 Na 0.50502995773257 0.25428497007464 0.23092179166693 22.990 > 53 55 Na 0.00502995773257 0.75428497007464 0.23092179166693 22.990 > 53 56 Na 0.50502995773257 0.75428497007464 0.23092179166693 22.990 > 53 57 Na 0.49497004226743 0.24571502992536 0.76907820833306 22.990 > 57 58 Na 0.99497004226743 0.24571502992536 0.76907820833306 22.990 > 57 59 Na 0.49497004226743 0.74571502992536 0.76907820833306 22.990 > 57 60 Na 0.99497004226743 0.74571502992536 0.76907820833306 22.990 > 57 61 Na 0.24497004226743 0.00428497007464 0.73092179166694 22.990 > 61 62 Na 0.74497004226743 0.00428497007464 0.73092179166694 22.990 > 61 63 Na 0.24497004226743 0.50428497007464 0.73092179166694 22.990 > 61 64 Na 0.74497004226743 0.50428497007464 0.73092179166694 22.990 > 61 65 Na 0.25502995773257 0.25428497007464 0.26907820833307 22.990 > 65 66 Na 0.75502995773257 0.25428497007464 0.26907820833307 22.990 > 65 67 Na 0.25502995773257 0.75428497007464 0.26907820833307 22.990 > 65 68 Na 0.75502995773257 0.75428497007464 0.26907820833307 22.990 > 65 69 Na 0.25502995773257 0.49571502992536 0.26907820833307 22.990 > 69 70 Na 0.75502995773257 0.49571502992536 0.26907820833307 22.990 > 69 71 Na 0.25502995773257 0.99571502992536 0.26907820833307 22.990 > 69 72 Na 0.75502995773257 0.99571502992536 0.26907820833307 22.990 > 69 73 Na 0.00502995773257 0.49571502992536 0.23092179166693 22.990 > 73 74 Na 0.50502995773257 0.49571502992536 0.23092179166693 22.990 > 73 75 Na 0.00502995773257 0.99571502992536 0.23092179166693 22.990 > 73 76 Na 0.50502995773257 0.99571502992536 0.23092179166693 22.990 > 73 77 Na 0.49497004226743 0.00428497007464 0.76907820833306 22.990 > 77 78 Na 0.99497004226743 0.00428497007464 0.76907820833306 22.990 > 77 79 Na 0.49497004226743 0.50428497007464 0.76907820833306 22.990 > 77 80 Na 0.99497004226743 0.50428497007464 0.76907820833306 22.990 > 77 81 K 0.07941411963599 0.37500000000000 0.53137198123455 39.098 > 81 82 K 0.57941411963599 0.37500000000000 0.53137198123455 39.098 > 81 83 K 0.07941411963599 0.87500000000000 0.53137198123455 39.098 > 81 84 K 0.57941411963599 0.87500000000000 0.53137198123455 39.098 > 81 85 K 0.17058588036401 0.12500000000000 0.03137198123455 39.098 > 85 86 K 0.67058588036401 0.12500000000000 0.03137198123455 39.098 > 85 87 K 0.17058588036401 0.62500000000000 0.03137198123455 39.098 > 85 88 K 0.67058588036401 0.62500000000000 0.03137198123455 39.098 > 85 89 K 0.42058588036401 0.12500000000000 0.46862801876545 39.098 > 89 90 K 0.92058588036401 0.12500000000000 0.46862801876545 39.098 > 89 91 K 0.42058588036401 0.62500000000000 0.46862801876545 39.098 > 89 92 K 0.92058588036401 0.62500000000000 0.46862801876545 39.098 > 89 93 K 0.32941411963599 0.37500000000000 0.96862801876545 39.098 > 93 94 K 0.82941411963599 0.37500000000000 0.96862801876545 39.098 > 93 95 K 0.32941411963599 0.87500000000000 0.96862801876545 39.098 > 93 96 K 0.82941411963599 0.87500000000000 0.96862801876545 39.098 > 93 97 Ga 0.16537063340243 0.12500000000000 0.49050465790433 69.723 > 97 98 Ga 0.66537063340243 0.12500000000000 0.49050465790433 69.723 > 97 99 Ga 0.16537063340243 0.62500000000000 0.49050465790433 69.723 > 97 100 Ga 0.66537063340243 0.62500000000000 0.49050465790433 69.723 > 97 101 Ga 0.41537063340243 0.12500000000000 0.00949534209567 69.723 > 101 102 Ga 0.91537063340243 0.12500000000000 0.00949534209567 69.723 > 101 103 Ga 0.41537063340243 0.62500000000000 0.00949534209567 69.723 > 101 104 Ga 0.91537063340243 0.62500000000000 0.00949534209567 69.723 > 101 105 Ga 0.08462936659757 0.37500000000000 0.99050465790433 69.723 > 105 106 Ga 0.58462936659757 0.37500000000000 0.99050465790433 69.723 > 105 107 Ga 0.08462936659757 0.87500000000000 0.99050465790433 69.723 > 105 108 Ga 0.58462936659757 0.87500000000000 0.99050465790433 69.723 > 105 109 Ga 0.33462936659757 0.37500000000000 0.50949534209567 69.723 > 109 110 Ga 0.83462936659757 0.37500000000000 0.50949534209567 69.723 > 109 111 Ga 0.33462936659757 0.87500000000000 0.50949534209567 69.723 > 109 112 Ga 0.83462936659757 0.87500000000000 0.50949534209567 69.723 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0489706 0.0000000 0.0000000 0.0000000 3.1485734 0.0000000 0.0000000 0.0000000 3.0275406 -------------------------- Born effective charges -------------------------- 1 O -1.7632235 0.0000000 -0.3281378 0.0000000 -1.5017549 0.0000000 -0.1977457 0.0000000 -2.1507026 2 O -1.9669699 -0.7464614 0.0093800 -0.9092913 -2.7086864 0.1009746 0.0176056 0.1142390 -1.2946070 3 O -1.9669699 0.7464614 0.0093800 0.9092913 -2.7086864 -0.1009746 0.0176056 -0.1142390 -1.2946070 4 O -1.8659791 0.0000000 -0.3842603 0.0000000 -1.6121914 0.0000000 -0.2642313 0.0000000 -1.9975570 5 O -1.8659791 0.0000000 -0.3842603 0.0000000 -1.6121914 0.0000000 -0.2642313 0.0000000 -1.9975570 6 O -1.8659791 0.0000000 0.3842603 0.0000000 -1.6121914 0.0000000 0.2642313 0.0000000 -1.9975570 7 O -1.8659791 0.0000000 0.3842603 0.0000000 -1.6121914 0.0000000 0.2642313 0.0000000 -1.9975570 8 O -1.7632235 0.0000000 0.3281378 0.0000000 -1.5017549 0.0000000 0.1977457 0.0000000 -2.1507026 9 O -1.9669699 0.7464614 -0.0093800 0.9092913 -2.7086864 0.1009746 -0.0176056 0.1142390 -1.2946070 10 O -1.9669699 -0.7464614 -0.0093800 -0.9092913 -2.7086864 -0.1009746 -0.0176056 -0.1142390 -1.2946070 11 O -1.7632235 0.0000000 -0.3281378 0.0000000 -1.5017549 0.0000000 -0.1977457 0.0000000 -2.1507026 12 O -1.7632235 0.0000000 0.3281378 0.0000000 -1.5017549 0.0000000 0.1977457 0.0000000 -2.1507026 13 Na 0.9796357 -0.0407674 0.0402636 0.0468628 0.9713927 0.0082675 0.0092298 0.0020122 1.0539649 14 Na 0.9796357 -0.0407674 -0.0402636 0.0468628 0.9713927 -0.0082675 -0.0092298 -0.0020122 1.0539649 15 Na 0.9796357 -0.0407674 -0.0402636 0.0468628 0.9713927 -0.0082675 -0.0092298 -0.0020122 1.0539649 16 Na 0.9796357 0.0407674 0.0402636 -0.0468628 0.9713927 -0.0082675 0.0092298 -0.0020122 1.0539649 17 Na 0.9796357 -0.0407674 0.0402636 0.0468628 0.9713927 0.0082675 0.0092298 0.0020122 1.0539649 18 Na 0.9796357 0.0407674 0.0402636 -0.0468628 0.9713927 -0.0082675 0.0092298 -0.0020122 1.0539649 19 Na 0.9796357 0.0407674 -0.0402636 -0.0468628 0.9713927 0.0082675 -0.0092298 0.0020122 1.0539649 20 Na 0.9796357 0.0407674 -0.0402636 -0.0468628 0.9713927 0.0082675 -0.0092298 0.0020122 1.0539649 21 K 1.2882334 0.0000000 0.0110125 0.0000000 1.1258295 0.0000000 0.0235395 0.0000000 1.0154457 22 K 1.2882334 0.0000000 -0.0110125 0.0000000 1.1258295 0.0000000 -0.0235395 0.0000000 1.0154457 23 K 1.2882334 0.0000000 0.0110125 0.0000000 1.1258295 0.0000000 0.0235395 0.0000000 1.0154457 24 K 1.2882334 0.0000000 -0.0110125 0.0000000 1.1258295 0.0000000 -0.0235395 0.0000000 1.0154457 25 Ga 2.3486675 0.0000000 -0.0111582 0.0000000 2.7540178 0.0000000 -0.0259419 0.0000000 2.3194910 26 Ga 2.3486675 0.0000000 0.0111582 0.0000000 2.7540178 0.0000000 0.0259419 0.0000000 2.3194910 27 Ga 2.3486675 0.0000000 0.0111582 0.0000000 2.7540178 0.0000000 0.0259419 0.0000000 2.3194910 28 Ga 2.3486675 0.0000000 -0.0111582 0.0000000 2.7540178 0.0000000 -0.0259419 0.0000000 2.3194910 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.56, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.297 ( 0.000 0.000 0.000) 0.000 1.379 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.119 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.685 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 18.169 ( 0.000 0.000 0.000) 0.000 18.499 ( 0.000 0.000 0.000) 0.000 18.540 ( 0.000 0.000 0.000) 0.000 18.546 ( 0.000 0.000 0.000) 0.000 18.858 ( 0.000 0.000 0.000) 0.000 19.683 ( 0.000 0.000 0.000) 0.000 19.767 ( 0.000 0.000 0.000) 0.000 21.477 ( 0.000 0.000 0.000) 0.000 21.479 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 28.394 0.000 0.000) 28.394 0.657 ( 33.767 0.000 0.000) 33.767 1.084 ( 52.681 0.000 0.000) 52.681 1.348 ( 5.029 0.000 0.000) 5.029 1.540 ( 4.602 0.000 0.000) 4.602 1.612 ( 23.382 0.000 0.000) 23.382 2.049 ( -7.089 0.000 0.000) 7.089 2.331 ( 15.433 0.000 0.000) 15.433 2.487 ( -0.181 0.000 0.000) 0.181 2.626 ( 19.760 0.000 0.000) 19.760 2.807 ( 2.948 0.000 0.000) 2.948 2.979 ( -3.514 0.000 0.000) 3.514 3.202 ( -7.501 0.000 0.000) 7.501 3.262 ( -10.241 0.000 0.000) 10.241 3.342 ( -3.235 0.000 0.000) 3.235 3.461 ( -3.137 0.000 0.000) 3.137 3.487 ( 4.367 0.000 0.000) 4.367 3.508 ( -3.122 0.000 0.000) 3.122 3.684 ( 0.563 0.000 0.000) 0.563 3.876 ( -0.493 0.000 0.000) 0.493 4.049 ( 0.506 0.000 0.000) 0.506 4.161 ( 1.622 0.000 0.000) 1.622 4.325 ( 0.617 0.000 0.000) 0.617 4.382 ( 13.624 0.000 0.000) 13.624 4.878 ( -1.712 0.000 0.000) 1.712 4.879 ( 3.027 0.000 0.000) 3.027 4.932 ( 2.393 0.000 0.000) 2.393 4.991 ( -2.402 0.000 0.000) 2.402 5.041 ( -1.717 0.000 0.000) 1.717 5.116 ( -17.768 0.000 0.000) 17.768 5.304 ( -3.204 0.000 0.000) 3.204 5.325 ( -0.645 0.000 0.000) 0.645 5.580 ( -12.805 0.000 0.000) 12.805 5.689 ( 18.252 0.000 0.000) 18.252 5.789 ( -13.791 0.000 0.000) 13.791 6.017 ( 5.971 0.000 0.000) 5.971 6.091 ( -3.178 0.000 0.000) 3.178 6.155 ( -1.676 0.000 0.000) 1.676 6.259 ( -6.346 0.000 0.000) 6.346 6.392 ( 6.493 0.000 0.000) 6.493 6.469 ( 8.165 0.000 0.000) 8.165 6.544 ( 1.608 0.000 0.000) 1.608 6.693 ( 1.265 0.000 0.000) 1.265 6.799 ( -13.939 0.000 0.000) 13.939 7.129 ( 1.885 0.000 0.000) 1.885 7.185 ( 2.614 0.000 0.000) 2.614 7.186 ( 4.545 0.000 0.000) 4.545 7.394 ( 3.177 0.000 0.000) 3.177 7.427 ( 2.238 0.000 0.000) 2.238 7.621 ( -4.107 0.000 0.000) 4.107 7.658 ( -6.090 0.000 0.000) 6.090 7.714 ( 4.243 0.000 0.000) 4.243 7.854 ( -4.449 0.000 0.000) 4.449 7.942 ( -3.547 0.000 0.000) 3.547 8.088 ( 3.919 0.000 0.000) 3.919 8.222 ( 7.111 0.000 0.000) 7.111 8.222 ( 1.197 0.000 0.000) 1.197 8.403 ( -1.577 0.000 0.000) 1.577 8.652 ( 1.677 0.000 0.000) 1.677 8.731 ( -10.111 0.000 0.000) 10.111 8.811 ( 1.917 0.000 0.000) 1.917 9.066 ( -23.526 0.000 0.000) 23.526 9.086 ( -4.167 0.000 0.000) 4.167 9.230 ( 0.169 0.000 0.000) 0.169 9.596 ( 0.859 0.000 0.000) 0.859 9.869 ( 0.020 0.000 0.000) 0.020 9.957 ( 12.470 0.000 0.000) 12.470 10.074 ( -2.866 0.000 0.000) 2.866 10.211 ( 13.344 0.000 0.000) 13.344 10.639 ( -4.743 0.000 0.000) 4.743 10.646 ( -0.803 0.000 0.000) 0.803 11.140 ( -0.755 0.000 0.000) 0.755 17.274 ( 6.085 0.000 0.000) 6.085 18.165 ( 0.011 0.000 0.000) 0.011 18.169 ( -0.034 0.000 0.000) 0.034 18.454 ( -2.169 0.000 0.000) 2.169 18.536 ( -1.043 0.000 0.000) 1.043 18.625 ( 6.312 0.000 0.000) 6.312 18.701 ( -10.069 0.000 0.000) 10.069 19.026 ( 6.405 0.000 0.000) 6.405 19.638 ( -4.299 0.000 0.000) 4.299 19.760 ( -5.368 0.000 0.000) 5.368 21.500 ( 2.166 0.000 0.000) 2.166 21.750 ( -1.401 0.000 0.000) 1.401 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 20.237 0.000 0.000) 20.237 1.289 ( 31.835 0.000 0.000) 31.835 1.472 ( 7.207 0.000 0.000) 7.207 1.496 ( 3.190 0.000 0.000) 3.190 1.914 ( -7.038 0.000 0.000) 7.038 2.181 ( 32.217 0.000 0.000) 32.217 2.214 ( 52.233 0.000 0.000) 52.233 2.482 ( -0.224 0.000 0.000) 0.224 2.715 ( 22.122 0.000 0.000) 22.122 2.820 ( -3.132 0.000 0.000) 3.132 2.876 ( -4.564 0.000 0.000) 4.564 3.016 ( -11.403 0.000 0.000) 11.403 3.096 ( 25.875 0.000 0.000) 25.875 3.144 ( 1.413 0.000 0.000) 1.413 3.218 ( -7.789 0.000 0.000) 7.789 3.350 ( -13.278 0.000 0.000) 13.278 3.403 ( -1.366 0.000 0.000) 1.366 3.544 ( -2.223 0.000 0.000) 2.223 3.776 ( 10.570 0.000 0.000) 10.570 3.925 ( 6.011 0.000 0.000) 6.011 4.072 ( 2.086 0.000 0.000) 2.086 4.193 ( 1.324 0.000 0.000) 1.324 4.355 ( 1.870 0.000 0.000) 1.870 4.660 ( 13.214 0.000 0.000) 13.214 4.724 ( -21.889 0.000 0.000) 21.889 4.747 ( -10.581 0.000 0.000) 10.581 4.921 ( -6.938 0.000 0.000) 6.938 4.951 ( 4.565 0.000 0.000) 4.565 5.024 ( 6.105 0.000 0.000) 6.105 5.046 ( 1.855 0.000 0.000) 1.855 5.227 ( -3.635 0.000 0.000) 3.635 5.266 ( -19.885 0.000 0.000) 19.885 5.309 ( -0.742 0.000 0.000) 0.742 5.505 ( -14.475 0.000 0.000) 14.475 5.975 ( -8.473 0.000 0.000) 8.473 6.048 ( -16.859 0.000 0.000) 16.859 6.093 ( 2.121 0.000 0.000) 2.121 6.122 ( -1.398 0.000 0.000) 1.398 6.122 ( 25.281 0.000 0.000) 25.281 6.484 ( 2.701 0.000 0.000) 2.701 6.518 ( -11.826 0.000 0.000) 11.826 6.553 ( 0.899 0.000 0.000) 0.899 6.577 ( 1.548 0.000 0.000) 1.548 6.847 ( 13.222 0.000 0.000) 13.222 7.188 ( 3.895 0.000 0.000) 3.895 7.246 ( 3.317 0.000 0.000) 3.317 7.298 ( 7.034 0.000 0.000) 7.034 7.459 ( 3.224 0.000 0.000) 3.224 7.468 ( 0.733 0.000 0.000) 0.733 7.505 ( -6.506 0.000 0.000) 6.506 7.530 ( -6.421 0.000 0.000) 6.421 7.758 ( -5.384 0.000 0.000) 5.384 7.791 ( 2.071 0.000 0.000) 2.071 7.909 ( 0.418 0.000 0.000) 0.418 8.167 ( 4.106 0.000 0.000) 4.106 8.201 ( -9.566 0.000 0.000) 9.566 8.252 ( 1.699 0.000 0.000) 1.699 8.437 ( -3.305 0.000 0.000) 3.305 8.505 ( -6.992 0.000 0.000) 6.992 8.698 ( 3.027 0.000 0.000) 3.027 8.702 ( -9.591 0.000 0.000) 9.591 8.852 ( 1.942 0.000 0.000) 1.942 8.964 ( -7.986 0.000 0.000) 7.986 9.213 ( -2.559 0.000 0.000) 2.559 9.624 ( 2.131 0.000 0.000) 2.131 9.884 ( 2.002 0.000 0.000) 2.002 9.996 ( -5.097 0.000 0.000) 5.097 10.147 ( 8.761 0.000 0.000) 8.761 10.504 ( 14.933 0.000 0.000) 14.933 10.509 ( -8.569 0.000 0.000) 8.569 10.619 ( -2.152 0.000 0.000) 2.152 11.112 ( -2.364 0.000 0.000) 2.364 17.441 ( 10.938 0.000 0.000) 10.938 18.166 ( 0.013 0.000 0.000) 0.013 18.168 ( -0.050 0.000 0.000) 0.050 18.428 ( -0.554 0.000 0.000) 0.554 18.468 ( -10.029 0.000 0.000) 10.029 18.530 ( -3.654 0.000 0.000) 3.654 18.768 ( 8.483 0.000 0.000) 8.483 19.133 ( 4.734 0.000 0.000) 4.734 19.536 ( -5.849 0.000 0.000) 5.849 19.617 ( -9.147 0.000 0.000) 9.147 21.548 ( 2.609 0.000 0.000) 2.609 21.715 ( -2.154 0.000 0.000) 2.154 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 14.120 0.000 0.000) 14.120 1.559 ( 3.974 0.000 0.000) 3.974 1.594 ( 4.519 0.000 0.000) 4.519 1.767 ( -4.186 0.000 0.000) 4.186 1.882 ( 25.609 0.000 0.000) 25.609 2.476 ( -0.994 0.000 0.000) 0.994 2.679 ( -4.279 0.000 0.000) 4.279 2.719 ( 19.210 0.000 0.000) 19.210 2.779 ( -4.562 0.000 0.000) 4.562 2.793 ( -10.843 0.000 0.000) 10.843 2.965 ( -7.275 0.000 0.000) 7.275 3.079 ( -6.255 0.000 0.000) 6.255 3.202 ( 8.886 0.000 0.000) 8.886 3.213 ( 19.301 0.000 0.000) 19.301 3.254 ( 36.678 0.000 0.000) 36.678 3.437 ( -7.706 0.000 0.000) 7.706 3.554 ( 19.346 0.000 0.000) 19.346 3.614 ( 26.145 0.000 0.000) 26.145 3.969 ( 3.725 0.000 0.000) 3.725 4.072 ( 7.696 0.000 0.000) 7.696 4.139 ( 5.649 0.000 0.000) 5.649 4.202 ( -0.465 0.000 0.000) 0.465 4.313 ( -18.615 0.000 0.000) 18.615 4.350 ( -3.991 0.000 0.000) 3.991 4.509 ( -13.870 0.000 0.000) 13.870 4.697 ( -17.416 0.000 0.000) 17.416 4.780 ( -2.640 0.000 0.000) 2.640 4.851 ( -20.873 0.000 0.000) 20.873 5.026 ( 0.549 0.000 0.000) 0.549 5.044 ( -2.283 0.000 0.000) 2.283 5.117 ( 4.036 0.000 0.000) 4.036 5.260 ( 8.993 0.000 0.000) 8.993 5.303 ( -0.482 0.000 0.000) 0.482 5.321 ( -1.618 0.000 0.000) 1.618 5.657 ( -20.079 0.000 0.000) 20.079 5.769 ( -12.642 0.000 0.000) 12.642 6.106 ( -0.205 0.000 0.000) 0.205 6.114 ( 0.245 0.000 0.000) 0.245 6.393 ( -2.069 0.000 0.000) 2.069 6.449 ( -0.204 0.000 0.000) 0.204 6.569 ( 1.091 0.000 0.000) 1.091 6.596 ( 0.352 0.000 0.000) 0.352 6.664 ( 24.288 0.000 0.000) 24.288 7.096 ( 11.448 0.000 0.000) 11.448 7.258 ( 2.911 0.000 0.000) 2.911 7.294 ( 1.027 0.000 0.000) 1.027 7.389 ( -8.457 0.000 0.000) 8.457 7.423 ( -6.530 0.000 0.000) 6.530 7.443 ( 6.130 0.000 0.000) 6.130 7.463 ( 5.856 0.000 0.000) 5.856 7.512 ( 2.378 0.000 0.000) 2.378 7.652 ( -5.387 0.000 0.000) 5.387 7.744 ( -6.599 0.000 0.000) 6.599 7.943 ( 2.707 0.000 0.000) 2.707 8.001 ( -12.254 0.000 0.000) 12.254 8.121 ( -14.679 0.000 0.000) 14.679 8.238 ( 3.093 0.000 0.000) 3.093 8.279 ( 0.927 0.000 0.000) 0.927 8.531 ( 2.953 0.000 0.000) 2.953 8.755 ( 9.531 0.000 0.000) 9.531 8.764 ( 3.704 0.000 0.000) 3.704 8.796 ( -9.068 0.000 0.000) 9.068 8.868 ( -0.544 0.000 0.000) 0.544 9.120 ( -7.065 0.000 0.000) 7.065 9.681 ( 3.882 0.000 0.000) 3.882 9.886 ( -6.084 0.000 0.000) 6.084 9.961 ( 6.246 0.000 0.000) 6.246 10.309 ( 8.105 0.000 0.000) 8.105 10.321 ( -10.570 0.000 0.000) 10.570 10.558 ( -4.309 0.000 0.000) 4.309 10.754 ( 10.973 0.000 0.000) 10.973 11.045 ( -4.667 0.000 0.000) 4.667 17.681 ( 13.757 0.000 0.000) 13.757 18.166 ( 0.014 0.000 0.000) 0.014 18.167 ( -0.043 0.000 0.000) 0.043 18.228 ( -13.649 0.000 0.000) 13.649 18.431 ( 0.756 0.000 0.000) 0.756 18.488 ( -1.871 0.000 0.000) 1.871 18.947 ( 10.061 0.000 0.000) 10.061 19.204 ( 2.178 0.000 0.000) 2.178 19.429 ( -5.060 0.000 0.000) 5.060 19.430 ( -9.316 0.000 0.000) 9.316 21.594 ( 2.144 0.000 0.000) 2.144 21.672 ( -2.167 0.000 0.000) 2.167 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -4.419 0.000 0.000) 4.419 1.603 ( 4.419 0.000 0.000) 4.419 1.653 ( -5.662 0.000 0.000) 5.662 1.653 ( 5.662 0.000 0.000) 5.662 2.338 ( -17.195 0.000 0.000) 17.195 2.338 ( 17.195 0.000 0.000) 17.195 2.647 ( -3.152 0.000 0.000) 3.152 2.647 ( 3.152 0.000 0.000) 3.152 2.748 ( -4.022 0.000 0.000) 4.022 2.748 ( 4.022 0.000 0.000) 4.022 2.966 ( -6.980 0.000 0.000) 6.980 2.966 ( 6.980 0.000 0.000) 6.980 3.282 ( -7.171 0.000 0.000) 7.171 3.282 ( 7.171 0.000 0.000) 7.171 3.709 ( -24.162 0.000 0.000) 24.162 3.709 ( 24.162 0.000 0.000) 24.162 3.935 ( -11.051 0.000 0.000) 11.051 3.935 ( 11.051 0.000 0.000) 11.051 4.003 ( -21.907 0.000 0.000) 21.907 4.003 ( 21.907 0.000 0.000) 21.907 4.190 ( -8.416 0.000 0.000) 8.416 4.190 ( 8.416 0.000 0.000) 8.416 4.201 ( -1.183 0.000 0.000) 1.183 4.201 ( 1.183 0.000 0.000) 1.183 4.333 ( -14.474 0.000 0.000) 14.474 4.333 ( 14.474 0.000 0.000) 14.474 4.667 ( -3.766 0.000 0.000) 3.766 4.667 ( 3.766 0.000 0.000) 3.766 5.002 ( -0.555 0.000 0.000) 0.555 5.002 ( 0.555 0.000 0.000) 0.555 5.238 ( -6.736 0.000 0.000) 6.736 5.238 ( 6.736 0.000 0.000) 6.736 5.391 ( -7.346 0.000 0.000) 7.346 5.391 ( 7.346 0.000 0.000) 7.346 5.505 ( -14.318 0.000 0.000) 14.318 5.505 ( 14.318 0.000 0.000) 14.318 6.110 ( -0.415 0.000 0.000) 0.415 6.110 ( 0.415 0.000 0.000) 0.415 6.403 ( -2.419 0.000 0.000) 2.419 6.403 ( 2.419 0.000 0.000) 2.419 6.590 ( -0.879 0.000 0.000) 0.879 6.590 ( 0.879 0.000 0.000) 0.879 7.111 ( -19.881 0.000 0.000) 19.881 7.111 ( 19.881 0.000 0.000) 19.881 7.260 ( -5.126 0.000 0.000) 5.126 7.260 ( 5.126 0.000 0.000) 5.126 7.318 ( -4.080 0.000 0.000) 4.080 7.318 ( 4.080 0.000 0.000) 4.080 7.564 ( -3.492 0.000 0.000) 3.492 7.564 ( 3.492 0.000 0.000) 3.492 7.596 ( -8.594 0.000 0.000) 8.594 7.596 ( 8.594 0.000 0.000) 8.594 7.671 ( -15.887 0.000 0.000) 15.887 7.671 ( 15.887 0.000 0.000) 15.887 8.000 ( -3.193 0.000 0.000) 3.193 8.000 ( 3.193 0.000 0.000) 3.193 8.279 ( -1.058 0.000 0.000) 1.058 8.279 ( 1.058 0.000 0.000) 1.058 8.634 ( -7.398 0.000 0.000) 7.398 8.634 ( 7.398 0.000 0.000) 7.398 8.831 ( -3.043 0.000 0.000) 3.043 8.831 ( 3.043 0.000 0.000) 3.043 8.952 ( -10.063 0.000 0.000) 10.063 8.952 ( 10.063 0.000 0.000) 10.063 9.772 ( -5.523 0.000 0.000) 5.523 9.772 ( 5.523 0.000 0.000) 5.523 10.120 ( -9.859 0.000 0.000) 9.859 10.120 ( 9.859 0.000 0.000) 9.859 10.452 ( -6.606 0.000 0.000) 6.606 10.452 ( 6.606 0.000 0.000) 6.606 10.929 ( -7.447 0.000 0.000) 7.447 10.929 ( 7.447 0.000 0.000) 7.447 17.956 ( -14.486 0.000 0.000) 14.486 17.956 ( 14.486 0.000 0.000) 14.486 18.166 ( -0.025 0.000 0.000) 0.025 18.166 ( 0.025 0.000 0.000) 0.025 18.454 ( -1.570 0.000 0.000) 1.570 18.454 ( 1.570 0.000 0.000) 1.570 19.140 ( -9.059 0.000 0.000) 9.059 19.140 ( 9.059 0.000 0.000) 9.059 19.353 ( -2.011 0.000 0.000) 2.011 19.353 ( 2.011 0.000 0.000) 2.011 21.633 ( -1.961 0.000 0.000) 1.961 21.633 ( 1.961 0.000 0.000) 1.961 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 31.606 0.000) 31.606 0.683 ( 0.000 32.783 0.000) 32.783 1.164 ( 0.000 53.712 0.000) 53.712 1.532 ( 0.000 3.364 0.000) 3.364 1.656 ( 0.000 28.042 0.000) 28.042 2.034 ( 0.000 -9.061 0.000) 9.061 2.155 ( 0.000 1.273 0.000) 1.273 2.495 ( 0.000 9.689 0.000) 9.689 2.548 ( 0.000 9.232 0.000) 9.232 2.775 ( 0.000 18.029 0.000) 18.029 2.932 ( 0.000 4.012 0.000) 4.012 2.965 ( 0.000 -3.939 0.000) 3.939 3.266 ( 0.000 -8.538 0.000) 8.538 3.346 ( 0.000 0.009 0.000) 0.009 3.391 ( 0.000 8.408 0.000) 8.408 3.483 ( 0.000 -4.302 0.000) 4.302 3.500 ( 0.000 1.582 0.000) 1.582 3.579 ( 0.000 10.945 0.000) 10.945 3.750 ( 0.000 7.019 0.000) 7.019 3.856 ( 0.000 -0.388 0.000) 0.388 4.043 ( 0.000 -1.067 0.000) 1.067 4.097 ( 0.000 -3.993 0.000) 3.993 4.238 ( 0.000 -9.124 0.000) 9.124 4.349 ( 0.000 14.213 0.000) 14.213 4.765 ( 0.000 -11.312 0.000) 11.312 4.777 ( 0.000 -6.446 0.000) 6.446 4.933 ( 0.000 -5.556 0.000) 5.556 4.956 ( 0.000 6.838 0.000) 6.838 4.982 ( 0.000 -7.932 0.000) 7.932 5.242 ( 0.000 -4.432 0.000) 4.432 5.330 ( 0.000 -4.220 0.000) 4.220 5.347 ( 0.000 1.146 0.000) 1.146 5.659 ( 0.000 11.563 0.000) 11.563 5.697 ( 0.000 -3.442 0.000) 3.442 5.868 ( 0.000 -0.853 0.000) 0.853 5.896 ( 0.000 -0.516 0.000) 0.516 5.922 ( 0.000 -0.804 0.000) 0.804 5.972 ( 0.000 -2.449 0.000) 2.449 6.342 ( 0.000 12.530 0.000) 12.530 6.406 ( 0.000 4.753 0.000) 4.753 6.411 ( 0.000 1.325 0.000) 1.325 6.470 ( 0.000 -5.739 0.000) 5.739 6.640 ( 0.000 1.256 0.000) 1.256 6.757 ( 0.000 -16.112 0.000) 16.112 7.082 ( 0.000 -5.063 0.000) 5.063 7.085 ( 0.000 9.194 0.000) 9.194 7.126 ( 0.000 0.718 0.000) 0.718 7.274 ( 0.000 -6.123 0.000) 6.123 7.423 ( 0.000 15.171 0.000) 15.171 7.431 ( 0.000 1.914 0.000) 1.914 7.654 ( 0.000 -0.564 0.000) 0.564 7.767 ( 0.000 1.302 0.000) 1.302 7.880 ( 0.000 -2.184 0.000) 2.184 7.966 ( 0.000 0.480 0.000) 0.480 8.109 ( 0.000 4.581 0.000) 4.581 8.143 ( 0.000 -2.018 0.000) 2.018 8.234 ( 0.000 5.689 0.000) 5.689 8.458 ( 0.000 3.295 0.000) 3.295 8.682 ( 0.000 -5.353 0.000) 5.353 8.731 ( 0.000 -17.064 0.000) 17.064 8.896 ( 0.000 -20.325 0.000) 20.325 8.941 ( 0.000 5.496 0.000) 5.496 9.129 ( 0.000 -21.995 0.000) 21.995 9.158 ( 0.000 -5.392 0.000) 5.392 9.594 ( 0.000 0.843 0.000) 0.843 9.723 ( 0.000 1.965 0.000) 1.965 10.049 ( 0.000 4.575 0.000) 4.575 10.077 ( 0.000 5.211 0.000) 5.211 10.213 ( 0.000 12.889 0.000) 12.889 10.789 ( 0.000 8.943 0.000) 8.943 11.010 ( 0.000 1.538 0.000) 1.538 11.621 ( 0.000 -0.828 0.000) 0.828 17.224 ( 0.000 0.999 0.000) 0.999 17.331 ( 0.000 3.326 0.000) 3.326 18.074 ( 0.000 -8.461 0.000) 8.461 18.499 ( 0.000 0.002 0.000) 0.002 18.538 ( 0.000 -0.218 0.000) 0.218 18.578 ( 0.000 3.096 0.000) 3.096 18.730 ( 0.000 -11.249 0.000) 11.249 19.701 ( 0.000 -6.378 0.000) 6.378 19.836 ( 0.000 14.007 0.000) 14.007 20.238 ( 0.000 11.112 0.000) 11.112 21.449 ( 0.000 -2.783 0.000) 2.783 21.455 ( 0.000 -2.449 0.000) 2.449 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 21.992 21.328 0.000) 30.635 0.910 ( 23.019 21.175 0.000) 31.277 1.478 ( 7.081 9.811 0.000) 12.100 1.648 ( 27.189 29.146 0.000) 39.859 1.688 ( 3.264 26.749 0.000) 26.947 2.062 ( -6.801 2.267 0.000) 7.169 2.127 ( 5.516 -3.652 0.000) 6.616 2.360 ( -4.641 32.052 0.000) 32.386 2.677 ( 2.431 12.463 0.000) 12.698 2.694 ( 16.736 6.394 0.000) 17.916 2.908 ( 2.635 7.031 0.000) 7.509 2.931 ( -3.043 -3.572 0.000) 4.693 3.123 ( -9.856 -7.848 0.000) 12.599 3.230 ( -8.031 1.589 0.000) 8.187 3.455 ( -3.073 2.149 0.000) 3.750 3.466 ( -0.209 10.248 0.000) 10.251 3.569 ( 2.809 8.136 0.000) 8.608 3.615 ( 7.368 2.435 0.000) 7.760 3.754 ( 0.769 7.296 0.000) 7.336 3.914 ( 0.028 2.173 0.000) 2.173 4.023 ( 0.122 -3.477 0.000) 3.479 4.108 ( 1.030 -4.572 0.000) 4.686 4.229 ( 6.149 -1.747 0.000) 6.392 4.493 ( 4.259 5.806 0.000) 7.200 4.716 ( -6.671 -12.976 0.000) 14.590 4.814 ( 4.902 -6.597 0.000) 8.219 4.896 ( -1.616 -7.129 0.000) 7.310 4.934 ( -0.864 1.440 0.000) 1.679 4.965 ( -2.563 -5.202 0.000) 5.799 5.212 ( -5.048 1.100 0.000) 5.166 5.249 ( -6.857 -1.061 0.000) 6.939 5.268 ( -3.787 -1.762 0.000) 4.177 5.668 ( -12.136 2.878 0.000) 12.473 5.749 ( -5.108 -2.456 0.000) 5.668 5.821 ( 14.284 10.108 0.000) 17.499 5.997 ( 4.212 -4.463 0.000) 6.136 6.066 ( 12.341 -14.433 0.000) 18.990 6.076 ( 6.127 1.884 0.000) 6.410 6.278 ( -7.383 0.853 0.000) 7.432 6.305 ( -2.519 11.869 0.000) 12.133 6.487 ( 0.873 0.029 0.000) 0.874 6.566 ( 4.703 -2.284 0.000) 5.228 6.610 ( -1.050 1.876 0.000) 2.150 6.898 ( 11.091 -24.461 0.000) 26.858 6.977 ( -9.669 9.754 0.000) 13.734 7.115 ( 2.884 -3.084 0.000) 4.222 7.149 ( 3.295 -2.671 0.000) 4.241 7.321 ( 4.135 -5.005 0.000) 6.492 7.444 ( 1.420 1.009 0.000) 1.742 7.474 ( 3.289 9.070 0.000) 9.648 7.670 ( -5.096 -1.447 0.000) 5.297 7.713 ( 1.832 1.958 0.000) 2.681 7.849 ( -2.574 -0.298 0.000) 2.591 7.956 ( -2.166 0.716 0.000) 2.282 8.133 ( 2.199 2.408 0.000) 3.261 8.152 ( 0.057 -4.517 0.000) 4.517 8.264 ( 1.972 0.928 0.000) 2.180 8.445 ( -1.510 3.674 0.000) 3.972 8.583 ( -8.412 -10.948 0.000) 13.807 8.622 ( -6.532 -4.417 0.000) 7.886 8.877 ( -2.367 -18.696 0.000) 18.846 8.917 ( -6.761 -1.281 0.000) 6.882 9.034 ( -3.412 1.148 0.000) 3.600 9.276 ( 7.236 -6.983 0.000) 10.056 9.576 ( -2.596 -7.532 0.000) 7.967 9.640 ( -1.807 -1.635 0.000) 2.437 10.098 ( 4.699 0.852 0.000) 4.776 10.185 ( -2.829 10.891 0.000) 11.252 10.303 ( 16.855 8.820 0.000) 19.023 10.546 ( -19.208 10.724 0.000) 21.999 10.974 ( -3.306 4.177 0.000) 5.327 11.414 ( -10.131 14.766 0.000) 17.907 17.279 ( 5.575 0.519 0.000) 5.599 17.621 ( 18.213 -15.247 0.000) 23.753 18.072 ( -0.250 -8.584 0.000) 8.587 18.460 ( -1.823 0.532 0.000) 1.899 18.567 ( -1.462 2.393 0.000) 2.804 18.617 ( 5.924 -0.797 0.000) 5.977 18.650 ( -7.663 -8.730 0.000) 11.616 19.611 ( -8.795 2.760 0.000) 9.218 19.797 ( -3.774 14.450 0.000) 14.935 19.889 ( -17.014 26.664 0.000) 31.630 21.468 ( 1.808 -3.128 0.000) 3.613 21.582 ( 5.031 -10.088 0.000) 11.273 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 21.792 15.245 0.000) 26.595 1.405 ( 26.679 10.584 0.000) 28.701 1.531 ( 3.862 3.594 0.000) 5.276 1.773 ( 4.973 22.700 0.000) 23.238 1.938 ( -5.618 4.834 0.000) 7.411 2.183 ( 24.035 17.005 0.000) 29.442 2.273 ( 8.799 -11.583 0.000) 14.546 2.641 ( 24.822 21.325 0.000) 32.725 2.797 ( 2.237 -0.487 0.000) 2.289 2.820 ( -5.110 -4.185 0.000) 6.605 2.934 ( 6.196 12.622 0.000) 14.061 3.001 ( -3.477 -0.755 0.000) 3.558 3.082 ( 7.602 2.915 0.000) 8.142 3.153 ( 14.798 4.344 0.000) 15.423 3.367 ( -7.022 12.761 0.000) 14.566 3.426 ( 3.292 6.227 0.000) 7.044 3.620 ( -1.644 6.977 0.000) 7.168 3.670 ( -4.280 17.527 0.000) 18.042 3.852 ( 9.971 6.876 0.000) 12.112 3.917 ( 4.920 -0.385 0.000) 4.935 4.038 ( 1.159 -3.135 0.000) 3.342 4.127 ( 0.751 -5.639 0.000) 5.689 4.322 ( 1.243 -2.400 0.000) 2.703 4.516 ( -12.894 -9.809 0.000) 16.201 4.636 ( 11.473 -1.048 0.000) 11.521 4.794 ( -10.903 -9.623 0.000) 14.542 4.914 ( -5.607 0.993 0.000) 5.694 4.923 ( 0.199 -5.633 0.000) 5.636 4.960 ( 7.941 -2.441 0.000) 8.308 5.006 ( -10.943 1.587 0.000) 11.057 5.181 ( -2.337 -2.961 0.000) 3.772 5.214 ( -0.160 -0.424 0.000) 0.453 5.445 ( -10.203 6.128 0.000) 11.902 5.584 ( -10.009 6.243 0.000) 11.796 6.012 ( -4.715 3.390 0.000) 5.807 6.087 ( -9.361 1.854 0.000) 9.543 6.133 ( 7.261 -4.755 0.000) 8.679 6.172 ( 0.006 5.526 0.000) 5.527 6.222 ( 10.913 8.696 0.000) 13.954 6.322 ( 6.859 -2.168 0.000) 7.194 6.374 ( -9.694 -4.897 0.000) 10.860 6.626 ( 2.138 -0.385 0.000) 2.172 6.646 ( 0.602 2.249 0.000) 2.328 6.856 ( 2.225 1.131 0.000) 2.496 7.065 ( 7.020 -15.089 0.000) 16.643 7.214 ( 7.211 -4.727 0.000) 8.622 7.218 ( 2.733 -5.354 0.000) 6.011 7.404 ( 3.619 -3.868 0.000) 5.298 7.468 ( 0.405 -0.834 0.000) 0.927 7.494 ( -1.000 4.908 0.000) 5.008 7.532 ( -7.240 0.091 0.000) 7.241 7.769 ( 1.604 -1.600 0.000) 2.266 7.793 ( -3.304 3.108 0.000) 4.536 7.892 ( -2.991 -0.860 0.000) 3.112 8.118 ( -4.528 -5.211 0.000) 6.903 8.175 ( 1.971 -0.674 0.000) 2.083 8.224 ( -8.526 -6.740 0.000) 10.868 8.408 ( -0.189 -2.298 0.000) 2.306 8.501 ( -5.857 4.558 0.000) 7.421 8.502 ( -0.816 -12.745 0.000) 12.771 8.670 ( -11.336 -2.503 0.000) 11.609 8.815 ( -3.754 -13.254 0.000) 13.775 9.106 ( 6.427 18.805 0.000) 19.873 9.361 ( 1.522 -1.109 0.000) 1.884 9.546 ( 0.547 -21.604 0.000) 21.611 9.656 ( 2.481 1.191 0.000) 2.752 10.107 ( -5.250 7.060 0.000) 8.798 10.221 ( 7.760 0.853 0.000) 7.807 10.223 ( -14.000 2.225 0.000) 14.175 10.614 ( 14.771 8.195 0.000) 16.892 10.882 ( -6.234 5.628 0.000) 8.399 11.280 ( -5.428 12.884 0.000) 13.981 17.432 ( 10.130 -0.728 0.000) 10.156 17.870 ( 8.338 -16.082 0.000) 18.115 18.065 ( -0.479 -8.938 0.000) 8.951 18.437 ( -11.780 -6.056 0.000) 13.245 18.440 ( -0.262 1.104 0.000) 1.134 18.552 ( -2.055 2.516 0.000) 3.249 18.752 ( 8.070 -1.534 0.000) 8.214 19.450 ( -7.091 7.714 0.000) 10.478 19.679 ( -7.550 17.960 0.000) 19.482 19.709 ( -4.928 15.595 0.000) 16.355 21.508 ( 2.115 -3.917 0.000) 4.452 21.618 ( -0.208 -8.172 0.000) 8.174 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 4.866 1.892 0.000) 5.221 1.744 ( 13.158 23.973 0.000) 27.347 1.763 ( -3.134 0.756 0.000) 3.224 1.872 ( 10.425 17.230 0.000) 20.139 1.959 ( 14.667 12.341 0.000) 19.168 2.360 ( 2.375 -9.213 0.000) 9.514 2.630 ( 2.036 -2.965 0.000) 3.596 2.685 ( 10.089 -1.604 0.000) 10.216 2.700 ( -7.112 -3.971 0.000) 8.146 2.840 ( -7.307 1.492 0.000) 7.458 2.990 ( 3.786 4.798 0.000) 6.112 3.219 ( 20.959 3.300 0.000) 21.217 3.239 ( -5.781 13.862 0.000) 15.020 3.306 ( 14.240 8.215 0.000) 16.439 3.476 ( 1.949 1.197 0.000) 2.287 3.515 ( -1.741 21.738 0.000) 21.808 3.616 ( 12.971 3.758 0.000) 13.504 3.815 ( 29.855 18.931 0.000) 35.351 3.973 ( -2.453 -3.419 0.000) 4.208 4.063 ( 4.543 -1.925 0.000) 4.934 4.097 ( 9.343 -1.523 0.000) 9.467 4.123 ( -4.799 -5.624 0.000) 7.393 4.259 ( -11.410 -1.362 0.000) 11.491 4.269 ( -7.229 -7.134 0.000) 10.157 4.539 ( -12.952 -4.347 0.000) 13.662 4.658 ( -13.207 6.855 0.000) 14.880 4.826 ( 5.829 3.044 0.000) 6.576 4.881 ( -6.142 -0.474 0.000) 6.160 4.932 ( 2.504 -4.947 0.000) 5.545 5.095 ( 4.186 -2.215 0.000) 4.736 5.136 ( -4.703 5.044 0.000) 6.896 5.292 ( 6.267 3.726 0.000) 7.292 5.294 ( -5.203 1.446 0.000) 5.400 5.435 ( -1.184 7.375 0.000) 7.470 5.728 ( -22.563 7.748 0.000) 23.856 5.855 ( -11.658 6.200 0.000) 13.204 6.135 ( -1.003 -1.252 0.000) 1.604 6.168 ( -2.333 2.791 0.000) 3.638 6.278 ( 0.497 -5.401 0.000) 5.424 6.328 ( 0.639 -3.406 0.000) 3.465 6.634 ( 6.258 0.938 0.000) 6.328 6.636 ( -0.062 3.185 0.000) 3.185 6.690 ( 16.569 1.368 0.000) 16.625 7.007 ( 9.598 -9.437 0.000) 13.461 7.210 ( 7.045 -7.413 0.000) 10.227 7.242 ( 0.631 -4.992 0.000) 5.032 7.345 ( 5.651 -6.146 0.000) 8.349 7.346 ( -10.125 -4.067 0.000) 10.911 7.422 ( -4.037 1.016 0.000) 4.163 7.497 ( 3.535 3.214 0.000) 4.778 7.498 ( 1.801 -0.987 0.000) 2.053 7.729 ( -2.908 5.900 0.000) 6.578 7.747 ( -3.673 -1.052 0.000) 3.821 7.872 ( 0.797 -5.253 0.000) 5.313 7.943 ( -12.961 -5.493 0.000) 14.077 8.040 ( -8.930 -5.128 0.000) 10.298 8.205 ( 1.157 -3.861 0.000) 4.031 8.312 ( -7.900 1.681 0.000) 8.077 8.458 ( 2.804 -8.807 0.000) 9.243 8.506 ( 0.423 -14.114 0.000) 14.120 8.620 ( 2.304 0.559 0.000) 2.370 8.743 ( -3.511 -6.049 0.000) 6.994 9.213 ( 4.273 19.242 0.000) 19.711 9.346 ( -2.569 5.596 0.000) 6.157 9.614 ( 6.640 -21.697 0.000) 22.690 9.728 ( 5.019 2.401 0.000) 5.564 9.982 ( -9.652 5.842 0.000) 11.283 9.989 ( -8.710 -7.979 0.000) 11.812 10.386 ( 9.218 1.679 0.000) 9.370 10.740 ( -8.419 5.055 0.000) 9.820 10.862 ( 11.019 7.997 0.000) 13.615 11.175 ( -5.946 10.114 0.000) 11.733 17.657 ( 12.960 -2.264 0.000) 13.156 17.978 ( 3.495 -12.640 0.000) 13.114 18.053 ( -0.819 -9.572 0.000) 9.607 18.190 ( -13.490 -4.968 0.000) 14.376 18.448 ( 0.991 1.612 0.000) 1.892 18.513 ( -2.043 2.489 0.000) 3.220 18.923 ( 9.699 -2.312 0.000) 9.971 19.305 ( -8.734 -0.895 0.000) 8.780 19.580 ( -2.547 20.635 0.000) 20.792 19.623 ( -3.740 17.247 0.000) 17.648 21.545 ( 1.649 -4.783 0.000) 5.059 21.600 ( -1.324 -6.613 0.000) 6.745 ======================= Grid point 13 (10/75) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -5.559 1.407 0.000) 5.735 1.661 ( 5.559 1.407 0.000) 5.735 1.911 ( -3.564 25.167 0.000) 25.418 1.911 ( 3.564 25.167 0.000) 25.418 2.296 ( -12.426 -2.897 0.000) 12.759 2.296 ( 12.426 -2.897 0.000) 12.759 2.577 ( -3.261 -3.284 0.000) 4.628 2.577 ( 3.261 -3.284 0.000) 4.628 2.782 ( -0.780 0.251 0.000) 0.819 2.782 ( 0.780 0.251 0.000) 0.819 3.125 ( -7.579 11.597 0.000) 13.854 3.125 ( 7.579 11.597 0.000) 13.854 3.401 ( -2.954 12.188 0.000) 12.541 3.401 ( 2.954 12.188 0.000) 12.541 3.657 ( -21.721 -12.446 0.000) 25.034 3.657 ( 21.721 -12.446 0.000) 25.034 3.783 ( -19.712 6.131 0.000) 20.643 3.783 ( 19.712 6.131 0.000) 20.643 4.020 ( -12.309 -4.589 0.000) 13.137 4.020 ( 12.309 -4.589 0.000) 13.137 4.146 ( -2.816 -5.357 0.000) 6.052 4.146 ( 2.816 -5.357 0.000) 6.052 4.277 ( -14.627 1.851 0.000) 14.744 4.277 ( 14.627 1.851 0.000) 14.744 4.432 ( -19.999 11.889 0.000) 23.266 4.432 ( 19.999 11.889 0.000) 23.266 4.843 ( -4.558 11.654 0.000) 12.514 4.843 ( 4.558 11.654 0.000) 12.514 4.983 ( -7.629 2.902 0.000) 8.162 4.983 ( 7.629 2.902 0.000) 8.162 5.200 ( -6.608 -2.644 0.000) 7.117 5.200 ( 6.608 -2.644 0.000) 7.117 5.396 ( -9.091 1.437 0.000) 9.204 5.396 ( 9.091 1.437 0.000) 9.204 5.607 ( -13.437 6.702 0.000) 15.016 5.607 ( 13.437 6.702 0.000) 15.016 6.131 ( -0.852 -1.267 0.000) 1.527 6.131 ( 0.852 -1.267 0.000) 1.527 6.311 ( -1.821 -2.439 0.000) 3.044 6.311 ( 1.821 -2.439 0.000) 3.044 6.644 ( -0.508 2.080 0.000) 2.141 6.644 ( 0.508 2.080 0.000) 2.141 7.062 ( -15.608 -5.793 0.000) 16.648 7.062 ( 15.608 -5.793 0.000) 16.648 7.181 ( -4.164 -6.707 0.000) 7.895 7.181 ( 4.164 -6.707 0.000) 7.895 7.334 ( -4.523 1.173 0.000) 4.673 7.334 ( 4.523 1.173 0.000) 4.673 7.476 ( -5.870 -4.447 0.000) 7.364 7.476 ( 5.870 -4.447 0.000) 7.364 7.642 ( -9.971 -1.046 0.000) 10.026 7.642 ( 9.971 -1.046 0.000) 10.026 7.711 ( -3.600 3.844 0.000) 5.266 7.711 ( 3.600 3.844 0.000) 5.266 7.918 ( -4.002 -5.790 0.000) 7.038 7.918 ( 4.002 -5.790 0.000) 7.038 8.229 ( -1.878 -4.157 0.000) 4.562 8.229 ( 1.878 -4.157 0.000) 4.562 8.500 ( -1.229 -12.708 0.000) 12.767 8.500 ( 1.229 -12.708 0.000) 12.767 8.679 ( -3.324 -0.993 0.000) 3.469 8.679 ( 3.324 -0.993 0.000) 3.469 9.284 ( -3.509 12.388 0.000) 12.876 9.284 ( 3.509 12.388 0.000) 12.876 9.781 ( -9.980 -13.618 0.000) 16.883 9.781 ( 9.980 -13.618 0.000) 16.883 9.847 ( -7.099 2.894 0.000) 7.666 9.847 ( 7.099 2.894 0.000) 7.666 10.567 ( -9.395 3.312 0.000) 9.962 10.567 ( 9.395 3.312 0.000) 9.962 11.043 ( -7.976 8.588 0.000) 11.720 11.043 ( 7.976 8.588 0.000) 11.720 17.917 ( -13.555 -3.693 0.000) 14.049 17.917 ( 13.555 -3.693 0.000) 14.049 18.032 ( -1.205 -10.664 0.000) 10.731 18.032 ( 1.205 -10.664 0.000) 10.731 18.476 ( -1.784 2.074 0.000) 2.736 18.476 ( 1.784 2.074 0.000) 2.736 19.118 ( -10.289 -2.850 0.000) 10.676 19.118 ( 10.289 -2.850 0.000) 10.676 19.572 ( -1.342 19.402 0.000) 19.449 19.572 ( 1.342 19.402 0.000) 19.449 21.573 ( -1.415 -5.624 0.000) 5.799 21.573 ( 1.415 -5.624 0.000) 5.799 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 29.573 0.000) 29.573 1.292 ( 0.000 25.272 0.000) 25.272 1.514 ( 0.000 1.832 0.000) 1.832 1.905 ( 0.000 -1.181 0.000) 1.181 2.034 ( 0.000 5.124 0.000) 5.124 2.295 ( 0.000 49.891 0.000) 49.891 2.376 ( 0.000 21.379 0.000) 21.379 2.696 ( 0.000 4.477 0.000) 4.477 2.746 ( 0.000 12.612 0.000) 12.612 2.891 ( 0.000 -1.493 0.000) 1.493 2.941 ( 0.000 0.479 0.000) 0.479 3.167 ( 0.000 0.290 0.000) 0.290 3.234 ( 0.000 18.323 0.000) 18.323 3.311 ( 0.000 -2.979 0.000) 2.979 3.352 ( 0.000 -7.806 0.000) 7.806 3.522 ( 0.000 0.433 0.000) 0.433 3.557 ( 0.000 3.810 0.000) 3.810 3.837 ( 0.000 -1.089 0.000) 1.089 3.883 ( 0.000 17.882 0.000) 17.882 3.901 ( 0.000 1.505 0.000) 1.505 3.911 ( 0.000 -10.480 0.000) 10.480 4.076 ( 0.000 7.639 0.000) 7.639 4.164 ( 0.000 2.261 0.000) 2.261 4.517 ( 0.000 1.407 0.000) 1.407 4.542 ( 0.000 -5.154 0.000) 5.154 4.611 ( 0.000 -8.897 0.000) 8.897 4.784 ( 0.000 -9.993 0.000) 9.993 4.844 ( 0.000 -3.182 0.000) 3.182 5.194 ( 0.000 -1.075 0.000) 1.075 5.265 ( 0.000 21.536 0.000) 21.536 5.291 ( 0.000 1.404 0.000) 1.404 5.308 ( 0.000 -5.576 0.000) 5.576 5.583 ( 0.000 -7.479 0.000) 7.479 5.628 ( 0.000 -13.527 0.000) 13.527 5.806 ( 0.000 -8.013 0.000) 8.013 5.898 ( 0.000 10.272 0.000) 10.272 5.966 ( 0.000 6.292 0.000) 6.292 6.019 ( 0.000 -4.409 0.000) 4.409 6.240 ( 0.000 -16.857 0.000) 16.857 6.466 ( 0.000 6.648 0.000) 6.648 6.510 ( 0.000 -6.855 0.000) 6.855 6.525 ( 0.000 9.047 0.000) 9.047 6.619 ( 0.000 13.916 0.000) 13.916 6.792 ( 0.000 10.555 0.000) 10.555 6.953 ( 0.000 -7.039 0.000) 7.039 7.155 ( 0.000 2.321 0.000) 2.321 7.186 ( 0.000 -1.748 0.000) 1.748 7.252 ( 0.000 7.083 0.000) 7.083 7.462 ( 0.000 0.741 0.000) 0.741 7.608 ( 0.000 -3.921 0.000) 3.921 7.692 ( 0.000 8.724 0.000) 8.724 7.783 ( 0.000 -0.198 0.000) 0.198 7.874 ( 0.000 3.045 0.000) 3.045 7.963 ( 0.000 -1.917 0.000) 1.917 8.020 ( 0.000 -9.670 0.000) 9.670 8.191 ( 0.000 3.434 0.000) 3.434 8.289 ( 0.000 -24.716 0.000) 24.716 8.354 ( 0.000 0.062 0.000) 0.062 8.415 ( 0.000 -24.449 0.000) 24.449 8.552 ( 0.000 5.169 0.000) 5.169 8.614 ( 0.000 -1.209 0.000) 1.209 8.710 ( 0.000 -13.223 0.000) 13.223 9.011 ( 0.000 -9.090 0.000) 9.090 9.035 ( 0.000 3.428 0.000) 3.428 9.636 ( 0.000 3.607 0.000) 3.607 9.779 ( 0.000 3.795 0.000) 3.795 10.007 ( 0.000 -3.383 0.000) 3.383 10.234 ( 0.000 4.388 0.000) 4.388 10.483 ( 0.000 12.826 0.000) 12.826 10.958 ( 0.000 4.465 0.000) 4.465 11.078 ( 0.000 7.074 0.000) 7.074 11.593 ( 0.000 -2.115 0.000) 2.115 17.260 ( 0.000 2.596 0.000) 2.596 17.433 ( 0.000 6.740 0.000) 6.740 17.868 ( 0.000 -11.049 0.000) 11.049 18.444 ( 0.000 -15.246 0.000) 15.246 18.500 ( 0.000 0.079 0.000) 0.079 18.531 ( 0.000 -0.481 0.000) 0.481 18.683 ( 0.000 6.362 0.000) 6.362 19.524 ( 0.000 -10.573 0.000) 10.573 20.191 ( 0.000 19.683 0.000) 19.683 20.508 ( 0.000 14.481 0.000) 14.481 21.360 ( 0.000 -6.104 0.000) 6.104 21.379 ( 0.000 -5.105 0.000) 5.105 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 9.183 21.262 0.000) 23.161 1.390 ( 11.499 24.388 0.000) 26.963 1.541 ( 1.256 6.232 0.000) 6.357 1.902 ( 4.537 -4.646 0.000) 6.494 2.015 ( -2.086 4.220 0.000) 4.707 2.340 ( -1.680 23.372 0.000) 23.432 2.531 ( 13.855 33.418 0.000) 36.176 2.741 ( 7.288 11.081 0.000) 13.263 2.808 ( 0.071 -0.285 0.000) 0.294 2.916 ( 6.269 6.524 0.000) 9.047 2.982 ( 0.471 3.395 0.000) 3.427 3.062 ( -0.499 8.650 0.000) 8.664 3.117 ( -3.992 17.084 0.000) 17.544 3.242 ( -4.902 0.038 0.000) 4.903 3.510 ( 3.141 1.563 0.000) 3.509 3.597 ( 9.461 -2.198 0.000) 9.713 3.608 ( 6.718 -2.203 0.000) 7.070 3.771 ( -6.833 9.628 0.000) 11.806 3.874 ( 3.441 -7.054 0.000) 7.848 3.936 ( 1.590 -2.036 0.000) 2.583 3.988 ( 4.631 13.987 0.000) 14.734 4.068 ( -0.773 5.789 0.000) 5.840 4.232 ( 6.992 1.819 0.000) 7.225 4.499 ( -4.298 -4.891 0.000) 6.512 4.602 ( 5.974 1.157 0.000) 6.085 4.652 ( 4.908 -8.165 0.000) 9.526 4.706 ( -5.775 -9.608 0.000) 11.210 4.876 ( 0.972 -3.543 0.000) 3.674 5.072 ( -11.530 12.757 0.000) 17.196 5.165 ( -3.383 -2.729 0.000) 4.346 5.272 ( -4.309 -0.316 0.000) 4.321 5.279 ( -4.807 4.067 0.000) 6.297 5.555 ( -3.932 -11.843 0.000) 12.479 5.663 ( 6.044 -5.083 0.000) 7.898 5.887 ( 6.136 -8.079 0.000) 10.145 5.937 ( 0.139 2.997 0.000) 3.000 6.081 ( 14.005 11.299 0.000) 17.995 6.085 ( 5.539 -3.923 0.000) 6.787 6.339 ( -9.879 7.670 0.000) 12.507 6.379 ( 11.126 -20.773 0.000) 23.564 6.523 ( 1.467 -5.461 0.000) 5.655 6.532 ( -1.529 5.713 0.000) 5.914 6.587 ( -2.499 13.143 0.000) 13.378 6.745 ( -4.386 8.707 0.000) 9.749 6.980 ( 2.547 -7.722 0.000) 8.131 7.130 ( -8.254 4.904 0.000) 9.601 7.165 ( 1.420 2.244 0.000) 2.656 7.265 ( 3.062 0.652 0.000) 3.131 7.465 ( 0.685 1.155 0.000) 1.343 7.599 ( -2.852 -4.841 0.000) 5.619 7.680 ( -1.690 7.802 0.000) 7.983 7.758 ( -1.046 0.823 0.000) 1.331 7.862 ( -1.051 1.049 0.000) 1.485 7.953 ( -1.903 -1.532 0.000) 2.443 8.020 ( -0.248 -9.066 0.000) 9.069 8.163 ( -2.507 -0.052 0.000) 2.508 8.242 ( -2.768 -20.818 0.000) 21.001 8.251 ( -9.003 -2.610 0.000) 9.374 8.457 ( 3.690 -18.960 0.000) 19.315 8.507 ( -4.400 0.260 0.000) 4.408 8.594 ( -1.176 1.044 0.000) 1.573 8.716 ( -1.959 -9.453 0.000) 9.654 9.047 ( 2.871 -12.865 0.000) 13.182 9.082 ( 3.527 -1.101 0.000) 3.695 9.571 ( -7.845 9.291 0.000) 12.161 9.687 ( -0.775 3.855 0.000) 3.932 10.059 ( 4.746 -3.487 0.000) 5.889 10.434 ( 15.350 2.669 0.000) 15.581 10.440 ( -4.380 12.753 0.000) 13.484 10.810 ( -14.508 12.282 0.000) 19.008 11.026 ( -3.930 2.488 0.000) 4.652 11.548 ( -4.255 0.623 0.000) 4.300 17.301 ( 4.273 1.844 0.000) 4.654 17.521 ( 7.598 1.735 0.000) 7.793 17.865 ( -0.301 -10.959 0.000) 10.963 18.392 ( -5.292 -14.061 0.000) 15.024 18.475 ( -0.959 0.921 0.000) 1.330 18.594 ( 4.903 -1.410 0.000) 5.102 18.671 ( -1.250 6.193 0.000) 6.318 19.481 ( -4.347 -9.876 0.000) 10.791 20.162 ( -2.786 20.203 0.000) 20.394 20.387 ( -10.145 20.452 0.000) 22.830 21.371 ( 0.954 -6.599 0.000) 6.668 21.409 ( 2.071 -7.727 0.000) 7.999 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 2.767 2.230 0.000) 3.554 1.658 ( 14.326 12.681 0.000) 19.132 1.678 ( 19.813 16.338 0.000) 25.681 1.962 ( -2.556 5.146 0.000) 5.746 2.042 ( 7.503 -10.564 0.000) 12.957 2.352 ( 2.884 23.598 0.000) 23.773 2.688 ( 5.274 15.194 0.000) 16.083 2.743 ( -4.744 -2.710 0.000) 5.463 2.802 ( -3.050 14.999 0.000) 15.307 2.952 ( 3.246 3.163 0.000) 4.533 2.989 ( -3.765 -0.765 0.000) 3.842 3.186 ( 8.129 12.528 0.000) 14.934 3.251 ( 8.356 5.444 0.000) 9.973 3.324 ( 13.070 17.093 0.000) 21.517 3.605 ( 16.796 11.189 0.000) 20.182 3.628 ( -6.074 3.738 0.000) 7.132 3.734 ( 4.119 3.745 0.000) 5.567 3.829 ( 11.923 -1.568 0.000) 12.025 3.899 ( 0.631 -5.594 0.000) 5.629 3.989 ( -5.430 10.391 0.000) 11.724 4.003 ( 4.596 2.150 0.000) 5.074 4.112 ( 4.074 6.237 0.000) 7.449 4.366 ( 2.657 7.503 0.000) 7.959 4.404 ( -4.195 0.069 0.000) 4.196 4.564 ( -8.688 -9.177 0.000) 12.637 4.679 ( 5.394 4.931 0.000) 7.308 4.808 ( 8.233 -3.228 0.000) 8.844 4.882 ( -0.125 -2.973 0.000) 2.976 4.928 ( -0.993 1.016 0.000) 1.420 5.046 ( -8.554 -0.929 0.000) 8.604 5.170 ( -5.079 2.930 0.000) 5.864 5.217 ( 0.902 1.109 0.000) 1.429 5.501 ( -2.937 -1.553 0.000) 3.322 5.712 ( -2.532 4.335 0.000) 5.020 5.956 ( 2.150 -5.051 0.000) 5.489 5.991 ( 2.051 -8.438 0.000) 8.684 6.094 ( -6.495 2.358 0.000) 6.910 6.246 ( 3.437 0.137 0.000) 3.440 6.388 ( 16.278 6.333 0.000) 17.467 6.426 ( -10.387 8.601 0.000) 13.486 6.476 ( -1.637 6.514 0.000) 6.716 6.563 ( 2.520 -6.378 0.000) 6.857 6.668 ( -2.318 0.938 0.000) 2.501 6.670 ( 12.275 -14.676 0.000) 19.133 6.900 ( -13.530 3.915 0.000) 14.085 7.029 ( 1.920 -9.745 0.000) 9.932 7.224 ( 4.805 2.199 0.000) 5.284 7.341 ( 3.543 -1.907 0.000) 4.024 7.459 ( -3.259 0.258 0.000) 3.269 7.509 ( -3.062 -2.083 0.000) 3.703 7.616 ( -4.641 4.405 0.000) 6.398 7.749 ( -1.401 -0.941 0.000) 1.688 7.836 ( -2.252 -2.812 0.000) 3.602 7.887 ( -3.266 2.012 0.000) 3.836 8.001 ( -1.875 -7.038 0.000) 7.283 8.054 ( -11.407 -7.622 0.000) 13.719 8.118 ( -1.894 -3.775 0.000) 4.223 8.228 ( 0.993 -13.955 0.000) 13.991 8.380 ( -7.136 -2.052 0.000) 7.425 8.538 ( 4.316 -11.716 0.000) 12.485 8.594 ( -8.242 -4.245 0.000) 9.271 8.603 ( -0.526 3.896 0.000) 3.931 9.084 ( 0.426 -18.979 0.000) 18.984 9.088 ( -2.755 -18.656 0.000) 18.858 9.545 ( 6.166 22.002 0.000) 22.850 9.724 ( 3.847 4.558 0.000) 5.965 10.184 ( 8.109 -3.657 0.000) 8.896 10.321 ( -7.770 12.771 0.000) 14.949 10.499 ( -16.047 17.562 0.000) 23.789 10.724 ( 14.069 1.295 0.000) 14.128 10.927 ( -6.666 0.183 0.000) 6.668 11.444 ( -6.297 2.226 0.000) 6.679 17.420 ( 7.997 -0.163 0.000) 7.999 17.666 ( 6.665 -4.358 0.000) 7.963 17.857 ( -0.538 -10.649 0.000) 10.663 18.249 ( -9.259 -11.384 0.000) 14.673 18.471 ( 0.575 1.955 0.000) 2.038 18.637 ( -2.222 5.689 0.000) 6.107 18.708 ( 6.929 -2.689 0.000) 7.433 19.366 ( -7.378 -8.490 0.000) 11.248 20.099 ( -3.435 21.393 0.000) 21.667 20.200 ( -8.293 25.088 0.000) 26.423 21.391 ( 0.984 -7.697 0.000) 7.760 21.433 ( 0.335 -9.581 0.000) 9.587 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.216 3.730 0.000) 5.629 1.789 ( -2.172 2.321 0.000) 3.179 2.029 ( 9.842 4.585 0.000) 10.857 2.069 ( 13.998 0.829 0.000) 14.023 2.199 ( 13.120 -1.568 0.000) 13.213 2.432 ( 4.800 21.957 0.000) 22.476 2.656 ( -3.971 1.060 0.000) 4.110 2.684 ( -5.970 6.282 0.000) 8.666 2.761 ( 0.296 10.856 0.000) 10.860 2.856 ( -7.935 0.216 0.000) 7.938 3.108 ( 10.682 6.205 0.000) 12.354 3.322 ( 4.403 4.902 0.000) 6.589 3.393 ( 0.483 -0.960 0.000) 1.075 3.513 ( 13.349 11.271 0.000) 17.471 3.576 ( 3.825 6.917 0.000) 7.904 3.760 ( -5.650 -11.813 0.000) 13.095 3.835 ( -5.242 16.244 0.000) 17.068 3.850 ( 1.868 2.631 0.000) 3.227 3.981 ( -0.581 -5.553 0.000) 5.583 4.030 ( 13.003 -0.366 0.000) 13.008 4.084 ( -6.321 1.161 0.000) 6.427 4.269 ( 22.513 16.318 0.000) 27.805 4.282 ( -4.604 20.624 0.000) 21.132 4.308 ( -7.554 7.645 0.000) 10.747 4.468 ( -2.886 -1.568 0.000) 3.285 4.846 ( 8.627 1.354 0.000) 8.733 4.855 ( -3.332 0.314 0.000) 3.347 4.884 ( -6.056 10.752 0.000) 12.340 4.953 ( 9.811 4.264 0.000) 10.698 5.028 ( 9.250 -2.481 0.000) 9.577 5.115 ( 0.050 -4.491 0.000) 4.492 5.354 ( 11.776 0.785 0.000) 11.802 5.415 ( -5.672 7.707 0.000) 9.569 5.595 ( -7.266 8.438 0.000) 11.135 5.874 ( -12.087 -1.407 0.000) 12.168 5.974 ( -12.920 7.777 0.000) 15.080 5.988 ( 0.850 -7.570 0.000) 7.617 6.131 ( -12.696 1.580 0.000) 12.794 6.346 ( 3.672 6.011 0.000) 7.044 6.439 ( -1.652 8.757 0.000) 8.911 6.609 ( 2.828 -3.321 0.000) 4.362 6.660 ( 0.298 -3.330 0.000) 3.343 6.676 ( 11.148 -5.578 0.000) 12.466 6.726 ( -2.210 -12.666 0.000) 12.858 6.947 ( 15.837 -16.940 0.000) 23.190 7.049 ( 1.233 -8.295 0.000) 8.386 7.286 ( -7.710 -2.255 0.000) 8.033 7.336 ( 5.991 2.932 0.000) 6.670 7.442 ( -2.686 0.771 0.000) 2.794 7.482 ( 1.353 -0.738 0.000) 1.541 7.546 ( -1.046 -0.083 0.000) 1.049 7.672 ( -6.213 -5.449 0.000) 8.264 7.763 ( -4.643 -2.677 0.000) 5.359 7.809 ( -12.523 -6.037 0.000) 13.902 7.866 ( 0.343 3.804 0.000) 3.819 7.952 ( -3.178 -4.371 0.000) 5.404 8.106 ( 1.244 -3.322 0.000) 3.547 8.258 ( 1.764 -10.754 0.000) 10.898 8.295 ( -1.546 -6.068 0.000) 6.262 8.372 ( -11.774 3.953 0.000) 12.420 8.610 ( 2.861 -6.687 0.000) 7.273 8.627 ( 1.097 -2.907 0.000) 3.107 9.040 ( -1.552 -23.064 0.000) 23.117 9.065 ( -1.978 -23.577 0.000) 23.659 9.725 ( 11.041 22.791 0.000) 25.325 9.831 ( 7.312 6.613 0.000) 9.859 10.149 ( -9.963 14.768 0.000) 17.815 10.220 ( -12.940 16.310 0.000) 20.819 10.364 ( 10.312 -3.199 0.000) 10.797 10.769 ( -9.546 -0.994 0.000) 9.598 10.966 ( 11.164 0.867 0.000) 11.197 11.312 ( -7.399 1.801 0.000) 7.615 17.601 ( 10.654 -2.833 0.000) 11.024 17.766 ( 3.793 -7.382 0.000) 8.299 17.844 ( -0.908 -10.038 0.000) 10.079 18.047 ( -11.442 -8.489 0.000) 14.247 18.495 ( 1.794 2.992 0.000) 3.489 18.589 ( -2.689 4.924 0.000) 5.610 18.857 ( 8.488 -4.104 0.000) 9.428 19.207 ( -8.974 -7.083 0.000) 11.433 20.044 ( -1.947 22.723 0.000) 22.807 20.079 ( -4.286 25.217 0.000) 25.579 21.406 ( 0.650 -8.766 0.000) 8.790 21.429 ( -0.540 -9.832 0.000) 9.846 ======================= Grid point 22 (15/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -4.860 3.215 0.000) 5.827 1.708 ( 4.860 3.215 0.000) 5.827 2.157 ( -1.499 -5.368 0.000) 5.573 2.157 ( 1.499 -5.368 0.000) 5.573 2.484 ( -6.880 20.176 0.000) 21.316 2.484 ( 6.880 20.176 0.000) 21.316 2.577 ( -0.723 4.310 0.000) 4.370 2.577 ( 0.723 4.310 0.000) 4.370 2.759 ( -0.750 -0.736 0.000) 1.051 2.759 ( 0.750 -0.736 0.000) 1.051 3.299 ( -7.912 5.574 0.000) 9.678 3.299 ( 7.912 5.574 0.000) 9.678 3.467 ( -12.456 -6.415 0.000) 14.011 3.467 ( 12.456 -6.415 0.000) 14.011 3.715 ( -2.471 12.073 0.000) 12.324 3.715 ( 2.471 12.073 0.000) 12.324 3.861 ( -4.355 -9.419 0.000) 10.377 3.861 ( 4.355 -9.419 0.000) 10.377 3.943 ( -5.022 8.250 0.000) 9.658 3.943 ( 5.022 8.250 0.000) 9.658 4.206 ( -1.372 17.738 0.000) 17.791 4.206 ( 1.372 17.738 0.000) 17.791 4.288 ( -13.517 -0.374 0.000) 13.522 4.288 ( 13.517 -0.374 0.000) 13.522 4.666 ( -14.303 10.201 0.000) 17.568 4.666 ( 14.303 10.201 0.000) 17.568 4.908 ( -2.067 1.157 0.000) 2.369 4.908 ( 2.067 1.157 0.000) 2.369 5.104 ( -4.531 -4.502 0.000) 6.387 5.104 ( 4.531 -4.502 0.000) 6.387 5.328 ( -7.646 19.595 0.000) 21.034 5.328 ( 7.646 19.595 0.000) 21.034 5.476 ( -16.427 6.596 0.000) 17.702 5.476 ( 16.427 6.596 0.000) 17.702 5.696 ( -14.831 1.930 0.000) 14.956 5.696 ( 14.831 1.930 0.000) 14.956 6.009 ( -2.283 -6.469 0.000) 6.860 6.009 ( 2.283 -6.469 0.000) 6.860 6.404 ( -2.232 7.046 0.000) 7.391 6.404 ( 2.232 7.046 0.000) 7.391 6.644 ( -1.239 -0.908 0.000) 1.536 6.644 ( 1.239 -0.908 0.000) 1.536 6.766 ( -1.897 -21.816 0.000) 21.898 6.766 ( 1.897 -21.816 0.000) 21.898 7.124 ( -8.168 0.502 0.000) 8.184 7.124 ( 8.168 0.502 0.000) 8.184 7.270 ( -14.764 -10.997 0.000) 18.410 7.270 ( 14.764 -10.997 0.000) 18.410 7.435 ( -5.086 2.183 0.000) 5.535 7.435 ( 5.086 2.183 0.000) 5.535 7.602 ( -4.974 -4.637 0.000) 6.801 7.602 ( 4.974 -4.637 0.000) 6.801 7.676 ( -2.536 -1.123 0.000) 2.774 7.676 ( 2.536 -1.123 0.000) 2.774 7.894 ( -2.492 -0.513 0.000) 2.544 7.894 ( 2.492 -0.513 0.000) 2.544 8.184 ( -7.082 1.642 0.000) 7.269 8.184 ( 7.082 1.642 0.000) 7.269 8.283 ( -0.673 -8.418 0.000) 8.445 8.283 ( 0.673 -8.418 0.000) 8.445 8.639 ( -0.163 -4.673 0.000) 4.676 8.639 ( 0.163 -4.673 0.000) 4.676 9.033 ( -0.811 -24.559 0.000) 24.572 9.033 ( 0.811 -24.559 0.000) 24.572 9.943 ( -11.317 20.526 0.000) 23.439 9.943 ( 11.317 20.526 0.000) 23.439 10.000 ( -10.087 9.927 0.000) 14.152 10.000 ( 10.087 9.927 0.000) 14.152 10.570 ( -10.870 -2.166 0.000) 11.084 10.570 ( 10.870 -2.166 0.000) 11.084 11.157 ( -8.847 1.130 0.000) 8.919 11.157 ( 8.847 1.130 0.000) 8.919 17.815 ( -3.222 -7.139 0.000) 7.832 17.815 ( 3.222 -7.138 0.000) 7.832 17.823 ( -6.800 -7.534 0.000) 10.149 17.823 ( 6.800 -7.534 0.000) 10.149 18.537 ( -2.538 4.000 0.000) 4.737 18.537 ( 2.538 4.000 0.000) 4.737 19.029 ( -9.280 -5.606 0.000) 10.842 19.029 ( 9.280 -5.606 0.000) 10.842 20.032 ( -0.799 24.044 0.000) 24.058 20.032 ( 0.799 24.044 0.000) 24.058 21.417 ( -0.586 -9.495 0.000) 9.513 21.417 ( 0.586 -9.495 0.000) 9.513 ======================= Grid point 27 (16/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 1.803 0.000) 1.803 1.568 ( 0.000 3.111 0.000) 3.111 1.814 ( 0.000 22.431 0.000) 22.431 2.094 ( 0.000 2.364 0.000) 2.364 2.123 ( 0.000 20.903 0.000) 20.903 2.746 ( 0.000 13.441 0.000) 13.441 2.754 ( 0.000 2.887 0.000) 2.887 2.797 ( 0.000 -0.197 0.000) 0.197 2.845 ( 0.000 -8.275 0.000) 8.275 3.024 ( 0.000 -0.633 0.000) 0.633 3.060 ( 0.000 7.336 0.000) 7.336 3.263 ( 0.000 7.512 0.000) 7.512 3.279 ( 0.000 3.992 0.000) 3.992 3.325 ( 0.000 24.052 0.000) 24.052 3.339 ( 0.000 -15.981 0.000) 15.981 3.488 ( 0.000 5.117 0.000) 5.117 3.635 ( 0.000 3.130 0.000) 3.130 3.747 ( 0.000 -4.090 0.000) 4.090 3.774 ( 0.000 -10.977 0.000) 10.977 3.828 ( 0.000 0.425 0.000) 0.425 4.252 ( 0.000 5.621 0.000) 5.621 4.262 ( 0.000 18.092 0.000) 18.092 4.304 ( 0.000 9.884 0.000) 9.884 4.472 ( 0.000 -4.489 0.000) 4.489 4.477 ( 0.000 -2.074 0.000) 2.074 4.615 ( 0.000 -5.847 0.000) 5.847 4.703 ( 0.000 16.804 0.000) 16.804 4.826 ( 0.000 1.737 0.000) 1.737 5.139 ( 0.000 -8.381 0.000) 8.381 5.153 ( 0.000 -4.817 0.000) 4.817 5.219 ( 0.000 -22.688 0.000) 22.688 5.403 ( 0.000 8.873 0.000) 8.873 5.413 ( 0.000 -6.086 0.000) 6.086 5.627 ( 0.000 -8.474 0.000) 8.474 5.720 ( 0.000 3.959 0.000) 3.959 5.770 ( 0.000 -17.541 0.000) 17.541 6.029 ( 0.000 7.848 0.000) 7.848 6.069 ( 0.000 9.104 0.000) 9.104 6.162 ( 0.000 9.862 0.000) 9.862 6.410 ( 0.000 -4.463 0.000) 4.463 6.691 ( 0.000 14.986 0.000) 14.986 6.759 ( 0.000 12.277 0.000) 12.277 6.830 ( 0.000 -3.588 0.000) 3.588 6.891 ( 0.000 13.483 0.000) 13.483 6.977 ( 0.000 5.802 0.000) 5.802 7.184 ( 0.000 -0.218 0.000) 0.218 7.190 ( 0.000 -1.989 0.000) 1.989 7.361 ( 0.000 3.409 0.000) 3.409 7.467 ( 0.000 0.250 0.000) 0.250 7.497 ( 0.000 -6.959 0.000) 6.959 7.668 ( 0.000 -15.360 0.000) 15.360 7.753 ( 0.000 -15.378 0.000) 15.378 7.759 ( 0.000 -16.222 0.000) 16.222 7.777 ( 0.000 1.207 0.000) 1.207 7.787 ( 0.000 -14.281 0.000) 14.281 8.020 ( 0.000 5.363 0.000) 5.363 8.109 ( 0.000 -3.939 0.000) 3.939 8.129 ( 0.000 -14.536 0.000) 14.536 8.307 ( 0.000 8.754 0.000) 8.754 8.598 ( 0.000 2.073 0.000) 2.073 8.618 ( 0.000 0.907 0.000) 0.907 8.781 ( 0.000 9.900 0.000) 9.900 8.795 ( 0.000 -11.924 0.000) 11.924 9.058 ( 0.000 -1.685 0.000) 1.685 9.732 ( 0.000 5.177 0.000) 5.177 9.897 ( 0.000 8.259 0.000) 8.259 9.927 ( 0.000 -4.413 0.000) 4.413 10.236 ( 0.000 -4.023 0.000) 4.023 10.715 ( 0.000 9.891 0.000) 9.891 10.966 ( 0.000 -2.284 0.000) 2.284 11.262 ( 0.000 9.135 0.000) 9.135 11.531 ( 0.000 -4.081 0.000) 4.081 17.335 ( 0.000 4.991 0.000) 4.991 17.604 ( 0.000 10.130 0.000) 10.130 17.649 ( 0.000 -10.205 0.000) 10.205 18.130 ( 0.000 -15.182 0.000) 15.182 18.503 ( 0.000 0.242 0.000) 0.242 18.520 ( 0.000 -0.542 0.000) 0.542 18.843 ( 0.000 9.248 0.000) 9.248 19.291 ( 0.000 -11.992 0.000) 11.992 20.591 ( 0.000 18.969 0.000) 18.969 20.798 ( 0.000 13.669 0.000) 13.669 21.195 ( 0.000 -10.298 0.000) 10.298 21.246 ( 0.000 -8.070 0.000) 8.070 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 1.623 3.637 0.000) 3.983 1.698 ( 9.004 -2.447 0.000) 9.331 1.836 ( 2.105 17.983 0.000) 18.106 2.065 ( -3.740 22.767 0.000) 23.072 2.086 ( -0.863 2.994 0.000) 3.116 2.714 ( 0.358 -0.271 0.000) 0.450 2.725 ( -1.317 13.172 0.000) 13.238 2.785 ( -1.385 1.980 0.000) 2.417 2.916 ( 2.364 -4.370 0.000) 4.969 3.033 ( -2.757 0.656 0.000) 2.834 3.117 ( 2.517 -1.046 0.000) 2.726 3.266 ( 11.237 12.358 0.000) 16.703 3.286 ( 1.153 0.668 0.000) 1.333 3.393 ( 4.328 -8.621 0.000) 9.647 3.454 ( -0.210 6.379 0.000) 6.382 3.580 ( 16.720 16.390 0.000) 23.414 3.598 ( -1.791 1.197 0.000) 2.155 3.771 ( 3.010 -0.294 0.000) 3.024 3.806 ( 2.615 -6.922 0.000) 7.400 3.930 ( 7.403 1.444 0.000) 7.543 4.234 ( -1.336 11.776 0.000) 11.851 4.302 ( 5.999 4.820 0.000) 7.695 4.345 ( 3.041 13.852 0.000) 14.182 4.531 ( 5.616 -3.521 0.000) 6.629 4.545 ( -7.253 -2.135 0.000) 7.561 4.550 ( 7.939 -2.441 0.000) 8.305 4.643 ( -4.597 12.912 0.000) 13.706 4.840 ( 0.086 0.724 0.000) 0.729 5.076 ( -3.936 -6.977 0.000) 8.010 5.177 ( -3.148 -9.670 0.000) 10.169 5.191 ( 2.165 -8.149 0.000) 8.432 5.379 ( -1.274 -1.667 0.000) 2.098 5.407 ( -1.464 6.725 0.000) 6.883 5.684 ( 4.755 -10.457 0.000) 11.487 5.716 ( -0.400 8.536 0.000) 8.545 5.877 ( 9.170 -14.287 0.000) 16.977 5.965 ( -0.608 -7.583 0.000) 7.608 6.078 ( 0.540 8.029 0.000) 8.047 6.295 ( 8.424 5.408 0.000) 10.011 6.426 ( 1.474 -5.119 0.000) 5.327 6.570 ( -12.560 13.268 0.000) 18.270 6.729 ( -1.722 13.200 0.000) 13.312 6.824 ( -0.159 3.600 0.000) 3.603 6.879 ( -9.557 2.519 0.000) 9.883 6.902 ( 0.653 8.848 0.000) 8.872 7.182 ( -2.565 -0.036 0.000) 2.566 7.197 ( 1.326 -1.760 0.000) 2.204 7.326 ( -1.595 4.451 0.000) 4.728 7.482 ( -1.485 -4.383 0.000) 4.628 7.499 ( 2.118 -0.206 0.000) 2.128 7.696 ( 0.937 -18.640 0.000) 18.663 7.725 ( -5.589 -12.960 0.000) 14.114 7.730 ( -0.608 -8.038 0.000) 8.061 7.740 ( -2.410 -3.764 0.000) 4.470 7.780 ( 1.182 -10.545 0.000) 10.611 8.047 ( 2.252 3.196 0.000) 3.910 8.085 ( -4.742 -12.207 0.000) 13.095 8.137 ( 1.900 -1.017 0.000) 2.155 8.315 ( 1.243 4.738 0.000) 4.898 8.507 ( -8.831 3.302 0.000) 9.428 8.606 ( -2.763 0.052 0.000) 2.764 8.726 ( -2.730 5.759 0.000) 6.373 8.783 ( -1.612 -13.237 0.000) 13.335 9.003 ( -7.092 -5.819 0.000) 9.173 9.758 ( 2.547 5.281 0.000) 5.863 9.865 ( 1.834 14.163 0.000) 14.281 9.978 ( 4.095 -3.362 0.000) 5.298 10.395 ( 12.825 -6.441 0.000) 14.352 10.675 ( -4.108 10.167 0.000) 10.965 10.926 ( -4.270 -0.964 0.000) 4.378 11.157 ( -9.651 10.152 0.000) 14.007 11.496 ( -3.822 -5.088 0.000) 6.364 17.361 ( 2.664 4.216 0.000) 4.987 17.626 ( 1.990 8.031 0.000) 8.274 17.650 ( 0.174 -9.850 0.000) 9.851 18.099 ( -3.220 -14.226 0.000) 14.586 18.498 ( 0.314 1.322 0.000) 1.359 18.562 ( 3.469 -1.682 0.000) 3.855 18.826 ( -1.740 8.967 0.000) 9.134 19.259 ( -3.265 -11.525 0.000) 11.979 20.572 ( -1.805 19.457 0.000) 19.540 20.749 ( -4.620 15.684 0.000) 16.350 21.196 ( -0.006 -10.782 0.000) 10.782 21.243 ( -0.395 -9.106 0.000) 9.115 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 4.871 3.538 0.000) 6.020 1.849 ( 5.402 -8.334 0.000) 9.932 1.876 ( 1.300 8.921 0.000) 9.015 2.064 ( -1.111 2.786 0.000) 2.999 2.079 ( 7.230 21.460 0.000) 22.645 2.716 ( 0.380 12.057 0.000) 12.063 2.757 ( -0.971 5.754 0.000) 5.835 2.772 ( 3.773 -3.558 0.000) 5.186 2.918 ( -1.108 1.131 0.000) 1.584 2.958 ( -4.786 -2.361 0.000) 5.337 3.169 ( 3.544 8.852 0.000) 9.536 3.329 ( 3.103 -9.385 0.000) 9.885 3.401 ( 1.957 6.539 0.000) 6.826 3.447 ( 0.218 1.088 0.000) 1.110 3.546 ( 5.957 3.266 0.000) 6.794 3.637 ( 6.294 -3.947 0.000) 7.430 3.805 ( 5.659 -3.337 0.000) 6.569 3.820 ( -3.388 -4.161 0.000) 5.366 3.938 ( 11.542 11.719 0.000) 16.449 4.129 ( 16.929 8.758 0.000) 19.060 4.225 ( -0.248 8.417 0.000) 8.420 4.343 ( -6.125 18.040 0.000) 19.051 4.433 ( 0.432 -1.326 0.000) 1.395 4.491 ( 12.938 4.609 0.000) 13.734 4.588 ( -0.538 11.940 0.000) 11.952 4.697 ( 12.009 -2.374 0.000) 12.241 4.774 ( 14.962 2.845 0.000) 15.230 4.820 ( -1.290 -2.101 0.000) 2.465 4.999 ( -3.100 -2.432 0.000) 3.941 5.138 ( -0.767 8.608 0.000) 8.642 5.214 ( -2.149 -2.883 0.000) 3.595 5.304 ( -7.270 11.179 0.000) 13.335 5.405 ( 4.906 -5.246 0.000) 7.183 5.724 ( 0.236 2.689 0.000) 2.699 5.793 ( 5.774 -8.024 0.000) 9.885 5.999 ( 1.264 -4.772 0.000) 4.937 6.042 ( 5.646 -9.690 0.000) 11.215 6.140 ( 8.485 -9.649 0.000) 12.849 6.283 ( -14.367 7.545 0.000) 16.228 6.399 ( 1.254 -9.823 0.000) 9.902 6.457 ( 1.915 -6.226 0.000) 6.514 6.614 ( -14.813 0.014 0.000) 14.813 6.700 ( -4.267 10.086 0.000) 10.952 6.823 ( -0.764 14.492 0.000) 14.512 6.930 ( 3.620 2.905 0.000) 4.641 7.044 ( -11.359 8.827 0.000) 14.386 7.263 ( 5.607 -0.070 0.000) 5.607 7.287 ( -5.022 -4.364 0.000) 6.653 7.452 ( 1.352 1.568 0.000) 2.070 7.544 ( 1.399 3.541 0.000) 3.807 7.584 ( -7.532 -10.178 0.000) 12.662 7.660 ( -6.888 -7.787 0.000) 10.396 7.676 ( -0.542 -8.728 0.000) 8.745 7.809 ( 5.972 -9.759 0.000) 11.441 7.810 ( 2.021 -10.389 0.000) 10.584 7.945 ( -9.374 -5.881 0.000) 11.066 8.083 ( -0.207 2.487 0.000) 2.496 8.143 ( 0.062 5.435 0.000) 5.436 8.315 ( -9.704 -1.375 0.000) 9.801 8.376 ( 4.992 -4.264 0.000) 6.565 8.496 ( -7.757 -4.967 0.000) 9.211 8.677 ( -5.110 3.297 0.000) 6.081 8.722 ( -4.687 -16.091 0.000) 16.760 8.837 ( -6.829 -6.644 0.000) 9.528 9.833 ( 5.677 6.065 0.000) 8.307 9.990 ( 9.585 20.328 0.000) 22.474 10.091 ( 7.683 -4.577 0.000) 8.943 10.561 ( -7.563 10.584 0.000) 13.008 10.649 ( 12.841 -8.628 0.000) 15.470 10.797 ( -9.032 6.174 0.000) 10.941 10.946 ( -11.377 6.646 0.000) 13.176 11.388 ( -7.029 -6.949 0.000) 9.884 17.437 ( 5.221 2.071 0.000) 5.617 17.657 ( 0.494 -8.752 0.000) 8.766 17.665 ( 1.748 3.678 0.000) 4.072 18.009 ( -6.094 -11.690 0.000) 13.183 18.519 ( 1.892 2.726 0.000) 3.318 18.647 ( 5.318 -3.254 0.000) 6.235 18.778 ( -3.103 8.180 0.000) 8.748 19.170 ( -5.793 -10.295 0.000) 11.813 20.531 ( -2.203 20.482 0.000) 20.600 20.645 ( -5.573 18.967 0.000) 19.769 21.194 ( -0.193 -11.807 0.000) 11.808 21.228 ( -1.058 -10.883 0.000) 10.934 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 4.788 4.064 0.000) 6.280 1.860 ( -2.897 4.611 0.000) 5.445 1.935 ( 4.542 -7.955 0.000) 9.161 2.051 ( -0.592 -2.408 0.000) 2.480 2.317 ( 15.670 10.288 0.000) 18.745 2.722 ( -0.045 9.163 0.000) 9.163 2.772 ( 2.400 8.163 0.000) 8.509 2.799 ( -0.784 -3.339 0.000) 3.430 2.852 ( -6.434 -0.785 0.000) 6.482 2.888 ( -2.224 7.553 0.000) 7.873 3.263 ( 5.827 5.265 0.000) 7.853 3.376 ( -1.195 -13.832 0.000) 13.883 3.391 ( -2.147 2.727 0.000) 3.471 3.431 ( 1.960 1.344 0.000) 2.376 3.630 ( -1.335 -9.512 0.000) 9.605 3.647 ( -12.109 -4.049 0.000) 12.768 3.756 ( 10.702 7.240 0.000) 12.920 3.979 ( 10.875 -2.961 0.000) 11.271 4.095 ( 8.049 11.633 0.000) 14.146 4.188 ( -5.949 7.490 0.000) 9.564 4.244 ( -3.548 19.220 0.000) 19.545 4.438 ( -2.249 -0.976 0.000) 2.452 4.504 ( 18.185 2.873 0.000) 18.411 4.601 ( 1.854 18.682 0.000) 18.774 4.750 ( 11.740 13.003 0.000) 17.519 4.826 ( 2.560 -1.653 0.000) 3.047 4.909 ( 5.490 -0.335 0.000) 5.500 4.992 ( -2.742 15.174 0.000) 15.420 4.998 ( 2.086 -3.514 0.000) 4.087 5.103 ( -7.972 5.343 0.000) 9.597 5.192 ( 17.400 14.165 0.000) 22.436 5.345 ( 14.451 0.246 0.000) 14.453 5.516 ( 4.195 -1.173 0.000) 4.356 5.697 ( -1.850 2.975 0.000) 3.504 5.807 ( -7.915 -0.727 0.000) 7.948 5.984 ( -2.160 5.999 0.000) 6.376 6.003 ( -1.507 -1.825 0.000) 2.367 6.149 ( -8.230 -6.928 0.000) 10.757 6.300 ( -1.380 -25.290 0.000) 25.327 6.357 ( -7.317 -12.511 0.000) 14.494 6.471 ( 8.385 -12.744 0.000) 15.255 6.489 ( 7.601 -9.683 0.000) 12.310 6.542 ( -13.601 14.945 0.000) 20.208 6.800 ( -0.363 9.136 0.000) 9.143 6.823 ( -7.506 12.097 0.000) 14.236 7.035 ( 5.863 3.750 0.000) 6.959 7.173 ( -5.865 -10.066 0.000) 11.650 7.393 ( -16.529 -9.138 0.000) 18.887 7.401 ( 8.362 1.542 0.000) 8.503 7.472 ( -3.286 -5.653 0.000) 6.539 7.508 ( -1.287 4.304 0.000) 4.492 7.591 ( 4.120 1.776 0.000) 4.486 7.691 ( 1.649 -3.620 0.000) 3.978 7.762 ( -9.074 -1.204 0.000) 9.154 7.845 ( 0.818 -5.194 0.000) 5.258 7.925 ( 3.714 -1.257 0.000) 3.921 8.005 ( -3.718 -3.613 0.000) 5.184 8.174 ( -4.524 -5.633 0.000) 7.225 8.203 ( 4.975 5.464 0.000) 7.390 8.359 ( -5.030 -15.032 0.000) 15.851 8.457 ( 0.971 -9.053 0.000) 9.105 8.519 ( -9.256 4.933 0.000) 10.489 8.633 ( -2.148 -16.372 0.000) 16.512 8.760 ( -3.287 -6.108 0.000) 6.937 9.980 ( 9.449 7.800 0.000) 12.253 10.190 ( 10.698 22.174 0.000) 24.620 10.271 ( 10.882 -5.766 0.000) 12.315 10.390 ( -10.149 10.307 0.000) 14.465 10.600 ( -10.845 15.603 0.000) 19.001 10.727 ( -11.639 -0.482 0.000) 11.649 10.878 ( 10.940 -9.461 0.000) 14.463 11.239 ( -8.286 -8.516 0.000) 11.882 17.558 ( 7.311 -1.018 0.000) 7.381 17.669 ( 0.782 -6.848 0.000) 6.893 17.686 ( 0.397 -0.589 0.000) 0.710 17.871 ( -7.983 -8.273 0.000) 11.496 18.568 ( 3.127 4.185 0.000) 5.224 18.711 ( -3.828 7.024 0.000) 7.999 18.763 ( 6.738 -4.975 0.000) 8.376 19.044 ( -7.201 -8.630 0.000) 11.240 20.498 ( -0.975 21.318 0.000) 21.340 20.551 ( -3.908 20.931 0.000) 21.293 21.190 ( -0.129 -12.627 0.000) 12.627 21.207 ( -1.048 -12.201 0.000) 12.246 ======================= Grid point 31 (20/75) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -4.365 4.333 0.000) 6.150 1.786 ( 4.365 4.333 0.000) 6.150 2.016 ( -3.299 -7.230 0.000) 7.947 2.016 ( 3.299 -7.230 0.000) 7.947 2.617 ( -13.387 2.752 0.000) 13.667 2.617 ( 13.387 2.752 0.000) 13.667 2.776 ( -0.714 3.894 0.000) 3.959 2.776 ( 0.714 3.894 0.000) 3.959 2.832 ( -3.291 8.406 0.000) 9.027 2.832 ( 3.291 8.406 0.000) 9.027 3.336 ( -0.917 -4.799 0.000) 4.886 3.336 ( 0.917 -4.799 0.000) 4.886 3.417 ( -6.737 2.092 0.000) 7.054 3.417 ( 6.737 2.092 0.000) 7.054 3.549 ( -4.659 -10.018 0.000) 11.048 3.549 ( 4.659 -10.018 0.000) 11.048 3.999 ( -12.373 8.516 0.000) 15.021 3.999 ( 12.373 8.516 0.000) 15.021 4.152 ( -6.885 8.064 0.000) 10.604 4.152 ( 6.885 8.064 0.000) 10.604 4.293 ( -11.153 5.520 0.000) 12.445 4.293 ( 11.153 5.520 0.000) 12.445 4.693 ( -4.281 17.158 0.000) 17.684 4.693 ( 4.281 17.158 0.000) 17.684 4.867 ( -8.525 14.830 0.000) 17.106 4.867 ( 8.525 14.830 0.000) 17.106 4.906 ( -1.997 -1.261 0.000) 2.362 4.906 ( 1.997 -1.261 0.000) 2.362 5.031 ( -4.742 0.222 0.000) 4.748 5.031 ( 4.742 0.222 0.000) 4.748 5.520 ( -3.755 -0.842 0.000) 3.848 5.520 ( 3.755 -0.842 0.000) 3.848 5.590 ( -14.575 0.628 0.000) 14.589 5.590 ( 14.575 0.628 0.000) 14.589 5.878 ( -18.480 17.607 0.000) 25.525 5.878 ( 18.480 17.607 0.000) 25.525 5.960 ( -3.529 -0.340 0.000) 3.546 5.960 ( 3.529 -0.340 0.000) 3.546 6.236 ( -0.881 -23.732 0.000) 23.748 6.236 ( 0.881 -23.732 0.000) 23.748 6.453 ( -1.969 -3.890 0.000) 4.360 6.453 ( 1.969 -3.890 0.000) 4.360 6.741 ( -4.245 9.351 0.000) 10.270 6.741 ( 4.245 9.351 0.000) 10.270 6.949 ( -18.809 -17.613 0.000) 25.768 6.949 ( 18.809 -17.613 0.000) 25.768 7.134 ( -5.633 -1.534 0.000) 5.838 7.134 ( 5.633 -1.534 0.000) 5.838 7.466 ( -2.059 0.225 0.000) 2.071 7.466 ( 2.059 0.225 0.000) 2.071 7.571 ( -8.765 2.284 0.000) 9.058 7.571 ( 8.765 2.284 0.000) 9.058 7.701 ( -2.259 1.835 0.000) 2.911 7.701 ( 2.259 1.835 0.000) 2.911 7.859 ( -2.944 0.486 0.000) 2.984 7.859 ( 2.944 0.486 0.000) 2.984 8.086 ( -5.935 -8.767 0.000) 10.587 8.086 ( 5.935 -8.767 0.000) 10.587 8.310 ( -4.463 -0.979 0.000) 4.569 8.310 ( 4.463 -0.979 0.000) 4.569 8.403 ( -1.391 -10.451 0.000) 10.543 8.403 ( 1.391 -10.451 0.000) 10.543 8.681 ( -4.646 -9.038 0.000) 10.162 8.681 ( 4.646 -9.038 0.000) 10.162 10.182 ( -11.112 9.275 0.000) 14.474 10.182 ( 11.112 9.275 0.000) 14.474 10.394 ( -10.561 20.249 0.000) 22.837 10.394 ( 10.561 20.249 0.000) 22.837 10.496 ( -12.202 -4.063 0.000) 12.860 10.496 ( 12.202 -4.063 0.000) 12.860 11.071 ( -9.290 -9.365 0.000) 13.191 11.071 ( 9.290 -9.365 0.000) 13.191 17.683 ( -0.654 -4.133 0.000) 4.184 17.683 ( 0.654 -4.133 0.000) 4.184 17.712 ( -8.313 -4.574 0.000) 9.488 17.712 ( 8.313 -4.574 0.000) 9.488 18.636 ( -3.820 5.649 0.000) 6.820 18.636 ( 3.820 5.649 0.000) 6.820 18.901 ( -7.457 -6.799 0.000) 10.092 18.901 ( 7.457 -6.799 0.000) 10.092 20.501 ( -1.340 21.559 0.000) 21.601 20.501 ( 1.340 21.559 0.000) 21.601 21.192 ( -0.426 -12.798 0.000) 12.805 21.192 ( 0.426 -12.798 0.000) 12.805 ======================= Grid point 36 (21/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 -0.719 0.000) 0.719 1.579 ( 0.000 0.719 0.000) 0.719 2.096 ( 0.000 -4.692 0.000) 4.692 2.096 ( 0.000 4.692 0.000) 4.692 2.554 ( 0.000 -19.192 0.000) 19.192 2.554 ( 0.000 19.192 0.000) 19.192 2.860 ( 0.000 -7.915 0.000) 7.915 2.860 ( 0.000 7.915 0.000) 7.915 2.879 ( 0.000 -4.063 0.000) 4.063 2.879 ( 0.000 4.063 0.000) 4.063 3.067 ( 0.000 -2.931 0.000) 2.931 3.067 ( 0.000 2.931 0.000) 2.931 3.416 ( 0.000 -6.463 0.000) 6.463 3.416 ( 0.000 6.463 0.000) 6.463 3.515 ( 0.000 -14.087 0.000) 14.087 3.515 ( 0.000 14.087 0.000) 14.087 3.663 ( 0.000 -0.839 0.000) 0.839 3.663 ( 0.000 0.839 0.000) 0.839 3.811 ( 0.000 -5.352 0.000) 5.352 3.811 ( 0.000 5.352 0.000) 5.352 4.367 ( 0.000 -5.443 0.000) 5.443 4.367 ( 0.000 5.443 0.000) 5.443 4.433 ( 0.000 -2.914 0.000) 2.914 4.433 ( 0.000 2.914 0.000) 2.914 4.688 ( 0.000 -24.013 0.000) 24.013 4.688 ( 0.000 24.013 0.000) 24.013 4.694 ( 0.000 -13.368 0.000) 13.368 4.694 ( 0.000 13.368 0.000) 13.368 4.985 ( 0.000 -10.112 0.000) 10.112 4.985 ( 0.000 10.112 0.000) 10.112 5.267 ( 0.000 -15.974 0.000) 15.974 5.267 ( 0.000 15.974 0.000) 15.974 5.510 ( 0.000 -0.090 0.000) 0.090 5.510 ( 0.000 0.090 0.000) 0.090 5.593 ( 0.000 -9.018 0.000) 9.018 5.593 ( 0.000 9.018 0.000) 9.018 6.234 ( 0.000 -2.052 0.000) 2.052 6.234 ( 0.000 2.052 0.000) 2.052 6.306 ( 0.000 -4.689 0.000) 4.689 6.306 ( 0.000 4.689 0.000) 4.689 6.940 ( 0.000 -16.022 0.000) 16.022 6.940 ( 0.000 16.022 0.000) 16.022 6.959 ( 0.000 -4.800 0.000) 4.800 6.959 ( 0.000 4.800 0.000) 4.800 7.038 ( 0.000 -14.078 0.000) 14.078 7.038 ( 0.000 14.078 0.000) 14.078 7.224 ( 0.000 -20.157 0.000) 20.157 7.224 ( 0.000 20.157 0.000) 20.157 7.399 ( 0.000 -0.952 0.000) 0.952 7.399 ( 0.000 0.952 0.000) 0.952 7.515 ( 0.000 -6.688 0.000) 6.688 7.515 ( 0.000 6.688 0.000) 6.688 7.651 ( 0.000 -3.896 0.000) 3.896 7.651 ( 0.000 3.896 0.000) 3.896 7.885 ( 0.000 -9.255 0.000) 9.255 7.885 ( 0.000 9.255 0.000) 9.255 8.077 ( 0.000 -1.126 0.000) 1.126 8.077 ( 0.000 1.126 0.000) 1.126 8.539 ( 0.000 -12.891 0.000) 12.891 8.539 ( 0.000 12.891 0.000) 12.891 8.626 ( 0.000 -0.415 0.000) 0.415 8.626 ( 0.000 0.415 0.000) 0.415 8.963 ( 0.000 -7.331 0.000) 7.331 8.963 ( 0.000 7.331 0.000) 7.331 9.833 ( 0.000 -4.810 0.000) 4.810 9.833 ( 0.000 4.810 0.000) 4.810 10.091 ( 0.000 -9.518 0.000) 9.518 10.091 ( 0.000 9.518 0.000) 9.518 10.879 ( 0.000 -6.235 0.000) 6.235 10.879 ( 0.000 6.235 0.000) 6.235 11.423 ( 0.000 -6.631 0.000) 6.631 11.423 ( 0.000 6.631 0.000) 6.631 17.465 ( 0.000 -7.808 0.000) 7.808 17.465 ( 0.000 7.808 0.000) 7.808 17.841 ( 0.000 -13.135 0.000) 13.135 17.841 ( 0.000 13.135 0.000) 13.135 18.510 ( 0.000 -0.430 0.000) 0.430 18.510 ( 0.000 0.430 0.000) 0.430 19.052 ( 0.000 -11.277 0.000) 11.277 19.052 ( 0.000 11.277 0.000) 11.277 20.939 ( 0.000 -15.043 0.000) 15.043 20.939 ( 0.000 15.043 0.000) 15.043 21.051 ( 0.000 -11.138 0.000) 11.138 21.051 ( 0.000 11.138 0.000) 11.138 ======================= Grid point 38 (22/75) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 3.633 -4.362 0.000) 5.676 1.616 ( 3.633 4.362 0.000) 5.676 2.075 ( -1.962 -5.600 0.000) 5.934 2.075 ( -1.962 5.600 0.000) 5.934 2.512 ( -2.484 -18.617 0.000) 18.782 2.512 ( -2.484 18.617 0.000) 18.782 2.883 ( 0.145 -4.247 0.000) 4.249 2.883 ( 0.145 4.247 0.000) 4.249 2.965 ( 8.032 -8.499 0.000) 11.694 2.965 ( 8.032 8.499 0.000) 11.694 3.035 ( -2.445 -8.574 0.000) 8.916 3.035 ( -2.445 8.574 0.000) 8.916 3.430 ( 2.150 -5.997 0.000) 6.371 3.430 ( 2.150 5.997 0.000) 6.371 3.583 ( 5.432 -13.288 0.000) 14.356 3.583 ( 5.432 13.288 0.000) 14.356 3.660 ( 1.354 -3.284 0.000) 3.552 3.660 ( 1.354 3.284 0.000) 3.552 3.935 ( 9.799 -4.389 0.000) 10.738 3.935 ( 9.799 4.389 0.000) 10.738 4.402 ( -2.764 -5.033 0.000) 5.742 4.402 ( -2.764 5.033 0.000) 5.742 4.417 ( 5.491 -6.125 0.000) 8.226 4.417 ( 5.491 6.125 0.000) 8.226 4.703 ( 0.052 -12.326 0.000) 12.326 4.703 ( 0.052 12.326 0.000) 12.326 4.774 ( 9.273 -22.524 0.000) 24.358 4.774 ( 9.273 22.524 0.000) 24.358 4.909 ( -4.602 -6.651 0.000) 8.088 4.909 ( -4.602 6.651 0.000) 8.088 5.253 ( -1.506 -13.088 0.000) 13.175 5.253 ( -1.506 13.088 0.000) 13.175 5.589 ( -0.222 -10.198 0.000) 10.201 5.589 ( -0.222 10.198 0.000) 10.201 5.628 ( 9.945 -7.585 0.000) 12.508 5.628 ( 9.945 7.585 0.000) 12.508 6.186 ( -6.090 -11.039 0.000) 12.607 6.186 ( -6.090 11.039 0.000) 12.607 6.290 ( 0.040 -5.807 0.000) 5.807 6.290 ( 0.040 5.807 0.000) 5.807 6.808 ( -13.813 -8.780 0.000) 16.368 6.808 ( -13.813 8.780 0.000) 16.368 6.989 ( 4.192 -14.252 0.000) 14.856 6.989 ( 4.192 14.252 0.000) 14.856 7.034 ( -1.337 -14.588 0.000) 14.649 7.034 ( -1.337 14.588 0.000) 14.649 7.230 ( 0.643 -20.370 0.000) 20.380 7.230 ( 0.643 20.370 0.000) 20.380 7.421 ( 2.174 -2.112 0.000) 3.031 7.421 ( 2.174 2.112 0.000) 3.031 7.521 ( -0.413 -6.363 0.000) 6.377 7.521 ( -0.413 6.363 0.000) 6.377 7.642 ( -0.446 -3.428 0.000) 3.457 7.642 ( -0.446 3.428 0.000) 3.457 7.858 ( -2.765 -9.287 0.000) 9.690 7.858 ( -2.765 9.287 0.000) 9.690 8.105 ( 2.783 -2.318 0.000) 3.622 8.105 ( 2.783 2.318 0.000) 3.622 8.516 ( -2.557 -12.678 0.000) 12.933 8.516 ( -2.557 12.678 0.000) 12.933 8.582 ( -5.808 -2.731 0.000) 6.418 8.582 ( -5.808 2.731 0.000) 6.418 8.865 ( -7.803 -7.380 0.000) 10.740 8.865 ( -7.803 7.380 0.000) 10.740 9.862 ( 3.186 -5.119 0.000) 6.029 9.862 ( 3.186 5.119 0.000) 6.029 10.187 ( 8.915 -13.483 0.000) 16.163 10.187 ( 8.915 13.483 0.000) 16.163 10.845 ( -3.593 -6.430 0.000) 7.366 10.845 ( -3.593 6.430 0.000) 7.366 11.355 ( -6.716 -8.637 0.000) 10.941 11.355 ( -6.716 8.637 0.000) 10.941 17.476 ( 1.200 -7.197 0.000) 7.297 17.476 ( 1.200 7.197 0.000) 7.297 17.831 ( -1.098 -11.926 0.000) 11.977 17.831 ( -1.098 11.926 0.000) 11.977 18.528 ( 1.859 -1.621 0.000) 2.466 18.528 ( 1.859 1.621 0.000) 2.466 19.029 ( -2.410 -10.910 0.000) 11.173 19.029 ( -2.410 10.910 0.000) 11.173 20.930 ( -0.904 -15.503 0.000) 15.529 20.930 ( -0.904 15.503 0.000) 15.529 21.030 ( -2.100 -12.098 0.000) 12.279 21.030 ( -2.100 12.098 0.000) 12.279 ======================= Grid point 40 (23/75) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 4.866 -6.147 0.000) 7.840 1.702 ( 4.866 6.147 0.000) 7.840 2.028 ( -2.892 -5.595 0.000) 6.298 2.028 ( -2.892 5.595 0.000) 6.298 2.500 ( 1.629 -18.856 0.000) 18.926 2.500 ( 1.629 18.856 0.000) 18.926 2.871 ( -1.718 -4.562 0.000) 4.874 2.871 ( -1.718 4.562 0.000) 4.874 3.008 ( 0.116 -14.941 0.000) 14.941 3.008 ( 0.116 14.941 0.000) 14.941 3.094 ( 4.658 -11.235 0.000) 12.162 3.094 ( 4.658 11.235 0.000) 12.162 3.491 ( 2.586 -4.200 0.000) 4.932 3.491 ( 2.586 4.200 0.000) 4.932 3.637 ( -1.528 -11.214 0.000) 11.318 3.637 ( -1.528 11.214 0.000) 11.318 3.723 ( 5.655 -5.167 0.000) 7.660 3.723 ( 5.655 5.167 0.000) 7.660 4.140 ( 11.438 -7.289 0.000) 13.563 4.140 ( 11.438 7.289 0.000) 13.563 4.368 ( -0.179 -5.308 0.000) 5.311 4.368 ( -0.179 5.308 0.000) 5.311 4.593 ( 12.866 -5.837 0.000) 14.128 4.593 ( 12.866 5.837 0.000) 14.128 4.658 ( -3.643 -8.674 0.000) 9.408 4.658 ( -3.643 8.674 0.000) 9.408 4.901 ( 2.843 -8.619 0.000) 9.075 4.901 ( 2.843 8.619 0.000) 9.075 5.029 ( 15.338 -15.074 0.000) 21.505 5.029 ( 15.338 15.074 0.000) 21.505 5.223 ( -0.656 -10.624 0.000) 10.645 5.223 ( -0.656 10.624 0.000) 10.645 5.608 ( 3.437 -16.683 0.000) 17.033 5.608 ( 3.437 16.683 0.000) 17.033 5.823 ( 9.235 -9.365 0.000) 13.153 5.823 ( 9.235 9.365 0.000) 13.153 6.019 ( -10.281 -19.271 0.000) 21.841 6.019 ( -10.281 19.271 0.000) 21.841 6.309 ( 1.405 -8.081 0.000) 8.202 6.309 ( 1.405 8.081 0.000) 8.202 6.476 ( -19.702 -9.709 0.000) 21.964 6.476 ( -19.702 9.709 0.000) 21.964 6.989 ( -3.168 -13.420 0.000) 13.789 6.989 ( -3.168 13.420 0.000) 13.789 7.049 ( 0.695 -2.579 0.000) 2.671 7.049 ( 0.695 2.579 0.000) 2.671 7.268 ( 4.175 -11.569 0.000) 12.299 7.268 ( 4.175 11.569 0.000) 12.299 7.386 ( -9.170 -13.195 0.000) 16.068 7.386 ( -9.170 13.195 0.000) 16.068 7.546 ( 5.251 -6.697 0.000) 8.510 7.546 ( 5.251 6.697 0.000) 8.510 7.658 ( 2.596 -4.861 0.000) 5.511 7.658 ( 2.596 4.861 0.000) 5.511 7.784 ( -4.617 -7.836 0.000) 9.095 7.784 ( -4.617 7.836 0.000) 9.095 8.172 ( 3.363 -3.856 0.000) 5.116 8.172 ( 3.363 3.856 0.000) 5.116 8.380 ( -13.502 -5.938 0.000) 14.750 8.380 ( -13.502 5.938 0.000) 14.750 8.442 ( -4.635 -10.856 0.000) 11.804 8.442 ( -4.635 10.856 0.000) 11.804 8.746 ( -4.803 -3.558 0.000) 5.977 8.746 ( -4.803 3.558 0.000) 5.977 9.961 ( 7.236 -6.407 0.000) 9.664 9.961 ( 7.236 6.407 0.000) 9.664 10.388 ( 11.135 -16.670 0.000) 20.047 10.388 ( 11.135 16.670 0.000) 20.047 10.741 ( -7.132 -6.931 0.000) 9.944 10.741 ( -7.132 6.931 0.000) 9.944 11.188 ( -10.006 -12.261 0.000) 15.826 11.188 ( -10.006 12.261 0.000) 15.826 17.512 ( 2.530 -5.422 0.000) 5.983 17.512 ( 2.530 5.422 0.000) 5.983 17.796 ( -2.572 -8.848 0.000) 9.214 17.796 ( -2.572 8.848 0.000) 9.214 18.580 ( 3.545 -3.223 0.000) 4.791 18.580 ( 3.545 3.223 0.000) 4.791 18.963 ( -4.310 -9.889 0.000) 10.787 18.963 ( -4.310 9.889 0.000) 10.787 20.908 ( -1.200 -16.446 0.000) 16.490 20.908 ( -1.200 16.446 0.000) 16.490 20.978 ( -2.997 -14.130 0.000) 14.444 20.978 ( -2.997 14.130 0.000) 14.444 ======================= Grid point 42 (24/75) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 4.793 -5.736 0.000) 7.475 1.795 ( 4.793 5.736 0.000) 7.475 1.965 ( -3.708 -5.283 0.000) 6.454 1.965 ( -3.708 5.283 0.000) 6.454 2.576 ( 6.012 -13.937 0.000) 15.179 2.576 ( 6.012 13.937 0.000) 15.179 2.816 ( -4.096 -2.564 0.000) 4.833 2.816 ( -4.096 2.564 0.000) 4.833 3.036 ( 2.550 -16.168 0.000) 16.368 3.036 ( 2.550 16.168 0.000) 16.368 3.133 ( -0.489 -13.102 0.000) 13.111 3.133 ( -0.489 13.102 0.000) 13.111 3.491 ( -1.849 -5.112 0.000) 5.436 3.491 ( -1.849 5.112 0.000) 5.436 3.543 ( -6.099 -5.951 0.000) 8.522 3.543 ( -6.099 5.951 0.000) 8.522 3.894 ( 11.644 -5.316 0.000) 12.800 3.894 ( 11.644 5.316 0.000) 12.800 4.322 ( -6.657 -5.251 0.000) 8.478 4.322 ( -6.657 5.251 0.000) 8.478 4.370 ( 12.113 -12.936 0.000) 17.722 4.370 ( 12.113 12.936 0.000) 17.722 4.637 ( 0.867 -12.568 0.000) 12.598 4.637 ( 0.867 12.568 0.000) 12.598 4.871 ( 13.352 -3.866 0.000) 13.900 4.871 ( 13.352 3.866 0.000) 13.900 4.939 ( 0.949 -5.088 0.000) 5.176 4.939 ( 0.949 5.088 0.000) 5.176 5.257 ( 8.341 -6.505 0.000) 10.578 5.257 ( 8.341 6.505 0.000) 10.578 5.278 ( 6.859 -16.704 0.000) 18.057 5.278 ( 6.859 16.704 0.000) 18.057 5.709 ( -2.913 -30.241 0.000) 30.381 5.709 ( -2.913 30.241 0.000) 30.381 5.902 ( -7.314 -8.247 0.000) 11.023 5.902 ( -7.314 8.247 0.000) 11.023 5.906 ( 8.830 -15.147 0.000) 17.533 5.906 ( 8.830 15.147 0.000) 17.533 6.141 ( -8.461 -8.198 0.000) 11.781 6.141 ( -8.461 8.198 0.000) 11.781 6.342 ( 2.808 -5.307 0.000) 6.004 6.342 ( 2.808 5.307 0.000) 6.004 6.886 ( -10.369 -16.266 0.000) 19.290 6.886 ( -10.370 16.266 0.000) 19.290 7.023 ( -2.144 -8.113 0.000) 8.392 7.023 ( -2.144 8.113 0.000) 8.392 7.126 ( -13.669 -14.983 0.000) 20.281 7.126 ( -13.669 14.983 0.000) 20.281 7.386 ( 7.280 -2.278 0.000) 7.628 7.386 ( 7.280 2.278 0.000) 7.628 7.632 ( -1.666 -6.182 0.000) 6.403 7.632 ( -1.666 6.182 0.000) 6.403 7.737 ( 4.195 -6.727 0.000) 7.928 7.737 ( 4.195 6.727 0.000) 7.928 7.741 ( 5.579 -8.330 0.000) 10.026 7.741 ( 5.579 8.330 0.000) 10.026 8.139 ( -10.522 -4.441 0.000) 11.421 8.139 ( -10.522 4.441 0.000) 11.421 8.161 ( -5.953 -10.688 0.000) 12.234 8.161 ( -5.953 10.688 0.000) 12.234 8.412 ( 3.277 -7.193 0.000) 7.904 8.412 ( 3.277 7.193 0.000) 7.904 8.647 ( -5.915 -6.062 0.000) 8.470 8.647 ( -5.915 6.062 0.000) 8.470 10.136 ( 10.678 -7.374 0.000) 12.977 10.136 ( 10.678 7.374 0.000) 12.977 10.573 ( -10.301 -7.519 0.000) 12.753 10.573 ( -10.301 7.519 0.000) 12.753 10.599 ( 10.679 -17.545 0.000) 20.539 10.599 ( 10.679 17.545 0.000) 20.539 10.991 ( -10.220 -15.347 0.000) 18.439 10.991 ( -10.220 15.347 0.000) 18.439 17.573 ( 3.759 -2.640 0.000) 4.593 17.573 ( 3.759 2.640 0.000) 4.593 17.733 ( -3.899 -4.923 0.000) 6.280 17.733 ( -3.899 4.923 0.000) 6.280 18.662 ( 4.846 -4.935 0.000) 6.917 18.662 ( 4.846 4.935 0.000) 6.917 18.869 ( -5.377 -8.412 0.000) 9.984 18.869 ( -5.377 8.412 0.000) 9.984 20.890 ( -0.548 -17.101 0.000) 17.109 20.890 ( -0.548 17.101 0.000) 17.109 20.924 ( -2.389 -15.963 0.000) 16.141 20.924 ( -2.389 15.963 0.000) 16.141 ======================= Grid point 44 (25/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -4.504 -5.583 0.000) 7.173 1.885 ( 4.504 -5.583 0.000) 7.173 1.885 ( -4.504 5.583 0.000) 7.173 1.885 ( 4.504 5.583 0.000) 7.173 2.708 ( -6.902 -5.905 0.000) 9.084 2.708 ( 6.902 -5.905 0.000) 9.084 2.708 ( -6.902 5.905 0.000) 9.084 2.708 ( 6.902 5.905 0.000) 9.084 3.094 ( -3.012 -14.795 0.000) 15.099 3.094 ( 3.012 -14.795 0.000) 15.099 3.094 ( -3.012 14.795 0.000) 15.099 3.094 ( 3.012 14.795 0.000) 15.099 3.470 ( -0.859 -2.040 0.000) 2.214 3.470 ( 0.859 -2.040 0.000) 2.214 3.470 ( -0.859 2.040 0.000) 2.214 3.470 ( 0.859 2.040 0.000) 2.214 4.132 ( -12.068 -4.868 0.000) 13.013 4.132 ( -12.068 4.868 0.000) 13.013 4.132 ( 12.068 -4.868 0.000) 13.013 4.132 ( 12.068 4.868 0.000) 13.013 4.575 ( -8.055 -15.142 0.000) 17.151 4.575 ( 8.055 -15.142 0.000) 17.151 4.575 ( -8.055 15.142 0.000) 17.151 4.575 ( 8.055 15.142 0.000) 17.151 4.977 ( -1.563 -4.236 0.000) 4.515 4.977 ( 1.563 -4.236 0.000) 4.515 4.977 ( -1.563 4.236 0.000) 4.515 4.977 ( 1.563 4.236 0.000) 4.515 5.415 ( -0.669 -18.681 0.000) 18.693 5.415 ( 0.669 -18.681 0.000) 18.693 5.415 ( -0.669 18.681 0.000) 18.693 5.415 ( 0.669 18.681 0.000) 18.693 5.620 ( -8.323 -11.987 0.000) 14.593 5.620 ( 8.323 -11.987 0.000) 14.593 5.620 ( -8.323 11.987 0.000) 14.593 5.620 ( 8.323 11.987 0.000) 14.593 6.115 ( -3.068 -4.616 0.000) 5.543 6.115 ( 3.068 -4.616 0.000) 5.543 6.115 ( -3.068 4.616 0.000) 5.543 6.115 ( 3.068 4.616 0.000) 5.543 6.538 ( -19.742 -15.844 0.000) 25.313 6.538 ( 19.742 -15.844 0.000) 25.313 6.538 ( -19.742 15.844 0.000) 25.313 6.538 ( 19.742 15.844 0.000) 25.313 7.005 ( -1.077 -10.570 0.000) 10.624 7.005 ( 1.077 -10.570 0.000) 10.624 7.005 ( -1.077 10.570 0.000) 10.625 7.005 ( 1.077 10.570 0.000) 10.625 7.526 ( -6.982 -5.050 0.000) 8.616 7.526 ( 6.982 -5.050 0.000) 8.616 7.526 ( -6.982 5.050 0.000) 8.616 7.526 ( 6.982 5.050 0.000) 8.616 7.830 ( -0.610 -9.086 0.000) 9.106 7.830 ( 0.610 -9.086 0.000) 9.106 7.830 ( -0.610 9.086 0.000) 9.106 7.830 ( 0.610 9.086 0.000) 9.106 8.033 ( -2.675 -9.552 0.000) 9.919 8.033 ( 2.675 -9.552 0.000) 9.920 8.033 ( -2.675 9.552 0.000) 9.920 8.033 ( 2.675 9.552 0.000) 9.920 8.521 ( -6.799 -8.031 0.000) 10.523 8.521 ( 6.799 -8.031 0.000) 10.523 8.521 ( -6.799 8.031 0.000) 10.523 8.521 ( 6.799 8.031 0.000) 10.523 10.356 ( -11.805 -7.734 0.000) 14.113 10.356 ( 11.805 -7.734 0.000) 14.113 10.356 ( -11.805 7.734 0.000) 14.113 10.356 ( 11.805 7.734 0.000) 14.113 10.797 ( -10.065 -17.084 0.000) 19.829 10.797 ( 10.065 -17.084 0.000) 19.829 10.797 ( -10.065 17.084 0.000) 19.829 10.797 ( 10.065 17.084 0.000) 19.829 17.652 ( -4.350 -0.952 0.000) 4.453 17.652 ( -4.350 0.952 0.000) 4.453 17.652 ( 4.350 -0.952 0.000) 4.453 17.652 ( 4.350 0.952 0.000) 4.453 18.762 ( -5.525 -6.702 0.000) 8.686 18.762 ( 5.525 -6.702 0.000) 8.686 18.762 ( -5.525 6.702 0.000) 8.686 18.762 ( 5.525 6.702 0.000) 8.686 20.892 ( -0.887 -16.991 0.000) 17.014 20.892 ( 0.887 -16.991 0.000) 17.014 20.892 ( -0.887 16.991 0.000) 17.014 20.892 ( 0.887 16.991 0.000) 17.014 ======================= Grid point 81 (26/75) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.000 0.000 29.283) 29.283 0.646 ( 0.000 0.000 32.234) 32.234 1.027 ( 0.000 0.000 50.672) 50.672 1.278 ( 0.000 0.000 -1.859) 1.859 1.415 ( 0.000 0.000 4.274) 4.274 1.643 ( 0.000 0.000 10.670) 10.670 2.173 ( 0.000 0.000 -1.404) 1.404 2.179 ( 0.000 0.000 2.097) 2.097 2.302 ( 0.000 0.000 -12.640) 12.640 2.488 ( 0.000 0.000 6.573) 6.573 2.740 ( 0.000 0.000 -3.301) 3.301 2.951 ( 0.000 0.000 -22.744) 22.744 3.305 ( 0.000 0.000 -1.391) 1.391 3.355 ( 0.000 0.000 -1.550) 1.550 3.468 ( 0.000 0.000 -0.515) 0.515 3.474 ( 0.000 0.000 -0.658) 0.658 3.506 ( 0.000 0.000 -3.236) 3.236 3.712 ( 0.000 0.000 1.115) 1.115 3.771 ( 0.000 0.000 -10.712) 10.712 3.956 ( 0.000 0.000 -11.481) 11.481 4.046 ( 0.000 0.000 22.994) 22.994 4.055 ( 0.000 0.000 0.240) 0.240 4.145 ( 0.000 0.000 -3.380) 3.380 4.340 ( 0.000 0.000 10.172) 10.172 4.772 ( 0.000 0.000 -7.818) 7.818 4.842 ( 0.000 0.000 -1.720) 1.720 4.879 ( 0.000 0.000 -0.213) 0.213 4.889 ( 0.000 0.000 -11.462) 11.462 5.153 ( 0.000 0.000 8.417) 8.417 5.247 ( 0.000 0.000 -6.683) 6.683 5.255 ( 0.000 0.000 -7.787) 7.787 5.422 ( 0.000 0.000 2.689) 2.689 5.661 ( 0.000 0.000 7.099) 7.099 5.717 ( 0.000 0.000 -1.425) 1.425 5.770 ( 0.000 0.000 1.372) 1.372 5.868 ( 0.000 0.000 -1.408) 1.408 6.028 ( 0.000 0.000 7.086) 7.086 6.052 ( 0.000 0.000 -2.540) 2.540 6.278 ( 0.000 0.000 6.631) 6.631 6.279 ( 0.000 0.000 -7.719) 7.719 6.282 ( 0.000 0.000 -6.349) 6.349 6.543 ( 0.000 0.000 -0.415) 0.415 6.693 ( 0.000 0.000 -15.866) 15.866 6.725 ( 0.000 0.000 4.454) 4.454 6.913 ( 0.000 0.000 -11.375) 11.375 7.278 ( 0.000 0.000 -7.655) 7.655 7.297 ( 0.000 0.000 13.476) 13.476 7.300 ( 0.000 0.000 12.121) 12.121 7.353 ( 0.000 0.000 13.057) 13.057 7.488 ( 0.000 0.000 6.858) 6.858 7.675 ( 0.000 0.000 2.227) 2.227 7.869 ( 0.000 0.000 -3.868) 3.868 7.886 ( 0.000 0.000 12.106) 12.106 8.033 ( 0.000 0.000 9.756) 9.756 8.059 ( 0.000 0.000 2.031) 2.031 8.107 ( 0.000 0.000 -1.270) 1.270 8.214 ( 0.000 0.000 -0.112) 0.112 8.614 ( 0.000 0.000 -11.699) 11.699 8.654 ( 0.000 0.000 1.758) 1.758 8.706 ( 0.000 0.000 -7.087) 7.087 8.778 ( 0.000 0.000 -1.236) 1.236 9.001 ( 0.000 0.000 -11.251) 11.251 9.106 ( 0.000 0.000 8.795) 8.795 9.184 ( 0.000 0.000 -2.688) 2.688 9.485 ( 0.000 0.000 3.054) 3.054 9.576 ( 0.000 0.000 -1.042) 1.042 9.617 ( 0.000 0.000 -7.124) 7.124 9.734 ( 0.000 0.000 -8.833) 8.833 10.252 ( 0.000 0.000 10.377) 10.377 10.660 ( 0.000 0.000 -2.581) 2.581 11.067 ( 0.000 0.000 6.629) 6.629 11.424 ( 0.000 0.000 -2.659) 2.659 17.223 ( 0.000 0.000 0.251) 0.251 17.285 ( 0.000 0.000 -1.190) 1.190 18.166 ( 0.000 0.000 0.035) 0.035 18.169 ( 0.000 0.000 -0.035) 0.035 18.545 ( 0.000 0.000 0.477) 0.477 18.550 ( 0.000 0.000 0.395) 0.395 18.903 ( 0.000 0.000 4.530) 4.530 19.467 ( 0.000 0.000 -12.644) 12.644 19.974 ( 0.000 0.000 11.748) 11.748 20.464 ( 0.000 0.000 -3.753) 3.753 21.480 ( 0.000 0.000 0.042) 0.042 21.484 ( 0.000 0.000 -0.051) 0.051 ======================= Grid point 82 (27/75) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 16.570 0.000 16.273) 23.225 0.885 ( 22.500 0.000 21.844) 31.360 1.327 ( 4.755 0.000 -2.012) 5.163 1.446 ( 27.805 0.000 27.343) 38.997 1.661 ( 24.169 0.000 5.486) 24.784 1.696 ( 11.987 0.000 15.671) 19.730 2.110 ( -4.131 0.000 4.048) 5.784 2.328 ( 15.211 0.000 -1.310) 15.267 2.407 ( 4.050 0.000 -10.516) 11.269 2.607 ( 14.463 0.000 2.027) 14.604 2.762 ( 1.563 0.000 -4.455) 4.721 2.989 ( 3.071 0.000 -18.618) 18.870 3.186 ( -17.909 0.000 10.466) 20.743 3.187 ( -7.525 0.000 -0.877) 7.576 3.301 ( -5.516 0.000 -3.238) 6.396 3.470 ( -1.647 0.000 1.798) 2.438 3.510 ( 2.927 0.000 0.095) 2.928 3.541 ( -5.964 0.000 1.812) 6.233 3.788 ( 2.241 0.000 -7.664) 7.985 3.920 ( -8.339 0.000 16.934) 18.876 4.052 ( 0.251 0.000 -0.216) 0.331 4.121 ( 4.212 0.000 -5.562) 6.977 4.179 ( 4.331 0.000 -10.275) 11.150 4.491 ( 10.008 0.000 8.140) 12.901 4.722 ( -2.558 0.000 -9.145) 9.496 4.791 ( -3.808 0.000 -7.711) 8.600 4.933 ( 5.804 0.000 0.967) 5.884 4.971 ( 3.949 0.000 -2.151) 4.497 5.017 ( -12.863 0.000 -6.052) 14.216 5.188 ( 2.984 0.000 9.928) 10.367 5.332 ( -1.616 0.000 -0.200) 1.628 5.379 ( -1.503 0.000 4.392) 4.642 5.610 ( -12.107 0.000 3.179) 12.518 5.703 ( 5.648 0.000 -1.508) 5.846 5.779 ( -8.223 0.000 -0.904) 8.272 5.982 ( 5.132 0.000 -6.344) 8.161 6.037 ( -0.285 0.000 -1.006) 1.046 6.143 ( -5.082 0.000 -2.247) 5.557 6.204 ( 5.317 0.000 2.441) 5.850 6.320 ( 7.563 0.000 -8.982) 11.742 6.393 ( 4.004 0.000 -2.624) 4.787 6.541 ( -0.653 0.000 -2.100) 2.199 6.649 ( -6.283 0.000 -12.082) 13.618 6.803 ( 8.155 0.000 8.580) 11.837 7.128 ( 10.447 0.000 -23.130) 25.379 7.198 ( -6.115 0.000 6.941) 9.250 7.275 ( 0.142 0.000 3.793) 3.795 7.296 ( -2.293 0.000 6.443) 6.839 7.345 ( 3.775 0.000 -0.072) 3.776 7.582 ( 4.048 0.000 7.884) 8.863 7.741 ( 4.171 0.000 3.551) 5.478 7.789 ( -5.539 0.000 9.739) 11.204 7.844 ( -2.536 0.000 -2.009) 3.236 8.041 ( -0.454 0.000 9.806) 9.816 8.072 ( 1.384 0.000 -0.343) 1.425 8.223 ( 0.791 0.000 -0.627) 1.010 8.237 ( 8.284 0.000 0.833) 8.325 8.459 ( -5.382 0.000 -1.859) 5.694 8.673 ( 1.949 0.000 1.998) 2.791 8.708 ( -11.454 0.000 -2.295) 11.682 8.799 ( 1.998 0.000 -1.146) 2.303 8.904 ( -6.022 0.000 -12.501) 13.876 9.062 ( -4.320 0.000 -7.113) 8.322 9.170 ( -8.612 0.000 -3.136) 9.165 9.537 ( 18.493 0.000 -10.148) 21.094 9.586 ( 1.097 0.000 -0.832) 1.377 9.739 ( 0.675 0.000 -8.232) 8.259 9.909 ( 15.933 0.000 -9.802) 18.706 10.220 ( -3.238 0.000 10.011) 10.522 10.615 ( -4.672 0.000 -2.508) 5.302 11.044 ( -1.669 0.000 11.772) 11.890 11.325 ( -5.617 0.000 8.050) 9.816 17.279 ( 6.091 0.000 0.551) 6.116 17.635 ( 22.186 0.000 -24.511) 33.061 18.166 ( 0.006 0.000 0.031) 0.031 18.168 ( -0.030 0.000 -0.031) 0.044 18.543 ( -0.592 0.000 0.421) 0.726 18.554 ( 1.134 0.000 0.100) 1.138 18.896 ( -1.224 0.000 4.637) 4.796 19.421 ( -4.762 0.000 -10.571) 11.594 19.843 ( -19.425 0.000 21.289) 28.819 19.971 ( -17.291 0.000 15.380) 23.141 21.504 ( 2.410 0.000 0.448) 2.451 21.646 ( 5.503 0.000 -6.443) 8.473 ======================= Grid point 83 (28/75) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 14.879 0.000 4.526) 15.552 1.385 ( 27.518 0.000 10.247) 29.364 1.436 ( 5.885 0.000 -3.383) 6.788 1.616 ( 2.432 0.000 10.843) 11.113 1.968 ( -4.427 0.000 4.948) 6.639 2.230 ( 31.373 0.000 4.947) 31.761 2.426 ( 24.684 0.000 6.692) 25.575 2.453 ( 19.807 0.000 6.055) 20.712 2.684 ( 15.219 0.000 -5.271) 16.106 2.752 ( 0.623 0.000 -1.703) 1.813 2.937 ( -8.890 0.000 5.258) 10.328 2.956 ( 14.874 0.000 -8.195) 16.982 3.045 ( 2.646 0.000 -3.946) 4.751 3.092 ( -2.833 0.000 -0.903) 2.973 3.209 ( -1.232 0.000 -1.391) 1.859 3.406 ( -3.587 0.000 1.421) 3.859 3.420 ( -2.110 0.000 2.241) 3.078 3.555 ( 0.862 0.000 0.336) 0.925 3.816 ( -0.635 0.000 5.791) 5.825 3.889 ( 7.709 0.000 -2.454) 8.090 4.071 ( 1.714 0.000 -0.538) 1.796 4.162 ( 1.493 0.000 -3.237) 3.565 4.277 ( 4.111 0.000 -6.792) 7.940 4.515 ( -10.468 0.000 -10.399) 14.755 4.666 ( -6.280 0.000 -6.818) 9.269 4.702 ( -3.222 0.000 -9.982) 10.489 4.877 ( -1.682 0.000 10.122) 10.261 5.021 ( 1.212 0.000 1.559) 1.975 5.059 ( 6.564 0.000 1.701) 6.781 5.195 ( -13.457 0.000 -1.809) 13.578 5.249 ( 2.154 0.000 14.590) 14.748 5.352 ( -1.164 0.000 3.819) 3.993 5.362 ( -9.127 0.000 7.961) 12.111 5.525 ( -13.092 0.000 1.511) 13.179 5.871 ( 2.214 0.000 -10.808) 11.032 5.953 ( -4.518 0.000 -2.859) 5.346 6.082 ( 0.589 0.000 -0.826) 1.014 6.116 ( 2.101 0.000 -0.604) 2.186 6.202 ( 0.883 0.000 3.217) 3.336 6.444 ( 2.737 0.000 -3.886) 4.753 6.457 ( 3.077 0.000 -6.850) 7.509 6.501 ( -4.660 0.000 -2.647) 5.360 6.525 ( -0.643 0.000 -3.332) 3.394 6.998 ( 10.864 0.000 10.344) 15.001 7.113 ( -2.864 0.000 -1.687) 3.324 7.213 ( 1.794 0.000 -16.648) 16.744 7.288 ( 1.137 0.000 3.607) 3.781 7.304 ( 1.384 0.000 -4.754) 4.952 7.421 ( 3.768 0.000 -2.156) 4.341 7.613 ( 0.376 0.000 8.795) 8.803 7.671 ( -5.190 0.000 10.972) 12.138 7.777 ( -4.313 0.000 0.658) 4.362 7.807 ( -0.395 0.000 2.587) 2.617 8.033 ( 0.687 0.000 9.994) 10.017 8.110 ( 2.468 0.000 -3.977) 4.681 8.238 ( 0.559 0.000 -2.265) 2.333 8.252 ( -7.316 0.000 0.848) 7.365 8.420 ( -11.110 0.000 -2.038) 11.296 8.517 ( 4.294 0.000 1.929) 4.708 8.684 ( -9.981 0.000 -0.558) 9.996 8.725 ( 3.368 0.000 2.513) 4.202 8.844 ( 2.270 0.000 -0.780) 2.400 8.938 ( -7.475 0.000 -2.731) 7.958 9.144 ( 0.396 0.000 -7.215) 7.226 9.621 ( 2.651 0.000 -0.153) 2.655 9.768 ( 2.534 0.000 -6.645) 7.112 9.836 ( 12.502 0.000 -18.469) 22.303 10.134 ( -5.354 0.000 8.877) 10.367 10.147 ( 8.301 0.000 -16.116) 18.128 10.486 ( -8.433 0.000 -2.294) 8.739 11.032 ( 0.776 0.000 17.018) 17.035 11.252 ( -2.717 0.000 9.824) 10.193 17.443 ( 10.506 0.000 0.407) 10.514 17.928 ( 8.375 0.000 -23.963) 25.385 18.166 ( 0.007 0.000 0.020) 0.021 18.168 ( -0.045 0.000 -0.022) 0.050 18.528 ( -0.904 0.000 1.019) 1.362 18.597 ( 2.693 0.000 -0.221) 2.702 18.844 ( -3.394 0.000 5.462) 6.431 19.303 ( -6.436 0.000 -5.446) 8.431 19.536 ( -8.867 0.000 16.776) 18.975 19.766 ( -9.665 0.000 7.896) 12.480 21.555 ( 2.594 0.000 0.718) 2.692 21.682 ( -0.356 0.000 -2.885) 2.907 ======================= Grid point 84 (29/75) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 10.156 0.000 -3.234) 10.658 1.526 ( 2.647 0.000 -6.219) 6.759 1.661 ( 3.352 0.000 8.962) 9.568 1.850 ( -4.336 0.000 4.519) 6.263 1.917 ( 24.129 0.000 6.663) 25.033 2.471 ( 1.520 0.000 -1.881) 2.418 2.656 ( -1.664 0.000 -0.259) 1.684 2.732 ( 17.737 0.000 1.776) 17.825 2.759 ( -7.467 0.000 -1.451) 7.607 2.848 ( -5.212 0.000 1.320) 5.377 2.875 ( -12.499 0.000 -7.734) 14.698 3.012 ( -4.099 0.000 -3.593) 5.451 3.244 ( 14.013 0.000 5.007) 14.880 3.305 ( 10.603 0.000 5.819) 12.095 3.331 ( 39.325 0.000 7.759) 40.084 3.475 ( -2.614 0.000 2.439) 3.575 3.553 ( 15.150 0.000 1.168) 15.195 3.658 ( 24.131 0.000 2.672) 24.278 3.904 ( 4.582 0.000 -5.623) 7.253 4.039 ( 5.791 0.000 -3.692) 6.868 4.110 ( 2.040 0.000 -1.329) 2.434 4.196 ( 2.949 0.000 -1.257) 3.205 4.240 ( -13.785 0.000 -7.231) 15.567 4.294 ( -3.305 0.000 -3.202) 4.602 4.502 ( -8.983 0.000 -1.673) 9.138 4.611 ( -9.432 0.000 -6.609) 11.517 4.713 ( -16.144 0.000 -2.893) 16.401 4.834 ( -19.655 0.000 -3.501) 19.964 5.027 ( -0.341 0.000 1.440) 1.480 5.113 ( -4.428 0.000 5.775) 7.277 5.228 ( -0.113 0.000 3.252) 3.254 5.316 ( -5.725 0.000 5.130) 7.687 5.398 ( 3.119 0.000 7.788) 8.390 5.407 ( 10.287 0.000 13.131) 16.681 5.669 ( -15.195 0.000 1.621) 15.281 5.830 ( -8.440 0.000 4.743) 9.682 6.097 ( 1.148 0.000 -0.051) 1.149 6.137 ( -0.099 0.000 1.649) 1.652 6.300 ( 4.109 0.000 -9.814) 10.639 6.451 ( -3.463 0.000 -3.606) 5.000 6.507 ( 1.913 0.000 -7.592) 7.829 6.523 ( 0.325 0.000 -4.497) 4.509 6.589 ( 15.099 0.000 -1.278) 15.153 7.048 ( -5.146 0.000 -9.700) 10.981 7.185 ( 8.023 0.000 7.221) 10.794 7.250 ( 3.414 0.000 -14.879) 15.266 7.310 ( 0.693 0.000 1.647) 1.787 7.357 ( 2.861 0.000 -7.308) 7.848 7.490 ( 3.695 0.000 -1.093) 3.853 7.574 ( -4.543 0.000 9.207) 10.267 7.634 ( 2.659 0.000 12.105) 12.394 7.682 ( -5.403 0.000 1.998) 5.760 7.721 ( -6.991 0.000 0.669) 7.023 8.029 ( -7.888 0.000 4.823) 9.245 8.085 ( -2.642 0.000 7.700) 8.141 8.163 ( 2.819 0.000 -5.995) 6.625 8.211 ( -9.713 0.000 6.325) 11.591 8.238 ( -0.646 0.000 -4.486) 4.533 8.511 ( 1.774 0.000 -1.083) 2.079 8.724 ( 0.524 0.000 -2.474) 2.529 8.794 ( 3.560 0.000 2.597) 4.407 8.821 ( 1.253 0.000 2.380) 2.689 8.871 ( 0.282 0.000 0.190) 0.340 9.106 ( -4.601 0.000 -1.690) 4.902 9.691 ( 4.581 0.000 0.982) 4.685 9.827 ( 2.207 0.000 -3.603) 4.225 10.038 ( 8.775 0.000 -19.420) 21.310 10.043 ( -2.345 0.000 5.733) 6.194 10.226 ( 0.275 0.000 -19.302) 19.304 10.303 ( -10.294 0.000 -1.899) 10.467 11.071 ( 3.025 0.000 16.268) 16.546 11.200 ( -2.964 0.000 10.808) 11.207 17.663 ( 11.859 0.000 -1.394) 11.940 17.984 ( -1.925 0.000 -15.164) 15.285 18.166 ( 0.008 0.000 0.008) 0.011 18.167 ( -0.038 0.000 -0.011) 0.040 18.515 ( -0.220 0.000 2.715) 2.724 18.592 ( -3.518 0.000 7.567) 8.345 18.859 ( 6.051 0.000 -4.227) 7.382 19.178 ( -7.283 0.000 -7.887) 10.735 19.449 ( -0.959 0.000 10.810) 10.853 19.594 ( -7.794 0.000 7.242) 10.639 21.598 ( 1.888 0.000 0.414) 1.933 21.660 ( -1.497 0.000 -1.103) 1.859 ======================= Grid point 85 (30/75) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -3.890 0.000 -7.451) 8.406 1.516 ( 3.890 0.000 -7.451) 8.406 1.742 ( -5.089 0.000 7.487) 9.053 1.742 ( 5.089 0.000 7.487) 9.053 2.359 ( -17.731 0.000 2.386) 17.891 2.359 ( 17.731 0.000 2.386) 17.891 2.679 ( -3.131 0.000 -6.015) 6.781 2.679 ( 3.131 0.000 -6.015) 6.781 2.701 ( -6.044 0.000 4.465) 7.514 2.701 ( 6.044 0.000 4.465) 7.514 2.943 ( -4.694 0.000 -2.195) 5.181 2.943 ( 4.694 0.000 -2.195) 5.181 3.348 ( -6.290 0.000 6.224) 8.849 3.348 ( 6.290 0.000 6.224) 8.849 3.706 ( -20.166 0.000 -0.578) 20.175 3.706 ( 20.166 0.000 -0.578) 20.175 3.918 ( -17.207 0.000 -2.557) 17.396 3.918 ( 17.207 0.000 -2.557) 17.396 4.004 ( -20.738 0.000 0.256) 20.739 4.004 ( 20.738 0.000 0.256) 20.739 4.136 ( -13.281 0.000 -3.927) 13.850 4.136 ( 13.281 0.000 -3.927) 13.850 4.239 ( -13.681 0.000 2.094) 13.840 4.239 ( 13.681 0.000 2.094) 13.840 4.358 ( -2.200 0.000 3.126) 3.822 4.358 ( 2.200 0.000 3.126) 3.822 4.544 ( -7.473 0.000 -10.183) 12.631 4.544 ( 7.473 0.000 -10.183) 12.631 5.028 ( -1.834 0.000 2.886) 3.420 5.028 ( 1.834 0.000 2.886) 3.420 5.247 ( -1.400 0.000 -0.144) 1.408 5.247 ( 1.400 0.000 -0.144) 1.408 5.476 ( -5.280 0.000 8.808) 10.269 5.476 ( 5.280 0.000 8.808) 10.269 5.633 ( -11.738 0.000 10.650) 15.849 5.633 ( 11.738 0.000 10.650) 15.849 6.122 ( -1.276 0.000 1.289) 1.813 6.122 ( 1.276 0.000 1.289) 1.813 6.371 ( -4.131 0.000 -5.400) 6.799 6.371 ( 4.131 0.000 -5.400) 6.799 6.527 ( -0.211 0.000 -6.058) 6.061 6.527 ( 0.211 0.000 -6.058) 6.061 6.882 ( -12.666 0.000 -10.739) 16.606 6.882 ( 12.666 0.000 -10.739) 16.606 7.292 ( -3.033 0.000 2.736) 4.085 7.292 ( 3.033 0.000 2.736) 4.085 7.337 ( -4.503 0.000 -10.959) 11.848 7.337 ( 4.503 0.000 -10.959) 11.848 7.576 ( -5.315 0.000 1.351) 5.484 7.576 ( 5.315 0.000 1.351) 5.484 7.577 ( -5.280 0.000 5.803) 7.845 7.577 ( 5.280 0.000 5.803) 7.845 7.785 ( -11.738 0.000 8.980) 14.779 7.785 ( 11.738 0.000 8.980) 14.779 8.108 ( -2.564 0.000 7.959) 8.362 8.108 ( 2.564 0.000 7.959) 8.362 8.211 ( -2.087 0.000 -6.052) 6.402 8.211 ( 2.087 0.000 -6.052) 6.402 8.607 ( -7.019 0.000 -2.281) 7.381 8.607 ( 7.019 0.000 -2.281) 7.381 8.852 ( -2.191 0.000 1.649) 2.743 8.852 ( 2.191 0.000 1.649) 2.743 8.974 ( -8.712 0.000 2.101) 8.962 8.974 ( 8.712 0.000 2.101) 8.962 9.789 ( -5.034 0.000 1.482) 5.248 9.789 ( 5.034 0.000 1.482) 5.248 10.114 ( -8.443 0.000 -0.577) 8.463 10.114 ( 8.443 0.000 -0.577) 8.463 10.174 ( -5.244 0.000 -19.759) 20.442 10.174 ( 5.244 0.000 -19.759) 20.442 11.137 ( -3.510 0.000 13.192) 13.651 11.137 ( 3.510 0.000 13.192) 13.651 17.872 ( -9.124 0.000 -6.596) 11.258 17.872 ( 9.124 0.000 -6.596) 11.258 18.166 ( -0.020 0.000 -0.002) 0.021 18.166 ( 0.020 0.000 -0.002) 0.021 18.530 ( -2.043 0.000 6.156) 6.486 18.530 ( 2.043 0.000 6.156) 6.486 19.017 ( -9.060 0.000 -8.253) 12.255 19.017 ( 9.060 0.000 -8.253) 12.255 19.480 ( -3.877 0.000 8.288) 9.150 19.480 ( 3.877 0.000 8.288) 9.150 21.630 ( -1.580 0.000 -0.199) 1.593 21.630 ( 1.580 0.000 -0.199) 1.593 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 20.707 22.267) 30.407 0.911 ( 0.000 22.506 19.590) 29.837 1.499 ( 0.000 28.976 25.218) 38.413 1.656 ( 0.000 25.898 2.418) 26.011 1.656 ( 0.000 15.199 10.479) 18.461 2.062 ( 0.000 -6.127 2.348) 6.562 2.153 ( 0.000 33.412 -21.053) 39.491 2.218 ( 0.000 1.346 5.146) 5.320 2.455 ( 0.000 15.869 -13.992) 21.157 2.534 ( 0.000 3.482 -4.526) 5.711 2.814 ( 0.000 6.099 -3.276) 6.923 2.979 ( 0.000 2.950 -15.026) 15.312 3.207 ( 0.000 -7.825 1.449) 7.958 3.410 ( 0.000 -4.478 1.661) 4.776 3.412 ( 0.000 4.106 -2.164) 4.641 3.488 ( 0.000 2.035 -0.729) 2.161 3.509 ( 0.000 -1.968 1.575) 2.521 3.645 ( 0.000 5.173 5.746) 7.732 3.799 ( 0.000 2.602 -5.129) 5.751 3.911 ( 0.000 0.534 0.770) 0.937 4.051 ( 0.000 -0.822 0.416) 0.922 4.070 ( 0.000 -1.759 0.101) 1.761 4.264 ( 0.000 9.437 -2.123) 9.673 4.308 ( 0.000 -5.941 7.763) 9.776 4.727 ( 0.000 -8.737 -6.784) 11.061 4.737 ( 0.000 -5.606 -3.174) 6.443 4.843 ( 0.000 -3.508 -6.467) 7.357 4.848 ( 0.000 -0.577 -1.920) 2.005 5.068 ( 0.000 -1.938 4.104) 4.539 5.273 ( 0.000 0.668 -0.399) 0.778 5.307 ( 0.000 1.995 -1.837) 2.711 5.367 ( 0.000 -5.126 2.989) 5.934 5.647 ( 0.000 3.308 -0.204) 3.315 5.693 ( 0.000 -2.318 -0.699) 2.422 5.877 ( 0.000 -0.521 -1.651) 1.731 5.885 ( 0.000 -3.322 -0.118) 3.324 5.983 ( 0.000 -1.757 3.976) 4.347 6.018 ( 0.000 6.079 2.835) 6.707 6.308 ( 0.000 1.643 -10.086) 10.219 6.327 ( 0.000 5.379 -0.881) 5.450 6.421 ( 0.000 9.920 5.145) 11.175 6.464 ( 0.000 -4.885 -8.886) 10.140 6.558 ( 0.000 -8.321 7.198) 11.002 6.777 ( 0.000 1.206 -6.500) 6.611 6.954 ( 0.000 1.130 -2.200) 2.474 7.188 ( 0.000 -5.588 -4.832) 7.388 7.265 ( 0.000 -2.168 8.588) 8.857 7.304 ( 0.000 0.820 4.211) 4.290 7.362 ( 0.000 1.098 9.258) 9.323 7.582 ( 0.000 8.956 7.876) 11.927 7.674 ( 0.000 -1.113 2.142) 2.413 7.869 ( 0.000 -1.207 8.937) 9.019 7.896 ( 0.000 -0.011 -6.318) 6.318 7.942 ( 0.000 -3.226 4.864) 5.837 8.156 ( 0.000 -1.677 0.166) 1.686 8.174 ( 0.000 4.573 6.269) 7.760 8.203 ( 0.000 4.147 -3.230) 5.257 8.447 ( 0.000 0.150 -1.576) 1.583 8.508 ( 0.000 -8.234 -9.292) 12.416 8.796 ( 0.000 -16.323 -7.526) 17.974 8.811 ( 0.000 -2.463 2.994) 3.877 9.023 ( 0.000 -3.302 6.159) 6.988 9.107 ( 0.000 -9.268 -2.001) 9.482 9.235 ( 0.000 -16.430 5.508) 17.328 9.525 ( 0.000 27.701 -30.602) 41.278 9.569 ( 0.000 0.241 -3.324) 3.333 9.648 ( 0.000 2.621 -5.478) 6.073 9.893 ( 0.000 10.551 -11.260) 15.431 10.406 ( 0.000 11.489 10.362) 15.471 10.770 ( 0.000 9.380 -2.036) 9.599 11.080 ( 0.000 1.240 6.447) 6.565 11.490 ( 0.000 3.595 -7.073) 7.935 17.231 ( 0.000 0.962 0.559) 1.113 17.315 ( 0.000 2.960 -1.531) 3.333 18.070 ( 0.000 -8.631 -0.343) 8.638 18.171 ( 0.000 -1.305 -10.629) 10.709 18.548 ( 0.000 0.244 0.908) 0.940 18.582 ( 0.000 3.069 0.113) 3.071 18.984 ( 0.000 0.360 9.268) 9.275 19.527 ( 0.000 2.557 -11.080) 11.371 20.004 ( 0.000 5.243 10.487) 11.725 20.347 ( 0.000 -0.711 3.673) 3.741 21.452 ( 0.000 -2.936 0.169) 2.941 21.455 ( 0.000 -2.496 -0.006) 2.496 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 16.791 17.983 17.252) 30.049 1.095 ( 17.718 16.890 16.347) 29.435 1.598 ( 2.823 3.812 10.111) 11.168 1.670 ( 3.604 26.200 0.134) 26.447 1.817 ( 12.862 22.712 10.755) 28.231 2.113 ( 6.420 8.017 -0.231) 10.273 2.153 ( 3.241 8.264 8.597) 12.358 2.263 ( 9.606 17.313 -3.844) 20.169 2.571 ( 5.298 8.349 -10.700) 14.570 2.626 ( 14.823 3.585 -5.626) 16.255 2.840 ( 2.018 5.458 -3.037) 6.564 2.991 ( 1.026 1.736 -8.877) 9.104 3.098 ( -8.668 -3.602 6.172) 11.234 3.228 ( -9.741 1.635 0.722) 9.903 3.376 ( -4.259 3.848 -4.240) 7.136 3.497 ( 0.891 2.780 0.964) 3.074 3.573 ( 3.171 5.509 -1.045) 6.442 3.617 ( -0.104 6.900 3.974) 7.963 3.805 ( 1.249 2.629 -5.939) 6.613 3.955 ( -3.631 1.216 6.705) 7.721 4.052 ( 3.228 -1.433 2.273) 4.200 4.083 ( 1.396 -2.945 -2.938) 4.388 4.184 ( 0.592 3.549 -5.521) 6.590 4.501 ( 9.328 0.288 4.773) 10.482 4.639 ( -6.357 -9.980 -6.199) 13.359 4.720 ( -4.035 -0.692 -8.396) 9.341 4.847 ( 5.494 -7.751 1.361) 9.598 4.895 ( 2.358 -4.236 -1.115) 4.975 5.139 ( 1.204 1.798 1.085) 2.421 5.185 ( -3.536 2.964 3.628) 5.869 5.286 ( -3.287 -4.346 4.447) 7.033 5.313 ( -4.953 -2.567 2.563) 6.139 5.629 ( -7.149 0.869 -1.459) 7.348 5.709 ( -5.702 -2.976 -4.136) 7.648 5.794 ( 4.686 0.895 -5.035) 6.937 5.988 ( -0.443 2.619 -1.608) 3.105 6.014 ( 6.902 -0.890 0.663) 6.990 6.123 ( 9.229 -5.058 -0.504) 10.536 6.282 ( -0.970 6.801 -0.004) 6.870 6.303 ( -1.728 3.649 -0.154) 4.040 6.439 ( 0.367 -0.389 -4.144) 4.179 6.458 ( -0.449 2.419 -3.890) 4.603 6.685 ( 6.297 -2.663 3.838) 7.840 6.811 ( 4.611 -2.042 -6.372) 8.126 6.976 ( 2.017 -6.074 -1.399) 6.552 7.171 ( -2.517 -2.911 0.124) 3.850 7.232 ( -2.704 -1.983 4.847) 5.894 7.307 ( 0.375 -1.036 3.814) 3.970 7.356 ( 2.522 2.075 0.047) 3.267 7.602 ( 0.675 3.944 6.864) 7.945 7.717 ( 2.350 -3.582 2.654) 5.040 7.791 ( -5.611 1.461 7.979) 9.863 7.855 ( -2.494 0.517 -1.563) 2.988 7.967 ( 0.624 -3.473 1.084) 3.691 8.148 ( -1.171 -1.256 3.677) 4.058 8.190 ( 0.574 -0.022 2.484) 2.550 8.251 ( 3.742 1.292 -1.180) 4.131 8.429 ( -2.757 -2.954 -5.900) 7.151 8.464 ( -1.647 -4.735 -2.427) 5.570 8.674 ( -9.342 -6.342 -0.897) 11.327 8.827 ( -2.239 -12.023 -0.903) 12.263 8.954 ( -4.002 0.490 1.886) 4.451 9.051 ( -6.076 -0.414 0.054) 6.091 9.288 ( 5.174 -6.241 1.440) 8.234 9.521 ( -0.577 -5.882 -8.894) 10.679 9.593 ( 2.347 6.687 -9.997) 12.255 9.664 ( 3.930 7.978 -14.310) 16.848 10.013 ( 7.455 9.216 -12.070) 16.917 10.406 ( 0.095 12.000 6.723) 13.755 10.644 ( -10.131 5.057 1.949) 11.489 11.080 ( 0.139 2.161 8.888) 9.148 11.440 ( -3.888 7.202 0.276) 8.189 17.284 ( 5.555 0.585 0.623) 5.620 17.513 ( 15.402 -5.728 -8.505) 18.503 18.068 ( -0.291 -8.764 -0.379) 8.777 18.164 ( -0.799 -1.674 -10.404) 10.568 18.565 ( 1.769 0.413 0.338) 1.848 18.575 ( -0.694 3.004 0.315) 3.099 18.952 ( -3.317 -0.481 10.311) 10.842 19.483 ( -4.385 2.699 -9.882) 11.143 19.935 ( -7.328 8.227 9.988) 14.871 20.066 ( -18.359 12.065 10.578) 24.382 21.472 ( 1.977 -3.188 0.357) 3.769 21.550 ( 5.044 -7.110 -2.494) 9.068 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 16.092 18.660 6.676) 25.529 1.492 ( 22.723 9.613 8.926) 26.238 1.639 ( 3.227 3.651 9.408) 10.595 1.750 ( 4.640 25.233 -2.569) 25.784 1.944 ( -1.636 -0.254 2.977) 3.406 2.249 ( 12.371 2.176 1.209) 12.619 2.311 ( 12.286 -1.406 4.061) 13.016 2.683 ( 7.893 4.487 -1.819) 9.259 2.701 ( 19.271 11.313 -0.233) 22.347 2.854 ( -0.502 1.368 0.717) 1.624 2.916 ( 2.532 2.774 -2.747) 4.653 2.981 ( 12.429 5.020 -2.052) 13.560 3.045 ( -1.431 1.581 -2.107) 2.998 3.135 ( 3.842 6.579 -0.384) 7.628 3.360 ( 7.359 11.638 -0.722) 13.788 3.458 ( -3.690 7.227 2.961) 8.638 3.589 ( -1.231 8.609 -1.638) 8.849 3.689 ( 6.769 11.903 -0.390) 13.698 3.827 ( -2.916 1.417 -2.047) 3.834 3.913 ( 5.312 1.674 1.511) 5.771 4.083 ( 1.057 1.105 1.679) 2.271 4.097 ( 0.032 -3.668 -1.018) 3.807 4.256 ( 3.444 -1.536 -6.398) 7.427 4.465 ( -8.525 -2.902 -4.185) 9.930 4.610 ( -2.617 -4.797 -3.800) 6.656 4.689 ( -0.539 0.555 -4.035) 4.108 4.911 ( -2.353 -3.585 1.887) 4.685 4.983 ( 6.157 -6.270 1.399) 8.898 5.044 ( -4.807 3.872 3.498) 7.095 5.118 ( -6.213 -7.571 8.638) 13.059 5.190 ( -6.050 -1.030 -0.182) 6.140 5.259 ( 1.901 -1.011 8.787) 9.047 5.493 ( -4.950 4.018 4.215) 7.643 5.568 ( -7.586 2.095 -2.718) 8.326 5.910 ( 2.024 3.197 -11.211) 11.833 5.965 ( -2.866 2.353 -4.156) 5.569 6.134 ( 2.256 -0.421 -1.935) 3.002 6.150 ( 1.048 4.865 -0.707) 5.026 6.303 ( 3.201 -0.788 4.557) 5.625 6.347 ( -4.803 2.071 -1.245) 5.377 6.359 ( 1.040 0.076 2.635) 2.834 6.506 ( 3.852 0.662 -8.154) 9.043 6.663 ( -3.570 5.860 -1.239) 6.973 6.930 ( 4.278 -5.126 4.527) 8.067 7.058 ( 7.339 -13.577 -4.884) 16.188 7.134 ( -0.713 -0.257 -1.720) 1.879 7.206 ( 0.990 -3.921 -0.052) 4.044 7.356 ( 2.676 -0.532 -3.991) 4.834 7.403 ( 2.080 0.519 -2.294) 3.139 7.582 ( -2.269 -2.470 5.644) 6.565 7.653 ( -5.423 -2.046 9.022) 10.723 7.767 ( -0.703 -2.376 -0.639) 2.559 7.812 ( -2.099 2.645 2.017) 3.933 7.943 ( -2.424 -4.851 2.898) 6.149 8.115 ( -2.101 -3.671 1.501) 4.488 8.184 ( -2.221 -3.967 0.983) 4.652 8.247 ( -6.217 -0.944 0.816) 6.341 8.403 ( -1.384 -4.874 -4.336) 6.669 8.430 ( 2.004 -4.627 0.124) 5.044 8.537 ( -4.612 -0.095 1.428) 4.829 8.705 ( -8.294 -4.395 2.607) 9.742 8.813 ( -5.398 -11.359 -0.340) 12.581 9.102 ( 6.381 18.736 -0.083) 19.793 9.355 ( 1.698 1.076 -0.637) 2.109 9.520 ( 1.031 -20.552 -2.615) 20.743 9.643 ( 3.117 3.093 -3.679) 5.729 9.776 ( 5.807 2.923 -19.352) 20.415 10.075 ( -1.298 6.871 -5.901) 9.150 10.378 ( -4.254 7.960 0.542) 9.042 10.507 ( -2.340 3.992 -3.072) 5.554 11.091 ( 1.233 3.257 13.446) 13.890 11.365 ( -3.853 8.151 5.606) 10.617 17.434 ( 9.707 -0.695 0.417) 9.741 17.769 ( 10.149 -10.415 -10.362) 17.856 18.059 ( -0.563 -9.150 -0.483) 9.180 18.135 ( -2.385 -2.977 -9.090) 9.858 18.557 ( -0.998 2.795 1.116) 3.171 18.605 ( 1.501 -0.102 1.358) 2.026 18.879 ( -2.823 -0.091 9.223) 9.646 19.372 ( -6.866 2.624 -7.772) 10.698 19.748 ( -8.539 18.942 9.171) 22.712 19.837 ( -8.142 9.652 7.209) 14.540 21.513 ( 2.094 -4.054 0.539) 4.595 21.599 ( 0.557 -7.215 -1.735) 7.441 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.961 5.655 5.540) 9.910 1.719 ( 6.645 19.635 0.077) 20.729 1.815 ( 3.026 21.274 -4.046) 21.866 1.857 ( -4.757 2.085 4.626) 6.955 1.967 ( 21.305 6.496 3.421) 22.535 2.361 ( 3.469 -8.310 -0.507) 9.019 2.634 ( -1.771 -1.853 1.358) 2.901 2.714 ( 8.038 -1.153 2.518) 8.502 2.717 ( -0.655 -3.711 0.386) 3.788 2.867 ( -7.666 1.057 1.716) 7.927 2.936 ( 1.381 7.880 -5.681) 9.812 3.139 ( 5.134 7.414 -2.978) 9.497 3.226 ( 10.517 3.903 -3.704) 11.814 3.342 ( 20.971 3.378 -0.601) 21.250 3.437 ( 2.553 9.252 5.912) 11.272 3.592 ( 0.421 8.455 1.129) 8.541 3.671 ( 7.844 8.440 5.419) 12.733 3.824 ( 19.491 11.109 -3.750) 22.746 3.916 ( 10.674 2.592 -0.645) 11.003 4.011 ( -0.017 -2.906 -6.036) 6.699 4.064 ( -4.233 -2.323 -2.407) 5.395 4.128 ( 5.890 -1.684 2.000) 6.445 4.223 ( -8.270 -4.841 -2.852) 9.998 4.326 ( -7.178 2.461 3.532) 8.370 4.494 ( -4.995 -1.583 -3.134) 6.106 4.568 ( -10.303 6.625 -4.866) 13.181 4.773 ( -7.234 1.632 -2.886) 7.958 4.932 ( -2.430 2.773 1.776) 4.092 5.043 ( -1.887 3.417 -2.516) 4.644 5.089 ( -0.321 -1.802 5.779) 6.062 5.211 ( 1.842 -1.495 9.347) 9.644 5.280 ( -1.154 -0.295 2.743) 2.990 5.405 ( -1.598 3.123 5.685) 6.680 5.512 ( 4.218 3.852 8.507) 10.247 5.727 ( -17.893 7.012 -0.051) 19.218 5.868 ( -7.347 2.569 0.433) 7.795 6.126 ( 0.094 -0.166 -0.037) 0.195 6.177 ( -1.404 1.889 0.273) 2.369 6.264 ( 0.834 -1.447 -2.252) 2.804 6.346 ( -0.686 -2.257 1.001) 2.563 6.496 ( 7.995 1.655 -9.106) 12.230 6.562 ( 1.508 1.105 -8.193) 8.403 6.674 ( 6.659 3.553 -0.114) 7.548 6.984 ( 0.665 -8.995 -4.379) 10.026 7.104 ( -0.187 -3.580 -5.938) 6.936 7.225 ( -0.058 -6.096 -2.136) 6.460 7.241 ( 8.319 -4.001 -3.390) 9.834 7.383 ( 0.587 0.979 -4.162) 4.315 7.453 ( 3.188 -2.818 -2.332) 4.852 7.522 ( -3.216 -5.115 7.797) 9.864 7.593 ( -0.750 -1.917 5.830) 6.182 7.708 ( -5.305 -1.960 -1.590) 5.875 7.755 ( -3.088 4.822 3.810) 6.878 7.905 ( -2.856 -9.530 1.947) 10.137 8.010 ( -8.443 -5.696 4.514) 11.140 8.062 ( -3.924 -5.562 0.883) 6.864 8.214 ( 0.895 0.159 2.234) 2.412 8.366 ( -8.748 4.519 4.751) 10.932 8.437 ( 3.099 -5.620 -3.111) 7.132 8.495 ( 2.250 -10.711 1.325) 11.025 8.657 ( 0.943 -4.784 2.413) 5.440 8.731 ( -3.503 -6.202 -1.239) 7.230 9.214 ( 4.818 17.963 0.467) 18.604 9.353 ( -1.854 6.802 0.737) 7.089 9.585 ( 5.878 -21.385 -3.088) 22.393 9.718 ( 4.485 0.359 -3.699) 5.825 9.832 ( -0.535 -3.998 -10.385) 11.141 9.992 ( -6.420 6.637 -0.247) 9.237 10.324 ( 0.452 3.925 -4.362) 5.886 10.471 ( -3.114 7.181 -13.075) 15.239 11.135 ( 3.281 4.174 14.236) 15.194 11.289 ( -4.067 6.757 8.260) 11.420 17.641 ( 11.274 -2.068 -1.235) 11.528 17.898 ( 3.086 -8.148 -9.317) 12.757 18.045 ( -0.994 -9.769 -0.679) 9.843 18.067 ( -4.250 -6.371 -4.069) 8.673 18.542 ( -0.468 2.388 2.915) 3.797 18.589 ( -2.604 -0.112 7.356) 7.804 18.905 ( 5.573 1.179 -0.612) 5.729 19.224 ( -8.501 1.137 -6.900) 11.007 19.646 ( -2.487 18.240 6.356) 19.475 19.707 ( -5.276 12.645 5.600) 14.802 21.547 ( 1.452 -4.874 0.299) 5.095 21.592 ( -0.905 -6.326 -0.767) 6.437 ======================= Grid point 94 (35/75) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -4.802 1.427 6.337) 8.078 1.739 ( 4.802 1.427 6.337) 8.078 1.827 ( -2.343 24.297 -6.532) 25.269 1.827 ( 2.343 24.297 -6.532) 25.269 2.316 ( -11.944 -3.439 2.181) 12.620 2.316 ( 11.944 -3.439 2.181) 12.620 2.612 ( -3.703 -1.041 1.326) 4.069 2.612 ( 3.703 -1.041 1.326) 4.069 2.773 ( -2.020 1.392 0.003) 2.453 2.773 ( 2.020 1.392 0.003) 2.453 3.069 ( -6.565 10.458 -4.509) 13.145 3.069 ( 6.565 10.458 -4.509) 13.145 3.453 ( -5.915 9.451 5.053) 12.241 3.453 ( 5.915 9.451 5.053) 12.241 3.665 ( -14.482 -11.129 0.810) 18.283 3.665 ( 14.482 -11.129 0.810) 18.283 3.802 ( -12.671 6.600 1.383) 14.354 3.802 ( 12.671 6.600 1.383) 14.354 3.968 ( -14.595 -8.299 -4.976) 17.511 3.968 ( 14.595 -8.299 -4.976) 17.511 4.081 ( -5.106 -2.177 -6.406) 8.476 4.081 ( 5.106 -2.177 -6.406) 8.476 4.288 ( -7.670 2.141 2.068) 8.228 4.288 ( 7.670 2.141 2.068) 8.228 4.444 ( -9.460 9.560 0.091) 13.450 4.444 ( 9.460 9.560 0.091) 13.450 4.818 ( -13.286 19.455 -1.678) 23.618 4.818 ( 13.286 19.455 -1.678) 23.618 5.015 ( -3.963 0.129 3.467) 5.267 5.015 ( 3.963 0.129 3.467) 5.267 5.237 ( -2.246 -0.963 1.538) 2.887 5.237 ( 2.246 -0.963 1.538) 2.887 5.461 ( -7.168 -0.018 7.798) 10.592 5.461 ( 7.168 -0.018 7.798) 10.592 5.686 ( -10.897 3.381 6.827) 13.296 5.686 ( 10.897 3.381 6.827) 13.296 6.142 ( -1.488 -0.899 0.930) 1.972 6.142 ( 1.488 -0.899 0.930) 1.972 6.308 ( -2.653 -0.813 -1.116) 2.991 6.308 ( 2.654 -0.813 -1.116) 2.991 6.566 ( -1.058 1.914 -8.382) 8.662 6.566 ( 1.058 1.914 -8.382) 8.662 6.879 ( -10.546 -1.528 -9.217) 14.089 6.879 ( 10.546 -1.528 -9.217) 14.089 7.164 ( -4.823 -9.073 -3.017) 10.709 7.164 ( 4.823 -9.073 -3.017) 10.709 7.364 ( -3.222 0.089 -3.891) 5.053 7.364 ( 3.222 0.089 -3.891) 5.053 7.508 ( -2.075 -3.779 2.962) 5.231 7.508 ( 2.075 -3.779 2.962) 5.231 7.600 ( -4.154 -1.719 -0.516) 4.525 7.600 ( 4.154 -1.719 -0.516) 4.525 7.773 ( -6.080 -1.711 6.337) 8.947 7.773 ( 6.080 -1.711 6.337) 8.947 7.991 ( -2.926 -6.685 3.755) 8.206 7.991 ( 2.926 -6.685 3.755) 8.206 8.251 ( -3.372 0.371 3.272) 4.713 8.251 ( 3.372 0.371 3.272) 4.713 8.497 ( -2.189 -8.549 -0.675) 8.850 8.497 ( 2.189 -8.549 -0.675) 8.850 8.682 ( -1.662 -4.331 0.409) 4.657 8.682 ( 1.662 -4.331 0.409) 4.657 9.295 ( -3.810 11.878 1.329) 12.545 9.295 ( 3.810 11.878 1.329) 12.545 9.716 ( -6.247 -16.007 -6.953) 18.536 9.716 ( 6.247 -16.007 -6.953) 18.536 9.862 ( -6.128 6.139 1.671) 8.833 9.862 ( 6.128 6.139 1.671) 8.833 10.387 ( -4.881 6.032 -12.018) 14.305 10.387 ( 4.881 6.032 -12.018) 14.305 11.209 ( -4.191 5.309 11.217) 13.098 11.209 ( 4.191 5.309 11.217) 13.098 17.842 ( -8.574 -2.923 -6.047) 10.891 17.842 ( 8.574 -2.923 -6.047) 10.891 18.028 ( -0.692 -10.796 -0.274) 10.822 18.028 ( 0.692 -10.796 -0.274) 10.822 18.547 ( -1.245 1.519 5.893) 6.212 18.547 ( 1.245 1.519 5.893) 6.212 19.053 ( -8.923 0.674 -5.329) 10.416 19.053 ( 8.923 0.674 -5.329) 10.416 19.640 ( -1.675 15.758 5.305) 16.711 19.640 ( 1.675 15.758 5.305) 16.711 21.572 ( -1.143 -5.583 -0.155) 5.701 21.572 ( 1.143 -5.583 -0.155) 5.701 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 23.741 10.049) 25.780 1.391 ( 0.000 21.014 9.144) 22.918 1.583 ( 0.000 -0.319 6.013) 6.021 1.974 ( 0.000 -0.473 6.527) 6.544 2.054 ( 0.000 5.533 1.416) 5.712 2.413 ( 0.000 20.081 3.774) 20.432 2.420 ( 0.000 35.905 5.588) 36.337 2.599 ( 0.000 3.156 -10.961) 11.407 2.616 ( 0.000 16.561 -9.604) 19.144 2.821 ( 0.000 16.428 -1.689) 16.515 2.964 ( 0.000 6.474 -2.349) 6.887 3.081 ( 0.000 7.010 -3.735) 7.943 3.120 ( 0.000 1.633 -3.377) 3.751 3.338 ( 0.000 -0.992 2.005) 2.237 3.417 ( 0.000 -5.897 3.172) 6.696 3.437 ( 0.000 -2.075 -9.456) 9.681 3.547 ( 0.000 0.824 1.268) 1.512 3.816 ( 0.000 -0.156 -1.754) 1.761 3.844 ( 0.000 8.338 -1.045) 8.403 3.990 ( 0.000 -2.891 4.575) 5.412 3.997 ( 0.000 0.472 5.330) 5.351 4.119 ( 0.000 12.614 1.629) 12.719 4.243 ( 0.000 2.682 6.956) 7.455 4.348 ( 0.000 -0.315 -9.740) 9.746 4.542 ( 0.000 -8.516 -6.059) 10.452 4.616 ( 0.000 -2.284 1.126) 2.547 4.746 ( 0.000 -5.614 -3.145) 6.435 4.815 ( 0.000 -3.225 -2.892) 4.332 5.221 ( 0.000 8.940 -3.974) 9.784 5.267 ( 0.000 -1.925 7.147) 7.402 5.298 ( 0.000 0.474 0.599) 0.764 5.304 ( 0.000 3.900 2.952) 4.891 5.615 ( 0.000 -5.895 1.684) 6.131 5.658 ( 0.000 -9.856 -0.040) 9.856 5.755 ( 0.000 1.214 -5.108) 5.250 5.804 ( 0.000 -5.964 -0.112) 5.965 6.004 ( 0.000 3.275 4.500) 5.565 6.200 ( 0.000 -15.505 -6.231) 16.710 6.235 ( 0.000 7.761 10.501) 13.057 6.392 ( 0.000 4.772 -8.917) 10.113 6.403 ( 0.000 4.352 -4.987) 6.619 6.526 ( 0.000 1.392 1.645) 2.155 6.668 ( 0.000 13.195 4.562) 13.961 6.745 ( 0.000 -1.329 -0.264) 1.355 6.949 ( 0.000 -1.388 -1.312) 1.910 7.114 ( 0.000 -1.322 -6.159) 6.300 7.229 ( 0.000 -1.439 5.358) 5.548 7.346 ( 0.000 2.992 0.015) 2.992 7.395 ( 0.000 1.914 3.164) 3.698 7.615 ( 0.000 -4.469 0.902) 4.559 7.809 ( 0.000 11.290 3.673) 11.872 7.840 ( 0.000 -6.947 -10.808) 12.848 7.850 ( 0.000 -1.701 7.256) 7.453 7.896 ( 0.000 -0.304 4.946) 4.956 8.020 ( 0.000 -8.946 -0.332) 8.952 8.170 ( 0.000 -9.883 -4.140) 10.715 8.290 ( 0.000 -2.809 -2.896) 4.034 8.308 ( 0.000 -7.074 5.509) 8.966 8.486 ( 0.000 -0.784 0.062) 0.786 8.525 ( 0.000 -3.277 -0.707) 3.353 8.666 ( 0.000 -6.031 4.140) 7.315 8.739 ( 0.000 -17.903 1.966) 18.011 9.029 ( 0.000 -8.141 2.766) 8.598 9.062 ( 0.000 3.304 2.745) 4.296 9.612 ( 0.000 4.317 -3.346) 5.462 9.715 ( 0.000 4.020 -4.431) 5.983 9.814 ( 0.000 5.437 -16.227) 17.113 10.069 ( 0.000 5.930 -11.808) 13.213 10.634 ( 0.000 10.432 10.039) 14.477 10.965 ( 0.000 7.659 -0.397) 7.669 11.122 ( 0.000 3.673 4.789) 6.035 11.523 ( 0.000 -0.193 -5.934) 5.937 17.267 ( 0.000 2.688 0.792) 2.803 17.405 ( 0.000 5.892 -2.622) 6.449 17.865 ( 0.000 -10.833 -0.231) 10.835 18.099 ( 0.000 -5.696 -14.203) 15.303 18.556 ( 0.000 0.584 2.316) 2.389 18.674 ( 0.000 5.939 -0.519) 5.962 18.874 ( 0.000 -8.338 16.901) 18.846 19.464 ( 0.000 -8.100 -5.610) 9.853 20.245 ( 0.000 17.035 4.922) 17.732 20.501 ( 0.000 12.826 -1.061) 12.870 21.363 ( 0.000 -6.042 0.217) 6.046 21.377 ( 0.000 -5.206 -0.150) 5.208 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 10.707 19.325 9.712) 24.134 1.488 ( 8.945 16.710 8.865) 20.924 1.617 ( 3.276 4.459 6.610) 8.620 1.959 ( 1.009 -2.731 5.191) 5.952 2.034 ( -1.664 3.963 1.578) 4.579 2.327 ( -2.213 23.634 -1.120) 23.764 2.579 ( 2.058 11.236 -4.414) 12.246 2.687 ( 13.495 18.246 -3.176) 22.916 2.712 ( 6.101 8.676 -6.968) 12.691 2.841 ( 1.249 15.400 -3.719) 15.892 2.957 ( -0.634 5.854 -1.853) 6.173 3.100 ( -0.673 4.867 -1.717) 5.205 3.112 ( 6.953 12.836 6.823) 16.114 3.255 ( -4.745 2.832 0.423) 5.542 3.424 ( 0.181 0.127 -7.887) 7.890 3.504 ( 7.272 -2.984 -1.547) 8.012 3.634 ( 5.896 -1.378 0.576) 6.082 3.818 ( -1.774 8.773 0.347) 8.957 3.862 ( 3.432 1.506 -1.244) 3.949 3.938 ( -3.046 -3.547 1.989) 5.081 4.045 ( 3.787 3.574 2.560) 5.802 4.121 ( 0.444 11.601 2.803) 11.943 4.279 ( 3.009 4.855 2.029) 6.062 4.423 ( 4.769 -5.186 -2.851) 7.600 4.548 ( 1.570 -2.241 -4.820) 5.542 4.654 ( 4.466 -5.351 -0.113) 6.971 4.714 ( -2.242 -4.104 0.418) 4.695 4.831 ( 0.351 -1.165 -2.464) 2.748 5.141 ( -8.039 1.066 4.090) 9.083 5.240 ( -4.678 0.836 6.689) 8.205 5.258 ( -2.866 0.773 2.058) 3.612 5.296 ( 1.244 2.321 -3.362) 4.271 5.495 ( -9.027 -9.547 -0.016) 13.139 5.686 ( 1.579 -1.846 -0.782) 2.552 5.793 ( 8.156 -1.934 -8.071) 11.636 5.987 ( 10.410 -2.538 -0.853) 10.749 6.006 ( 0.514 1.431 5.612) 5.814 6.177 ( -3.007 5.982 -4.787) 8.231 6.328 ( -0.440 -1.876 -3.809) 4.269 6.348 ( 6.861 -4.869 3.779) 9.223 6.453 ( 1.980 2.816 -6.641) 7.480 6.536 ( 1.044 0.401 2.474) 2.715 6.638 ( -1.267 7.145 5.288) 8.979 6.752 ( -0.264 0.811 1.676) 1.881 6.938 ( -1.067 -1.750 -2.724) 3.408 7.128 ( 0.006 -0.240 -4.110) 4.117 7.210 ( -1.260 -1.051 2.682) 3.144 7.302 ( -5.457 2.095 5.875) 8.288 7.390 ( 1.825 0.564 -4.115) 4.537 7.611 ( -1.723 -6.272 1.006) 6.582 7.727 ( -6.937 5.094 -1.134) 8.681 7.822 ( -3.802 -0.406 -4.364) 5.802 7.840 ( 0.614 -3.950 0.556) 4.036 7.898 ( 0.013 -0.126 5.045) 5.046 8.037 ( 0.483 -7.161 1.998) 7.450 8.167 ( -0.630 -4.972 0.799) 5.075 8.213 ( -4.682 -12.870 -0.318) 13.699 8.312 ( -1.618 2.124 3.135) 4.118 8.453 ( -2.628 -2.657 -1.953) 4.217 8.532 ( -0.022 -11.160 3.191) 11.607 8.600 ( -3.561 -2.311 0.321) 4.257 8.739 ( -2.238 -11.404 1.119) 11.675 9.049 ( 1.215 -11.820 1.024) 11.927 9.105 ( 2.816 -2.637 2.259) 4.471 9.521 ( -6.451 10.422 -4.556) 13.076 9.684 ( 1.164 4.024 0.230) 4.196 9.873 ( 4.507 5.260 -15.305) 16.799 10.186 ( 7.529 6.322 -13.783) 16.930 10.616 ( -1.480 8.971 7.272) 11.643 10.827 ( -12.536 11.150 0.606) 16.788 11.113 ( -0.218 1.122 7.897) 7.979 11.518 ( -1.257 0.383 -3.028) 3.301 17.308 ( 4.212 1.915 0.782) 4.693 17.481 ( 6.921 2.096 -3.656) 8.103 17.861 ( -0.343 -10.740 -0.264) 10.749 18.087 ( -1.345 -5.859 -13.632) 14.899 18.571 ( 1.424 0.334 2.232) 2.669 18.664 ( -0.945 5.758 -0.277) 5.842 18.851 ( -2.069 -7.152 15.974) 17.624 19.425 ( -3.994 -7.731 -5.307) 10.192 20.210 ( -3.396 17.975 4.311) 18.794 20.395 ( -9.190 17.728 0.287) 19.971 21.373 ( 0.989 -6.583 0.273) 6.662 21.404 ( 1.892 -7.369 -0.503) 7.624 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.663 2.755 6.077) 7.611 1.757 ( 15.230 6.451 9.043) 18.851 1.775 ( 15.337 16.621 8.245) 24.072 1.960 ( -2.066 2.714 0.510) 3.449 2.058 ( 4.960 -5.912 0.909) 7.770 2.328 ( 2.113 21.854 -2.173) 22.063 2.653 ( 4.183 14.112 -2.349) 14.905 2.732 ( -1.495 5.805 -3.711) 7.050 2.788 ( -2.544 5.639 -0.501) 6.207 2.911 ( 4.109 -1.778 -7.553) 8.780 2.989 ( 3.669 5.433 3.065) 7.237 3.127 ( 5.449 6.023 -3.451) 8.824 3.203 ( 2.054 11.486 -2.838) 12.008 3.341 ( 5.554 12.314 -0.934) 13.541 3.575 ( 18.685 9.401 -2.049) 21.017 3.623 ( -0.178 2.607 -0.994) 2.796 3.693 ( 4.930 -4.342 -2.135) 6.907 3.836 ( 2.888 12.214 1.595) 12.651 3.892 ( 1.702 -1.959 1.282) 2.894 3.966 ( 6.185 7.030 -1.606) 9.501 4.050 ( -3.076 5.175 -0.734) 6.065 4.179 ( 2.732 2.858 4.641) 6.097 4.324 ( 1.222 8.982 -0.505) 9.079 4.450 ( 0.052 2.225 2.765) 3.550 4.571 ( -6.730 0.171 0.780) 6.777 4.686 ( 7.978 2.206 0.906) 8.327 4.793 ( 1.677 -4.725 0.222) 5.019 4.859 ( 6.067 -4.867 0.219) 7.781 5.005 ( -2.641 -1.402 3.544) 4.637 5.114 ( -8.087 -0.764 5.080) 9.581 5.193 ( -1.983 1.073 -0.601) 2.333 5.279 ( -2.768 3.740 9.254) 10.358 5.445 ( 3.259 -5.946 -6.714) 9.543 5.668 ( -4.071 5.442 -2.268) 7.164 5.930 ( 3.680 -2.967 -7.674) 9.014 6.014 ( -0.642 0.661 4.487) 4.581 6.078 ( -3.247 -0.469 -1.969) 3.827 6.178 ( 7.241 -0.349 -2.774) 7.762 6.321 ( -1.839 6.313 -4.385) 7.903 6.456 ( 4.276 1.481 3.519) 5.733 6.483 ( 1.037 4.559 -3.624) 5.915 6.530 ( -1.211 3.223 0.032) 3.443 6.704 ( 1.282 -11.473 3.598) 12.093 6.748 ( 6.483 -4.600 4.912) 9.345 6.865 ( -7.965 0.580 -2.224) 8.290 7.066 ( -3.540 -3.067 2.008) 5.096 7.191 ( 0.056 1.218 -1.041) 1.603 7.288 ( 3.415 -4.097 -5.512) 7.670 7.421 ( 0.784 -0.979 -2.636) 2.919 7.533 ( -6.309 -4.675 2.651) 8.287 7.592 ( -5.437 -1.347 -4.255) 7.034 7.720 ( -5.740 -2.693 -8.361) 10.493 7.835 ( -3.771 -5.592 2.624) 7.237 7.893 ( 0.432 4.082 2.483) 4.797 8.008 ( -4.457 -8.352 4.209) 10.360 8.070 ( -5.800 -3.263 2.493) 7.107 8.232 ( 1.027 -8.461 2.585) 8.906 8.238 ( -2.904 -3.263 5.146) 6.749 8.374 ( -4.011 -2.683 -0.489) 4.850 8.535 ( 2.147 -9.108 0.175) 9.359 8.604 ( 1.685 -1.240 -0.391) 2.128 8.628 ( -8.900 -2.182 2.328) 9.455 9.057 ( -0.581 -18.699 -2.088) 18.824 9.088 ( -3.761 -18.288 -0.176) 18.672 9.533 ( 7.208 20.939 -0.685) 22.155 9.739 ( 4.144 4.948 1.642) 6.659 9.979 ( 6.140 7.517 -14.846) 17.737 10.255 ( -0.830 9.110 -8.656) 12.594 10.550 ( -10.924 10.833 1.878) 15.499 10.612 ( -3.122 5.710 -2.832) 7.097 11.122 ( 1.379 -0.682 12.491) 12.586 11.465 ( -4.097 0.607 1.146) 4.297 17.423 ( 7.602 -0.113 0.469) 7.617 17.623 ( 6.960 -3.428 -4.230) 8.837 17.852 ( -0.649 -10.444 -0.390) 10.471 18.041 ( -3.636 -6.321 -11.463) 13.586 18.597 ( 0.720 -0.073 4.135) 4.198 18.641 ( -1.387 5.197 0.402) 5.394 18.822 ( 0.038 -4.387 10.774) 11.633 19.318 ( -6.894 -6.863 -4.601) 10.761 20.133 ( -4.084 19.947 3.115) 20.598 20.219 ( -8.088 22.522 1.431) 23.972 21.393 ( 0.937 -7.764 0.280) 7.825 21.427 ( 0.442 -9.236 -0.531) 9.262 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 3.852 2.373 5.912) 7.444 1.847 ( -3.702 0.603 4.442) 5.814 2.031 ( 9.951 3.780 1.039) 10.695 2.086 ( 8.228 -0.959 0.590) 8.305 2.219 ( 13.300 7.376 1.863) 15.322 2.396 ( 4.702 19.738 -2.250) 20.414 2.636 ( -3.660 3.697 0.179) 5.205 2.715 ( -0.957 5.131 0.892) 5.295 2.766 ( 0.706 7.070 0.785) 7.148 2.873 ( -6.579 -0.888 0.490) 6.657 3.108 ( 7.679 7.987 -0.952) 11.121 3.261 ( 4.655 4.400 -4.710) 7.951 3.304 ( 5.759 0.662 -7.356) 9.366 3.428 ( 7.285 6.474 -3.815) 10.466 3.637 ( 4.964 2.528 0.787) 5.627 3.717 ( -3.687 -5.693 -3.914) 7.831 3.813 ( 3.118 13.043 0.379) 13.415 3.873 ( 0.178 7.367 1.508) 7.522 3.946 ( -2.737 -3.642 -2.927) 5.415 4.002 ( 5.465 -0.254 -3.117) 6.296 4.107 ( -3.217 0.051 -0.584) 3.270 4.188 ( 3.385 10.191 -2.561) 11.040 4.286 ( -4.068 14.416 4.692) 15.697 4.451 ( 0.356 11.204 7.705) 13.602 4.547 ( 4.296 6.581 4.068) 8.849 4.747 ( -2.025 6.445 -0.682) 6.790 4.808 ( 5.564 5.463 -3.057) 8.376 4.992 ( 0.176 4.663 4.174) 6.261 5.040 ( 3.661 -1.640 3.003) 5.011 5.050 ( 9.759 -3.068 1.842) 10.394 5.221 ( 0.596 0.070 11.778) 11.793 5.289 ( 6.951 3.216 -2.351) 8.012 5.520 ( 4.555 -1.835 1.024) 5.017 5.549 ( -7.370 8.870 1.375) 11.614 5.860 ( -8.437 -0.527 -2.135) 8.719 5.956 ( -10.328 8.575 -0.964) 13.458 6.053 ( -1.221 -3.639 4.921) 6.241 6.139 ( -8.260 0.018 1.150) 8.340 6.338 ( 4.090 5.431 -0.807) 6.847 6.453 ( -2.469 7.885 1.414) 8.383 6.528 ( 3.647 -2.220 -7.329) 8.482 6.589 ( 4.324 2.117 -6.154) 7.813 6.677 ( -0.465 -2.692 0.788) 2.844 6.718 ( -2.731 -13.131 0.131) 13.412 6.974 ( 9.384 -11.505 -0.712) 14.863 7.039 ( 1.498 -10.664 -0.414) 10.776 7.184 ( -1.076 0.837 -3.491) 3.748 7.372 ( 4.177 -1.723 -6.995) 8.328 7.407 ( -1.711 -4.832 2.092) 5.537 7.435 ( -1.539 0.142 -4.086) 4.369 7.538 ( -0.914 -4.926 -0.759) 5.067 7.622 ( -4.582 -4.986 -7.772) 10.308 7.716 ( -6.964 -7.867 -0.355) 10.512 7.777 ( -14.274 -7.497 1.247) 16.171 7.926 ( 0.504 1.376 2.258) 2.692 8.005 ( -2.808 -0.258 3.559) 4.540 8.175 ( 0.331 -2.353 6.924) 7.321 8.302 ( 3.078 -7.962 4.119) 9.478 8.351 ( 0.695 -4.431 4.430) 6.304 8.432 ( -10.222 2.718 5.134) 11.757 8.587 ( 2.408 -5.228 -1.691) 5.999 8.625 ( 0.322 -3.240 -0.963) 3.395 9.018 ( -2.049 -22.489 -2.145) 22.684 9.039 ( -1.783 -23.852 -2.316) 24.030 9.713 ( 10.112 21.085 -0.828) 23.399 9.836 ( 5.594 6.976 0.279) 8.947 10.063 ( 0.528 16.653 -8.508) 18.708 10.187 ( -5.567 10.788 -1.605) 12.245 10.373 ( -3.569 3.898 0.329) 5.296 10.554 ( -4.807 1.523 -12.168) 13.171 11.175 ( 4.093 -1.244 12.276) 13.000 11.372 ( -5.279 -0.018 4.536) 6.960 17.590 ( 9.412 -2.589 -0.876) 9.801 17.733 ( 4.307 -6.535 -3.550) 8.594 17.836 ( -1.101 -9.914 -0.646) 9.996 17.941 ( -6.801 -6.603 -7.101) 11.844 18.593 ( -0.576 1.309 6.262) 6.423 18.613 ( -1.447 4.056 2.424) 4.942 18.877 ( 5.420 -3.294 2.343) 6.761 19.169 ( -8.301 -5.702 -3.601) 10.695 20.069 ( -2.305 21.678 2.202) 21.911 20.099 ( -4.292 23.420 1.655) 23.867 21.407 ( 0.543 -8.817 0.122) 8.834 21.426 ( -0.417 -9.672 -0.304) 9.686 ======================= Grid point 103 (40/75) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -4.441 1.821 4.792) 6.782 1.763 ( 4.441 1.821 4.792) 6.782 2.145 ( -1.513 -3.671 -1.211) 4.151 2.145 ( 1.513 -3.671 -1.211) 4.151 2.413 ( -5.669 19.018 -3.213) 20.103 2.413 ( 5.669 19.018 -3.213) 20.103 2.671 ( -6.745 5.259 5.568) 10.206 2.671 ( 6.745 5.259 5.568) 10.206 2.765 ( -1.337 0.320 0.526) 1.472 2.765 ( 1.337 0.320 0.526) 1.472 3.236 ( -5.632 4.670 -5.437) 9.115 3.236 ( 5.632 4.670 -5.437) 9.115 3.462 ( -11.412 -5.593 -0.316) 12.713 3.462 ( 11.412 -5.593 -0.316) 12.713 3.678 ( -5.364 1.445 -4.206) 6.968 3.678 ( 5.364 1.445 -4.206) 6.968 3.845 ( -2.309 2.848 -0.265) 3.676 3.845 ( 2.309 2.848 -0.265) 3.676 3.969 ( -5.845 7.578 2.218) 9.824 3.969 ( 5.845 7.578 2.218) 9.824 4.133 ( -6.702 9.143 -5.622) 12.654 4.133 ( 6.702 9.143 -5.622) 12.654 4.338 ( -8.843 4.874 4.057) 10.882 4.338 ( 8.843 4.874 4.057) 10.882 4.662 ( -5.485 11.832 -1.011) 13.080 4.662 ( 5.485 11.832 -1.011) 13.080 4.968 ( -4.604 -0.473 4.536) 6.480 4.968 ( 4.604 -0.473 4.536) 6.480 5.142 ( -6.115 -1.504 3.082) 7.011 5.142 ( 6.115 -1.504 3.082) 7.011 5.342 ( -8.565 18.349 1.171) 20.283 5.342 ( 8.565 18.349 1.171) 20.283 5.515 ( -13.755 5.329 5.008) 15.578 5.515 ( 13.755 5.329 5.008) 15.578 5.723 ( -9.205 0.910 2.177) 9.503 5.723 ( 9.205 0.910 2.177) 9.503 6.054 ( -1.600 -4.489 4.226) 6.369 6.054 ( 1.600 -4.489 4.226) 6.369 6.403 ( -2.779 5.875 -0.220) 6.503 6.403 ( 2.779 5.875 -0.220) 6.503 6.593 ( -2.375 1.565 -5.922) 6.570 6.593 ( 2.375 1.565 -5.922) 6.570 6.708 ( -0.637 -16.192 -4.266) 16.756 6.708 ( 0.637 -16.192 -4.266) 16.756 7.035 ( -3.650 -1.924 -5.559) 6.923 7.035 ( 3.650 -1.924 -5.559) 6.923 7.316 ( -9.885 -6.891 0.876) 12.082 7.316 ( 9.885 -6.891 0.876) 12.082 7.433 ( -2.947 -2.489 -0.694) 3.920 7.433 ( 2.947 -2.489 -0.694) 3.920 7.536 ( -5.148 -3.232 -6.821) 9.136 7.536 ( 5.148 -3.232 -6.821) 9.136 7.620 ( -2.339 -10.953 -0.198) 11.202 7.620 ( 2.339 -10.953 -0.198) 11.202 7.952 ( -2.262 1.071 2.860) 3.800 7.952 ( 2.262 1.071 2.860) 3.800 8.249 ( -6.787 0.007 6.809) 9.614 8.249 ( 6.787 0.007 6.809) 9.614 8.356 ( -0.799 -4.486 5.719) 7.312 8.356 ( 0.799 -4.486 5.719) 7.312 8.619 ( -0.919 -4.193 -2.075) 4.768 8.619 ( 0.919 -4.193 -2.075) 4.768 9.009 ( -0.911 -24.554 -2.292) 24.677 9.009 ( 0.911 -24.554 -2.292) 24.677 9.877 ( -4.833 16.210 -3.996) 17.380 9.877 ( 4.833 16.210 -3.996) 17.380 10.062 ( -4.549 14.841 3.723) 15.963 10.062 ( 4.549 14.841 3.723) 15.963 10.434 ( -6.712 -0.496 -10.408) 12.395 10.434 ( 6.712 -0.496 -10.408) 12.395 11.269 ( -5.346 -0.812 8.210) 9.831 11.269 ( 5.346 -0.812 8.210) 9.831 17.761 ( -5.899 -4.724 -4.571) 8.833 17.761 ( 5.899 -4.724 -4.571) 8.833 17.816 ( -1.198 -9.000 -0.531) 9.095 17.816 ( 1.198 -9.000 -0.531) 9.095 18.592 ( -0.594 2.966 4.611) 5.514 18.592 ( 0.594 2.966 4.611) 5.514 19.010 ( -7.985 -4.314 -1.796) 9.252 19.010 ( 7.985 -4.314 -1.796) 9.252 20.052 ( -0.699 22.818 1.778) 22.898 20.052 ( 0.699 22.818 1.778) 22.898 21.416 ( -0.476 -9.464 -0.087) 9.477 21.416 ( 0.476 -9.464 -0.087) 9.477 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.000 0.655 3.138) 3.206 1.616 ( 0.000 2.054 4.088) 4.575 1.806 ( 0.000 18.085 0.235) 18.086 2.028 ( 0.000 1.963 -3.078) 3.651 2.236 ( 0.000 17.341 7.851) 19.036 2.671 ( 0.000 5.330 -6.952) 8.760 2.737 ( 0.000 2.097 -6.155) 6.503 2.781 ( 0.000 12.917 3.103) 13.284 2.859 ( 0.000 7.812 -8.612) 11.627 2.887 ( 0.000 -7.929 3.536) 8.681 3.133 ( 0.000 2.717 -7.500) 7.977 3.231 ( 0.000 3.988 -1.351) 4.211 3.240 ( 0.000 -4.271 7.300) 8.458 3.289 ( 0.000 -8.922 -8.109) 12.056 3.401 ( 0.000 7.665 -3.906) 8.603 3.506 ( 0.000 -4.106 -3.656) 5.498 3.532 ( 0.000 26.319 12.626) 29.191 3.808 ( 0.000 -3.598 4.923) 6.098 3.825 ( 0.000 0.752 0.349) 0.829 3.931 ( 0.000 -5.036 7.372) 8.928 4.110 ( 0.000 8.210 -4.254) 9.247 4.267 ( 0.000 0.270 -3.199) 3.211 4.360 ( 0.000 2.112 -4.190) 4.692 4.481 ( 0.000 8.797 7.151) 11.337 4.481 ( 0.000 6.858 -1.194) 6.961 4.651 ( 0.000 -2.191 1.381) 2.590 4.728 ( 0.000 15.051 1.000) 15.085 4.787 ( 0.000 2.077 -2.803) 3.489 5.102 ( 0.000 -9.753 1.199) 9.826 5.211 ( 0.000 -5.063 6.196) 8.002 5.349 ( 0.000 -17.034 8.074) 18.851 5.359 ( 0.000 3.935 -0.852) 4.026 5.487 ( 0.000 -4.504 2.442) 5.123 5.559 ( 0.000 -1.823 -5.083) 5.400 5.672 ( 0.000 -10.061 -5.784) 11.605 5.761 ( 0.000 -1.737 3.043) 3.504 5.964 ( 0.000 6.626 -5.128) 8.378 6.119 ( 0.000 8.226 4.424) 9.340 6.302 ( 0.000 2.882 10.699) 11.080 6.427 ( 0.000 -3.676 0.597) 3.724 6.596 ( 0.000 11.237 -14.599) 18.423 6.620 ( 0.000 6.742 -6.533) 9.388 6.768 ( 0.000 3.630 -4.541) 5.814 6.930 ( 0.000 12.790 3.404) 13.235 6.938 ( 0.000 1.609 -1.798) 2.413 7.051 ( 0.000 -9.629 -12.657) 15.904 7.201 ( 0.000 -0.134 1.804) 1.809 7.360 ( 0.000 -2.262 -4.892) 5.390 7.468 ( 0.000 5.496 7.156) 9.023 7.478 ( 0.000 -10.402 0.536) 10.416 7.659 ( 0.000 -4.307 -8.011) 9.096 7.720 ( 0.000 -19.575 1.093) 19.605 7.780 ( 0.000 -6.087 0.959) 6.162 7.848 ( 0.000 -9.414 5.481) 10.894 7.928 ( 0.000 -0.249 6.534) 6.539 8.050 ( 0.000 6.900 7.743) 10.371 8.126 ( 0.000 -11.693 4.382) 12.487 8.243 ( 0.000 -9.793 5.829) 11.397 8.313 ( 0.000 5.606 1.066) 5.706 8.566 ( 0.000 0.408 -3.423) 3.447 8.612 ( 0.000 -0.375 -0.845) 0.924 8.684 ( 0.000 1.906 -5.770) 6.077 8.886 ( 0.000 -2.637 5.825) 6.394 9.076 ( 0.000 -2.345 1.680) 2.885 9.724 ( 0.000 5.246 -0.655) 5.287 9.829 ( 0.000 7.936 -5.726) 9.786 9.849 ( 0.000 -0.826 -7.015) 7.064 10.113 ( 0.000 -1.761 -10.145) 10.296 10.820 ( 0.000 7.879 8.363) 11.490 11.019 ( 0.000 -1.247 4.389) 4.563 11.255 ( 0.000 7.968 -0.421) 7.979 11.489 ( 0.000 -3.081 -4.024) 5.068 17.344 ( 0.000 4.980 0.941) 5.068 17.550 ( 0.000 7.927 -4.719) 9.225 17.654 ( 0.000 -9.260 0.483) 9.273 17.945 ( 0.000 -9.161 -11.932) 15.043 18.575 ( 0.000 1.446 4.974) 5.180 18.712 ( 0.000 -5.884 14.091) 15.270 18.830 ( 0.000 8.376 -1.060) 8.443 19.257 ( 0.000 -11.360 -3.492) 11.885 20.615 ( 0.000 18.120 2.301) 18.266 20.782 ( 0.000 13.834 -1.585) 13.924 21.201 ( 0.000 -10.061 0.514) 10.074 21.241 ( 0.000 -8.257 -0.436) 8.269 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 2.161 2.136 4.821) 5.699 1.724 ( 8.127 -2.232 2.168) 8.702 1.826 ( 2.138 13.826 0.409) 13.997 2.024 ( -0.206 3.904 -2.604) 4.698 2.192 ( -3.106 17.319 8.226) 19.423 2.656 ( -0.081 6.760 -6.029) 9.058 2.750 ( -0.762 9.313 2.184) 9.596 2.773 ( 1.598 2.754 -1.504) 3.521 2.882 ( 0.985 1.628 -6.817) 7.077 2.946 ( 3.613 -1.940 -0.379) 4.118 3.127 ( -0.792 6.123 -8.536) 10.535 3.186 ( -1.133 2.093 2.341) 3.339 3.326 ( 5.295 -7.981 -5.592) 11.091 3.353 ( 6.269 0.444 0.878) 6.346 3.414 ( 2.906 2.378 -3.712) 5.280 3.528 ( 1.365 0.334 -2.232) 2.637 3.648 ( 10.037 18.436 5.963) 21.822 3.787 ( 0.842 -2.815 4.814) 5.640 3.925 ( 7.754 2.272 2.932) 8.596 3.954 ( 2.076 0.990 4.366) 4.935 4.153 ( 4.263 6.106 -3.020) 8.036 4.322 ( 5.176 1.529 -0.571) 5.427 4.405 ( 2.795 3.280 -3.266) 5.407 4.458 ( 0.679 7.762 4.304) 8.901 4.536 ( 3.269 7.222 -1.484) 8.065 4.647 ( 0.926 1.282 3.325) 3.682 4.679 ( -2.588 7.451 3.364) 8.575 4.819 ( 1.834 1.183 -1.414) 2.600 5.082 ( -1.357 -9.865 1.628) 10.090 5.154 ( -3.924 -5.054 1.153) 6.502 5.241 ( -6.602 -2.603 2.533) 7.535 5.376 ( -1.841 -1.015 -0.119) 2.106 5.462 ( 0.111 2.965 3.191) 4.357 5.643 ( 2.932 -5.141 -2.731) 6.518 5.728 ( 7.967 0.085 1.855) 8.180 5.880 ( 8.944 -12.731 0.382) 15.563 5.967 ( 1.926 -1.752 -1.514) 3.012 6.137 ( 1.537 7.870 4.911) 9.403 6.334 ( 2.536 1.731 5.299) 6.124 6.427 ( -1.460 -0.787 -2.297) 2.833 6.491 ( -7.137 7.384 -6.895) 12.370 6.623 ( -1.171 5.335 -7.705) 9.445 6.740 ( -3.293 4.372 -5.773) 7.955 6.896 ( -3.684 0.890 1.179) 3.969 6.923 ( -1.197 10.688 1.966) 10.933 7.074 ( 2.528 -8.425 -11.298) 14.318 7.195 ( -0.361 0.878 0.270) 0.987 7.371 ( -0.146 -1.690 -5.150) 5.422 7.394 ( -4.806 4.480 4.397) 7.906 7.457 ( -3.302 -7.911 -0.961) 8.626 7.646 ( -1.681 -5.392 -5.125) 7.626 7.707 ( -3.105 -15.431 -0.914) 15.767 7.799 ( 0.978 -5.517 5.317) 7.725 7.824 ( -2.026 -9.550 2.380) 10.049 7.925 ( -0.033 0.460 2.841) 2.878 7.981 ( -3.011 -3.166 7.655) 8.814 8.151 ( -2.611 -0.434 1.435) 3.011 8.223 ( 0.911 -9.829 8.281) 12.885 8.327 ( 0.790 2.689 1.090) 3.007 8.513 ( -6.901 3.910 0.042) 7.931 8.586 ( -1.904 -0.504 -2.259) 2.998 8.657 ( -0.896 -2.107 -5.131) 5.619 8.844 ( -3.752 -5.655 4.948) 8.399 9.011 ( -7.600 -5.921 0.679) 9.658 9.760 ( 3.439 5.082 0.587) 6.164 9.808 ( 2.447 12.590 -4.838) 13.708 9.906 ( 4.311 0.233 -6.395) 7.716 10.229 ( 8.933 -2.455 -12.537) 15.589 10.785 ( -3.509 7.825 7.535) 11.416 10.986 ( -3.760 1.593 4.215) 5.869 11.170 ( -7.126 6.665 2.014) 9.963 11.470 ( -2.472 -4.747 -2.706) 5.997 17.368 ( 2.572 4.198 0.876) 5.001 17.573 ( 2.162 6.011 -4.606) 7.875 17.655 ( 0.153 -8.776 0.411) 8.786 17.933 ( -1.369 -8.969 -11.182) 14.400 18.586 ( 1.030 1.291 4.916) 5.185 18.711 ( 0.011 -5.106 12.614) 13.608 18.816 ( -1.470 8.060 -0.801) 8.231 19.226 ( -3.094 -10.892 -3.333) 11.803 20.594 ( -2.021 18.708 2.076) 18.931 20.737 ( -4.279 15.624 -1.221) 16.246 21.201 ( -0.060 -10.584 0.467) 10.595 21.239 ( -0.369 -9.225 -0.420) 9.242 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.495 2.563 5.074) 7.247 1.863 ( 4.960 -6.469 0.845) 8.196 1.881 ( 2.926 5.017 1.460) 5.989 2.030 ( 0.740 2.976 -2.225) 3.789 2.186 ( 4.508 17.219 8.487) 19.719 2.667 ( 0.976 11.100 -3.977) 11.832 2.768 ( 0.766 -4.434 -0.920) 4.593 2.790 ( 1.484 6.784 2.648) 7.432 2.891 ( -1.222 1.837 -3.579) 4.204 2.944 ( -1.154 4.235 -0.996) 4.501 3.166 ( 3.875 8.659 -2.112) 9.718 3.225 ( 5.419 3.139 -4.020) 7.442 3.363 ( -0.089 0.189 -4.202) 4.207 3.430 ( 0.962 -3.926 -1.544) 4.327 3.524 ( 1.224 -2.936 -5.718) 6.543 3.564 ( 5.434 -4.597 -1.750) 7.330 3.841 ( 8.819 8.026 -0.828) 11.954 3.844 ( 5.267 1.183 3.979) 6.706 3.990 ( 0.747 3.465 3.878) 5.253 4.105 ( 8.440 3.913 0.179) 9.305 4.246 ( 3.694 8.161 -0.564) 8.975 4.329 ( -5.221 12.869 -1.216) 13.941 4.451 ( 6.983 2.971 2.886) 8.119 4.574 ( 8.176 8.712 1.860) 12.091 4.585 ( 3.826 1.519 2.903) 5.037 4.706 ( 7.461 -0.663 1.144) 7.577 4.803 ( 7.250 2.446 1.931) 7.891 4.841 ( 6.839 5.694 3.363) 9.514 5.031 ( -3.294 -1.321 3.349) 4.879 5.131 ( -4.192 6.390 -0.102) 7.643 5.155 ( 3.713 -5.422 -1.965) 6.859 5.354 ( 0.399 -1.507 -2.894) 3.287 5.420 ( -3.320 8.174 5.651) 10.478 5.706 ( 1.865 0.877 -0.015) 2.061 5.852 ( 4.369 -1.196 1.723) 4.846 6.024 ( 5.007 -9.200 3.858) 11.162 6.068 ( 4.077 -5.669 1.352) 7.113 6.178 ( 0.852 3.009 -0.049) 3.128 6.268 ( -1.988 -1.716 2.174) 3.409 6.388 ( -0.009 -6.796 -1.426) 6.944 6.471 ( 0.761 -3.737 0.289) 3.824 6.545 ( -7.080 -0.744 -3.639) 7.995 6.661 ( -4.025 7.408 -5.489) 10.060 6.827 ( -2.720 3.863 2.004) 5.132 6.879 ( -2.965 6.356 -0.279) 7.019 7.131 ( -2.352 2.339 -0.517) 3.357 7.178 ( -0.446 0.264 -4.744) 4.772 7.254 ( -3.909 2.436 -4.033) 6.122 7.382 ( -3.275 -5.567 -2.882) 7.073 7.398 ( 0.536 -2.618 -6.537) 7.062 7.578 ( -8.143 -12.267 -0.548) 14.734 7.596 ( -3.658 0.361 -6.473) 7.444 7.733 ( -6.156 -6.971 1.711) 9.456 7.813 ( -3.768 -7.566 0.863) 8.497 7.910 ( -0.968 -5.276 -3.265) 6.280 7.991 ( 3.396 -8.219 11.088) 14.213 8.086 ( -1.876 2.429 1.188) 3.291 8.215 ( -2.472 0.332 6.627) 7.081 8.305 ( -5.212 -2.013 0.923) 5.663 8.420 ( 1.165 -1.540 2.524) 3.178 8.524 ( -4.180 -3.251 1.422) 5.483 8.646 ( -1.884 -4.356 -3.384) 5.829 8.745 ( -6.814 -7.531 2.789) 10.532 8.835 ( -7.729 -6.967 0.027) 10.405 9.842 ( 5.580 5.211 1.195) 7.728 9.938 ( 9.157 17.197 -4.219) 19.935 10.020 ( 7.470 -0.835 -6.143) 9.707 10.372 ( 4.750 0.227 -13.889) 14.681 10.691 ( -6.124 6.821 4.387) 10.163 10.854 ( -9.716 13.122 1.272) 16.377 11.063 ( -2.843 -3.870 9.979) 11.074 11.391 ( -5.466 -7.407 -0.197) 9.207 17.441 ( 4.879 2.073 0.521) 5.327 17.619 ( 2.277 1.640 -3.850) 4.764 17.661 ( 0.386 -7.170 0.053) 7.180 17.889 ( -3.342 -8.239 -8.893) 12.575 18.609 ( 1.197 1.394 5.469) 5.769 18.725 ( 1.781 -3.419 7.504) 8.436 18.777 ( -2.367 6.774 0.286) 7.182 19.143 ( -5.421 -9.633 -2.827) 11.409 20.547 ( -2.498 19.920 1.563) 20.137 20.640 ( -5.229 18.653 -0.548) 19.379 21.197 ( -0.289 -11.677 0.325) 11.685 21.225 ( -0.987 -10.928 -0.320) 10.977 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 4.059 3.257 3.971) 6.546 1.879 ( -2.285 2.633 1.421) 3.765 1.949 ( 4.018 -7.091 1.376) 8.266 2.041 ( 0.106 -2.594 -0.929) 2.757 2.382 ( 14.151 8.755 6.157) 17.743 2.691 ( 1.226 8.585 -2.575) 9.046 2.750 ( -1.822 0.599 -1.828) 2.649 2.825 ( -3.016 -0.538 -1.018) 3.229 2.837 ( 1.127 5.629 1.912) 6.051 2.936 ( -1.292 9.716 3.563) 10.429 3.262 ( 5.273 4.710 0.376) 7.080 3.324 ( 0.374 3.023 -5.604) 6.378 3.342 ( -0.283 2.766 -7.034) 7.564 3.407 ( 0.865 -10.898 1.252) 11.003 3.521 ( -3.236 -2.752 -5.090) 6.630 3.600 ( -2.021 -9.422 -2.987) 10.089 3.922 ( 2.777 3.996 9.314) 10.509 4.006 ( 4.767 2.817 0.134) 5.539 4.025 ( 9.560 6.174 -3.462) 11.895 4.206 ( 1.750 12.173 -4.679) 13.158 4.240 ( -2.593 16.225 -0.442) 16.437 4.301 ( 0.480 3.414 -1.762) 3.872 4.519 ( -0.574 8.076 0.797) 8.135 4.680 ( 2.226 4.642 -0.609) 5.183 4.763 ( 10.395 4.266 0.964) 11.278 4.822 ( 4.900 6.231 3.422) 8.634 4.908 ( 5.611 2.026 -0.347) 5.975 4.961 ( -2.703 2.502 -0.402) 3.705 5.011 ( 2.962 -2.038 1.990) 4.109 5.195 ( 5.297 9.843 6.084) 12.726 5.321 ( 2.889 4.697 5.715) 7.942 5.343 ( 17.932 9.650 5.178) 21.011 5.474 ( 7.286 -2.609 -5.209) 9.329 5.698 ( -1.652 5.769 2.302) 6.427 5.824 ( -8.175 -0.052 0.215) 8.178 6.036 ( -0.156 -0.437 5.615) 5.635 6.044 ( -2.291 3.894 3.284) 5.586 6.170 ( -3.944 -3.226 1.804) 5.405 6.294 ( -6.220 -18.466 -1.210) 19.522 6.388 ( -2.826 -12.885 2.946) 13.517 6.482 ( 1.889 0.080 -0.278) 1.911 6.518 ( -0.683 0.465 1.596) 1.797 6.570 ( 4.854 -3.448 3.874) 7.103 6.794 ( -0.518 6.952 -0.627) 6.999 6.817 ( -4.974 8.607 -0.456) 9.951 6.968 ( -1.586 3.264 -3.554) 5.080 7.200 ( -5.419 -5.425 -1.185) 7.759 7.265 ( 2.981 -4.605 -7.521) 9.309 7.353 ( -0.921 -2.359 -9.632) 9.959 7.403 ( 0.046 -2.791 -6.195) 6.795 7.432 ( -4.887 -8.120 -2.220) 9.734 7.505 ( -8.870 -6.978 -3.876) 11.933 7.575 ( -4.941 -0.146 -4.794) 6.886 7.684 ( -7.022 0.522 -9.043) 11.462 7.915 ( 1.034 -4.581 0.436) 4.716 8.034 ( -3.389 -4.649 -0.259) 5.759 8.086 ( 4.276 -2.066 11.026) 12.005 8.182 ( -0.138 -1.948 5.472) 5.810 8.248 ( 1.166 -6.657 3.972) 7.839 8.437 ( -2.963 -4.817 5.325) 7.767 8.454 ( -2.227 -8.428 0.531) 8.733 8.553 ( -6.853 2.453 1.754) 7.487 8.640 ( -1.086 -11.988 1.239) 12.100 8.749 ( -3.005 -5.502 -1.065) 6.359 9.975 ( 7.861 6.698 -0.232) 10.330 10.103 ( 6.506 16.061 -6.068) 18.360 10.189 ( 9.957 -2.235 -6.585) 12.145 10.401 ( -0.596 7.099 -6.207) 9.448 10.553 ( -8.079 6.069 -0.416) 10.113 10.653 ( -10.583 16.695 0.385) 19.771 11.066 ( 2.921 -9.401 10.974) 14.742 11.274 ( -6.374 -9.378 2.651) 11.645 17.551 ( 6.466 -0.844 -0.517) 6.541 17.653 ( 1.235 -2.733 -2.332) 3.799 17.669 ( 0.324 -4.875 -0.769) 4.946 17.803 ( -5.541 -6.609 -5.541) 10.251 18.632 ( 1.459 2.783 5.047) 5.945 18.720 ( -2.734 6.243 0.817) 6.864 18.794 ( 4.571 -4.449 3.085) 7.086 19.026 ( -6.527 -7.898 -1.846) 10.411 20.509 ( -1.249 20.888 1.011) 20.949 20.552 ( -3.640 20.553 0.032) 20.873 21.191 ( -0.226 -12.545 0.137) 12.548 21.205 ( -0.973 -12.201 -0.175) 12.241 ======================= Grid point 112 (45/75) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -3.760 3.319 2.652) 5.673 1.816 ( 3.760 3.319 2.652) 5.673 2.018 ( -2.658 -6.663 0.131) 7.174 2.018 ( 2.658 -6.663 0.131) 7.174 2.647 ( -10.534 2.101 2.341) 10.994 2.647 ( 10.534 2.101 2.341) 10.994 2.734 ( -2.188 3.789 -2.050) 4.832 2.734 ( 2.188 3.789 -2.050) 4.832 2.890 ( -3.032 8.968 4.014) 10.282 2.890 ( 3.032 8.968 4.014) 10.282 3.292 ( -0.741 1.225 -4.189) 4.427 3.292 ( 0.741 1.225 -4.189) 4.427 3.410 ( -6.512 -0.325 -0.936) 6.587 3.410 ( 6.512 -0.325 -0.936) 6.587 3.508 ( -6.428 -10.586 -2.731) 12.682 3.508 ( 6.428 -10.586 -2.731) 12.682 4.030 ( -5.884 8.045 1.731) 10.116 4.030 ( 5.884 8.045 1.731) 10.116 4.157 ( -4.703 6.828 -0.566) 8.310 4.157 ( 4.703 6.828 -0.566) 8.310 4.263 ( -8.013 8.503 -2.063) 11.864 4.263 ( 8.013 8.503 -2.063) 11.864 4.580 ( -8.467 13.319 -4.385) 16.380 4.580 ( 8.467 13.319 -4.385) 16.380 4.901 ( -2.474 -3.464 0.015) 4.257 4.901 ( 2.474 -3.464 0.015) 4.257 4.943 ( -2.906 10.493 0.654) 10.908 4.943 ( 2.906 10.493 0.654) 10.908 5.104 ( -6.945 3.532 7.030) 10.494 5.104 ( 6.945 3.532 7.030) 10.494 5.516 ( -4.255 -1.108 -0.860) 4.480 5.516 ( 4.255 -1.108 -0.860) 4.480 5.621 ( -11.502 1.583 3.377) 12.092 5.621 ( 11.502 1.583 3.377) 12.092 5.904 ( -19.312 13.092 3.136) 23.541 5.904 ( 19.312 13.092 3.136) 23.541 6.027 ( -5.295 2.204 6.372) 8.573 6.027 ( 5.295 2.204 6.372) 8.573 6.254 ( -4.318 -16.147 1.310) 16.765 6.254 ( 4.318 -16.147 1.310) 16.765 6.476 ( -2.487 -2.962 2.403) 4.553 6.476 ( 2.487 -2.962 2.403) 4.553 6.732 ( -2.955 10.553 -1.474) 11.057 6.732 ( 2.955 10.553 -1.474) 11.057 6.978 ( -14.244 -12.323 -0.264) 18.837 6.978 ( 14.244 -12.323 -0.264) 18.837 7.091 ( -5.800 -6.393 -1.307) 8.730 7.091 ( 5.800 -6.393 -1.307) 8.730 7.381 ( -1.618 -3.918 -5.196) 6.706 7.381 ( 1.618 -3.918 -5.196) 6.706 7.436 ( -2.319 -4.751 -10.618) 11.861 7.436 ( 2.319 -4.751 -10.618) 11.861 7.566 ( -4.118 5.306 -9.347) 11.510 7.566 ( 4.118 5.306 -9.347) 11.510 7.956 ( -3.418 -2.132 1.068) 4.167 7.956 ( 3.418 -2.132 1.068) 4.167 8.163 ( -2.865 -6.400 7.785) 10.477 8.163 ( 2.865 -6.400 7.785) 10.477 8.333 ( -6.525 -9.823 2.824) 12.126 8.333 ( 6.525 -9.823 2.824) 12.126 8.448 ( -3.211 -0.654 3.821) 5.034 8.448 ( 3.211 -0.654 3.821) 5.034 8.684 ( -3.710 -7.246 0.153) 8.142 8.684 ( 3.710 -7.246 0.153) 8.142 10.115 ( -5.302 8.962 -4.750) 11.445 10.115 ( 5.302 8.962 -4.750) 11.445 10.377 ( -8.358 -2.339 -7.884) 11.725 10.377 ( 8.358 -2.339 -7.884) 11.725 10.468 ( -6.930 19.642 3.673) 21.150 10.468 ( 6.930 19.642 3.673) 21.150 11.155 ( -5.788 -10.303 6.393) 13.435 11.155 ( 5.788 -10.303 6.393) 13.435 17.666 ( -0.623 -3.828 -1.931) 4.333 17.666 ( 0.623 -3.828 -1.931) 4.333 17.683 ( -6.065 -4.301 -1.947) 7.686 17.683 ( 6.065 -4.301 -1.947) 7.686 18.669 ( -2.377 4.663 2.904) 5.986 18.669 ( 2.377 4.663 2.904) 5.986 18.901 ( -6.272 -6.037 -0.086) 8.706 18.901 ( 6.272 -6.037 -0.086) 8.706 20.506 ( -1.094 21.176 0.517) 21.211 20.506 ( 1.094 21.176 0.517) 21.211 21.192 ( -0.347 -12.756 -0.029) 12.761 21.192 ( 0.347 -12.756 -0.029) 12.761 ======================= Grid point 117 (46/75) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.000 -1.345 2.626) 2.950 1.607 ( 0.000 1.345 2.626) 2.950 2.026 ( 0.000 -3.616 -5.881) 6.904 2.026 ( 0.000 3.616 -5.881) 6.904 2.612 ( 0.000 -16.728 4.954) 17.446 2.612 ( 0.000 16.728 4.954) 17.446 2.802 ( 0.000 -7.207 -3.825) 8.159 2.802 ( 0.000 7.207 -3.825) 8.159 2.868 ( 0.000 -6.886 -1.684) 7.089 2.868 ( 0.000 6.886 -1.684) 7.089 3.110 ( 0.000 -2.927 3.559) 4.608 3.110 ( 0.000 2.927 3.559) 4.608 3.317 ( 0.000 -6.988 -10.845) 12.902 3.317 ( 0.000 6.988 -10.845) 12.902 3.420 ( 0.000 -1.054 -1.360) 1.721 3.420 ( 0.000 1.054 -1.360) 1.721 3.797 ( 0.000 -2.155 4.690) 5.161 3.797 ( 0.000 2.155 4.690) 5.161 3.873 ( 0.000 -4.030 6.456) 7.611 3.873 ( 0.000 4.030 6.456) 7.611 4.235 ( 0.000 -3.051 -5.272) 6.091 4.235 ( 0.000 3.051 -5.272) 6.091 4.481 ( 0.000 -5.832 -5.612) 8.094 4.481 ( 0.000 5.832 -5.612) 8.094 4.674 ( 0.000 -12.685 8.799) 15.438 4.674 ( 0.000 12.685 8.799) 15.438 4.841 ( 0.000 -18.605 7.400) 20.023 4.841 ( 0.000 18.605 7.400) 20.023 5.044 ( 0.000 -10.318 5.920) 11.896 5.044 ( 0.000 10.318 5.920) 11.896 5.237 ( 0.000 -14.942 -2.880) 15.217 5.237 ( 0.000 14.942 -2.880) 15.217 5.478 ( 0.000 -3.041 -1.869) 3.569 5.478 ( 0.000 3.041 -1.869) 3.569 5.617 ( 0.000 -6.407 1.450) 6.569 5.617 ( 0.000 6.407 1.450) 6.569 6.273 ( 0.000 -5.204 2.152) 5.631 6.273 ( 0.000 5.204 2.152) 5.631 6.313 ( 0.000 -3.741 0.617) 3.792 6.313 ( 0.000 3.741 0.617) 3.792 6.703 ( 0.000 -4.819 -13.231) 14.081 6.703 ( 0.000 4.819 -13.231) 14.081 6.833 ( 0.000 -1.270 -15.095) 15.149 6.833 ( 0.000 1.270 -15.095) 15.149 7.096 ( 0.000 -12.369 4.587) 13.192 7.096 ( 0.000 12.369 4.587) 13.192 7.221 ( 0.000 -13.884 0.465) 13.892 7.221 ( 0.000 13.884 0.465) 13.892 7.376 ( 0.000 -6.000 -1.442) 6.170 7.376 ( 0.000 6.000 -1.442) 6.170 7.614 ( 0.000 -8.077 5.941) 10.027 7.614 ( 0.000 8.077 5.941) 10.027 7.699 ( 0.000 -2.061 1.967) 2.849 7.699 ( 0.000 2.061 1.967) 2.849 7.958 ( 0.000 -3.769 7.434) 8.335 7.958 ( 0.000 3.769 7.434) 8.335 8.138 ( 0.000 -3.281 5.362) 6.286 8.138 ( 0.000 3.281 5.362) 6.286 8.491 ( 0.000 -9.055 -4.583) 10.149 8.491 ( 0.000 9.055 -4.583) 10.149 8.626 ( 0.000 -1.984 0.070) 1.986 8.626 ( 0.000 1.984 0.070) 1.986 8.976 ( 0.000 -6.813 1.299) 6.936 8.976 ( 0.000 6.813 1.299) 6.936 9.806 ( 0.000 -3.114 -2.211) 3.819 9.806 ( 0.000 3.114 -2.211) 3.819 10.007 ( 0.000 -8.074 -7.345) 10.915 10.007 ( 0.000 8.074 -7.345) 10.915 10.952 ( 0.000 -5.048 6.339) 8.103 10.952 ( 0.000 5.048 6.339) 8.103 11.399 ( 0.000 -5.847 -2.426) 6.331 11.399 ( 0.000 5.847 -2.426) 6.331 17.471 ( 0.000 -7.534 0.689) 7.565 17.471 ( 0.000 7.534 0.689) 7.565 17.746 ( 0.000 -9.974 -7.641) 12.565 17.746 ( 0.000 9.974 -7.641) 12.565 18.620 ( 0.000 -3.200 9.206) 9.746 18.620 ( 0.000 3.200 9.206) 9.746 19.028 ( 0.000 -10.804 -2.505) 11.091 19.028 ( 0.000 10.804 -2.505) 11.091 20.949 ( 0.000 -14.305 1.024) 14.342 20.949 ( 0.000 14.305 1.024) 14.342 21.042 ( 0.000 -11.138 -0.845) 11.170 21.042 ( 0.000 11.138 -0.845) 11.170 ======================= Grid point 119 (47/75) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.895 -3.799 2.961) 6.194 1.648 ( 3.895 3.799 2.961) 6.194 2.013 ( -1.036 -4.781 -5.228) 7.160 2.013 ( -1.036 4.781 -5.228) 7.160 2.563 ( -2.929 -15.486 4.563) 16.408 2.563 ( -2.929 15.486 4.563) 16.408 2.835 ( 0.841 -3.901 -3.977) 5.634 2.835 ( 0.841 3.901 -3.977) 5.634 2.947 ( 6.663 -7.890 -1.701) 10.466 2.947 ( 6.663 7.890 -1.701) 10.466 3.084 ( -0.331 -5.962 4.043) 7.211 3.084 ( -0.331 5.962 4.043) 7.211 3.375 ( 3.778 -4.308 -9.206) 10.844 3.375 ( 3.778 4.308 -9.206) 10.844 3.439 ( 2.056 -2.001 -2.408) 3.746 3.439 ( 2.056 2.001 -2.408) 3.746 3.793 ( 2.477 -2.115 5.256) 6.184 3.793 ( 2.477 2.115 5.256) 6.184 3.977 ( 7.162 -1.938 3.595) 8.245 3.977 ( 7.162 1.938 3.595) 8.245 4.271 ( 3.875 -4.576 -4.201) 7.321 4.271 ( 3.875 4.576 -4.201) 7.321 4.504 ( 1.801 -5.288 -4.094) 6.926 4.504 ( 1.801 5.288 -4.094) 6.926 4.691 ( 1.449 -10.879 6.648) 12.831 4.691 ( 1.449 10.879 6.648) 12.831 4.850 ( 0.295 -10.955 4.142) 11.716 4.850 ( 0.295 10.955 4.142) 11.716 4.986 ( -0.723 -10.401 7.234) 12.690 4.986 ( -0.723 10.401 7.234) 12.690 5.239 ( -0.372 -11.556 -1.354) 11.641 5.239 ( -0.372 11.556 -1.354) 11.641 5.555 ( 4.034 -7.045 -1.526) 8.260 5.555 ( 4.034 7.045 -1.526) 8.260 5.668 ( 6.895 -5.308 2.671) 9.102 5.668 ( 6.895 5.308 2.671) 9.102 6.226 ( -4.858 -13.257 2.354) 14.314 6.226 ( -4.858 13.257 2.354) 14.314 6.320 ( 0.885 -6.930 2.614) 7.459 6.320 ( 0.885 6.930 2.614) 7.459 6.653 ( -6.999 -3.231 -12.233) 14.459 6.653 ( -6.999 3.231 -12.233) 14.459 6.810 ( -0.609 -6.149 -13.770) 15.093 6.810 ( -0.609 6.149 -13.770) 15.093 7.089 ( -0.461 -12.588 4.131) 13.256 7.089 ( -0.461 12.588 4.131) 13.256 7.230 ( 0.713 -15.262 -0.075) 15.279 7.230 ( 0.713 15.262 -0.075) 15.279 7.371 ( -0.545 -5.242 -3.283) 6.209 7.371 ( -0.545 5.242 -3.283) 6.209 7.571 ( -3.659 -9.637 2.277) 10.557 7.571 ( -3.659 9.637 2.277) 10.557 7.708 ( -0.164 -3.213 4.350) 5.411 7.708 ( -0.164 3.213 4.350) 5.411 7.934 ( -2.503 -0.936 5.836) 6.419 7.934 ( -2.503 0.936 5.836) 6.419 8.143 ( 0.930 -0.620 4.241) 4.386 8.143 ( 0.930 0.620 4.241) 4.386 8.485 ( -1.401 -10.093 -2.950) 10.608 8.485 ( -1.401 10.093 -2.950) 10.608 8.580 ( -4.848 -1.949 -0.243) 5.231 8.580 ( -4.848 1.949 -0.243) 5.231 8.883 ( -7.807 -6.038 1.789) 10.030 8.883 ( -7.807 6.038 1.789) 10.030 9.840 ( 3.553 -3.271 -1.650) 5.104 9.840 ( 3.553 3.271 -1.650) 5.104 10.091 ( 7.649 -10.649 -8.303) 15.519 10.091 ( 7.649 10.649 -8.303) 15.519 10.926 ( -2.597 -5.720 6.900) 9.331 10.926 ( -2.597 5.720 6.900) 9.331 11.337 ( -6.046 -8.052 -1.813) 10.231 11.337 ( -6.046 8.052 -1.813) 10.231 17.481 ( 1.127 -6.946 0.634) 7.065 17.481 ( 1.127 6.946 0.634) 7.065 17.744 ( -0.320 -9.139 -7.142) 11.603 17.744 ( -0.320 9.139 -7.142) 11.603 18.628 ( 0.816 -2.983 8.440) 8.988 18.628 ( 0.816 2.983 8.440) 8.988 19.007 ( -2.195 -10.411 -2.302) 10.886 19.007 ( -2.195 10.411 -2.302) 10.886 20.939 ( -1.000 -14.792 0.931) 14.855 20.939 ( -1.000 14.792 0.931) 14.855 21.022 ( -1.992 -12.029 -0.738) 12.215 21.022 ( -1.992 12.029 -0.738) 12.215 ======================= Grid point 121 (48/75) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 4.717 -5.175 3.126) 7.668 1.735 ( 4.717 5.175 3.126) 7.668 1.993 ( -1.080 -4.873 -2.975) 5.811 1.993 ( -1.080 4.873 -2.975) 5.811 2.535 ( 0.448 -15.469 3.514) 15.869 2.535 ( 0.448 15.469 3.514) 15.869 2.829 ( -1.312 -4.834 -3.728) 6.244 2.829 ( -1.312 4.834 -3.728) 6.244 3.032 ( 3.051 -14.064 1.739) 14.495 3.032 ( 3.051 14.064 1.739) 14.495 3.141 ( 3.981 -10.677 3.814) 12.016 3.141 ( 3.981 10.677 3.814) 12.016 3.408 ( 0.274 -2.298 -7.908) 8.240 3.408 ( 0.274 2.298 -7.908) 8.240 3.493 ( 2.083 -2.018 -5.401) 6.130 3.493 ( 2.083 2.018 -5.401) 6.130 3.884 ( 5.359 -3.248 6.914) 9.332 3.884 ( 5.359 3.248 6.914) 9.332 4.092 ( 5.051 -5.576 -1.895) 7.759 4.092 ( 5.051 5.576 -1.895) 7.759 4.390 ( 8.243 -6.315 -0.295) 10.388 4.390 ( 8.243 6.315 -0.295) 10.388 4.540 ( 2.005 -7.468 -3.279) 8.399 4.540 ( 2.005 7.468 -3.279) 8.399 4.736 ( 3.770 -5.057 5.020) 8.062 4.736 ( 3.770 5.057 5.020) 8.062 4.848 ( 1.343 -8.679 -0.946) 8.833 4.848 ( 1.343 8.679 -0.946) 8.833 5.087 ( 7.087 -7.358 3.142) 10.688 5.087 ( 7.087 7.358 3.142) 10.688 5.251 ( 3.417 -7.847 1.794) 8.745 5.251 ( 3.417 7.847 1.794) 8.745 5.632 ( 6.431 -16.446 2.956) 17.904 5.632 ( 6.431 16.446 2.956) 17.904 5.828 ( 6.688 -7.656 2.211) 10.403 5.828 ( 6.688 7.656 2.211) 10.403 6.110 ( -5.937 -14.817 6.479) 17.227 6.110 ( -5.937 14.817 6.479) 17.227 6.327 ( -2.734 -4.641 0.335) 5.397 6.327 ( -2.734 4.641 0.335) 5.397 6.444 ( -10.940 -6.798 -1.993) 13.034 6.444 ( -10.940 6.798 -1.993) 13.034 6.826 ( 1.551 -6.835 -14.029) 15.682 6.826 ( 1.551 6.835 -14.029) 15.682 7.073 ( -1.880 -11.241 2.831) 11.743 7.073 ( -1.880 11.241 2.831) 11.743 7.238 ( 0.194 -13.745 -0.822) 13.771 7.238 ( 0.194 13.745 -0.822) 13.771 7.353 ( -2.383 -3.424 -7.307) 8.414 7.353 ( -2.383 3.424 -7.307) 8.414 7.475 ( -6.372 -12.247 -0.676) 13.822 7.475 ( -6.372 12.247 -0.676) 13.822 7.682 ( -1.530 -5.177 1.072) 5.504 7.682 ( -1.530 5.177 1.072) 5.504 7.875 ( -3.014 -3.314 2.243) 5.010 7.875 ( -3.014 3.314 2.243) 5.010 8.172 ( 1.072 -4.323 3.165) 5.464 8.172 ( 1.072 4.323 3.165) 5.464 8.384 ( -8.534 -6.790 0.379) 10.912 8.384 ( -8.534 6.790 0.379) 10.912 8.490 ( -3.205 -3.963 3.283) 6.062 8.490 ( -3.205 3.963 3.283) 6.062 8.750 ( -5.490 -2.644 0.579) 6.121 8.750 ( -5.490 2.644 0.579) 6.121 9.942 ( 7.003 -4.485 -1.337) 8.423 9.942 ( 7.003 4.485 -1.337) 8.423 10.251 ( 7.893 -11.260 -10.428) 17.257 10.251 ( 7.893 11.260 -10.428) 17.257 10.859 ( -3.995 -8.345 8.647) 12.664 10.859 ( -3.995 8.345 8.647) 12.664 11.187 ( -9.008 -11.976 -0.358) 14.989 11.187 ( -9.008 11.976 -0.358) 14.989 17.514 ( 2.286 -5.251 0.367) 5.739 17.514 ( 2.286 5.251 0.367) 5.739 17.729 ( -1.294 -6.932 -5.685) 9.058 17.729 ( -1.294 6.932 -5.685) 9.058 18.654 ( 1.930 -2.989 6.389) 7.313 18.654 ( 1.930 2.989 6.389) 7.313 18.947 ( -3.846 -9.312 -1.660) 10.211 18.947 ( -3.846 9.312 -1.660) 10.211 20.915 ( -1.350 -15.802 0.692) 15.874 20.915 ( -1.350 15.802 0.692) 15.874 20.973 ( -2.841 -13.920 -0.480) 14.215 20.973 ( -2.841 13.920 -0.480) 14.215 ======================= Grid point 123 (49/75) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 4.233 -4.893 2.427) 6.910 1.821 ( 4.233 4.893 2.427) 6.910 1.961 ( -2.498 -4.504 -0.396) 5.165 1.961 ( -2.498 4.504 -0.396) 5.165 2.589 ( 4.937 -10.877 1.474) 12.035 2.589 ( 4.937 10.877 1.474) 12.035 2.788 ( -3.126 -2.753 -2.423) 4.819 2.788 ( -3.126 2.753 -2.423) 4.819 3.090 ( 2.903 -14.782 4.320) 15.671 3.090 ( 2.903 14.782 4.320) 15.671 3.172 ( -0.653 -12.091 3.688) 12.658 3.172 ( -0.653 12.091 3.688) 12.658 3.405 ( -0.275 -0.816 -7.302) 7.353 3.405 ( -0.275 0.816 -7.302) 7.353 3.483 ( -2.964 -0.387 -3.859) 4.881 3.483 ( -2.964 0.387 -3.859) 4.881 3.986 ( 6.793 -2.231 6.129) 9.418 3.986 ( 6.793 2.231 6.129) 9.418 4.199 ( 3.972 -6.863 -6.674) 10.365 4.199 ( 3.972 6.863 -6.674) 10.365 4.475 ( 0.552 -8.104 4.557) 9.314 4.475 ( 0.552 8.104 4.557) 9.314 4.607 ( 3.463 -10.618 -2.469) 11.439 4.607 ( 3.463 10.618 -2.469) 11.439 4.849 ( 5.530 -2.370 -2.903) 6.680 4.849 ( 5.530 2.370 -2.903) 6.680 4.895 ( 4.066 -6.369 -1.654) 7.735 4.895 ( 4.066 6.369 -1.654) 7.735 5.210 ( 8.260 -10.970 -0.172) 13.733 5.210 ( 8.260 10.970 -0.172) 13.733 5.372 ( 7.666 -7.907 3.302) 11.498 5.372 ( 7.666 7.907 3.302) 11.498 5.731 ( -5.336 -18.150 1.558) 18.982 5.731 ( -5.336 18.150 1.558) 18.982 5.921 ( 4.978 -10.040 6.474) 12.942 5.921 ( 4.978 10.040 6.474) 12.942 6.016 ( -4.081 -9.556 5.017) 11.539 6.016 ( -4.081 9.556 5.017) 11.539 6.173 ( -0.773 -7.879 4.516) 9.114 6.173 ( -0.772 7.879 4.516) 9.114 6.407 ( 2.571 -3.348 5.737) 7.123 6.407 ( 2.571 3.348 5.737) 7.123 6.844 ( -1.742 -12.126 -7.215) 14.217 6.844 ( -1.742 12.126 -7.215) 14.217 6.991 ( -6.530 -8.395 -0.198) 10.638 6.991 ( -6.530 8.395 -0.198) 10.638 7.138 ( -13.442 -11.553 0.904) 17.748 7.138 ( -13.442 11.553 0.904) 17.748 7.289 ( 2.412 -3.175 -7.152) 8.188 7.289 ( 2.412 3.175 -7.152) 8.188 7.412 ( -1.544 -2.480 -11.972) 12.323 7.412 ( -1.544 2.480 -11.972) 12.323 7.691 ( 2.597 -7.592 -4.646) 9.272 7.691 ( 2.597 7.592 -4.646) 9.272 7.828 ( -2.291 -6.707 -3.391) 7.857 7.828 ( -2.291 6.707 -3.391) 7.857 8.144 ( -2.847 -1.829 5.945) 6.840 8.144 ( -2.847 1.829 5.945) 6.840 8.243 ( -6.218 -8.170 4.966) 11.405 8.243 ( -6.218 8.170 4.966) 11.405 8.476 ( 2.414 -5.354 5.171) 7.826 8.476 ( 2.414 5.354 5.171) 7.826 8.656 ( -4.791 -4.820 0.771) 6.840 8.656 ( -4.791 4.820 0.771) 6.840 10.101 ( 9.192 -5.635 -2.746) 11.126 10.101 ( 9.192 5.635 -2.746) 11.126 10.348 ( 0.877 -8.315 -11.445) 14.173 10.348 ( 0.877 8.315 -11.445) 14.173 10.805 ( -0.394 -14.295 9.713) 17.287 10.805 ( -0.394 14.295 9.713) 17.287 11.013 ( -8.682 -15.553 1.670) 17.890 11.013 ( -8.682 15.553 1.670) 17.890 17.568 ( 3.205 -2.651 -0.345) 4.173 17.568 ( 3.205 2.651 -0.345) 4.173 17.692 ( -2.609 -3.899 -3.640) 5.938 17.692 ( -2.609 3.899 -3.640) 5.938 18.704 ( 3.274 -4.106 3.747) 6.451 18.704 ( 3.274 4.106 3.747) 6.451 18.865 ( -4.592 -7.715 -0.493) 8.992 18.865 ( -4.592 7.715 -0.493) 8.992 20.894 ( -0.705 -16.547 0.398) 16.567 20.894 ( -0.705 16.547 0.398) 16.567 20.922 ( -2.233 -15.622 -0.183) 15.781 20.922 ( -2.233 15.622 -0.183) 15.781 ======================= Grid point 125 (50/75) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -3.741 -4.944 1.235) 6.322 1.899 ( 3.578 -4.914 1.235) 6.203 1.899 ( -3.578 4.914 1.235) 6.203 1.899 ( 3.741 4.944 1.235) 6.322 2.701 ( -5.832 -3.955 -0.561) 7.068 2.701 ( 5.527 -3.844 -0.561) 6.756 2.701 ( -5.527 3.844 -0.561) 6.756 2.701 ( 5.832 3.955 -0.561) 7.069 3.140 ( -2.257 -13.635 4.171) 14.436 3.140 ( 2.255 -13.635 4.171) 14.436 3.140 ( -2.255 13.635 4.171) 14.436 3.140 ( 2.257 13.635 4.171) 14.436 3.421 ( -1.686 -1.274 -4.179) 4.683 3.421 ( -1.177 -1.122 -4.179) 4.484 3.421 ( 1.177 1.122 -4.179) 4.484 3.421 ( 1.686 1.274 -4.179) 4.683 4.145 ( -7.958 -3.711 0.418) 8.791 4.145 ( -2.927 0.285 0.418) 2.970 4.145 ( 2.927 -0.285 0.418) 2.970 4.145 ( 7.958 3.711 0.418) 8.791 4.558 ( -6.103 -13.745 -1.325) 15.097 4.558 ( 5.364 -13.668 -1.325) 14.742 4.558 ( -5.364 13.668 -1.325) 14.742 4.558 ( 6.103 13.745 -1.325) 15.097 4.930 ( -1.839 -6.662 -3.238) 7.633 4.930 ( 1.346 -6.633 -3.238) 7.503 4.930 ( -1.346 6.633 -3.238) 7.503 4.930 ( 1.839 6.662 -3.238) 7.633 5.418 ( -4.191 -12.417 -0.019) 13.105 5.418 ( -2.491 -12.302 -0.019) 12.551 5.418 ( 2.491 12.302 -0.019) 12.551 5.418 ( 4.191 12.417 -0.019) 13.105 5.685 ( -9.334 -11.623 5.253) 15.805 5.685 ( 3.776 -10.811 5.253) 12.599 5.685 ( -3.776 10.811 5.253) 12.599 5.685 ( 9.334 11.623 5.253) 15.805 6.189 ( -2.290 -3.755 6.956) 8.230 6.189 ( 0.377 -3.581 6.956) 7.833 6.189 ( -0.377 3.581 6.956) 7.833 6.189 ( 2.290 3.755 6.956) 8.230 6.588 ( -18.081 -17.203 5.025) 25.458 6.588 ( 18.073 -17.201 5.025) 25.451 6.588 ( -18.073 17.201 5.025) 25.451 6.588 ( 18.081 17.203 5.025) 25.458 6.975 ( -3.887 -9.464 -3.546) 10.828 6.975 ( 3.296 -9.408 -3.546) 10.580 6.975 ( -3.296 9.408 -3.546) 10.580 6.975 ( 3.887 9.464 -3.546) 10.828 7.359 ( -3.394 -2.257 -11.680) 12.371 7.359 ( -0.630 -1.521 -11.680) 11.796 7.359 ( 0.630 1.521 -11.680) 11.796 7.359 ( 3.394 2.257 -11.680) 12.371 7.765 ( -2.850 -13.181 -7.638) 15.498 7.765 ( 1.925 -13.139 -7.638) 15.319 7.765 ( -1.925 13.139 -7.638) 15.319 7.765 ( 2.850 13.181 -7.638) 15.498 8.142 ( -3.050 -4.785 8.533) 10.248 8.142 ( 2.451 -4.698 8.533) 10.045 8.142 ( -2.451 4.698 8.533) 10.045 8.142 ( 3.050 4.785 8.533) 10.248 8.558 ( -5.181 -6.336 3.143) 8.767 8.558 ( 5.013 -6.302 3.143) 8.645 8.558 ( -5.013 6.302 3.143) 8.645 8.558 ( 5.181 6.336 3.143) 8.767 10.272 ( -7.667 -6.609 -6.626) 12.098 10.272 ( 7.561 -6.578 -6.626) 12.014 10.272 ( -7.561 6.578 -6.626) 12.014 10.272 ( 7.667 6.609 -6.626) 12.098 10.866 ( -6.077 -17.649 5.262) 19.393 10.866 ( 6.010 -17.644 5.262) 19.367 10.866 ( -6.010 17.644 5.262) 19.367 10.866 ( 6.077 17.649 5.262) 19.393 17.633 ( -3.393 -0.555 -1.700) 3.836 17.633 ( -3.391 0.553 -1.700) 3.834 17.633 ( 3.391 -0.553 -1.700) 3.834 17.633 ( 3.393 0.555 -1.700) 3.836 18.778 ( -4.327 -5.888 1.314) 7.425 18.778 ( 4.306 -5.885 1.314) 7.409 18.778 ( -4.306 5.885 1.314) 7.409 18.778 ( 4.327 5.888 1.314) 7.425 20.893 ( -0.722 -16.865 0.106) 16.881 20.893 ( 0.721 -16.865 0.106) 16.881 20.893 ( -0.721 16.865 0.106) 16.881 20.893 ( 0.722 16.865 0.106) 16.881 ======================= Grid point 162 (51/75) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 0.000 14.491) 14.491 1.222 ( 0.000 0.000 -4.157) 4.157 1.247 ( 0.000 0.000 28.484) 28.484 1.612 ( 0.000 0.000 17.535) 17.535 1.693 ( 0.000 0.000 -11.145) 11.145 1.943 ( 0.000 0.000 34.977) 34.977 2.009 ( 0.000 0.000 -17.539) 17.539 2.141 ( 0.000 0.000 6.051) 6.051 2.189 ( 0.000 0.000 -2.644) 2.644 2.517 ( 0.000 0.000 -9.755) 9.755 2.646 ( 0.000 0.000 -5.463) 5.463 2.661 ( 0.000 0.000 -3.974) 3.974 3.293 ( 0.000 0.000 0.454) 0.454 3.319 ( 0.000 0.000 -1.909) 1.909 3.408 ( 0.000 0.000 -4.948) 4.948 3.452 ( 0.000 0.000 -13.276) 13.276 3.462 ( 0.000 0.000 -0.075) 0.075 3.464 ( 0.000 0.000 -0.334) 0.334 3.755 ( 0.000 0.000 2.610) 2.610 3.817 ( 0.000 0.000 -4.299) 4.299 4.044 ( 0.000 0.000 -0.594) 0.594 4.069 ( 0.000 0.000 -3.226) 3.226 4.446 ( 0.000 0.000 15.878) 15.878 4.541 ( 0.000 0.000 6.899) 6.899 4.661 ( 0.000 0.000 -2.735) 2.735 4.684 ( 0.000 0.000 -5.513) 5.513 4.859 ( 0.000 0.000 0.577) 0.577 4.871 ( 0.000 0.000 -0.546) 0.546 5.075 ( 0.000 0.000 -7.958) 7.958 5.085 ( 0.000 0.000 -7.912) 7.912 5.328 ( 0.000 0.000 9.194) 9.194 5.460 ( 0.000 0.000 -1.528) 1.528 5.663 ( 0.000 0.000 -2.886) 2.886 5.676 ( 0.000 0.000 -2.523) 2.523 5.802 ( 0.000 0.000 1.808) 1.808 5.837 ( 0.000 0.000 -1.702) 1.702 6.047 ( 0.000 0.000 2.113) 2.113 6.132 ( 0.000 0.000 -6.418) 6.418 6.173 ( 0.000 0.000 8.588) 8.588 6.373 ( 0.000 0.000 13.149) 13.149 6.397 ( 0.000 0.000 -13.807) 13.807 6.401 ( 0.000 0.000 5.693) 5.693 6.496 ( 0.000 0.000 -3.855) 3.855 6.654 ( 0.000 0.000 -14.344) 14.344 6.876 ( 0.000 0.000 10.045) 10.045 7.088 ( 0.000 0.000 -10.957) 10.957 7.517 ( 0.000 0.000 7.149) 7.149 7.539 ( 0.000 0.000 4.885) 4.885 7.553 ( 0.000 0.000 12.322) 12.322 7.634 ( 0.000 0.000 6.614) 6.614 7.705 ( 0.000 0.000 -0.415) 0.415 7.754 ( 0.000 0.000 -8.001) 8.001 8.097 ( 0.000 0.000 0.820) 0.820 8.102 ( 0.000 0.000 4.532) 4.532 8.116 ( 0.000 0.000 3.644) 3.644 8.186 ( 0.000 0.000 -2.876) 2.876 8.247 ( 0.000 0.000 12.488) 12.488 8.510 ( 0.000 0.000 -12.532) 12.532 8.511 ( 0.000 0.000 4.763) 4.763 8.697 ( 0.000 0.000 2.481) 2.481 8.737 ( 0.000 0.000 -14.455) 14.455 8.744 ( 0.000 0.000 -2.181) 2.181 9.155 ( 0.000 0.000 0.387) 0.387 9.187 ( 0.000 0.000 -0.784) 0.784 9.513 ( 0.000 0.000 -1.700) 1.700 9.514 ( 0.000 0.000 -0.044) 0.044 9.561 ( 0.000 0.000 0.053) 0.053 9.600 ( 0.000 0.000 -4.345) 4.345 10.442 ( 0.000 0.000 8.596) 8.596 10.581 ( 0.000 0.000 -5.542) 5.542 11.214 ( 0.000 0.000 7.588) 7.588 11.344 ( 0.000 0.000 -5.457) 5.457 17.234 ( 0.000 0.000 0.875) 0.875 17.257 ( 0.000 0.000 -1.448) 1.448 18.167 ( 0.000 0.000 0.057) 0.057 18.168 ( 0.000 0.000 -0.057) 0.057 18.554 ( 0.000 0.000 0.369) 0.369 18.557 ( 0.000 0.000 0.146) 0.146 19.032 ( 0.000 0.000 8.527) 8.527 19.229 ( 0.000 0.000 -11.340) 11.340 20.188 ( 0.000 0.000 9.908) 9.908 20.356 ( 0.000 0.000 -7.151) 7.151 21.481 ( 0.000 0.000 0.072) 0.072 21.483 ( 0.000 0.000 -0.078) 0.078 ======================= Grid point 163 (52/75) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 5.325 0.000 11.458) 12.635 1.266 ( 4.072 0.000 -4.560) 6.114 1.378 ( 12.513 0.000 25.698) 28.582 1.753 ( 4.892 0.000 -4.404) 6.582 1.859 ( 23.104 0.000 15.088) 27.594 2.018 ( 3.170 0.000 8.436) 9.012 2.180 ( -0.020 0.000 -8.187) 8.187 2.188 ( 17.149 0.000 -14.719) 22.600 2.300 ( 18.827 0.000 22.422) 29.278 2.631 ( 11.941 0.000 -5.159) 13.008 2.672 ( 3.074 0.000 -1.763) 3.544 2.729 ( 6.326 0.000 -7.024) 9.452 3.190 ( -7.002 0.000 1.332) 7.128 3.236 ( -6.389 0.000 -3.121) 7.110 3.277 ( -10.913 0.000 1.985) 11.092 3.411 ( -6.390 0.000 -12.342) 13.898 3.498 ( 1.135 0.000 0.971) 1.493 3.509 ( 2.753 0.000 -0.208) 2.761 3.765 ( 4.661 0.000 5.680) 7.348 3.923 ( 8.409 0.000 -10.120) 13.158 4.036 ( -0.007 0.000 -0.625) 0.625 4.065 ( 0.148 0.000 -3.623) 3.626 4.250 ( -13.182 0.000 15.990) 20.723 4.509 ( -8.970 0.000 -8.523) 12.373 4.612 ( -3.070 0.000 -1.414) 3.380 4.654 ( -3.028 0.000 -5.205) 6.021 4.941 ( 6.726 0.000 0.188) 6.729 4.948 ( 6.067 0.000 -0.535) 6.090 5.040 ( 4.522 0.000 9.251) 10.297 5.244 ( 4.668 0.000 -8.722) 9.892 5.381 ( 5.372 0.000 8.932) 10.423 5.454 ( -0.312 0.000 2.012) 2.036 5.638 ( -2.539 0.000 -2.187) 3.351 5.698 ( -8.924 0.000 5.593) 10.532 5.705 ( -0.590 0.000 -7.209) 7.234 5.828 ( -2.401 0.000 -7.687) 8.054 6.044 ( 1.000 0.000 1.125) 1.506 6.083 ( -2.308 0.000 -2.907) 3.711 6.226 ( 5.087 0.000 3.253) 6.038 6.358 ( -1.792 0.000 0.087) 1.794 6.404 ( -0.217 0.000 2.947) 2.955 6.444 ( 3.767 0.000 2.275) 4.400 6.477 ( -1.624 0.000 -3.977) 4.296 6.725 ( 5.710 0.000 -17.724) 18.622 6.979 ( 9.116 0.000 9.151) 12.916 7.157 ( 6.049 0.000 -8.838) 10.710 7.360 ( -10.413 0.000 6.717) 12.391 7.406 ( -9.556 0.000 2.417) 9.857 7.539 ( -1.308 0.000 12.030) 12.101 7.727 ( 4.320 0.000 5.900) 7.312 7.743 ( -1.082 0.000 -8.201) 8.272 7.788 ( 5.076 0.000 0.207) 5.080 7.996 ( -4.826 0.000 9.566) 10.714 8.105 ( -1.038 0.000 3.427) 3.580 8.148 ( -0.158 0.000 -4.733) 4.736 8.181 ( -0.580 0.000 -3.550) 3.597 8.336 ( 2.791 0.000 12.914) 13.212 8.438 ( -0.200 0.000 4.425) 4.430 8.591 ( -0.652 0.000 -9.000) 9.024 8.625 ( -3.901 0.000 -14.572) 15.085 8.721 ( 2.346 0.000 2.623) 3.519 8.767 ( 2.285 0.000 -2.047) 3.068 9.014 ( -8.581 0.000 1.567) 8.723 9.086 ( -9.586 0.000 -5.029) 10.825 9.552 ( 7.546 0.000 6.195) 9.763 9.576 ( 1.580 0.000 0.242) 1.598 9.615 ( 1.609 0.000 -4.094) 4.399 9.711 ( 9.962 0.000 -9.585) 13.824 10.403 ( -3.947 0.000 8.299) 9.190 10.538 ( -4.426 0.000 -5.368) 6.958 11.236 ( 2.008 0.000 8.249) 8.490 11.355 ( 0.697 0.000 -3.266) 3.340 17.302 ( 6.878 0.000 2.094) 7.190 17.378 ( 10.789 0.000 -6.434) 12.561 18.167 ( -0.006 0.000 0.050) 0.050 18.168 ( -0.019 0.000 -0.050) 0.054 18.552 ( -0.251 0.000 0.393) 0.466 18.556 ( 0.235 0.000 -0.019) 0.235 19.020 ( -1.456 0.000 7.988) 8.119 19.204 ( -2.626 0.000 -10.585) 10.905 20.073 ( -10.986 0.000 7.307) 13.194 20.143 ( -17.025 0.000 1.123) 17.062 21.519 ( 3.289 0.000 1.194) 3.499 21.557 ( 5.026 0.000 -2.876) 5.791 ======================= Grid point 164 (53/75) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 6.365 0.000 5.783) 8.600 1.350 ( 3.890 0.000 -5.175) 6.474 1.674 ( 16.766 0.000 17.123) 23.965 1.824 ( 2.096 0.000 6.443) 6.775 2.042 ( -0.699 0.000 1.931) 2.054 2.197 ( 4.109 0.000 -15.513) 16.048 2.370 ( 26.394 0.000 8.888) 27.851 2.544 ( 14.519 0.000 -8.153) 16.651 2.768 ( 7.436 0.000 2.749) 7.928 2.791 ( 22.976 0.000 12.272) 26.049 2.879 ( 7.682 0.000 -8.676) 11.588 2.887 ( 7.269 0.000 -0.751) 7.308 3.074 ( -3.172 0.000 10.481) 10.951 3.121 ( 2.701 0.000 2.086) 3.412 3.168 ( 2.720 0.000 -2.516) 3.705 3.319 ( 3.383 0.000 -10.529) 11.059 3.483 ( -2.295 0.000 3.460) 4.152 3.538 ( 0.744 0.000 -1.967) 2.103 3.908 ( 8.656 0.000 5.780) 10.408 4.011 ( -10.987 0.000 12.847) 16.904 4.051 ( 1.499 0.000 -1.257) 1.957 4.087 ( 2.322 0.000 -3.357) 4.082 4.101 ( 8.867 0.000 -10.320) 13.606 4.276 ( -13.165 0.000 -13.491) 18.850 4.555 ( -3.123 0.000 -2.001) 3.709 4.580 ( -4.666 0.000 -3.787) 6.009 5.049 ( 3.596 0.000 1.275) 3.816 5.051 ( -9.208 0.000 6.829) 11.464 5.069 ( 5.849 0.000 -0.542) 5.874 5.147 ( -14.903 0.000 -3.370) 15.279 5.434 ( -2.000 0.000 4.619) 5.034 5.514 ( -9.531 0.000 1.962) 9.730 5.525 ( 7.729 0.000 7.015) 10.437 5.570 ( 0.177 0.000 12.828) 12.830 5.701 ( 1.542 0.000 -6.931) 7.101 5.819 ( 2.401 0.000 -10.977) 11.237 6.080 ( 1.763 0.000 0.814) 1.942 6.101 ( 3.901 0.000 -0.979) 4.022 6.237 ( -7.905 0.000 1.011) 7.969 6.316 ( -0.282 0.000 -7.261) 7.267 6.390 ( -1.102 0.000 0.352) 1.157 6.444 ( -1.697 0.000 -4.269) 4.594 6.536 ( 5.895 0.000 8.944) 10.712 6.822 ( 4.361 0.000 -18.835) 19.333 7.165 ( 9.070 0.000 6.575) 11.203 7.173 ( -8.579 0.000 5.439) 10.158 7.259 ( -5.153 0.000 -2.833) 5.881 7.274 ( 5.127 0.000 -4.607) 6.893 7.516 ( -0.526 0.000 10.638) 10.651 7.715 ( -1.778 0.000 -7.718) 7.921 7.760 ( -0.965 0.000 6.079) 6.155 7.837 ( -2.094 0.000 -1.010) 2.325 7.902 ( -3.819 0.000 11.867) 12.467 8.083 ( -1.012 0.000 2.067) 2.301 8.119 ( -2.497 0.000 -8.611) 8.966 8.162 ( -1.375 0.000 -4.837) 5.029 8.267 ( -3.370 0.000 7.854) 8.547 8.377 ( -9.675 0.000 -2.818) 10.077 8.588 ( 7.439 0.000 5.118) 9.029 8.679 ( -2.128 0.000 -2.171) 3.040 8.780 ( 3.530 0.000 2.679) 4.432 8.822 ( 3.007 0.000 -1.565) 3.390 8.883 ( -4.394 0.000 -0.505) 4.423 8.972 ( 0.737 0.000 -8.268) 8.301 9.626 ( 3.713 0.000 0.893) 3.818 9.667 ( 3.986 0.000 -3.549) 5.337 9.687 ( 5.891 0.000 2.301) 6.324 9.852 ( 4.549 0.000 -12.996) 13.769 10.297 ( -6.920 0.000 7.372) 10.111 10.417 ( -7.939 0.000 -4.843) 9.300 11.276 ( 1.777 0.000 8.449) 8.634 11.359 ( -0.296 0.000 0.335) 0.447 17.472 ( 10.009 0.000 3.197) 10.507 17.597 ( 10.525 0.000 -10.515) 14.877 18.166 ( -0.010 0.000 0.033) 0.034 18.167 ( -0.030 0.000 -0.034) 0.045 18.551 ( 0.428 0.000 1.311) 1.379 18.577 ( 2.183 0.000 -1.290) 2.536 18.968 ( -4.055 0.000 7.307) 8.357 19.130 ( -5.006 0.000 -9.120) 10.404 19.811 ( -13.011 0.000 8.284) 15.424 19.869 ( -11.740 0.000 1.779) 11.874 21.578 ( 2.458 0.000 1.686) 2.981 21.622 ( 1.736 0.000 -2.800) 3.295 ======================= Grid point 165 (54/75) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.543 0.000 0.006) 3.543 1.396 ( 0.742 0.000 -5.699) 5.747 1.837 ( 0.999 0.000 7.323) 7.391 1.902 ( 0.610 0.000 0.836) 1.035 2.116 ( 14.255 0.000 11.116) 18.077 2.339 ( 9.461 0.000 -10.969) 14.485 2.686 ( 4.677 0.000 2.880) 5.492 2.744 ( 11.125 0.000 -1.936) 11.292 2.747 ( -12.768 0.000 0.729) 12.789 2.775 ( -11.738 0.000 -2.209) 11.944 2.860 ( 0.539 0.000 2.664) 2.718 2.940 ( -0.905 0.000 -4.336) 4.429 3.376 ( 18.466 0.000 5.596) 19.295 3.420 ( 12.456 0.000 6.562) 14.079 3.463 ( 7.095 0.000 -1.387) 7.229 3.490 ( 26.873 0.000 7.620) 27.932 3.580 ( 6.174 0.000 -3.928) 7.318 3.633 ( 22.164 0.000 -6.012) 22.965 3.860 ( -3.072 0.000 5.342) 6.162 4.021 ( 1.537 0.000 3.433) 3.762 4.052 ( -8.259 0.000 -11.140) 13.868 4.097 ( 2.951 0.000 -2.146) 3.649 4.165 ( 6.327 0.000 0.868) 6.386 4.235 ( 4.224 0.000 -3.744) 5.645 4.469 ( -5.498 0.000 -0.504) 5.521 4.503 ( -3.149 0.000 -3.949) 5.050 4.699 ( -23.881 0.000 1.269) 23.914 4.752 ( -23.863 0.000 -3.893) 24.178 5.082 ( 0.471 0.000 3.701) 3.731 5.150 ( 2.753 0.000 -2.280) 3.575 5.288 ( -11.772 0.000 4.481) 12.596 5.356 ( -7.597 0.000 -1.580) 7.760 5.647 ( 4.522 0.000 12.377) 13.177 5.685 ( 8.342 0.000 13.286) 15.688 5.736 ( 0.238 0.000 3.783) 3.791 5.863 ( 0.718 0.000 -3.562) 3.633 6.100 ( -2.467 0.000 -4.836) 5.429 6.125 ( 2.553 0.000 3.042) 3.971 6.166 ( 2.073 0.000 0.335) 2.100 6.253 ( -5.747 0.000 -14.424) 15.527 6.372 ( -0.297 0.000 -3.641) 3.653 6.413 ( -1.554 0.000 -5.719) 5.926 6.677 ( 8.714 0.000 8.974) 12.509 6.911 ( 4.198 0.000 -13.104) 13.760 7.038 ( -4.876 0.000 2.961) 5.705 7.184 ( -3.835 0.000 -9.293) 10.053 7.296 ( 4.254 0.000 3.392) 5.441 7.336 ( 1.389 0.000 -0.405) 1.447 7.539 ( 3.037 0.000 7.014) 7.644 7.675 ( -2.559 0.000 -4.183) 4.903 7.687 ( -4.979 0.000 3.482) 6.076 7.728 ( -6.430 0.000 -0.592) 6.457 7.891 ( 2.135 0.000 12.244) 12.429 8.066 ( -3.430 0.000 -3.646) 5.006 8.075 ( 0.248 0.000 -1.114) 1.142 8.130 ( -1.921 0.000 -5.466) 5.794 8.225 ( -1.432 0.000 4.984) 5.186 8.264 ( -3.534 0.000 0.033) 3.534 8.554 ( -2.983 0.000 5.281) 6.065 8.658 ( -4.072 0.000 -4.481) 6.055 8.844 ( 2.806 0.000 2.070) 3.487 8.869 ( 1.648 0.000 -0.566) 1.743 8.905 ( 6.630 0.000 6.292) 9.140 9.037 ( 2.535 0.000 -5.744) 6.278 9.719 ( 5.804 0.000 1.901) 6.107 9.765 ( 5.627 0.000 -2.751) 6.264 9.780 ( 4.095 0.000 -4.021) 5.739 9.890 ( -0.413 0.000 -13.390) 13.396 10.155 ( -6.947 0.000 5.380) 8.786 10.246 ( -9.267 0.000 -3.815) 10.022 11.303 ( 1.140 0.000 7.144) 7.235 11.345 ( -1.042 0.000 2.896) 3.078 17.656 ( 8.296 0.000 1.449) 8.422 17.747 ( 4.575 0.000 -8.342) 9.514 18.166 ( -0.007 0.000 0.014) 0.016 18.167 ( -0.024 0.000 -0.017) 0.029 18.578 ( 2.587 0.000 3.509) 4.360 18.640 ( 3.641 0.000 -2.026) 4.167 18.875 ( -4.575 0.000 5.410) 7.085 19.013 ( -7.085 0.000 -8.085) 10.749 19.636 ( -5.149 0.000 6.449) 8.252 19.684 ( -7.105 0.000 1.451) 7.252 21.611 ( 1.121 0.000 0.952) 1.471 21.635 ( -0.112 0.000 -1.369) 1.374 ======================= Grid point 166 (55/75) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -1.608 0.000 -4.254) 4.548 1.385 ( 1.608 0.000 -4.254) 4.548 1.865 ( -2.173 0.000 3.576) 4.185 1.865 ( 2.173 0.000 3.576) 4.185 2.435 ( -14.470 0.000 4.883) 15.272 2.435 ( 14.470 0.000 4.883) 15.272 2.558 ( -8.497 0.000 -5.505) 10.124 2.558 ( 8.497 0.000 -5.505) 10.124 2.785 ( -5.050 0.000 3.426) 6.103 2.785 ( 5.050 0.000 3.426) 6.103 2.892 ( -3.719 0.000 -2.527) 4.496 2.892 ( 3.719 0.000 -2.527) 4.496 3.486 ( -3.497 0.000 6.137) 7.064 3.486 ( 3.497 0.000 6.137) 7.064 3.676 ( -8.808 0.000 -2.311) 9.107 3.676 ( 8.808 0.000 -2.311) 9.107 3.843 ( -7.430 0.000 -3.362) 8.155 3.843 ( 7.430 0.000 -3.362) 8.155 4.018 ( -11.894 0.000 0.928) 11.930 4.018 ( 11.894 0.000 0.928) 11.930 4.078 ( -6.379 0.000 -1.506) 6.554 4.078 ( 6.379 0.000 -1.506) 6.554 4.265 ( -3.024 0.000 0.608) 3.085 4.265 ( 3.024 0.000 0.608) 3.085 4.361 ( -6.104 0.000 -6.365) 8.819 4.361 ( 6.104 0.000 -6.365) 8.819 4.427 ( -3.893 0.000 2.510) 4.632 4.427 ( 3.893 0.000 2.510) 4.632 5.113 ( -4.616 0.000 5.160) 6.923 5.113 ( 4.616 0.000 5.160) 6.923 5.212 ( -5.235 0.000 -3.379) 6.231 5.212 ( 5.235 0.000 -3.379) 6.231 5.710 ( -2.266 0.000 13.174) 13.368 5.710 ( 2.266 0.000 13.174) 13.368 5.822 ( -5.057 0.000 6.293) 8.073 5.822 ( 5.057 0.000 6.293) 8.073 6.142 ( -4.941 0.000 -14.708) 15.516 6.142 ( 4.941 0.000 -14.708) 15.516 6.168 ( -1.569 0.000 3.326) 3.677 6.168 ( 1.569 0.000 3.326) 3.677 6.385 ( -1.340 0.000 -6.880) 7.009 6.385 ( 1.340 0.000 -6.880) 7.009 6.850 ( -8.317 0.000 5.690) 10.077 6.850 ( 8.317 0.000 5.690) 10.077 7.083 ( -6.343 0.000 -12.176) 13.729 7.083 ( 6.343 0.000 -12.176) 13.729 7.339 ( -0.817 0.000 1.492) 1.701 7.339 ( 0.817 0.000 1.492) 1.701 7.612 ( -3.909 0.000 1.725) 4.272 7.612 ( 3.909 0.000 1.725) 4.272 7.645 ( -1.391 0.000 1.366) 1.950 7.645 ( 1.391 0.000 1.366) 1.950 7.971 ( -5.619 0.000 7.067) 9.028 7.971 ( 5.619 0.000 7.067) 9.028 8.094 ( -1.620 0.000 -4.326) 4.619 8.094 ( 1.620 0.000 -4.326) 4.619 8.218 ( -0.985 0.000 2.272) 2.476 8.218 ( 0.985 0.000 2.272) 2.476 8.570 ( -3.714 0.000 -0.957) 3.836 8.570 ( 3.714 0.000 -0.957) 3.836 8.879 ( -0.710 0.000 0.812) 1.079 8.879 ( 0.710 0.000 0.812) 1.079 9.022 ( -4.051 0.000 2.165) 4.593 9.022 ( 4.051 0.000 2.165) 4.593 9.817 ( -2.352 0.000 0.957) 2.539 9.817 ( 2.352 0.000 0.957) 2.539 9.851 ( -3.170 0.000 -10.379) 10.852 9.851 ( 3.170 0.000 -10.379) 10.852 10.102 ( -3.597 0.000 -0.416) 3.621 10.102 ( 3.597 0.000 -0.416) 3.621 11.324 ( -1.127 0.000 5.065) 5.189 11.324 ( 1.127 0.000 5.065) 5.189 17.765 ( -2.628 0.000 -3.224) 4.159 17.765 ( 2.628 0.000 -3.224) 4.159 18.166 ( -0.008 0.000 -0.001) 0.008 18.166 ( 0.008 0.000 -0.001) 0.008 18.645 ( -3.430 0.000 4.553) 5.700 18.645 ( 3.430 0.000 4.553) 5.700 18.879 ( -5.551 0.000 -5.012) 7.479 18.879 ( 5.551 0.000 -5.012) 7.479 19.602 ( -1.359 0.000 3.443) 3.702 19.602 ( 1.359 0.000 3.443) 3.702 21.627 ( -0.600 0.000 -0.124) 0.613 21.627 ( 0.600 0.000 -0.124) 0.613 ======================= Grid point 171 (56/75) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 0.000 13.206 17.910) 22.252 1.355 ( 0.000 18.013 18.561) 25.864 1.671 ( 0.000 27.254 1.082) 27.275 1.677 ( 0.000 2.837 -2.225) 3.606 1.936 ( 0.000 20.890 5.392) 21.574 2.063 ( 0.000 4.111 -5.485) 6.855 2.098 ( 0.000 14.221 2.650) 14.466 2.200 ( 0.000 2.348 -11.228) 11.471 2.290 ( 0.000 17.113 9.008) 19.339 2.392 ( 0.000 -3.417 -0.214) 3.424 2.765 ( 0.000 9.819 0.976) 9.867 2.856 ( 0.000 12.394 -2.793) 12.705 3.226 ( 0.000 -4.331 2.470) 4.986 3.330 ( 0.000 -0.803 -5.744) 5.800 3.404 ( 0.000 -1.710 -0.006) 1.710 3.485 ( 0.000 4.600 0.290) 4.609 3.513 ( 0.000 3.680 -1.174) 3.863 3.542 ( 0.000 8.012 -16.088) 17.972 3.733 ( 0.000 -0.077 3.410) 3.411 3.803 ( 0.000 -0.830 -4.411) 4.489 4.053 ( 0.000 0.862 0.106) 0.868 4.067 ( 0.000 0.088 -1.240) 1.243 4.382 ( 0.000 -4.287 8.051) 9.121 4.489 ( 0.000 -4.403 4.504) 6.299 4.563 ( 0.000 -9.374 -2.443) 9.687 4.672 ( 0.000 -3.045 -4.156) 5.152 4.811 ( 0.000 -4.216 0.682) 4.271 4.832 ( 0.000 -3.131 -0.836) 3.240 5.079 ( 0.000 2.779 0.615) 2.847 5.175 ( 0.000 6.938 -7.279) 10.056 5.371 ( 0.000 2.825 7.156) 7.693 5.449 ( 0.000 -0.941 2.234) 2.424 5.636 ( 0.000 -2.161 -1.280) 2.512 5.659 ( 0.000 -1.661 -2.720) 3.187 5.841 ( 0.000 1.547 -2.424) 2.876 5.842 ( 0.000 -0.221 -1.574) 1.589 6.009 ( 0.000 -0.466 1.008) 1.110 6.101 ( 0.000 -4.066 7.415) 8.457 6.105 ( 0.000 -1.840 -8.618) 8.812 6.277 ( 0.000 -6.006 -9.903) 11.582 6.458 ( 0.000 8.371 10.814) 13.675 6.564 ( 0.000 9.776 8.928) 13.239 6.631 ( 0.000 8.177 -6.871) 10.680 6.731 ( 0.000 2.640 2.161) 3.412 6.825 ( 0.000 -1.340 -2.639) 2.960 7.007 ( 0.000 -5.896 -11.309) 12.754 7.462 ( 0.000 -4.465 7.987) 9.150 7.483 ( 0.000 -6.715 12.338) 14.047 7.517 ( 0.000 -2.066 3.411) 3.988 7.705 ( 0.000 -4.271 -4.957) 6.543 7.717 ( 0.000 6.195 4.673) 7.760 7.751 ( 0.000 0.614 -3.545) 3.598 8.009 ( 0.000 -4.464 5.096) 6.775 8.074 ( 0.000 -2.577 6.390) 6.890 8.113 ( 0.000 -3.189 -5.258) 6.149 8.135 ( 0.000 1.454 -2.091) 2.547 8.261 ( 0.000 -2.850 2.530) 3.811 8.373 ( 0.000 -3.873 -6.153) 7.270 8.474 ( 0.000 -0.929 7.214) 7.274 8.643 ( 0.000 -6.553 -8.292) 10.569 8.886 ( 0.000 6.571 5.597) 8.632 9.042 ( 0.000 1.767 -7.917) 8.111 9.111 ( 0.000 -5.496 2.048) 5.866 9.142 ( 0.000 12.118 -5.935) 13.493 9.336 ( 0.000 -11.679 4.387) 12.475 9.442 ( 0.000 -3.391 -7.057) 7.829 9.611 ( 0.000 4.232 1.317) 4.432 9.698 ( 0.000 7.603 -7.676) 10.804 10.584 ( 0.000 11.159 7.701) 13.558 10.705 ( 0.000 10.269 -4.672) 11.281 11.226 ( 0.000 1.044 7.690) 7.761 11.365 ( 0.000 1.674 -6.432) 6.647 17.248 ( 0.000 1.422 1.240) 1.886 17.279 ( 0.000 2.167 -1.885) 2.873 18.064 ( 0.000 -8.743 -0.219) 8.746 18.072 ( 0.000 -7.282 -1.618) 7.460 18.568 ( 0.000 1.287 0.943) 1.595 18.580 ( 0.000 2.338 -0.330) 2.361 19.142 ( 0.000 5.960 8.080) 10.041 19.318 ( 0.000 5.461 -9.968) 11.366 20.194 ( 0.000 2.399 8.617) 8.945 20.328 ( 0.000 0.155 -4.610) 4.612 21.454 ( 0.000 -2.800 0.052) 2.801 21.455 ( 0.000 -2.623 -0.015) 2.623 ======================= Grid point 172 (57/75) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 6.861 18.784 13.693) 24.237 1.442 ( 11.918 12.747 15.678) 23.459 1.662 ( 0.329 24.678 1.288) 24.714 1.760 ( 5.827 1.106 0.642) 5.965 1.973 ( 4.718 10.304 9.200) 14.597 2.095 ( 1.432 0.494 -1.449) 2.097 2.134 ( 5.328 8.163 -6.501) 11.717 2.274 ( 9.490 5.448 -17.331) 20.496 2.473 ( 17.293 12.488 12.848) 24.901 2.556 ( 13.638 2.160 0.270) 13.810 2.802 ( 3.820 9.606 2.212) 10.572 2.902 ( 4.474 11.327 -2.546) 12.442 3.171 ( -4.149 -0.777 3.871) 5.728 3.237 ( -8.204 1.536 -1.351) 8.455 3.318 ( -5.643 0.849 0.249) 5.712 3.469 ( -2.928 6.368 -9.504) 11.808 3.546 ( 3.428 3.958 0.194) 5.240 3.596 ( 3.022 8.760 -5.902) 10.986 3.746 ( 3.407 -0.687 5.819) 6.777 3.897 ( 7.662 -1.859 -9.421) 12.284 4.023 ( -2.314 -0.821 0.665) 2.544 4.049 ( -1.242 -1.091 -2.219) 2.767 4.278 ( -5.829 2.335 10.062) 11.860 4.454 ( -5.356 -3.048 -8.191) 10.250 4.633 ( 3.473 -3.448 2.121) 5.334 4.655 ( -2.664 2.238 0.155) 3.483 4.859 ( 5.860 -7.109 0.326) 9.219 4.872 ( 4.434 -5.277 -1.019) 6.968 5.109 ( 1.847 4.340 2.326) 5.259 5.214 ( 4.262 -0.999 -5.102) 6.722 5.390 ( -1.346 -0.964 5.911) 6.138 5.404 ( -4.662 -3.474 4.574) 7.398 5.623 ( -5.607 -2.753 -2.830) 6.858 5.639 ( 0.132 -0.928 -0.981) 1.357 5.701 ( -5.834 -1.558 1.346) 6.187 5.870 ( 0.276 3.033 -11.039) 11.451 6.049 ( 4.134 0.837 2.263) 4.787 6.090 ( 1.987 0.995 -0.806) 2.364 6.206 ( 4.814 -1.270 -0.911) 5.062 6.290 ( 1.219 -5.106 -6.731) 8.536 6.466 ( 0.116 7.992 7.995) 11.306 6.521 ( -2.733 7.345 7.427) 10.798 6.635 ( -0.046 8.562 -4.309) 9.586 6.784 ( 3.724 4.364 -9.380) 10.995 6.891 ( 6.611 -6.577 5.229) 10.692 7.058 ( 3.936 -6.871 -8.811) 11.846 7.362 ( -6.556 -1.973 7.081) 9.850 7.412 ( -8.005 -0.514 2.713) 8.467 7.496 ( -1.387 -3.614 10.690) 11.369 7.683 ( -2.971 -2.472 -3.471) 5.195 7.729 ( -0.268 -3.249 -0.993) 3.408 7.767 ( 2.325 -4.917 -1.581) 5.664 7.970 ( -3.412 -2.159 7.553) 8.565 8.031 ( -0.823 0.197 3.608) 3.706 8.125 ( -0.102 -4.740 -2.528) 5.373 8.183 ( 1.058 0.946 -5.796) 5.967 8.319 ( 5.638 -4.367 4.693) 8.537 8.388 ( -2.991 -1.571 3.600) 4.937 8.429 ( -0.217 -3.044 0.149) 3.055 8.580 ( -5.969 -2.586 -7.571) 9.981 8.868 ( -4.144 -4.420 4.247) 7.399 8.958 ( -8.058 -7.094 -3.090) 11.171 9.043 ( -0.539 12.512 1.748) 12.645 9.166 ( 3.611 19.189 -11.529) 22.675 9.385 ( 3.665 -12.202 3.821) 13.302 9.468 ( 0.849 -11.409 -4.294) 12.219 9.645 ( 3.555 4.827 3.232) 6.811 9.781 ( 6.589 7.274 -10.361) 14.271 10.533 ( -5.000 9.922 5.858) 12.561 10.624 ( -7.299 7.526 -3.210) 10.964 11.259 ( 2.883 1.781 8.492) 9.143 11.393 ( 1.939 2.862 -4.851) 5.957 17.309 ( 6.105 0.717 2.086) 6.491 17.376 ( 8.880 0.148 -5.031) 10.207 18.060 ( -0.357 -8.872 -0.234) 8.882 18.069 ( -0.403 -7.507 -1.538) 7.673 18.574 ( 0.765 1.580 0.456) 1.813 18.579 ( -0.034 2.367 0.021) 2.367 19.118 ( -2.535 5.168 8.068) 9.911 19.289 ( -3.004 5.102 -9.491) 11.186 20.101 ( -8.725 4.402 6.545) 11.762 20.171 ( -13.252 4.605 0.174) 14.030 21.483 ( 2.593 -3.474 0.858) 4.419 21.507 ( 3.805 -4.419 -1.688) 6.071 ======================= Grid point 173 (58/75) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 6.426 22.923 5.959) 24.541 1.669 ( 3.757 24.649 -4.950) 25.420 1.743 ( 13.670 7.048 13.980) 20.784 1.827 ( 1.681 1.924 6.753) 7.220 2.019 ( -0.791 -1.876 2.729) 3.405 2.152 ( 5.652 -2.546 -10.437) 12.139 2.410 ( 22.292 4.300 7.076) 23.780 2.560 ( 14.859 1.752 -6.608) 16.356 2.723 ( 5.863 -0.322 -0.674) 5.910 2.791 ( 8.648 -3.784 -6.803) 11.635 2.923 ( 5.877 6.634 4.383) 9.887 2.973 ( -0.988 5.224 -0.695) 5.362 3.075 ( -1.497 4.526 5.502) 7.280 3.138 ( -0.080 4.548 -0.519) 4.578 3.356 ( 12.801 11.012 1.855) 16.987 3.462 ( 5.129 8.508 -5.912) 11.560 3.581 ( 0.343 9.923 3.231) 10.441 3.657 ( 4.870 12.687 -3.297) 13.983 3.835 ( 2.616 -4.934 5.848) 8.086 3.979 ( 1.605 -4.095 0.458) 4.422 3.993 ( -1.616 -2.147 -3.186) 4.168 4.099 ( 7.009 0.392 -8.287) 10.861 4.208 ( -1.331 10.101 7.795) 12.828 4.357 ( -3.759 5.560 -6.757) 9.524 4.561 ( -5.375 1.063 0.530) 5.505 4.619 ( -4.982 3.499 -4.281) 7.443 4.952 ( -0.353 -6.215 1.985) 6.534 4.985 ( 3.994 -6.513 -1.184) 7.731 5.114 ( -5.405 3.309 3.187) 7.093 5.159 ( -11.033 0.611 -1.313) 11.128 5.270 ( 0.979 -11.462 7.606) 13.791 5.432 ( 5.062 -8.412 -6.148) 11.583 5.524 ( -3.101 0.452 8.397) 8.963 5.613 ( -0.342 2.012 7.564) 7.835 5.717 ( 3.707 1.544 -5.488) 6.800 5.869 ( -0.567 4.040 -7.701) 8.715 6.118 ( 2.169 1.671 0.293) 2.753 6.134 ( 2.890 3.864 -0.881) 4.905 6.273 ( -1.749 -2.788 -2.669) 4.238 6.296 ( 0.919 1.751 -5.919) 6.240 6.437 ( -2.623 5.614 3.418) 7.077 6.462 ( -3.928 5.809 3.465) 7.822 6.650 ( 2.297 6.826 3.365) 7.949 6.848 ( 3.136 1.327 -13.128) 13.562 7.006 ( 2.439 -8.158 3.995) 9.405 7.099 ( 0.146 -7.650 -4.281) 8.767 7.262 ( -2.257 0.340 4.544) 5.085 7.316 ( -0.655 -1.084 -1.248) 1.778 7.456 ( -1.774 -4.781 7.395) 8.983 7.613 ( -3.192 -6.791 -5.353) 9.218 7.724 ( -1.506 -7.750 0.303) 7.901 7.756 ( -3.749 -7.524 -0.182) 8.408 7.924 ( -1.239 1.293 8.956) 9.134 8.017 ( -1.645 -0.330 3.889) 4.236 8.086 ( -3.391 -4.655 -3.206) 6.591 8.159 ( -4.305 -0.976 -7.078) 8.342 8.303 ( -2.383 2.226 6.354) 7.142 8.363 ( -3.644 -3.085 -0.486) 4.799 8.456 ( 4.811 -5.732 2.848) 8.007 8.533 ( 0.952 -1.615 -2.806) 3.375 8.753 ( -6.422 -6.322 2.271) 9.293 8.794 ( -7.035 -7.955 -1.693) 10.754 9.128 ( 6.790 19.057 3.611) 20.550 9.270 ( 6.163 19.672 -9.929) 22.881 9.440 ( 2.255 -16.596 -0.805) 16.767 9.482 ( 1.327 -15.301 -3.533) 15.759 9.729 ( 4.617 4.887 4.784) 8.252 9.887 ( 3.815 6.140 -10.690) 12.905 10.408 ( -7.500 7.816 3.038) 11.250 10.467 ( -8.348 4.543 -2.461) 9.818 11.313 ( 2.320 2.617 8.584) 9.269 11.413 ( -0.012 3.832 -1.358) 4.065 17.462 ( 9.168 -0.863 2.861) 9.642 17.566 ( 9.706 -2.555 -8.173) 12.944 18.050 ( -0.688 -9.268 -0.283) 9.298 18.056 ( -0.866 -8.313 -1.186) 8.441 18.582 ( 0.555 2.503 1.266) 2.859 18.603 ( 2.203 1.659 -0.812) 2.876 19.044 ( -4.966 3.757 7.992) 10.132 19.205 ( -5.644 4.152 -8.547) 11.052 19.905 ( -10.178 9.993 5.234) 15.194 19.936 ( -10.025 8.221 2.076) 13.130 21.530 ( 1.987 -4.551 1.218) 5.113 21.561 ( 1.571 -5.614 -1.876) 6.124 ======================= Grid point 174 (59/75) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 3.824 24.977 0.135) 25.269 1.707 ( 1.108 24.848 -4.728) 25.318 1.836 ( 0.418 1.353 6.950) 7.093 1.907 ( -1.314 0.581 -0.014) 1.437 2.122 ( 14.417 0.948 9.796) 17.456 2.296 ( 8.377 -3.741 -6.835) 11.441 2.669 ( -1.262 -0.373 1.507) 2.001 2.696 ( -5.573 -1.311 -1.504) 5.920 2.781 ( 3.608 -1.448 3.515) 5.241 2.839 ( 1.008 4.683 -2.816) 5.556 2.904 ( 0.045 4.594 2.661) 5.309 3.008 ( 2.358 6.132 -7.483) 9.958 3.264 ( 19.082 -3.869 4.867) 20.069 3.338 ( 21.478 -2.696 -1.627) 21.708 3.530 ( 3.882 7.095 3.303) 8.736 3.596 ( 4.637 6.459 -1.907) 8.177 3.711 ( 6.489 5.164 -1.320) 8.397 3.770 ( 4.749 9.524 -0.177) 10.644 3.856 ( 4.370 -0.313 -0.075) 4.382 3.955 ( -0.269 -1.507 -5.384) 5.598 4.050 ( 0.352 -0.343 4.352) 4.380 4.141 ( -6.294 -4.359 -4.261) 8.762 4.220 ( 3.292 8.220 5.871) 10.624 4.339 ( 1.465 13.247 -4.111) 13.947 4.471 ( -2.435 2.450 1.032) 3.605 4.498 ( -6.884 1.902 -1.575) 7.313 4.771 ( -10.076 5.044 2.731) 11.594 4.865 ( -7.065 9.291 -5.837) 13.050 5.068 ( 0.097 -1.118 3.387) 3.568 5.123 ( 3.149 -2.521 -1.344) 4.252 5.331 ( -6.895 1.232 2.278) 7.366 5.336 ( -4.974 -0.616 1.817) 5.331 5.604 ( 5.095 -3.270 10.201) 11.862 5.674 ( 6.769 -0.702 3.816) 7.802 5.754 ( -0.962 0.950 5.398) 5.565 5.844 ( -1.916 0.196 -2.391) 3.070 6.137 ( -2.782 0.250 -2.791) 3.949 6.148 ( 0.419 1.256 0.893) 1.598 6.207 ( 0.499 6.368 -0.888) 6.449 6.292 ( -2.700 4.058 -9.952) 11.082 6.393 ( -1.693 2.236 -1.860) 3.365 6.407 ( -1.109 1.119 -2.332) 2.815 6.727 ( 5.519 2.655 6.643) 9.036 6.918 ( 3.519 -5.230 -9.346) 11.273 6.965 ( -3.706 -1.018 1.140) 4.009 7.088 ( -1.655 -6.488 -7.737) 10.232 7.282 ( 2.098 -2.924 2.616) 4.449 7.324 ( 0.037 -2.683 -1.833) 3.250 7.463 ( 2.760 -6.481 4.219) 8.211 7.573 ( -0.989 -8.097 -4.002) 9.086 7.639 ( -6.105 -5.191 1.256) 8.112 7.668 ( -5.043 -6.252 -1.816) 8.235 7.911 ( -0.178 0.890 9.551) 9.594 7.967 ( -2.401 -7.035 4.009) 8.445 8.025 ( -3.220 -3.744 -2.120) 5.374 8.056 ( -3.776 -4.382 -3.303) 6.661 8.297 ( 1.270 3.351 4.743) 5.944 8.361 ( 2.619 2.630 -2.548) 4.502 8.481 ( -5.322 -0.816 4.234) 6.850 8.522 ( -0.089 -5.670 0.279) 5.678 8.688 ( -0.301 -8.454 0.783) 8.495 8.704 ( -2.031 -7.953 -1.073) 8.277 9.255 ( 5.966 16.836 4.471) 18.413 9.364 ( 2.488 18.487 -1.963) 18.756 9.483 ( 2.712 -21.337 -5.759) 22.266 9.525 ( 2.378 -14.920 -6.718) 16.535 9.817 ( 4.603 5.883 3.841) 8.399 9.925 ( 0.273 6.808 -6.209) 9.218 10.269 ( -6.104 5.699 0.150) 8.352 10.316 ( -7.129 4.514 -4.154) 9.405 11.347 ( 1.380 3.031 6.973) 7.728 11.398 ( -1.265 3.746 1.792) 4.341 17.634 ( 8.055 -1.982 1.305) 8.397 17.715 ( 5.129 -3.013 -7.206) 9.344 18.034 ( -0.971 -9.996 -0.213) 10.045 18.037 ( -1.006 -10.010 -0.538) 10.075 18.606 ( 2.050 2.023 3.295) 4.377 18.653 ( 2.267 0.736 -0.668) 2.475 18.950 ( -3.648 3.930 5.237) 7.495 19.079 ( -7.142 3.473 -7.375) 10.838 19.761 ( -4.547 12.702 4.123) 14.108 19.785 ( -5.528 10.913 1.706) 12.352 21.557 ( 0.879 -5.179 0.690) 5.298 21.574 ( 0.007 -5.716 -0.978) 5.799 ======================= Grid point 175 (60/75) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -1.216 26.635 -3.488) 26.890 1.708 ( 1.216 26.635 -3.488) 26.890 1.858 ( -2.261 -0.519 3.483) 4.185 1.858 ( 2.261 -0.519 3.483) 4.185 2.373 ( -6.603 -5.715 2.632) 9.121 2.373 ( 6.603 -5.715 2.632) 9.121 2.587 ( -2.123 4.152 -2.246) 5.176 2.587 ( 2.123 4.152 -2.246) 5.176 2.803 ( -2.711 0.761 1.905) 3.399 2.803 ( 2.711 0.761 1.905) 3.399 2.991 ( -3.187 8.533 -2.596) 9.472 2.991 ( 3.187 8.533 -2.596) 9.472 3.573 ( -4.003 6.184 5.642) 9.279 3.573 ( 4.003 6.184 5.642) 9.279 3.685 ( -9.058 -8.370 1.216) 12.393 3.685 ( 9.058 -8.370 1.216) 12.393 3.815 ( -10.878 6.314 -0.611) 12.592 3.815 ( 10.878 6.314 -0.611) 12.592 3.837 ( -10.490 -10.338 -6.348) 16.038 3.837 ( 10.490 -10.338 -6.348) 16.038 3.984 ( -2.672 -0.869 -2.417) 3.707 3.984 ( 2.672 -0.869 -2.417) 3.707 4.335 ( -7.955 2.696 2.156) 8.671 4.335 ( 7.955 2.696 2.156) 8.671 4.417 ( -5.861 8.654 -2.134) 10.668 4.417 ( 5.861 8.654 -2.134) 10.668 4.798 ( -6.688 22.795 -0.350) 23.759 4.798 ( 6.688 22.795 -0.350) 23.759 5.116 ( -7.216 0.660 6.077) 9.457 5.116 ( 7.216 0.660 6.077) 9.457 5.216 ( -7.114 0.806 -3.457) 7.951 5.216 ( 7.114 0.806 -3.457) 7.951 5.683 ( -3.284 -1.913 12.508) 13.073 5.683 ( 3.284 -1.913 12.508) 13.073 5.802 ( -3.568 -2.300 2.602) 4.979 5.802 ( 3.568 -2.300 2.602) 4.979 6.135 ( -1.773 -0.749 -4.634) 5.018 6.135 ( 1.773 -0.749 -4.634) 5.018 6.234 ( -2.245 6.688 -2.969) 7.654 6.234 ( 2.245 6.688 -2.969) 7.654 6.390 ( -0.727 0.735 -5.839) 5.930 6.390 ( 0.727 0.735 -5.839) 5.930 6.846 ( -6.336 -2.766 5.217) 8.661 6.846 ( 6.336 -2.766 5.217) 8.661 7.024 ( -4.806 -3.613 -10.185) 11.827 7.024 ( 4.806 -3.613 -10.185) 11.827 7.311 ( -1.150 -3.330 -0.372) 3.542 7.311 ( 1.150 -3.330 -0.372) 3.542 7.537 ( -4.329 -5.943 0.806) 7.396 7.537 ( 4.329 -5.943 0.806) 7.396 7.586 ( -2.484 -6.408 -1.409) 7.015 7.586 ( 2.484 -6.408 -1.409) 7.015 7.925 ( -1.767 -4.393 7.005) 8.455 7.925 ( 1.767 -4.393 7.005) 8.455 8.008 ( -1.391 -4.651 -1.606) 5.113 8.008 ( 1.391 -4.651 -1.606) 5.113 8.349 ( -3.935 5.942 4.858) 8.625 8.349 ( 3.935 5.942 4.858) 8.625 8.466 ( -4.136 -4.413 -2.250) 6.453 8.466 ( 4.136 -4.413 -2.250) 6.453 8.694 ( -0.438 -9.230 0.545) 9.256 8.694 ( 0.438 -9.230 0.545) 9.256 9.349 ( -3.433 13.908 4.317) 14.962 9.349 ( 3.433 13.908 4.317) 14.962 9.536 ( -1.650 -16.479 -9.287) 18.988 9.536 ( 1.650 -16.479 -9.287) 18.988 9.898 ( -3.209 7.436 1.347) 8.210 9.898 ( 3.209 7.436 1.347) 8.210 10.220 ( -1.775 4.835 -4.355) 6.745 10.220 ( 1.775 4.835 -4.355) 6.745 11.372 ( -1.352 3.357 4.506) 5.780 11.372 ( 1.352 3.357 4.506) 5.780 17.742 ( -2.466 -2.181 -3.023) 4.470 17.742 ( 2.466 -2.181 -3.023) 4.470 18.024 ( -0.187 -11.023 -0.140) 11.026 18.024 ( 0.187 -11.023 -0.140) 11.026 18.653 ( -2.187 0.641 3.760) 4.397 18.653 ( 2.187 0.641 3.760) 4.397 18.956 ( -4.496 4.142 -3.458) 7.023 18.956 ( 4.496 4.142 -3.458) 7.023 19.725 ( -0.686 12.587 2.590) 12.869 19.725 ( 0.686 12.587 2.590) 12.869 21.569 ( -0.436 -5.518 -0.097) 5.536 21.569 ( 0.436 -5.518 -0.097) 5.536 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 10.164 9.289) 13.769 1.647 ( 0.000 9.999 12.983) 16.387 1.692 ( 0.000 0.988 7.580) 7.644 2.002 ( 0.000 3.963 -10.533) 11.254 2.136 ( 0.000 5.580 8.495) 10.164 2.307 ( 0.000 17.481 -9.963) 20.121 2.357 ( 0.000 10.611 -4.999) 11.730 2.445 ( 0.000 12.766 -9.293) 15.790 2.545 ( 0.000 18.226 8.205) 19.988 2.734 ( 0.000 20.990 -9.943) 23.226 3.010 ( 0.000 7.150 5.591) 9.077 3.064 ( 0.000 7.588 -0.298) 7.594 3.196 ( 0.000 4.071 5.403) 6.765 3.270 ( 0.000 -4.515 -5.890) 7.421 3.423 ( 0.000 9.876 13.887) 17.041 3.499 ( 0.000 -4.383 4.178) 6.055 3.551 ( 0.000 -0.886 -1.104) 1.416 3.769 ( 0.000 7.084 -6.318) 9.493 3.827 ( 0.000 7.019 -0.954) 7.083 3.888 ( 0.000 15.996 -15.584) 22.333 4.059 ( 0.000 -0.988 2.277) 2.482 4.079 ( 0.000 0.980 0.122) 0.988 4.308 ( 0.000 -2.984 3.343) 4.481 4.379 ( 0.000 -7.191 0.957) 7.255 4.438 ( 0.000 1.837 1.807) 2.577 4.570 ( 0.000 -2.073 -5.718) 6.082 4.710 ( 0.000 -4.947 0.050) 4.947 4.746 ( 0.000 -4.727 -3.354) 5.796 5.211 ( 0.000 6.262 3.251) 7.055 5.286 ( 0.000 3.793 -2.645) 4.624 5.412 ( 0.000 1.813 6.162) 6.423 5.425 ( 0.000 -1.526 6.649) 6.822 5.577 ( 0.000 -4.224 -3.088) 5.232 5.606 ( 0.000 -3.781 -2.829) 4.722 5.803 ( 0.000 -4.986 6.042) 7.834 5.831 ( 0.000 0.540 3.896) 3.933 6.006 ( 0.000 -8.469 -10.518) 13.504 6.036 ( 0.000 4.474 -9.762) 10.738 6.144 ( 0.000 6.496 2.318) 6.897 6.269 ( 0.000 4.449 -7.654) 8.853 6.549 ( 0.000 -0.532 12.244) 12.255 6.642 ( 0.000 -4.764 6.882) 8.370 6.759 ( 0.000 -0.007 1.060) 1.060 6.772 ( 0.000 10.752 5.372) 12.019 6.889 ( 0.000 3.516 -5.353) 6.404 6.931 ( 0.000 -2.181 -11.393) 11.600 7.337 ( 0.000 -4.659 5.222) 6.998 7.363 ( 0.000 -5.423 7.270) 9.070 7.477 ( 0.000 -1.286 -0.954) 1.601 7.541 ( 0.000 -8.543 -11.284) 14.153 7.719 ( 0.000 -4.786 2.754) 5.522 7.795 ( 0.000 0.413 -2.889) 2.918 7.978 ( 0.000 -1.852 -0.106) 1.855 8.001 ( 0.000 -4.946 -1.761) 5.250 8.023 ( 0.000 -2.725 10.367) 10.719 8.194 ( 0.000 0.337 8.637) 8.644 8.203 ( 0.000 -0.131 -6.909) 6.910 8.377 ( 0.000 5.296 -8.460) 9.981 8.448 ( 0.000 -2.651 6.759) 7.260 8.531 ( 0.000 -4.313 -1.449) 4.550 8.735 ( 0.000 -13.583 2.330) 13.782 8.756 ( 0.000 -19.241 -0.086) 19.241 9.127 ( 0.000 -6.268 5.581) 8.393 9.138 ( 0.000 1.471 4.164) 4.416 9.486 ( 0.000 8.108 -6.577) 10.440 9.518 ( 0.000 13.576 -11.001) 17.474 9.706 ( 0.000 4.585 3.557) 5.803 9.844 ( 0.000 5.778 -10.081) 11.619 10.809 ( 0.000 10.100 7.455) 12.553 10.922 ( 0.000 9.847 -4.004) 10.630 11.249 ( 0.000 1.161 7.430) 7.520 11.393 ( 0.000 0.722 -7.067) 7.103 17.294 ( 0.000 3.170 2.013) 3.755 17.345 ( 0.000 4.311 -3.099) 5.309 17.867 ( 0.000 -9.893 0.844) 9.929 17.918 ( 0.000 -7.717 -5.036) 9.215 18.608 ( 0.000 2.781 2.698) 3.875 18.652 ( 0.000 4.766 -1.695) 5.059 19.141 ( 0.000 -5.798 10.905) 12.350 19.325 ( 0.000 -5.335 -8.252) 9.826 20.356 ( 0.000 13.403 5.777) 14.595 20.454 ( 0.000 11.793 -3.862) 12.409 21.368 ( 0.000 -5.806 0.288) 5.813 21.373 ( 0.000 -5.474 -0.256) 5.480 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 6.069 7.126 8.046) 12.343 1.716 ( 6.344 5.158 5.038) 9.604 1.762 ( 7.903 5.217 14.178) 17.050 2.017 ( 0.752 1.808 -5.578) 5.912 2.082 ( -3.288 6.779 5.882) 9.559 2.223 ( -2.131 15.523 -9.401) 18.273 2.461 ( 7.201 16.288 -1.993) 17.920 2.531 ( 5.809 16.115 -7.291) 18.617 2.634 ( 6.974 8.128 0.065) 10.710 2.738 ( 0.297 11.338 -7.829) 13.782 3.019 ( 1.231 5.597 4.778) 7.461 3.071 ( 0.544 4.485 -1.167) 4.667 3.234 ( 1.698 3.736 0.139) 4.106 3.268 ( -0.423 0.724 -4.139) 4.223 3.393 ( 0.923 13.957 14.840) 20.393 3.558 ( 6.287 -0.883 5.562) 8.441 3.604 ( 2.356 0.061 -3.062) 3.864 3.762 ( 2.037 8.206 -6.594) 10.722 3.855 ( 3.655 7.262 1.146) 8.210 3.973 ( 6.231 12.201 -12.257) 18.382 4.005 ( -3.965 1.986 3.206) 5.472 4.057 ( -1.118 2.340 -1.295) 2.899 4.343 ( 2.565 3.904 4.684) 6.615 4.424 ( 2.426 -1.394 -3.104) 4.179 4.522 ( 9.011 -3.448 4.870) 10.807 4.619 ( 4.943 -4.803 -3.532) 7.744 4.735 ( 2.288 -4.256 1.648) 5.105 4.783 ( 3.069 -2.942 -2.908) 5.151 5.179 ( -3.428 2.747 1.272) 4.573 5.226 ( -4.660 0.551 -2.347) 5.247 5.332 ( -7.661 -2.256 4.076) 8.966 5.358 ( -6.856 -2.320 2.949) 7.816 5.563 ( -2.594 -2.247 3.215) 4.703 5.620 ( 1.341 -1.686 -3.469) 4.084 5.713 ( 0.770 2.641 3.856) 4.736 5.934 ( -0.261 4.125 -13.444) 14.065 6.030 ( 8.146 -3.168 3.346) 9.359 6.134 ( 4.013 -2.534 3.153) 5.698 6.172 ( 3.735 3.861 -5.130) 7.428 6.291 ( 2.289 4.145 -7.803) 9.127 6.558 ( 0.790 -1.390 10.468) 10.590 6.628 ( -1.565 0.216 4.571) 4.836 6.755 ( 0.273 -2.405 3.833) 4.534 6.793 ( 1.595 5.489 4.677) 7.385 6.866 ( -1.527 2.559 -5.729) 6.458 6.969 ( 2.738 -2.627 -10.181) 10.865 7.276 ( -3.471 -4.557 5.339) 7.830 7.385 ( -6.559 -2.118 -1.277) 7.010 7.413 ( 1.838 -3.717 6.757) 7.928 7.578 ( 0.486 -7.892 -9.546) 12.395 7.619 ( -7.901 -5.857 -0.168) 9.836 7.681 ( -10.188 -0.132 -4.600) 11.179 7.946 ( -1.309 -1.732 4.021) 4.570 8.032 ( 0.410 -5.441 -3.322) 6.388 8.043 ( 1.657 -1.612 9.444) 9.723 8.197 ( -1.776 -1.004 -3.937) 4.434 8.240 ( 3.713 -1.892 6.751) 7.933 8.373 ( -0.902 1.504 -5.815) 6.074 8.404 ( -3.480 -1.105 6.853) 7.765 8.530 ( -0.407 -2.447 -4.607) 5.232 8.650 ( -5.996 -13.827 4.483) 15.724 8.723 ( -3.471 -12.853 -2.604) 13.565 9.106 ( -2.282 -9.425 4.075) 10.519 9.150 ( -1.216 -7.387 0.872) 7.538 9.449 ( 0.596 14.186 -0.292) 14.201 9.569 ( 4.560 13.384 -11.530) 18.245 9.751 ( 4.161 4.949 5.180) 8.285 9.925 ( 6.240 5.729 -11.932) 14.633 10.736 ( -6.734 9.717 5.045) 12.853 10.810 ( -9.851 10.234 -2.385) 14.403 11.284 ( 2.880 0.188 8.575) 9.047 11.429 ( 2.357 0.079 -6.033) 6.478 17.337 ( 4.321 2.175 2.294) 5.354 17.400 ( 5.273 2.448 -4.056) 7.089 17.863 ( -0.426 -9.819 0.801) 9.860 17.912 ( -0.638 -7.713 -4.867) 9.142 18.615 ( 0.795 2.634 2.185) 3.514 18.650 ( -0.205 4.603 -1.239) 4.771 19.110 ( -3.064 -5.504 10.757) 12.466 19.291 ( -3.447 -5.224 -8.022) 10.175 20.305 ( -4.856 15.071 4.732) 16.526 20.377 ( -6.970 14.739 -2.362) 16.475 21.381 ( 1.152 -6.603 0.498) 6.721 21.392 ( 1.494 -6.838 -0.624) 7.027 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 3.671 1.151 7.677) 8.587 1.866 ( 7.108 3.209 -1.404) 7.924 1.950 ( 7.303 0.698 7.595) 10.560 2.010 ( 0.937 2.702 1.940) 3.456 2.095 ( 6.931 11.269 6.642) 14.804 2.260 ( 4.552 17.804 -6.014) 19.336 2.615 ( 5.034 14.678 -0.823) 15.539 2.651 ( 8.964 7.428 -3.430) 12.136 2.738 ( 3.275 2.583 -3.816) 5.653 2.747 ( 1.783 0.320 -5.477) 5.768 3.047 ( 0.818 5.265 1.629) 5.571 3.077 ( 0.357 4.328 -1.920) 4.748 3.209 ( -0.184 7.586 4.127) 8.638 3.294 ( 2.383 7.760 -3.510) 8.844 3.524 ( 9.128 5.033 -0.626) 10.443 3.578 ( 0.586 1.526 -4.770) 5.042 3.732 ( 6.286 -0.008 6.349) 8.934 3.845 ( 4.717 2.315 -2.957) 6.029 3.910 ( -0.853 10.074 1.315) 10.195 3.954 ( -1.353 10.963 -2.448) 11.314 4.044 ( 6.107 5.220 3.583) 8.797 4.139 ( 5.569 4.697 -5.009) 8.841 4.418 ( 5.489 10.052 5.812) 12.844 4.484 ( 4.691 6.311 -0.361) 7.871 4.621 ( -4.614 4.264 4.002) 7.449 4.681 ( 2.315 1.790 -1.647) 3.358 4.826 ( 4.936 -4.114 2.672) 6.959 4.870 ( 7.395 -3.171 -0.512) 8.062 5.083 ( -1.999 -4.858 4.872) 7.165 5.158 ( -6.488 -1.817 -1.829) 6.981 5.183 ( -6.193 2.128 1.288) 6.674 5.267 ( 3.597 -4.101 -7.993) 9.677 5.516 ( -1.607 -0.147 10.610) 10.732 5.652 ( 1.493 1.025 -1.714) 2.493 5.764 ( 2.982 2.930 -2.041) 4.652 5.927 ( -0.565 2.131 -10.539) 10.767 6.141 ( 2.448 1.465 4.675) 5.477 6.207 ( 2.777 -3.011 3.084) 5.127 6.238 ( 3.351 6.093 -2.457) 7.375 6.345 ( 2.471 2.479 -7.661) 8.422 6.564 ( -1.034 -0.417 5.477) 5.590 6.579 ( -3.416 5.377 3.039) 7.058 6.749 ( -1.747 1.211 1.506) 2.605 6.818 ( -3.922 -0.409 -3.736) 5.431 6.854 ( 4.940 -7.220 6.769) 11.061 7.014 ( 1.772 -1.390 -8.034) 8.344 7.223 ( -3.253 -2.726 3.662) 5.606 7.241 ( -5.410 -5.547 2.268) 8.073 7.396 ( -5.251 0.619 -1.027) 5.386 7.481 ( -7.070 -5.521 -9.122) 12.794 7.498 ( -2.392 -10.934 -0.423) 11.200 7.574 ( -1.813 -8.683 -4.252) 9.837 7.924 ( -3.548 -4.962 5.321) 8.094 7.966 ( -4.596 -3.691 3.381) 6.795 8.057 ( -3.896 -3.450 -0.340) 5.215 8.085 ( -7.645 -1.650 -1.413) 7.948 8.309 ( 2.631 -1.662 4.065) 5.119 8.355 ( -1.026 2.721 3.760) 4.754 8.366 ( 1.741 -5.464 3.178) 6.557 8.511 ( 0.006 -4.454 -4.990) 6.688 8.597 ( -0.223 -6.638 1.519) 6.813 8.641 ( -4.997 -4.968 -1.499) 7.204 9.041 ( -3.901 -16.774 0.936) 17.247 9.073 ( -5.317 -16.719 -1.491) 17.608 9.551 ( 8.386 18.180 3.440) 20.315 9.685 ( 6.762 14.277 -9.628) 18.500 9.847 ( 5.766 6.012 5.647) 10.064 10.031 ( 4.365 6.473 -11.853) 14.193 10.577 ( -9.709 9.083 1.678) 13.401 10.602 ( -10.774 9.290 -0.560) 14.237 11.334 ( 2.082 -1.312 8.656) 8.999 11.451 ( -0.244 -1.071 -3.134) 3.321 17.448 ( 6.922 -0.165 2.375) 7.320 17.523 ( 6.847 -1.114 -5.088) 8.603 17.851 ( -0.905 -9.628 0.589) 9.688 17.892 ( -1.595 -7.769 -4.147) 8.949 18.639 ( 1.616 2.106 1.040) 2.851 18.647 ( 0.060 4.053 0.093) 4.054 19.033 ( -4.552 -4.354 9.726) 11.588 19.199 ( -5.929 -4.694 -7.314) 10.520 20.198 ( -5.516 18.130 2.951) 19.179 20.233 ( -7.088 18.895 -0.419) 20.185 21.402 ( 0.817 -8.019 0.559) 8.080 21.414 ( 0.645 -8.551 -0.712) 8.605 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.041 0.492 6.167) 6.514 1.890 ( -1.926 -0.320 -1.055) 2.219 2.062 ( 4.962 1.249 1.374) 5.298 2.081 ( 4.127 -0.264 -0.709) 4.195 2.281 ( 8.293 18.932 4.543) 21.162 2.359 ( 4.867 17.776 -2.572) 18.609 2.690 ( 4.259 -2.100 5.382) 7.177 2.730 ( -0.040 6.088 1.486) 6.267 2.772 ( 0.389 7.157 -1.085) 7.249 2.823 ( 1.699 -4.312 -5.843) 7.458 3.067 ( 2.955 8.542 -0.673) 9.064 3.127 ( 3.726 5.130 -6.401) 9.010 3.279 ( 7.493 2.688 3.234) 8.592 3.357 ( 6.040 3.498 -3.905) 7.998 3.621 ( 1.882 -3.020 -0.541) 3.600 3.648 ( 1.017 -2.643 -2.880) 4.039 3.824 ( 4.382 8.975 0.980) 10.035 3.876 ( -1.480 4.513 -3.795) 6.079 3.907 ( 2.679 5.640 2.312) 6.658 3.964 ( 2.855 2.553 -2.367) 4.503 4.086 ( -4.165 4.186 2.298) 6.337 4.154 ( -3.791 5.828 -2.974) 7.562 4.439 ( -4.591 10.662 8.969) 14.670 4.553 ( -6.459 3.985 0.802) 7.632 4.577 ( 4.182 9.259 1.271) 10.238 4.656 ( 0.072 13.817 -6.478) 15.261 4.925 ( 9.899 8.116 9.749) 16.091 5.043 ( -1.073 -2.361 -0.283) 2.609 5.063 ( 9.961 3.783 -0.136) 10.656 5.065 ( 0.682 4.306 0.157) 4.363 5.272 ( 9.907 -0.081 1.576) 10.032 5.353 ( 1.009 -2.060 -5.008) 5.509 5.535 ( 4.845 -2.382 10.633) 11.925 5.686 ( 2.350 2.641 2.933) 4.593 5.785 ( -1.218 0.242 -1.447) 1.907 5.896 ( -4.245 5.373 -5.319) 8.671 6.147 ( -3.147 1.642 3.423) 4.931 6.170 ( -3.082 2.174 1.189) 3.955 6.322 ( 3.813 3.752 -0.385) 5.364 6.376 ( 1.490 1.346 -6.970) 7.253 6.488 ( -5.255 6.974 1.676) 8.892 6.507 ( -4.277 6.497 -1.220) 7.874 6.694 ( -3.151 -4.029 1.427) 5.310 6.721 ( -4.748 -9.672 -0.630) 10.793 6.957 ( 4.148 -3.710 2.072) 5.938 7.029 ( -0.848 0.080 -1.306) 1.559 7.157 ( 0.724 -9.079 -2.137) 9.355 7.232 ( 0.166 -5.851 -6.277) 8.583 7.323 ( 0.522 -4.626 -1.347) 4.847 7.399 ( -1.125 -7.859 -4.664) 9.207 7.486 ( -1.601 -7.838 -1.164) 8.084 7.527 ( -3.049 -7.131 -2.183) 8.057 7.770 ( -7.808 -11.730 5.128) 14.995 7.836 ( -11.570 -12.834 1.062) 17.312 7.948 ( -0.206 0.076 2.078) 2.090 8.018 ( -3.423 0.159 -2.515) 4.251 8.336 ( 1.560 2.081 7.261) 7.713 8.389 ( 3.955 -0.490 2.700) 4.814 8.431 ( 3.078 -4.683 4.091) 6.938 8.512 ( -3.296 -6.573 0.176) 7.355 8.551 ( -1.559 0.738 -0.653) 1.845 8.586 ( -1.475 -2.196 -2.450) 3.605 8.977 ( -2.416 -22.493 -1.135) 22.651 8.991 ( -2.755 -22.432 -2.153) 22.703 9.717 ( 7.832 18.287 1.867) 19.981 9.794 ( 3.838 14.731 -5.118) 16.060 9.979 ( 8.029 9.494 2.490) 12.681 10.096 ( 2.886 8.718 -7.362) 11.770 10.378 ( -9.951 7.362 0.720) 12.400 10.410 ( -9.506 5.999 -2.973) 11.627 11.366 ( 1.364 -2.232 6.679) 7.174 11.428 ( -1.752 -1.938 0.244) 2.623 17.586 ( 6.904 -2.423 1.003) 7.385 17.642 ( 5.025 -3.582 -4.560) 7.673 17.828 ( -1.474 -9.443 0.091) 9.558 17.849 ( -2.801 -8.132 -2.384) 8.925 18.655 ( 0.817 2.970 2.017) 3.683 18.671 ( 1.294 1.322 0.951) 2.080 18.960 ( -2.227 -2.573 5.759) 6.689 19.076 ( -6.428 -3.508 -5.651) 9.250 20.112 ( -3.137 20.235 1.734) 20.550 20.125 ( -3.951 20.778 0.510) 21.157 21.411 ( 0.259 -8.995 0.292) 9.004 21.418 ( -0.107 -9.318 -0.406) 9.328 ======================= Grid point 184 (65/75) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -2.019 0.025 2.894) 3.529 1.850 ( 2.019 0.025 2.894) 3.529 2.118 ( -0.738 0.760 -1.098) 1.526 2.118 ( 0.738 0.760 -1.098) 1.526 2.387 ( -2.551 16.927 -0.106) 17.119 2.387 ( 2.551 16.927 -0.106) 17.119 2.732 ( -2.085 8.763 0.549) 9.024 2.732 ( 2.085 8.763 0.549) 9.024 2.795 ( -3.592 -0.874 2.227) 4.315 2.795 ( 3.592 -0.874 2.227) 4.315 3.133 ( -2.580 3.519 -3.769) 5.766 3.133 ( 2.580 3.519 -3.769) 5.766 3.469 ( -7.202 -7.621 1.076) 10.540 3.469 ( 7.202 -7.621 1.076) 10.540 3.584 ( -5.633 -4.316 -4.020) 8.156 3.584 ( 5.633 -4.316 -4.020) 8.156 3.860 ( -1.550 10.330 1.496) 10.553 3.860 ( 1.550 10.330 1.496) 10.553 3.973 ( -1.106 3.840 -2.581) 4.757 3.973 ( 1.106 3.840 -2.581) 4.757 4.075 ( -5.149 10.598 0.472) 11.792 4.075 ( 5.149 10.598 0.472) 11.792 4.407 ( -4.522 5.159 2.214) 7.209 4.407 ( 4.522 5.159 2.214) 7.209 4.632 ( -2.121 12.978 -1.339) 13.218 4.632 ( 2.121 12.978 -1.339) 13.218 5.025 ( -0.588 -1.776 1.065) 2.153 5.025 ( 0.588 -1.776 1.065) 2.153 5.194 ( -6.348 1.168 1.720) 6.679 5.194 ( 6.348 1.168 1.720) 6.679 5.358 ( -4.228 16.121 0.307) 16.669 5.358 ( 4.228 16.121 0.307) 16.669 5.676 ( -9.861 2.238 8.716) 13.349 5.676 ( 9.861 2.238 8.716) 13.349 5.757 ( -3.313 0.570 0.846) 3.466 5.757 ( 3.313 0.570 0.846) 3.466 6.124 ( -2.572 0.597 1.063) 2.846 6.124 ( 2.572 0.597 1.063) 2.846 6.387 ( -3.237 1.040 -1.532) 3.729 6.387 ( 3.237 1.040 -1.532) 3.729 6.436 ( -2.762 8.710 -6.178) 11.030 6.436 ( 2.762 8.710 -6.178) 11.030 6.663 ( -0.906 -12.555 -0.158) 12.589 6.663 ( 0.906 -12.555 -0.158) 12.589 7.001 ( -1.369 -0.652 1.735) 2.304 7.001 ( 1.369 -0.652 1.735) 2.304 7.210 ( -2.407 -5.650 -7.994) 10.080 7.210 ( 2.407 -5.650 -7.994) 10.080 7.405 ( -5.115 -5.927 -1.629) 7.997 7.405 ( 5.115 -5.927 -1.629) 7.997 7.443 ( -4.564 -6.680 -1.952) 8.323 7.443 ( 4.564 -6.680 -1.952) 8.323 7.703 ( -1.545 -17.035 5.345) 17.920 7.703 ( 1.545 -17.035 5.345) 17.920 7.961 ( -1.946 -0.551 -1.225) 2.365 7.961 ( 1.946 -0.551 -1.225) 2.365 8.400 ( -4.743 1.801 6.307) 8.094 8.400 ( 4.743 1.801 6.307) 8.094 8.459 ( -2.229 -2.383 4.522) 5.576 8.459 ( 2.229 -2.383 4.522) 5.576 8.555 ( -0.930 -3.113 -4.480) 5.534 8.555 ( 0.930 -3.113 -4.480) 5.534 8.960 ( -0.552 -24.503 -1.931) 24.585 8.960 ( 0.552 -24.503 -1.931) 24.585 9.816 ( -1.906 16.605 -1.837) 16.814 9.816 ( 1.906 16.605 -1.837) 16.814 10.122 ( -4.026 15.723 2.125) 16.369 10.122 ( 4.026 15.723 2.125) 16.369 10.265 ( -2.493 0.252 -5.419) 5.971 10.265 ( 2.493 0.252 -5.419) 5.971 11.394 ( -1.671 -2.383 3.594) 4.625 11.394 ( 1.671 -2.383 3.594) 4.625 17.684 ( -1.902 -3.326 -2.420) 4.532 17.684 ( 1.902 -3.326 -2.420) 4.532 17.807 ( -0.311 -9.402 -0.318) 9.412 17.807 ( 0.311 -9.402 -0.318) 9.412 18.675 ( -0.853 1.597 2.815) 3.347 18.675 ( 0.853 1.597 2.815) 3.347 18.973 ( -3.617 -2.194 -1.432) 4.466 18.973 ( 3.617 -2.194 -1.432) 4.466 20.084 ( -0.296 21.035 1.046) 21.063 20.084 ( 0.296 21.035 1.046) 21.063 21.415 ( -0.183 -9.413 -0.055) 9.415 21.415 ( 0.183 -9.413 -0.055) 9.415 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 0.000 -0.690 3.116) 3.191 1.678 ( 0.000 0.374 1.139) 1.199 1.858 ( 0.000 6.440 5.140) 8.240 1.965 ( 0.000 -3.464 -4.318) 5.536 2.409 ( 0.000 16.651 8.989) 18.922 2.572 ( 0.000 11.183 -0.062) 11.183 2.578 ( 0.000 7.710 -8.929) 11.797 2.686 ( 0.000 13.494 -8.880) 16.154 2.864 ( 0.000 9.077 4.865) 10.298 2.939 ( 0.000 -4.468 -1.215) 4.630 3.027 ( 0.000 3.379 0.178) 3.384 3.111 ( 0.000 -3.259 -7.408) 8.094 3.221 ( 0.000 1.355 0.236) 1.375 3.274 ( 0.000 3.972 -5.847) 7.069 3.370 ( 0.000 -7.519 5.633) 9.395 3.458 ( 0.000 -6.688 -3.125) 7.382 3.816 ( 0.000 11.068 8.575) 14.001 3.848 ( 0.000 2.468 1.474) 2.875 3.919 ( 0.000 2.623 7.766) 8.197 3.999 ( 0.000 -4.315 -0.189) 4.319 4.102 ( 0.000 12.338 4.054) 12.986 4.212 ( 0.000 0.899 -2.696) 2.842 4.273 ( 0.000 -3.524 -2.080) 4.092 4.359 ( 0.000 8.857 -9.844) 13.242 4.616 ( 0.000 12.413 4.643) 13.253 4.674 ( 0.000 5.382 2.793) 6.064 4.689 ( 0.000 13.247 -3.987) 13.834 4.748 ( 0.000 9.362 -2.744) 9.756 5.197 ( 0.000 -6.490 7.199) 9.692 5.329 ( 0.000 -1.966 -4.016) 4.472 5.372 ( 0.000 -4.128 7.928) 8.938 5.448 ( 0.000 -4.284 0.697) 4.340 5.454 ( 0.000 -6.047 -1.931) 6.348 5.479 ( 0.000 -6.408 -2.587) 6.911 5.680 ( 0.000 -5.922 5.061) 7.790 5.783 ( 0.000 -11.190 -3.508) 11.727 5.954 ( 0.000 11.669 8.038) 14.170 6.186 ( 0.000 8.897 -5.039) 10.225 6.283 ( 0.000 6.057 -6.445) 8.845 6.361 ( 0.000 2.594 -6.148) 6.672 6.515 ( 0.000 -1.317 7.813) 7.923 6.577 ( 0.000 -1.268 1.492) 1.958 6.648 ( 0.000 -7.701 -3.594) 8.498 6.762 ( 0.000 -14.177 -13.376) 19.491 6.986 ( 0.000 7.297 3.202) 7.969 7.002 ( 0.000 11.510 1.849) 11.658 7.275 ( 0.000 -1.466 5.062) 5.270 7.309 ( 0.000 -0.202 0.123) 0.236 7.473 ( 0.000 -0.549 -6.031) 6.056 7.477 ( 0.000 0.583 -4.801) 4.836 7.553 ( 0.000 -10.079 4.109) 10.885 7.666 ( 0.000 -13.799 -5.741) 14.946 7.906 ( 0.000 -2.391 6.378) 6.812 7.930 ( 0.000 -2.529 1.944) 3.190 7.994 ( 0.000 0.676 6.422) 6.458 8.148 ( 0.000 -4.592 -4.405) 6.363 8.270 ( 0.000 3.247 9.272) 9.824 8.329 ( 0.000 -10.078 2.412) 10.363 8.361 ( 0.000 -4.211 3.954) 5.776 8.468 ( 0.000 -4.771 -5.959) 7.634 8.580 ( 0.000 -0.291 -1.959) 1.980 8.585 ( 0.000 5.642 -3.357) 6.565 9.019 ( 0.000 -4.056 6.775) 7.896 9.098 ( 0.000 -4.260 -0.682) 4.314 9.685 ( 0.000 9.388 -2.718) 9.774 9.711 ( 0.000 6.000 -5.420) 8.086 9.782 ( 0.000 2.774 2.934) 4.038 9.910 ( 0.000 0.461 -9.386) 9.397 10.979 ( 0.000 6.607 7.032) 9.649 11.068 ( 0.000 3.878 -1.130) 4.040 11.280 ( 0.000 2.257 3.933) 4.535 11.387 ( 0.000 -1.352 -5.956) 6.108 17.378 ( 0.000 5.126 2.682) 5.785 17.451 ( 0.000 5.974 -4.726) 7.617 17.677 ( 0.000 -8.600 2.268) 8.894 17.760 ( 0.000 -7.829 -6.622) 10.254 18.684 ( 0.000 4.766 5.461) 7.249 18.773 ( 0.000 7.101 -3.474) 7.906 18.977 ( 0.000 -8.779 11.040) 14.105 19.154 ( 0.000 -10.125 -7.057) 12.342 20.673 ( 0.000 16.280 3.372) 16.626 20.737 ( 0.000 14.645 -2.944) 14.938 21.214 ( 0.000 -9.465 0.787) 9.498 21.229 ( 0.000 -8.776 -0.741) 8.807 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 3.707 -0.035 4.720) 6.002 1.747 ( 5.962 -0.978 -0.740) 6.087 1.880 ( 2.226 3.544 4.711) 6.302 1.968 ( 0.444 -3.338 -3.441) 4.815 2.366 ( -2.583 16.897 8.630) 19.148 2.514 ( -0.251 12.892 -7.198) 14.768 2.716 ( 7.114 6.462 -2.514) 9.934 2.745 ( 4.782 8.719 -5.324) 11.280 2.816 ( -2.420 6.602 4.498) 8.347 2.937 ( -3.845 4.654 -7.854) 9.906 3.020 ( 3.469 -0.267 5.493) 6.502 3.156 ( 1.880 2.985 -6.955) 7.798 3.252 ( 4.083 -0.188 0.001) 4.087 3.294 ( 2.349 2.409 -4.042) 5.259 3.412 ( 3.352 -7.811 3.931) 9.365 3.498 ( 2.362 -7.079 -3.338) 8.175 3.794 ( 0.436 10.355 7.397) 12.733 3.866 ( 1.332 1.508 1.376) 2.438 3.989 ( 1.072 2.303 0.833) 2.673 3.998 ( 6.397 2.418 1.636) 7.032 4.158 ( 4.071 9.255 4.737) 11.165 4.293 ( 5.086 2.863 -3.939) 7.041 4.347 ( 5.787 -0.315 -1.360) 5.953 4.382 ( 4.888 1.405 -5.984) 7.853 4.622 ( 0.933 11.829 5.740) 13.181 4.695 ( 2.001 10.933 -0.812) 11.145 4.715 ( 3.174 5.609 2.889) 7.062 4.790 ( 5.489 6.893 -2.737) 9.227 5.161 ( -3.746 -5.031 6.120) 8.763 5.227 ( -7.843 -1.673 4.168) 9.038 5.259 ( -7.763 -3.090 -0.763) 8.390 5.328 ( -4.009 -3.759 -4.271) 6.961 5.529 ( 2.643 -1.161 2.074) 3.554 5.570 ( 5.012 -1.849 -3.474) 6.372 5.796 ( 6.569 1.209 5.347) 8.556 5.893 ( 9.936 -12.131 -1.775) 15.781 5.978 ( 4.072 4.042 6.002) 8.303 6.170 ( -2.192 9.096 -9.233) 13.144 6.280 ( 0.789 4.892 0.929) 5.042 6.378 ( 1.222 2.015 -5.625) 6.099 6.492 ( -2.103 -2.892 6.582) 7.491 6.579 ( 0.165 -2.079 1.803) 2.757 6.621 ( -2.689 -7.763 -2.781) 8.674 6.766 ( 0.347 -14.443 -13.344) 19.666 6.972 ( -1.526 7.598 3.643) 8.564 6.999 ( -0.298 10.987 0.950) 11.032 7.231 ( -3.187 0.257 3.872) 5.022 7.318 ( -0.301 -2.351 -1.430) 2.768 7.391 ( -5.044 -0.278 -2.435) 5.608 7.452 ( -3.380 -6.889 -2.647) 8.117 7.562 ( -1.700 -0.621 0.712) 1.945 7.649 ( -3.257 -8.310 -5.193) 10.327 7.861 ( -5.267 -5.901 1.450) 8.042 7.880 ( -3.922 -3.739 -0.283) 5.426 7.978 ( -0.686 -3.863 9.128) 9.936 8.111 ( -3.835 -6.474 -2.468) 7.919 8.237 ( -2.178 -0.807 8.115) 8.440 8.326 ( -1.064 0.190 -0.884) 1.396 8.390 ( 2.693 -7.669 6.733) 10.554 8.489 ( 1.030 -1.049 -3.710) 3.991 8.519 ( -4.998 4.200 -1.659) 6.736 8.564 ( -1.413 -2.243 -4.291) 5.044 8.953 ( -6.133 -5.053 5.226) 9.511 9.016 ( -8.021 -5.859 -0.917) 9.975 9.727 ( 4.942 11.348 -1.662) 12.489 9.764 ( 5.060 6.696 -4.306) 9.433 9.827 ( 4.407 2.293 4.118) 6.453 9.987 ( 6.445 0.109 -11.126) 12.859 10.921 ( -5.575 8.321 5.972) 11.661 11.007 ( -6.344 8.003 -2.333) 10.476 11.264 ( -0.999 -1.565 6.741) 6.992 11.389 ( -0.459 -3.874 -5.473) 6.721 17.401 ( 2.411 4.262 2.651) 5.568 17.475 ( 2.341 4.774 -4.751) 7.131 17.677 ( -0.045 -8.301 2.162) 8.578 17.757 ( -0.411 -7.592 -6.366) 9.916 18.686 ( 0.281 4.437 4.924) 6.634 18.766 ( -0.725 6.788 -3.036) 7.471 18.958 ( -1.842 -8.105 10.531) 13.416 19.128 ( -2.634 -9.600 -6.774) 12.041 20.646 ( -2.624 17.147 2.964) 17.598 20.701 ( -3.475 15.953 -2.451) 16.510 21.213 ( -0.179 -10.102 0.733) 10.131 21.227 ( -0.293 -9.581 -0.706) 9.611 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 4.047 0.648 5.724) 7.040 1.855 ( 4.057 -2.261 -2.302) 5.183 1.934 ( 2.977 -1.671 3.260) 4.721 1.986 ( 1.556 -2.302 -2.126) 3.499 2.373 ( 4.372 14.092 10.016) 17.834 2.558 ( 4.460 10.994 -7.974) 14.294 2.737 ( -2.421 0.958 -0.152) 2.608 2.790 ( -1.157 1.278 -4.389) 4.715 2.864 ( 2.036 8.382 2.991) 9.129 2.915 ( 5.406 13.301 -1.951) 14.489 3.117 ( 5.888 2.023 0.296) 6.233 3.180 ( 1.704 5.962 -4.595) 7.718 3.315 ( 0.864 1.063 1.512) 2.040 3.368 ( 3.504 0.175 -3.532) 4.978 3.475 ( 3.021 -7.464 0.180) 8.054 3.515 ( 0.554 -6.501 -2.890) 7.136 3.842 ( 4.252 8.468 2.907) 9.911 3.904 ( 2.848 3.887 -0.990) 4.920 4.039 ( 2.756 4.632 3.202) 6.269 4.112 ( 1.908 1.624 -2.255) 3.370 4.226 ( 3.213 8.978 0.869) 9.576 4.279 ( -1.324 8.149 -3.360) 8.914 4.513 ( 8.296 -1.740 2.475) 8.831 4.548 ( 8.964 -2.288 -1.532) 9.378 4.678 ( 4.844 5.786 3.923) 8.504 4.724 ( 4.259 2.855 -0.616) 5.164 4.864 ( 4.449 3.665 4.611) 7.381 4.914 ( 7.594 6.213 1.418) 9.914 5.108 ( -2.929 5.587 2.742) 6.878 5.137 ( 5.271 1.532 -0.753) 5.540 5.165 ( -0.035 -1.571 4.287) 4.566 5.263 ( -2.756 -0.267 -4.614) 5.380 5.551 ( 0.337 3.722 6.078) 7.135 5.680 ( 5.558 4.205 -4.801) 8.463 5.848 ( 0.757 6.405 2.994) 7.111 6.009 ( -1.819 4.468 -8.531) 9.801 6.124 ( 7.722 -5.298 3.816) 10.112 6.164 ( 4.066 -1.463 1.361) 4.531 6.331 ( 4.025 3.297 2.180) 5.641 6.390 ( 0.054 -1.349 -1.419) 1.958 6.457 ( -0.202 -7.377 3.288) 8.079 6.546 ( -4.725 -5.317 -3.367) 7.870 6.589 ( 1.263 -6.276 5.479) 8.426 6.778 ( 1.167 -13.278 -10.693) 17.088 6.921 ( -4.087 8.781 4.606) 10.725 6.997 ( 0.206 8.497 -4.377) 9.560 7.170 ( -3.525 0.297 1.878) 4.005 7.236 ( -9.051 2.439 -1.099) 9.438 7.328 ( -2.779 -6.097 0.957) 6.768 7.361 ( -4.767 -5.413 -1.308) 7.330 7.479 ( -4.644 2.911 -3.755) 6.644 7.520 ( -8.567 2.194 -6.002) 10.688 7.724 ( -8.969 -10.798 2.039) 14.185 7.793 ( -6.945 -11.999 -4.133) 14.467 7.931 ( -4.614 -9.372 5.262) 11.697 8.030 ( -3.497 -8.581 -3.801) 10.016 8.224 ( 1.146 -0.616 8.030) 8.135 8.297 ( -1.482 0.831 0.682) 1.830 8.399 ( -3.147 -1.645 6.715) 7.596 8.450 ( 0.626 0.056 0.526) 0.820 8.511 ( 1.289 -0.999 -1.667) 2.333 8.562 ( 0.380 -4.728 -4.918) 6.833 8.811 ( -7.995 -5.425 2.993) 10.115 8.840 ( -8.671 -6.512 -0.033) 10.844 9.854 ( 7.280 9.510 -0.668) 11.995 9.887 ( 7.142 8.421 -3.126) 11.475 9.940 ( 7.307 2.653 3.821) 8.662 10.110 ( 5.822 0.839 -11.852) 13.231 10.783 ( -8.355 11.446 4.325) 14.817 10.846 ( -9.665 13.550 -1.884) 16.750 11.247 ( -0.791 -7.056 7.908) 10.628 11.359 ( -2.552 -7.749 -3.467) 8.865 17.466 ( 4.115 2.050 2.243) 5.115 17.532 ( 3.308 1.978 -4.361) 5.820 17.675 ( -0.196 -7.444 1.730) 7.645 17.742 ( -1.192 -6.905 -5.424) 8.861 18.695 ( 0.701 3.575 3.586) 5.113 18.749 ( -0.994 5.898 -1.781) 6.241 18.914 ( -2.468 -6.408 8.789) 11.154 19.058 ( -4.374 -8.170 -5.832) 10.949 20.585 ( -3.297 18.858 2.070) 19.255 20.621 ( -4.342 18.349 -1.454) 18.912 21.206 ( -0.524 -11.377 0.532) 11.401 21.217 ( -0.790 -11.090 -0.530) 11.130 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 2.208 1.417 4.358) 5.087 1.887 ( -0.251 0.368 -1.135) 1.219 1.985 ( 2.330 -5.128 2.024) 5.985 2.019 ( 1.212 -3.675 -1.361) 4.102 2.530 ( 10.460 5.668 8.104) 14.395 2.651 ( 3.950 7.710 -2.686) 9.070 2.701 ( -1.593 -0.090 -1.471) 2.170 2.750 ( -0.653 -0.547 -4.902) 4.975 2.918 ( 2.939 11.815 4.924) 13.133 2.988 ( 1.260 12.384 -0.177) 12.449 3.207 ( 1.071 4.249 -3.270) 5.467 3.227 ( 1.660 4.599 -3.511) 6.020 3.307 ( 0.767 0.057 2.791) 2.895 3.374 ( -0.591 -1.932 -3.570) 4.102 3.501 ( -0.505 -7.172 1.257) 7.299 3.538 ( -0.771 -7.949 -2.692) 8.428 3.953 ( 6.181 7.422 -1.125) 9.724 3.980 ( 5.357 4.908 -2.770) 7.775 4.059 ( -0.308 4.076 3.187) 5.183 4.106 ( 1.788 5.639 -3.180) 6.716 4.249 ( -0.277 13.814 2.335) 14.013 4.298 ( -0.015 9.726 -1.453) 9.834 4.570 ( -1.446 4.550 3.523) 5.934 4.629 ( -1.427 3.439 -2.592) 4.537 4.804 ( 7.120 4.912 2.362) 8.967 4.849 ( 5.839 -0.004 -1.566) 6.045 4.906 ( 2.168 -1.249 1.494) 2.914 4.946 ( -1.123 -4.069 -1.640) 4.529 5.109 ( 3.279 2.701 6.762) 7.985 5.234 ( 0.836 3.843 -4.446) 5.936 5.348 ( 13.054 2.635 2.078) 13.479 5.382 ( 13.890 5.416 -1.709) 15.006 5.571 ( 3.645 8.437 11.425) 14.663 5.745 ( -0.375 3.155 -4.463) 5.479 5.837 ( 1.184 7.858 7.879) 11.190 6.031 ( 6.146 8.987 -7.511) 13.227 6.145 ( -4.355 -5.243 4.489) 8.161 6.214 ( -0.971 -6.232 -1.445) 6.470 6.298 ( -4.878 -0.766 6.320) 8.020 6.422 ( -5.196 3.842 -4.235) 7.726 6.457 ( 2.565 -3.237 3.027) 5.121 6.517 ( 2.455 -1.104 -1.901) 3.295 6.697 ( 8.729 -8.268 8.005) 14.444 6.789 ( -2.938 2.185 -1.388) 3.915 6.815 ( -5.969 7.068 1.582) 9.385 6.931 ( -4.980 -6.046 -4.644) 9.106 7.074 ( -1.040 2.678 -3.793) 4.758 7.139 ( -0.943 -1.285 -2.892) 3.303 7.239 ( -4.148 -6.650 -1.906) 8.066 7.316 ( -1.654 -4.850 -6.197) 8.041 7.401 ( -2.539 -0.689 -0.477) 2.673 7.424 ( -1.844 -0.687 -3.757) 4.242 7.523 ( -11.378 -9.735 -0.689) 14.990 7.555 ( -15.637 -11.653 -2.055) 19.610 7.876 ( -0.898 -9.851 0.026) 9.892 7.959 ( -4.090 -9.693 -6.219) 12.221 8.264 ( 2.712 -3.982 5.923) 7.635 8.300 ( 2.134 -5.252 2.374) 6.147 8.360 ( -1.010 -2.978 7.435) 8.072 8.454 ( -1.563 -5.797 -1.448) 6.176 8.519 ( -1.035 -0.675 2.372) 2.675 8.553 ( -1.342 1.017 -1.366) 2.168 8.687 ( -3.279 -4.750 2.695) 6.370 8.725 ( -3.344 -4.336 -1.330) 5.635 9.978 ( 5.265 6.488 0.444) 8.367 10.010 ( 4.829 9.443 -3.143) 11.061 10.100 ( 8.747 1.557 -0.031) 8.884 10.205 ( 4.130 1.024 -9.413) 10.330 10.617 ( -8.239 15.862 3.516) 18.217 10.658 ( -9.283 17.617 -0.652) 19.924 11.238 ( 0.047 -10.289 6.182) 12.004 11.303 ( -2.988 -10.351 -0.508) 10.785 17.552 ( 4.573 -0.634 0.889) 4.701 17.592 ( 2.756 -0.972 -3.100) 4.260 17.668 ( -0.620 -6.155 0.778) 6.235 17.708 ( -2.429 -5.787 -3.507) 7.189 18.711 ( 0.793 2.771 2.446) 3.780 18.732 ( -0.670 4.556 0.060) 4.606 18.879 ( -0.762 -4.736 5.064) 6.976 18.970 ( -4.545 -6.258 -3.888) 8.657 20.532 ( -1.985 20.150 1.144) 20.280 20.549 ( -2.908 20.010 -0.505) 20.226 21.195 ( -0.474 -12.372 0.249) 12.384 21.201 ( -0.762 -12.240 -0.272) 12.267 ======================= Grid point 193 (70/75) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -1.624 1.706 1.770) 2.946 1.866 ( 1.624 1.706 1.770) 2.946 2.020 ( -1.058 -5.691 0.045) 5.789 2.020 ( 1.058 -5.691 0.045) 5.789 2.666 ( -2.291 4.827 -0.289) 5.351 2.666 ( 2.291 4.827 -0.289) 5.351 2.728 ( -4.153 -2.323 0.815) 4.828 2.728 ( 4.153 -2.323 0.815) 4.828 2.972 ( -2.462 12.368 3.771) 13.163 2.972 ( 2.462 12.368 3.771) 13.163 3.199 ( -0.843 5.130 -4.233) 6.704 3.199 ( 0.843 5.130 -4.233) 6.704 3.374 ( -2.451 -2.387 -1.574) 3.766 3.374 ( 2.451 -2.387 -1.574) 3.766 3.487 ( -1.924 -7.340 0.033) 7.587 3.487 ( 1.924 -7.340 0.033) 7.587 4.043 ( -3.268 7.224 0.534) 7.947 4.043 ( 3.268 7.224 0.534) 7.947 4.091 ( -4.315 5.429 -4.190) 8.103 4.091 ( 4.315 5.429 -4.190) 8.103 4.276 ( -2.732 11.038 1.785) 11.510 4.276 ( 2.732 11.038 1.785) 11.510 4.555 ( -2.947 8.138 0.270) 8.660 4.555 ( 2.947 8.138 0.269) 8.660 4.897 ( -1.025 5.524 -0.101) 5.619 4.897 ( 1.025 5.524 -0.101) 5.620 4.930 ( -1.246 -3.608 -1.014) 3.949 4.930 ( 1.246 -3.608 -1.014) 3.949 5.208 ( -4.560 4.706 2.756) 7.108 5.208 ( 4.560 4.706 2.756) 7.108 5.492 ( -1.742 -0.797 -0.911) 2.122 5.492 ( 1.742 -0.797 -0.911) 2.122 5.697 ( -5.707 0.089 2.789) 6.352 5.697 ( 5.707 0.089 2.789) 6.352 5.988 ( -10.094 8.851 4.136) 14.048 5.988 ( 10.094 8.851 4.136) 14.048 6.165 ( -9.121 1.439 6.406) 11.238 6.165 ( 9.121 1.439 6.406) 11.238 6.262 ( -7.529 -0.316 -1.591) 7.702 6.262 ( 7.529 -0.316 -1.591) 7.702 6.538 ( -2.329 0.253 2.981) 3.791 6.538 ( 2.329 0.253 2.981) 3.791 6.655 ( -2.528 10.760 -4.886) 12.085 6.655 ( 2.528 10.760 -4.886) 12.085 6.948 ( -3.682 -4.513 2.036) 6.170 6.948 ( 3.682 -4.513 2.036) 6.170 7.078 ( -7.053 -9.307 -5.808) 13.042 7.078 ( 7.053 -9.307 -5.808) 13.042 7.284 ( -9.299 -10.099 -0.442) 13.736 7.284 ( 9.299 -10.099 -0.442) 13.736 7.329 ( -4.560 -9.301 -2.983) 10.780 7.329 ( 4.560 -9.301 -2.983) 10.780 7.409 ( -0.766 1.386 -3.741) 4.063 7.409 ( 0.766 1.386 -3.741) 4.063 7.891 ( -2.432 -9.300 -4.212) 10.495 7.891 ( 2.432 -9.300 -4.212) 10.495 8.321 ( -2.680 -6.059 6.185) 9.064 8.321 ( 2.680 -6.059 6.185) 9.064 8.378 ( -4.821 -10.283 0.406) 11.364 8.378 ( 4.821 -10.283 0.406) 11.364 8.519 ( -1.257 4.825 2.484) 5.570 8.519 ( 1.257 4.825 2.484) 5.570 8.684 ( -1.461 -3.843 -0.161) 4.114 8.684 ( 1.461 -3.843 -0.161) 4.114 10.045 ( -1.256 7.561 -1.905) 7.898 10.045 ( 1.256 7.561 -1.905) 7.898 10.234 ( -3.260 -2.441 -4.633) 6.169 10.234 ( 3.260 -2.441 -4.633) 6.169 10.532 ( -1.746 21.812 1.906) 21.964 10.532 ( 1.746 21.812 1.906) 21.964 11.255 ( -1.767 -11.289 2.932) 11.797 11.255 ( 1.767 -11.289 2.932) 11.797 17.622 ( -1.156 -2.388 -1.589) 3.093 17.622 ( 1.156 -2.388 -1.589) 3.093 17.659 ( -1.124 -5.028 -0.641) 5.192 17.659 ( 1.124 -5.028 -0.641) 5.192 18.722 ( -0.423 3.153 1.804) 3.657 18.722 ( 0.423 3.153 1.804) 3.657 18.897 ( -2.663 -4.679 -0.226) 5.388 18.897 ( 2.663 -4.679 -0.226) 5.388 20.516 ( -0.424 20.566 0.318) 20.573 20.516 ( 0.424 20.566 0.318) 20.573 21.191 ( -0.134 -12.688 -0.018) 12.688 21.191 ( 0.134 -12.688 -0.018) 12.688 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 -1.234 2.199) 2.522 1.662 ( 0.000 1.234 2.199) 2.522 1.921 ( 0.000 -1.178 -3.594) 3.782 1.921 ( 0.000 1.178 -3.594) 3.782 2.675 ( 0.000 -6.158 0.349) 6.168 2.675 ( 0.000 6.158 0.349) 6.168 2.771 ( 0.000 -2.859 -0.520) 2.906 2.771 ( 0.000 2.859 -0.520) 2.906 2.848 ( 0.000 -0.025 2.135) 2.135 2.848 ( 0.000 0.025 2.135) 2.135 3.109 ( 0.000 -3.763 -6.284) 7.324 3.109 ( 0.000 3.763 -6.284) 7.324 3.229 ( 0.000 -3.857 5.205) 6.478 3.229 ( 0.000 3.857 5.205) 6.478 3.353 ( 0.000 -3.353 -5.558) 6.491 3.353 ( 0.000 3.353 -5.558) 6.491 3.869 ( 0.000 -0.657 2.852) 2.927 3.869 ( 0.000 0.657 2.852) 2.927 3.939 ( 0.000 -0.453 0.112) 0.467 3.939 ( 0.000 0.453 0.112) 0.467 4.214 ( 0.000 -0.867 1.984) 2.165 4.214 ( 0.000 0.867 1.984) 2.165 4.354 ( 0.000 -5.712 -5.206) 7.728 4.354 ( 0.000 5.712 -5.206) 7.728 4.862 ( 0.000 -9.092 8.445) 12.409 4.862 ( 0.000 9.092 8.445) 12.409 4.948 ( 0.000 -7.661 1.454) 7.797 4.948 ( 0.000 7.661 1.454) 7.797 5.152 ( 0.000 -11.324 2.061) 11.510 5.152 ( 0.000 11.324 2.061) 11.510 5.199 ( 0.000 -1.171 1.236) 1.702 5.199 ( 0.000 1.171 1.236) 1.702 5.453 ( 0.000 -1.612 -0.734) 1.771 5.453 ( 0.000 1.612 -0.734) 1.771 5.636 ( 0.000 -2.623 0.359) 2.647 5.636 ( 0.000 2.623 0.359) 2.647 6.240 ( 0.000 -12.899 -2.577) 13.154 6.240 ( 0.000 12.899 -2.577) 13.154 6.338 ( 0.000 -4.268 0.326) 4.280 6.338 ( 0.000 4.268 0.326) 4.280 6.516 ( 0.000 -4.019 -9.284) 10.116 6.516 ( 0.000 4.019 -9.284) 10.116 6.579 ( 0.000 -1.273 -3.478) 3.704 6.579 ( 0.000 1.273 -3.478) 3.704 7.204 ( 0.000 -11.242 5.258) 12.411 7.204 ( 0.000 11.242 5.258) 12.411 7.262 ( 0.000 -9.790 3.406) 10.365 7.262 ( 0.000 9.790 3.406) 10.365 7.341 ( 0.000 -3.832 -3.071) 4.911 7.341 ( 0.000 3.832 -3.071) 4.911 7.524 ( 0.000 -0.787 -5.839) 5.891 7.524 ( 0.000 0.787 -5.839) 5.891 7.887 ( 0.000 -0.936 8.290) 8.343 7.887 ( 0.000 0.936 8.290) 8.343 8.044 ( 0.000 -4.041 1.063) 4.178 8.044 ( 0.000 4.041 1.063) 4.178 8.256 ( 0.000 -1.404 5.784) 5.952 8.256 ( 0.000 1.404 5.784) 5.952 8.377 ( 0.000 -3.945 -6.443) 7.555 8.377 ( 0.000 3.945 -6.443) 7.555 8.634 ( 0.000 -2.162 0.534) 2.227 8.634 ( 0.000 2.162 0.534) 2.227 9.007 ( 0.000 -3.293 1.312) 3.545 9.007 ( 0.000 3.293 1.312) 3.545 9.778 ( 0.000 -0.648 0.061) 0.651 9.778 ( 0.000 0.648 0.061) 0.651 9.861 ( 0.000 -4.885 -5.940) 7.691 9.861 ( 0.000 4.885 -5.940) 7.691 11.075 ( 0.000 -2.649 4.683) 5.380 11.075 ( 0.000 2.649 4.683) 5.380 11.340 ( 0.000 -3.110 -2.725) 4.135 11.340 ( 0.000 3.110 -2.725) 4.135 17.496 ( 0.000 -5.819 1.857) 6.108 17.496 ( 0.000 5.819 1.857) 6.108 17.609 ( 0.000 -6.152 -5.150) 8.023 17.609 ( 0.000 6.152 -5.150) 8.023 18.803 ( 0.000 -6.802 8.344) 10.765 18.803 ( 0.000 6.802 8.344) 10.765 18.952 ( 0.000 -9.109 -5.202) 10.490 18.952 ( 0.000 9.109 -5.202) 10.490 20.974 ( 0.000 -10.184 1.224) 10.258 20.974 ( 0.000 10.184 1.224) 10.258 21.021 ( 0.000 -8.970 -1.114) 9.038 21.021 ( 0.000 8.970 -1.114) 9.038 ======================= Grid point 200 (72/75) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.478 -1.965 2.563) 5.522 1.711 ( 4.478 1.965 2.563) 5.522 1.919 ( 0.169 -1.628 -3.314) 3.696 1.919 ( 0.169 1.628 -3.314) 3.696 2.651 ( -1.853 -7.710 3.204) 8.552 2.651 ( -1.853 7.710 3.204) 8.552 2.767 ( -0.542 -3.483 -2.263) 4.189 2.767 ( -0.542 3.483 -2.263) 4.189 2.909 ( 5.292 -6.463 -1.236) 8.444 2.909 ( 5.292 6.463 -1.236) 8.444 3.148 ( 3.711 -8.276 0.020) 9.070 3.148 ( 3.711 8.276 0.020) 9.070 3.258 ( 2.785 -4.361 0.842) 5.243 3.258 ( 2.785 4.361 0.842) 5.243 3.367 ( 1.244 -4.948 -5.360) 7.400 3.367 ( 1.244 4.948 -5.360) 7.400 3.883 ( 2.301 -0.181 4.144) 4.743 3.883 ( 2.301 0.181 4.144) 4.743 4.003 ( 5.683 -0.924 -1.322) 5.908 4.003 ( 5.683 0.924 -1.322) 5.908 4.267 ( 3.868 -1.615 3.290) 5.328 4.267 ( 3.868 1.615 3.290) 5.328 4.371 ( 2.460 -3.574 -6.891) 8.143 4.371 ( 2.460 3.574 -6.891) 8.143 4.843 ( -1.560 -5.630 5.833) 8.255 4.843 ( -1.560 5.630 5.833) 8.255 4.917 ( -2.203 -2.653 1.753) 3.868 4.917 ( -2.203 2.653 1.753) 3.868 5.129 ( -0.858 -7.984 5.915) 9.974 5.129 ( -0.858 7.984 5.915) 9.974 5.204 ( 0.517 -3.206 -2.220) 3.934 5.204 ( 0.517 3.206 -2.220) 3.934 5.552 ( 8.069 -3.662 1.178) 8.939 5.552 ( 8.069 3.662 1.178) 8.939 5.718 ( 8.519 -2.483 1.569) 9.011 5.718 ( 8.519 2.483 1.569) 9.011 6.222 ( -1.902 -13.552 -1.708) 13.791 6.222 ( -1.902 13.552 -1.708) 13.791 6.336 ( -1.004 -1.152 -2.136) 2.626 6.336 ( -1.004 1.152 -2.136) 2.626 6.482 ( -2.486 -3.209 -4.514) 6.071 6.482 ( -2.486 3.209 -4.514) 6.071 6.580 ( -0.210 -2.208 -5.470) 5.902 6.580 ( -0.210 2.208 -5.470) 5.902 7.188 ( -1.595 -10.438 5.105) 11.728 7.188 ( -1.595 10.438 5.105) 11.728 7.246 ( -1.678 -9.799 1.745) 10.093 7.246 ( -1.678 9.799 1.745) 10.093 7.329 ( -1.109 -7.213 -2.605) 7.748 7.329 ( -1.109 7.213 -2.605) 7.748 7.493 ( -3.043 -2.925 -4.895) 6.464 7.493 ( -3.043 2.925 -4.895) 6.464 7.854 ( -3.867 -3.863 6.477) 8.475 7.854 ( -3.867 3.863 6.477) 8.475 7.974 ( -6.957 -5.840 -1.348) 9.183 7.974 ( -6.957 5.840 -1.348) 9.183 8.268 ( 1.522 -4.217 7.405) 8.657 8.268 ( 1.522 4.217 7.405) 8.657 8.401 ( 1.600 -5.337 -5.713) 7.980 8.401 ( 1.600 5.337 -5.713) 7.980 8.578 ( -4.959 -0.732 0.121) 5.015 8.578 ( -4.959 0.732 0.121) 5.015 8.923 ( -7.477 -2.340 1.640) 8.005 8.923 ( -7.477 2.340 1.640) 8.005 9.832 ( 4.828 -1.514 1.678) 5.331 9.832 ( 4.828 1.514 1.678) 5.331 9.924 ( 6.063 -6.221 -7.439) 11.436 9.924 ( 6.063 6.221 -7.439) 11.436 11.056 ( -1.925 -3.858 4.823) 6.470 11.056 ( -1.925 3.858 4.823) 6.470 11.290 ( -4.952 -4.802 -2.355) 7.289 11.290 ( -4.952 4.802 -2.355) 7.289 17.506 ( 0.989 -5.409 1.826) 5.794 17.506 ( 0.989 5.409 1.826) 5.794 17.614 ( 0.396 -5.686 -4.993) 7.578 17.614 ( 0.396 5.686 -4.993) 7.578 18.797 ( -0.557 -6.307 7.780) 10.031 18.797 ( -0.557 6.307 7.780) 10.031 18.936 ( -1.597 -8.664 -4.837) 10.051 18.936 ( -1.597 8.664 -4.837) 10.051 20.962 ( -1.228 -10.657 1.110) 10.785 20.962 ( -1.228 10.657 1.110) 10.785 21.003 ( -1.741 -9.596 -0.991) 9.803 21.003 ( -1.741 9.596 -0.991) 9.803 ======================= Grid point 202 (73/75) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.418 -2.461 2.855) 5.808 1.802 ( 4.418 2.461 2.855) 5.808 1.935 ( 1.284 -1.965 -2.370) 3.336 1.935 ( 1.284 1.965 -2.370) 3.336 2.620 ( -0.973 -8.320 4.075) 9.316 2.620 ( -0.973 8.320 4.075) 9.316 2.753 ( -0.764 -3.620 -3.332) 4.979 2.753 ( -0.764 3.620 -3.332) 4.979 3.030 ( 6.933 -5.690 -1.575) 9.107 3.030 ( 6.933 5.690 -1.575) 9.107 3.221 ( 3.135 -9.197 3.828) 10.443 3.221 ( 3.135 9.197 3.828) 10.443 3.297 ( 0.296 -4.976 -2.890) 5.762 3.297 ( 0.296 4.976 -2.890) 5.762 3.404 ( 2.489 -2.275 -3.498) 4.858 3.404 ( 2.489 2.275 -3.498) 4.858 3.957 ( 5.017 -0.823 1.930) 5.438 3.957 ( 5.017 0.823 1.930) 5.438 4.093 ( 0.960 -1.680 0.242) 1.950 4.093 ( 0.960 1.680 0.242) 1.950 4.354 ( 9.103 -3.418 -1.972) 9.922 4.354 ( 9.103 3.418 -1.972) 9.922 4.476 ( 6.214 -2.620 -2.118) 7.069 4.476 ( 6.214 2.620 -2.118) 7.069 4.828 ( -0.419 -1.422 3.531) 3.830 4.828 ( -0.419 1.422 3.531) 3.830 4.874 ( -1.796 -5.149 1.457) 5.645 4.874 ( -1.796 5.149 1.457) 5.645 5.148 ( 2.247 -2.517 3.638) 4.962 5.148 ( 2.247 2.517 3.638) 4.962 5.236 ( 4.407 -1.501 -3.394) 5.761 5.236 ( 4.407 1.501 -3.394) 5.761 5.732 ( 9.686 -10.194 5.788) 15.207 5.732 ( 9.686 10.194 5.788) 15.207 5.922 ( 11.054 -0.554 5.307) 12.274 5.922 ( 11.054 0.554 5.307) 12.274 6.167 ( -3.924 -11.587 -1.386) 12.312 6.167 ( -3.924 11.587 -1.386) 12.312 6.263 ( -5.453 -6.513 -4.183) 9.468 6.263 ( -5.453 6.513 -4.183) 9.468 6.469 ( 1.255 -5.187 2.613) 5.942 6.469 ( 1.255 5.187 2.613) 5.942 6.575 ( 0.331 -3.916 -8.371) 9.247 6.575 ( 0.331 3.916 -8.371) 9.247 7.145 ( -3.032 -9.205 3.836) 10.423 7.145 ( -3.032 9.205 3.836) 10.423 7.199 ( -3.119 -6.367 -2.024) 7.373 7.199 ( -3.119 6.367 -2.023) 7.373 7.298 ( -2.569 -8.922 -0.005) 9.285 7.298 ( -2.569 8.922 -0.005) 9.285 7.408 ( -6.136 -9.022 -4.341) 11.743 7.408 ( -6.136 9.022 -4.341) 11.743 7.719 ( -9.538 -9.275 3.364) 13.723 7.719 ( -9.538 9.275 3.364) 13.723 7.819 ( -7.926 -9.874 -5.662) 13.870 7.819 ( -7.926 9.874 -5.662) 13.870 8.296 ( 0.458 -5.645 7.055) 9.047 8.296 ( 0.458 5.645 7.055) 9.047 8.386 ( -3.651 -6.355 -1.429) 7.467 8.386 ( -3.651 6.355 -1.429) 7.467 8.520 ( 0.554 -1.393 0.013) 1.500 8.520 ( 0.554 1.393 0.013) 1.500 8.772 ( -7.137 -0.721 1.228) 7.278 8.772 ( -7.137 0.721 1.228) 7.278 9.943 ( 6.452 -1.731 2.052) 6.988 9.943 ( 6.452 1.731 2.052) 6.988 10.059 ( 6.999 -5.787 -7.975) 12.086 10.059 ( 6.999 5.787 -7.975) 12.086 11.006 ( -3.048 -7.194 5.149) 9.357 11.006 ( -3.048 7.194 5.149) 9.357 11.166 ( -7.383 -8.279 -1.516) 11.196 11.166 ( -7.383 8.279 -1.516) 11.196 17.533 ( 1.727 -4.187 1.540) 4.784 17.533 ( 1.727 4.187 1.540) 4.784 17.621 ( 0.281 -4.374 -4.322) 6.156 17.621 ( 0.281 4.374 -4.322) 6.156 18.785 ( -0.530 -5.082 6.144) 7.992 18.785 ( -0.530 5.082 6.144) 7.992 18.895 ( -2.592 -7.444 -3.723) 8.717 18.895 ( -2.592 7.444 -3.723) 8.717 20.932 ( -1.710 -11.690 0.816) 11.842 20.932 ( -1.710 11.690 0.816) 11.842 20.961 ( -2.469 -10.966 -0.684) 11.261 20.961 ( -2.469 10.966 -0.684) 11.261 ======================= Grid point 204 (74/75) ======================= q-point: ( 0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.967 -2.540 2.097) 4.433 1.872 ( 2.967 2.540 2.097) 4.433 1.949 ( -0.292 -2.331 -0.736) 2.461 1.949 ( -0.292 2.331 -0.736) 2.461 2.630 ( 2.262 -4.519 2.201) 5.512 2.630 ( 2.262 4.519 2.201) 5.512 2.737 ( -1.233 -1.495 -2.269) 2.984 2.737 ( -1.233 1.495 -2.269) 2.984 3.151 ( 5.084 -7.893 1.208) 9.466 3.151 ( 5.084 7.893 1.208) 9.466 3.251 ( -0.364 -9.644 3.124) 10.144 3.251 ( -0.364 9.644 3.124) 10.144 3.295 ( 0.923 -1.795 -2.825) 3.472 3.295 ( 0.923 1.796 -2.825) 3.472 3.417 ( -1.961 -1.071 -2.246) 3.168 3.417 ( -1.961 1.071 -2.246) 3.168 4.059 ( 4.601 -1.892 1.116) 5.098 4.059 ( 4.601 1.892 1.116) 5.098 4.100 ( 2.539 -4.171 -2.816) 5.637 4.100 ( 2.539 4.171 -2.816) 5.637 4.525 ( 0.036 -5.448 1.144) 5.567 4.525 ( 0.036 5.448 1.144) 5.567 4.565 ( 6.087 -7.126 -1.504) 9.491 4.565 ( 6.087 7.126 -1.504) 9.491 4.817 ( 1.309 -2.651 0.110) 2.959 4.817 ( 1.309 2.651 0.110) 2.959 4.878 ( 1.941 -2.237 -0.671) 3.037 4.878 ( 1.941 2.237 -0.671) 3.037 5.229 ( 7.010 -5.566 1.252) 9.038 5.229 ( 7.010 5.566 1.252) 9.038 5.387 ( 9.786 -3.234 -0.739) 10.333 5.387 ( 9.786 3.234 -0.739) 10.333 5.776 ( -6.406 -6.183 2.404) 9.222 5.776 ( -6.406 6.183 2.404) 9.222 6.012 ( -11.671 -1.426 0.045) 11.758 6.012 ( -11.671 1.426 0.045) 11.758 6.157 ( 14.182 -16.771 11.141) 24.628 6.157 ( 14.182 16.771 11.141) 24.628 6.282 ( 6.197 -9.821 2.623) 11.905 6.282 ( 6.197 9.821 2.623) 11.905 6.511 ( 3.694 -4.723 3.370) 6.878 6.511 ( 3.694 4.723 3.370) 6.878 6.632 ( 6.620 -9.266 -10.163) 15.263 6.632 ( 6.620 9.266 -10.163) 15.263 7.034 ( -10.264 -10.606 2.681) 15.001 7.034 ( -10.264 10.606 2.681) 15.001 7.102 ( -10.234 -7.914 -3.743) 13.468 7.102 ( -10.234 7.915 -3.743) 13.468 7.218 ( -3.976 -8.630 0.811) 9.537 7.218 ( -3.976 8.630 0.811) 9.537 7.264 ( -5.988 -7.369 -4.069) 10.330 7.264 ( -5.988 7.369 -4.069) 10.330 7.588 ( -2.451 -9.683 -2.629) 10.328 7.588 ( -2.451 9.683 -2.629) 10.328 7.685 ( -5.793 -10.740 -7.885) 14.529 7.685 ( -5.793 10.740 -7.885) 14.529 8.275 ( -1.561 -2.484 4.911) 5.720 8.275 ( -1.561 2.484 4.911) 5.720 8.320 ( -3.069 -4.564 1.827) 5.796 8.320 ( -3.069 4.564 1.827) 5.796 8.561 ( 2.827 -2.210 2.592) 4.427 8.561 ( 2.827 2.210 2.592) 4.427 8.671 ( -3.556 -1.966 0.575) 4.103 8.671 ( -3.556 1.966 0.575) 4.103 10.069 ( 6.295 -2.791 0.151) 6.888 10.069 ( 6.295 2.791 0.151) 6.888 10.162 ( 3.104 -4.548 -6.650) 8.634 10.162 ( 3.104 4.548 -6.650) 8.634 10.952 ( -2.040 -12.632 4.837) 13.679 10.952 ( -2.040 12.632 4.837) 13.679 11.031 ( -6.149 -13.016 -0.216) 14.397 11.031 ( -6.149 13.016 -0.216) 14.397 17.569 ( 1.925 -2.298 0.629) 3.063 17.569 ( 1.925 2.298 0.629) 3.063 17.620 ( -0.464 -2.456 -2.896) 3.826 17.620 ( -0.464 2.456 -2.896) 3.826 18.782 ( 0.334 -3.996 3.644) 5.418 18.782 ( 0.334 3.996 3.644) 5.418 18.843 ( -2.600 -5.777 -1.829) 6.594 18.843 ( -2.600 5.777 -1.829) 6.594 20.903 ( -1.090 -12.585 0.445) 12.639 20.903 ( -1.090 12.585 0.445) 12.640 20.917 ( -1.850 -12.228 -0.311) 12.371 20.917 ( -1.850 12.228 -0.311) 12.371 ======================= Grid point 206 (75/75) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -1.760 -3.769 0.806) 4.236 1.922 ( 1.039 -3.701 0.806) 3.928 1.922 ( -1.039 3.701 0.806) 3.928 1.922 ( 1.760 3.769 0.806) 4.236 2.692 ( -3.285 -1.113 -0.239) 3.477 2.692 ( -2.481 0.282 -0.239) 2.508 2.692 ( 2.481 -0.282 -0.239) 2.508 2.692 ( 3.285 1.113 -0.239) 3.477 3.220 ( -2.311 -9.188 2.873) 9.900 3.220 ( 2.203 -9.182 2.873) 9.870 3.220 ( -2.203 9.182 2.873) 9.870 3.220 ( 2.311 9.188 2.873) 9.900 3.348 ( -4.076 -2.158 -2.381) 5.190 3.348 ( 0.762 -0.807 -2.381) 2.627 3.348 ( -0.762 0.807 -2.381) 2.627 3.348 ( 4.076 2.158 -2.381) 5.190 4.128 ( -1.733 -1.237 -1.389) 2.542 4.128 ( 0.203 -0.889 -1.389) 1.661 4.128 ( -0.203 0.889 -1.389) 1.661 4.128 ( 1.733 1.237 -1.389) 2.542 4.544 ( -2.033 -11.641 -0.047) 11.818 4.544 ( 1.140 -11.611 -0.047) 11.667 4.544 ( -1.140 11.611 -0.047) 11.667 4.544 ( 2.033 11.641 -0.047) 11.818 4.888 ( -1.237 -5.223 -0.978) 5.456 4.888 ( 0.354 -5.189 -0.978) 5.293 4.888 ( -0.354 5.189 -0.978) 5.293 4.888 ( 1.237 5.223 -0.978) 5.456 5.415 ( -5.661 -7.596 -0.159) 9.475 5.415 ( -4.067 -7.337 -0.159) 8.390 5.415 ( 4.067 7.337 -0.159) 8.390 5.415 ( 5.661 7.596 -0.159) 9.475 5.770 ( -7.071 -9.875 2.565) 12.414 5.770 ( -2.110 -9.281 2.565) 9.857 5.770 ( 2.110 9.281 2.565) 9.857 5.770 ( 7.071 9.875 2.565) 12.414 6.339 ( -1.735 -2.768 6.376) 7.165 6.339 ( 0.377 -2.635 6.376) 6.910 6.339 ( -0.377 2.635 6.376) 6.910 6.339 ( 1.735 2.768 6.376) 7.165 6.702 ( -14.013 -17.337 4.623) 22.766 6.702 ( 11.832 -16.925 4.623) 21.162 6.702 ( -11.832 16.925 4.623) 21.162 6.702 ( 14.013 17.337 4.623) 22.766 6.862 ( -10.221 -8.268 -5.980) 14.443 6.862 ( 10.177 -8.255 -5.980) 14.404 6.862 ( -10.177 8.255 -5.980) 14.404 6.862 ( 10.221 8.268 -5.980) 14.443 7.201 ( -1.246 -3.239 -3.554) 4.967 7.201 ( 1.239 -3.239 -3.554) 4.965 7.201 ( -1.239 3.239 -3.554) 4.965 7.201 ( 1.246 3.239 -3.554) 4.967 7.601 ( -2.156 -14.760 -6.427) 16.242 7.601 ( 1.866 -14.750 -6.427) 16.197 7.601 ( -1.866 14.750 -6.427) 16.197 7.601 ( 2.156 14.760 -6.427) 16.242 8.272 ( -1.417 -1.739 3.621) 4.259 8.272 ( 1.364 -1.729 3.621) 4.238 8.272 ( -1.364 1.729 3.621) 4.238 8.272 ( 1.417 1.739 3.621) 4.259 8.615 ( -2.206 -3.977 1.942) 4.945 8.615 ( 1.179 -3.866 1.942) 4.485 8.615 ( -1.179 3.866 1.942) 4.485 8.615 ( 2.206 3.977 1.942) 4.945 10.164 ( -2.723 -4.492 -3.348) 6.229 10.164 ( 2.232 -4.423 -3.348) 5.980 10.164 ( -2.232 4.423 -3.348) 5.980 10.164 ( 2.723 4.492 -3.348) 6.229 10.949 ( -1.806 -18.453 2.420) 18.698 10.949 ( 1.745 -18.451 2.420) 18.691 10.949 ( -1.745 18.451 2.420) 18.691 10.949 ( 1.806 18.453 2.420) 18.698 17.602 ( -1.351 -0.695 -1.005) 1.822 17.602 ( -0.350 -0.241 -1.005) 1.091 17.602 ( 0.350 0.241 -1.005) 1.091 17.602 ( 1.351 0.695 -1.005) 1.822 18.801 ( -1.594 -4.495 0.766) 4.831 18.801 ( 1.533 -4.490 0.766) 4.806 18.801 ( -1.533 4.490 0.766) 4.806 18.801 ( 1.594 4.495 0.766) 4.831 20.895 ( -0.280 -16.662 0.066) 16.664 20.895 ( 0.276 -16.662 0.066) 16.664 20.895 ( -0.276 16.662 0.066) 16.664 20.895 ( 0.280 16.662 0.066) 16.664 =================== 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 3/26880 10.0 501.653 561.313 581.289 0.000 0.000 -0.000 3/26880 20.0 77.491 88.342 74.820 0.000 0.000 -0.000 3/26880 30.0 26.718 33.561 23.812 0.000 0.000 -0.000 3/26880 40.0 13.980 18.568 11.886 0.000 0.000 -0.000 3/26880 50.0 8.987 12.316 7.395 0.000 0.000 -0.000 3/26880 60.0 6.501 9.079 5.218 0.000 0.000 -0.000 3/26880 70.0 5.067 7.166 3.989 0.000 0.000 -0.000 3/26880 80.0 4.153 5.928 3.221 0.000 0.000 -0.000 3/26880 90.0 3.526 5.071 2.704 0.000 0.000 -0.000 3/26880 100.0 3.071 4.447 2.335 0.000 0.000 -0.000 3/26880 110.0 2.726 3.971 2.060 0.000 0.000 -0.000 3/26880 120.0 2.456 3.598 1.847 0.000 0.000 -0.000 3/26880 130.0 2.238 3.296 1.678 0.000 0.000 -0.000 3/26880 140.0 2.059 3.046 1.540 0.000 0.000 -0.000 3/26880 150.0 1.908 2.836 1.424 0.000 0.000 -0.000 3/26880 160.0 1.779 2.656 1.327 0.000 0.000 -0.000 3/26880 170.0 1.668 2.500 1.243 0.000 0.000 -0.000 3/26880 180.0 1.570 2.364 1.170 0.000 0.000 -0.000 3/26880 190.0 1.484 2.243 1.106 0.000 0.000 -0.000 3/26880 200.0 1.408 2.135 1.049 0.000 0.000 -0.000 3/26880 210.0 1.339 2.039 0.998 0.000 0.000 -0.000 3/26880 220.0 1.277 1.951 0.952 0.000 0.000 -0.000 3/26880 230.0 1.221 1.872 0.910 0.000 0.000 -0.000 3/26880 240.0 1.170 1.799 0.872 0.000 0.000 -0.000 3/26880 250.0 1.123 1.732 0.838 0.000 0.000 -0.000 3/26880 260.0 1.080 1.670 0.806 0.000 0.000 -0.000 3/26880 270.0 1.040 1.613 0.776 0.000 0.000 -0.000 3/26880 280.0 1.003 1.559 0.749 0.000 0.000 -0.000 3/26880 290.0 0.969 1.510 0.724 0.000 0.000 -0.000 3/26880 300.0 0.937 1.463 0.700 0.000 0.000 -0.000 3/26880 310.0 0.907 1.420 0.678 0.000 0.000 -0.000 3/26880 320.0 0.879 1.379 0.657 0.000 0.000 -0.000 3/26880 330.0 0.853 1.340 0.638 0.000 0.000 -0.000 3/26880 340.0 0.828 1.304 0.620 0.000 0.000 -0.000 3/26880 350.0 0.805 1.269 0.602 0.000 0.000 -0.000 3/26880 360.0 0.783 1.237 0.586 0.000 0.000 -0.000 3/26880 370.0 0.762 1.206 0.571 0.000 0.000 -0.000 3/26880 380.0 0.742 1.176 0.556 0.000 0.000 -0.000 3/26880 390.0 0.723 1.148 0.542 0.000 0.000 -0.000 3/26880 400.0 0.705 1.121 0.529 0.000 0.000 -0.000 3/26880 410.0 0.689 1.096 0.516 0.000 0.000 -0.000 3/26880 420.0 0.672 1.071 0.504 0.000 0.000 -0.000 3/26880 430.0 0.657 1.048 0.493 0.000 0.000 -0.000 3/26880 440.0 0.642 1.026 0.482 0.000 0.000 -0.000 3/26880 450.0 0.628 1.004 0.471 0.000 0.000 -0.000 3/26880 460.0 0.615 0.984 0.461 0.000 0.000 -0.000 3/26880 470.0 0.602 0.964 0.452 0.000 0.000 -0.000 3/26880 480.0 0.589 0.945 0.443 0.000 0.000 -0.000 3/26880 490.0 0.578 0.927 0.434 0.000 0.000 -0.000 3/26880 500.0 0.566 0.909 0.425 0.000 0.000 -0.000 3/26880 510.0 0.555 0.893 0.417 0.000 0.000 -0.000 3/26880 520.0 0.545 0.876 0.409 0.000 0.000 -0.000 3/26880 530.0 0.535 0.861 0.402 0.000 0.000 -0.000 3/26880 540.0 0.525 0.845 0.394 0.000 0.000 -0.000 3/26880 550.0 0.515 0.831 0.387 0.000 0.000 -0.000 3/26880 560.0 0.506 0.817 0.381 0.000 0.000 -0.000 3/26880 570.0 0.498 0.803 0.374 0.000 0.000 -0.000 3/26880 580.0 0.489 0.790 0.368 0.000 0.000 -0.000 3/26880 590.0 0.481 0.777 0.362 0.000 0.000 -0.000 3/26880 600.0 0.473 0.764 0.356 0.000 0.000 -0.000 3/26880 610.0 0.465 0.752 0.350 0.000 0.000 -0.000 3/26880 620.0 0.458 0.741 0.344 0.000 0.000 -0.000 3/26880 630.0 0.451 0.730 0.339 0.000 0.000 -0.000 3/26880 640.0 0.444 0.719 0.334 0.000 0.000 -0.000 3/26880 650.0 0.437 0.708 0.329 0.000 0.000 -0.000 3/26880 660.0 0.430 0.698 0.324 0.000 0.000 -0.000 3/26880 670.0 0.424 0.688 0.319 0.000 0.000 -0.000 3/26880 680.0 0.418 0.678 0.314 0.000 0.000 -0.000 3/26880 690.0 0.412 0.668 0.310 0.000 0.000 -0.000 3/26880 700.0 0.406 0.659 0.306 0.000 0.000 -0.000 3/26880 710.0 0.400 0.650 0.301 0.000 0.000 -0.000 3/26880 720.0 0.395 0.641 0.297 0.000 0.000 -0.000 3/26880 730.0 0.389 0.633 0.293 0.000 0.000 -0.000 3/26880 740.0 0.384 0.625 0.289 0.000 0.000 -0.000 3/26880 750.0 0.379 0.616 0.286 0.000 0.000 -0.000 3/26880 760.0 0.374 0.609 0.282 0.000 0.000 -0.000 3/26880 770.0 0.369 0.601 0.278 0.000 0.000 -0.000 3/26880 780.0 0.365 0.593 0.275 0.000 0.000 -0.000 3/26880 790.0 0.360 0.586 0.271 0.000 0.000 -0.000 3/26880 800.0 0.356 0.579 0.268 0.000 0.000 -0.000 3/26880 810.0 0.351 0.572 0.265 0.000 0.000 -0.000 3/26880 820.0 0.347 0.565 0.261 0.000 0.000 -0.000 3/26880 830.0 0.343 0.559 0.258 0.000 0.000 -0.000 3/26880 840.0 0.339 0.552 0.255 0.000 0.000 -0.000 3/26880 850.0 0.335 0.546 0.252 0.000 0.000 -0.000 3/26880 860.0 0.331 0.540 0.249 0.000 0.000 -0.000 3/26880 870.0 0.327 0.534 0.247 0.000 0.000 -0.000 3/26880 880.0 0.324 0.528 0.244 0.000 0.000 -0.000 3/26880 890.0 0.320 0.522 0.241 0.000 0.000 -0.000 3/26880 900.0 0.316 0.516 0.238 0.000 0.000 -0.000 3/26880 910.0 0.313 0.511 0.236 0.000 0.000 -0.000 3/26880 920.0 0.310 0.505 0.233 0.000 0.000 -0.000 3/26880 930.0 0.306 0.500 0.231 0.000 0.000 -0.000 3/26880 940.0 0.303 0.495 0.228 0.000 0.000 -0.000 3/26880 950.0 0.300 0.490 0.226 0.000 0.000 -0.000 3/26880 960.0 0.297 0.485 0.224 0.000 0.000 -0.000 3/26880 970.0 0.294 0.480 0.221 0.000 0.000 -0.000 3/26880 980.0 0.291 0.475 0.219 0.000 0.000 -0.000 3/26880 990.0 0.288 0.470 0.217 0.000 0.000 -0.000 3/26880 1000.0 0.285 0.466 0.215 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:51:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|