----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:53:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.870391929999999 -2.834647850000000 0.000000000000000 b 4.870391929999999 2.834647850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.704546490000000 Atomic positions (fractional): *1 N 0.10950586869037 0.89049413130963 0.34696371217938 14.007 2 N 0.89049413130963 0.10950586869037 0.84696371217938 14.007 *3 N 0.55598502758794 0.16266024329496 0.42086250787332 14.007 4 N 0.44401497241206 0.83733975670504 0.92086250787332 14.007 5 N 0.83733975670504 0.44401497241206 0.42086250787332 14.007 6 N 0.16266024329496 0.55598502758794 0.92086250787332 14.007 *7 Mg 0.49719366195503 0.82933322005703 0.46951836985282 24.305 8 Mg 0.17066677994297 0.50280633804497 0.46951836985282 24.305 9 Mg 0.50280633804497 0.17066677994297 0.96951836985282 24.305 10 Mg 0.82933322005703 0.49719366195503 0.96951836985282 24.305 *11 P 0.83812142166253 0.16187857833747 0.49217452236836 30.974 12 P 0.16187857833747 0.83812142166253 0.99217452236836 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.740783859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.669295700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.704546490000000 Atomic positions (fractional): *1 N 0.50000000000000 0.39049413130963 0.34696371217938 14.007 > 1 2 N 0.50000000000000 0.60950586869037 0.84696371217938 14.007 > 2 *3 N 0.35932263544145 0.80333760785351 0.42086250787332 14.007 > 3 4 N 0.64067736455855 0.19666239214649 0.92086250787332 14.007 > 4 5 N 0.64067736455855 0.80333760785351 0.42086250787332 14.007 > 5 6 N 0.35932263544145 0.19666239214649 0.92086250787332 14.007 > 6 7 N 0.00000000000000 0.89049413130963 0.34696371217938 14.007 > 1 8 N 0.00000000000000 0.10950586869037 0.84696371217938 14.007 > 2 9 N 0.85932263544145 0.30333760785351 0.42086250787332 14.007 > 3 10 N 0.14067736455855 0.69666239214649 0.92086250787332 14.007 > 4 11 N 0.14067736455855 0.30333760785351 0.42086250787332 14.007 > 5 12 N 0.85932263544145 0.69666239214649 0.92086250787332 14.007 > 6 *13 Mg 0.66326344100603 0.16606977905100 0.46951836985282 24.305 > 7 14 Mg 0.33673655899397 0.16606977905100 0.46951836985282 24.305 > 8 15 Mg 0.33673655899397 0.83393022094900 0.96951836985282 24.305 > 9 16 Mg 0.66326344100603 0.83393022094900 0.96951836985282 24.305 > 10 17 Mg 0.16326344100603 0.66606977905100 0.46951836985282 24.305 > 7 18 Mg 0.83673655899397 0.66606977905100 0.46951836985282 24.305 > 8 19 Mg 0.83673655899397 0.33393022094900 0.96951836985282 24.305 > 9 20 Mg 0.16326344100603 0.33393022094900 0.96951836985282 24.305 > 10 *21 P 0.50000000000000 0.66187857833747 0.49217452236836 30.974 > 11 22 P 0.50000000000000 0.33812142166253 0.99217452236836 30.974 > 12 23 P 0.00000000000000 0.16187857833747 0.49217452236836 30.974 > 11 24 P 0.00000000000000 0.83812142166253 0.99217452236836 30.974 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.740783859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.338591400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.113639470000001 Atomic positions (fractional): *1 N 0.50000000000000 0.19524706565482 0.11565457072646 14.007 > 1 2 N 0.50000000000000 0.69524706565482 0.11565457072646 14.007 > 1 3 N 0.50000000000000 0.19524706565482 0.44898790405979 14.007 > 1 4 N 0.50000000000000 0.69524706565482 0.44898790405979 14.007 > 1 5 N 0.50000000000000 0.19524706565482 0.78232123739313 14.007 > 1 6 N 0.50000000000000 0.69524706565482 0.78232123739313 14.007 > 1 7 N 0.50000000000000 0.30475293434518 0.28232123739313 14.007 > 2 8 N 0.50000000000000 0.80475293434518 0.28232123739313 14.007 > 2 9 N 0.50000000000000 0.30475293434518 0.61565457072646 14.007 > 2 10 N 0.50000000000000 0.80475293434518 0.61565457072646 14.007 > 2 11 N 0.50000000000000 0.30475293434518 0.94898790405979 14.007 > 2 12 N 0.50000000000000 0.80475293434518 0.94898790405979 14.007 > 2 *13 N 0.35932263544145 0.40166880392676 0.14028750262444 14.007 > 3 14 N 0.35932263544145 0.90166880392676 0.14028750262444 14.007 > 3 15 N 0.35932263544145 0.40166880392676 0.47362083595777 14.007 > 3 16 N 0.35932263544145 0.90166880392676 0.47362083595777 14.007 > 3 17 N 0.35932263544145 0.40166880392676 0.80695416929111 14.007 > 3 18 N 0.35932263544145 0.90166880392676 0.80695416929111 14.007 > 3 19 N 0.64067736455855 0.09833119607325 0.30695416929111 14.007 > 4 20 N 0.64067736455855 0.59833119607325 0.30695416929111 14.007 > 4 21 N 0.64067736455855 0.09833119607325 0.64028750262444 14.007 > 4 22 N 0.64067736455855 0.59833119607325 0.64028750262444 14.007 > 4 23 N 0.64067736455855 0.09833119607325 0.97362083595777 14.007 > 4 24 N 0.64067736455855 0.59833119607325 0.97362083595777 14.007 > 4 25 N 0.64067736455855 0.40166880392676 0.14028750262444 14.007 > 5 26 N 0.64067736455855 0.90166880392676 0.14028750262444 14.007 > 5 27 N 0.64067736455855 0.40166880392676 0.47362083595777 14.007 > 5 28 N 0.64067736455855 0.90166880392676 0.47362083595777 14.007 > 5 29 N 0.64067736455855 0.40166880392676 0.80695416929111 14.007 > 5 30 N 0.64067736455855 0.90166880392676 0.80695416929111 14.007 > 5 31 N 0.35932263544145 0.09833119607325 0.30695416929111 14.007 > 6 32 N 0.35932263544145 0.59833119607325 0.30695416929111 14.007 > 6 33 N 0.35932263544145 0.09833119607325 0.64028750262444 14.007 > 6 34 N 0.35932263544145 0.59833119607325 0.64028750262444 14.007 > 6 35 N 0.35932263544145 0.09833119607325 0.97362083595777 14.007 > 6 36 N 0.35932263544145 0.59833119607325 0.97362083595777 14.007 > 6 37 N 0.00000000000000 0.44524706565482 0.11565457072646 14.007 > 1 38 N 0.00000000000000 0.94524706565482 0.11565457072646 14.007 > 1 39 N 0.00000000000000 0.44524706565482 0.44898790405979 14.007 > 1 40 N 0.00000000000000 0.94524706565482 0.44898790405979 14.007 > 1 41 N 0.00000000000000 0.44524706565482 0.78232123739313 14.007 > 1 42 N 0.00000000000000 0.94524706565482 0.78232123739313 14.007 > 1 43 N 0.00000000000000 0.05475293434518 0.28232123739313 14.007 > 2 44 N 0.00000000000000 0.55475293434518 0.28232123739313 14.007 > 2 45 N 0.00000000000000 0.05475293434518 0.61565457072646 14.007 > 2 46 N 0.00000000000000 0.55475293434518 0.61565457072646 14.007 > 2 47 N 0.00000000000000 0.05475293434518 0.94898790405979 14.007 > 2 48 N 0.00000000000000 0.55475293434518 0.94898790405979 14.007 > 2 49 N 0.85932263544145 0.15166880392675 0.14028750262444 14.007 > 3 50 N 0.85932263544145 0.65166880392675 0.14028750262444 14.007 > 3 51 N 0.85932263544145 0.15166880392675 0.47362083595777 14.007 > 3 52 N 0.85932263544145 0.65166880392675 0.47362083595777 14.007 > 3 53 N 0.85932263544145 0.15166880392675 0.80695416929111 14.007 > 3 54 N 0.85932263544145 0.65166880392675 0.80695416929111 14.007 > 3 55 N 0.14067736455855 0.34833119607324 0.30695416929111 14.007 > 4 56 N 0.14067736455855 0.84833119607324 0.30695416929111 14.007 > 4 57 N 0.14067736455855 0.34833119607324 0.64028750262444 14.007 > 4 58 N 0.14067736455855 0.84833119607324 0.64028750262444 14.007 > 4 59 N 0.14067736455855 0.34833119607324 0.97362083595777 14.007 > 4 60 N 0.14067736455855 0.84833119607324 0.97362083595777 14.007 > 4 61 N 0.14067736455855 0.15166880392675 0.14028750262444 14.007 > 5 62 N 0.14067736455855 0.65166880392675 0.14028750262444 14.007 > 5 63 N 0.14067736455855 0.15166880392675 0.47362083595777 14.007 > 5 64 N 0.14067736455855 0.65166880392675 0.47362083595777 14.007 > 5 65 N 0.14067736455855 0.15166880392675 0.80695416929111 14.007 > 5 66 N 0.14067736455855 0.65166880392675 0.80695416929111 14.007 > 5 67 N 0.85932263544145 0.34833119607324 0.30695416929111 14.007 > 6 68 N 0.85932263544145 0.84833119607324 0.30695416929111 14.007 > 6 69 N 0.85932263544145 0.34833119607324 0.64028750262444 14.007 > 6 70 N 0.85932263544145 0.84833119607324 0.64028750262444 14.007 > 6 71 N 0.85932263544145 0.34833119607324 0.97362083595777 14.007 > 6 72 N 0.85932263544145 0.84833119607324 0.97362083595777 14.007 > 6 *73 Mg 0.66326344100603 0.08303488952550 0.15650612328427 24.305 > 7 74 Mg 0.66326344100603 0.58303488952550 0.15650612328427 24.305 > 7 75 Mg 0.66326344100603 0.08303488952550 0.48983945661761 24.305 > 7 76 Mg 0.66326344100603 0.58303488952550 0.48983945661761 24.305 > 7 77 Mg 0.66326344100603 0.08303488952550 0.82317278995094 24.305 > 7 78 Mg 0.66326344100603 0.58303488952550 0.82317278995094 24.305 > 7 79 Mg 0.33673655899397 0.08303488952550 0.15650612328427 24.305 > 8 80 Mg 0.33673655899397 0.58303488952550 0.15650612328427 24.305 > 8 81 Mg 0.33673655899397 0.08303488952550 0.48983945661761 24.305 > 8 82 Mg 0.33673655899397 0.58303488952550 0.48983945661761 24.305 > 8 83 Mg 0.33673655899397 0.08303488952550 0.82317278995094 24.305 > 8 84 Mg 0.33673655899397 0.58303488952550 0.82317278995094 24.305 > 8 85 Mg 0.33673655899397 0.41696511047450 0.32317278995094 24.305 > 9 86 Mg 0.33673655899397 0.91696511047450 0.32317278995094 24.305 > 9 87 Mg 0.33673655899397 0.41696511047450 0.65650612328427 24.305 > 9 88 Mg 0.33673655899397 0.91696511047450 0.65650612328427 24.305 > 9 89 Mg 0.33673655899397 0.41696511047450 0.98983945661761 24.305 > 9 90 Mg 0.33673655899397 0.91696511047450 0.98983945661761 24.305 > 9 91 Mg 0.66326344100603 0.41696511047450 0.32317278995094 24.305 > 10 92 Mg 0.66326344100603 0.91696511047450 0.32317278995094 24.305 > 10 93 Mg 0.66326344100603 0.41696511047450 0.65650612328427 24.305 > 10 94 Mg 0.66326344100603 0.91696511047450 0.65650612328427 24.305 > 10 95 Mg 0.66326344100603 0.41696511047450 0.98983945661761 24.305 > 10 96 Mg 0.66326344100603 0.91696511047450 0.98983945661761 24.305 > 10 97 Mg 0.16326344100603 0.33303488952550 0.15650612328427 24.305 > 7 98 Mg 0.16326344100603 0.83303488952550 0.15650612328427 24.305 > 7 99 Mg 0.16326344100603 0.33303488952550 0.48983945661761 24.305 > 7 100 Mg 0.16326344100603 0.83303488952550 0.48983945661761 24.305 > 7 101 Mg 0.16326344100603 0.33303488952550 0.82317278995094 24.305 > 7 102 Mg 0.16326344100603 0.83303488952550 0.82317278995094 24.305 > 7 103 Mg 0.83673655899397 0.33303488952550 0.15650612328427 24.305 > 8 104 Mg 0.83673655899397 0.83303488952550 0.15650612328427 24.305 > 8 105 Mg 0.83673655899397 0.33303488952550 0.48983945661761 24.305 > 8 106 Mg 0.83673655899397 0.83303488952550 0.48983945661761 24.305 > 8 107 Mg 0.83673655899397 0.33303488952550 0.82317278995094 24.305 > 8 108 Mg 0.83673655899397 0.83303488952550 0.82317278995094 24.305 > 8 109 Mg 0.83673655899397 0.16696511047450 0.32317278995094 24.305 > 9 110 Mg 0.83673655899397 0.66696511047450 0.32317278995094 24.305 > 9 111 Mg 0.83673655899397 0.16696511047450 0.65650612328427 24.305 > 9 112 Mg 0.83673655899397 0.66696511047450 0.65650612328427 24.305 > 9 113 Mg 0.83673655899397 0.16696511047450 0.98983945661761 24.305 > 9 114 Mg 0.83673655899397 0.66696511047450 0.98983945661761 24.305 > 9 115 Mg 0.16326344100603 0.16696511047450 0.32317278995094 24.305 > 10 116 Mg 0.16326344100603 0.66696511047450 0.32317278995094 24.305 > 10 117 Mg 0.16326344100603 0.16696511047450 0.65650612328427 24.305 > 10 118 Mg 0.16326344100603 0.66696511047450 0.65650612328427 24.305 > 10 119 Mg 0.16326344100603 0.16696511047450 0.98983945661761 24.305 > 10 120 Mg 0.16326344100603 0.66696511047450 0.98983945661761 24.305 > 10 *121 P 0.50000000000000 0.33093928916874 0.16405817412279 30.974 > 11 122 P 0.50000000000000 0.83093928916874 0.16405817412279 30.974 > 11 123 P 0.50000000000000 0.33093928916874 0.49739150745612 30.974 > 11 124 P 0.50000000000000 0.83093928916874 0.49739150745612 30.974 > 11 125 P 0.50000000000000 0.33093928916874 0.83072484078945 30.974 > 11 126 P 0.50000000000000 0.83093928916874 0.83072484078945 30.974 > 11 127 P 0.50000000000000 0.16906071083126 0.33072484078945 30.974 > 12 128 P 0.50000000000000 0.66906071083126 0.33072484078945 30.974 > 12 129 P 0.50000000000000 0.16906071083126 0.66405817412279 30.974 > 12 130 P 0.50000000000000 0.66906071083126 0.66405817412279 30.974 > 12 131 P 0.50000000000000 0.16906071083126 0.99739150745612 30.974 > 12 132 P 0.50000000000000 0.66906071083126 0.99739150745612 30.974 > 12 133 P 0.00000000000000 0.08093928916874 0.16405817412279 30.974 > 11 134 P 0.00000000000000 0.58093928916874 0.16405817412279 30.974 > 11 135 P 0.00000000000000 0.08093928916874 0.49739150745612 30.974 > 11 136 P 0.00000000000000 0.58093928916874 0.49739150745612 30.974 > 11 137 P 0.00000000000000 0.08093928916874 0.83072484078945 30.974 > 11 138 P 0.00000000000000 0.58093928916874 0.83072484078945 30.974 > 11 139 P 0.00000000000000 0.41906071083126 0.33072484078945 30.974 > 12 140 P 0.00000000000000 0.91906071083126 0.33072484078945 30.974 > 12 141 P 0.00000000000000 0.41906071083126 0.66405817412279 30.974 > 12 142 P 0.00000000000000 0.91906071083126 0.66405817412279 30.974 > 12 143 P 0.00000000000000 0.41906071083126 0.99739150745612 30.974 > 12 144 P 0.00000000000000 0.91906071083126 0.99739150745612 30.974 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2652685 0.0000000 0.0000000 0.0000000 4.2445391 0.0000000 0.0000000 0.0000000 4.3583067 -------------------------- Born effective charges -------------------------- 1 N -1.6041512 0.0000000 0.0000000 0.0000000 -2.6969527 -0.6977725 0.0000000 -0.8040489 -3.1720166 2 N -1.6041512 0.0000000 0.0000000 0.0000000 -2.6969527 0.6977725 0.0000000 0.8040489 -3.1720166 3 N -2.8805125 0.3825835 -0.1830974 0.5965231 -2.2959466 0.1948698 -0.1625410 0.0260482 -2.1829230 4 N -2.8805125 0.3825835 0.1830974 0.5965231 -2.2959466 -0.1948698 0.1625410 -0.0260482 -2.1829230 5 N -2.8805125 -0.3825835 0.1830974 -0.5965231 -2.2959466 0.1948698 0.1625410 0.0260482 -2.1829230 6 N -2.8805125 -0.3825835 -0.1830974 -0.5965231 -2.2959466 -0.1948698 -0.1625410 -0.0260482 -2.1829230 7 Mg 1.9489773 0.1269167 -0.0069270 -0.1284352 1.9230369 -0.0277310 0.0395767 -0.0595604 2.1028188 8 Mg 1.9489773 -0.1269167 0.0069270 0.1284352 1.9230369 -0.0277310 -0.0395767 -0.0595604 2.1028188 9 Mg 1.9489773 0.1269167 0.0069270 -0.1284352 1.9230369 0.0277310 -0.0395767 0.0595604 2.1028188 10 Mg 1.9489773 -0.1269167 -0.0069270 0.1284352 1.9230369 0.0277310 0.0395767 0.0595604 2.1028188 11 P 3.4672217 0.0000000 0.0000000 0.0000000 3.4427720 -0.4518270 0.0000000 0.2907618 3.3322250 12 P 3.4672217 0.0000000 0.0000000 0.0000000 3.4427720 0.4518270 0.0000000 -0.2907618 3.3322250 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.434 Solver_block: 200 / 400 - Time: 4.484 Solver_block: 300 / 400 - Time: 4.468 Solver_block: 400 / 400 - Time: 4.467 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.912 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:54:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.870391929999999 -2.834647850000000 0.000000000000000 b 4.870391929999999 2.834647850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.704546490000000 Atomic positions (fractional): 1 N 0.10950586869037 0.89049413130963 0.34696371217938 14.007 2 N 0.89049413130963 0.10950586869037 0.84696371217938 14.007 3 N 0.55598502758794 0.16266024329496 0.42086250787332 14.007 4 N 0.44401497241206 0.83733975670504 0.92086250787332 14.007 5 N 0.83733975670504 0.44401497241206 0.42086250787332 14.007 6 N 0.16266024329496 0.55598502758794 0.92086250787332 14.007 7 Mg 0.49719366195503 0.82933322005703 0.46951836985282 24.305 8 Mg 0.17066677994297 0.50280633804497 0.46951836985282 24.305 9 Mg 0.50280633804497 0.17066677994297 0.96951836985282 24.305 10 Mg 0.82933322005703 0.49719366195503 0.96951836985282 24.305 11 P 0.83812142166253 0.16187857833747 0.49217452236836 30.974 12 P 0.16187857833747 0.83812142166253 0.99217452236836 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.740783859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.338591400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.113639470000001 Atomic positions (fractional): 1 N 0.50000000000000 0.19524706565482 0.11565457072646 14.007 > 1 2 N 0.50000000000000 0.69524706565482 0.11565457072646 14.007 > 1 3 N 0.50000000000000 0.19524706565482 0.44898790405979 14.007 > 1 4 N 0.50000000000000 0.69524706565482 0.44898790405979 14.007 > 1 5 N 0.50000000000000 0.19524706565482 0.78232123739313 14.007 > 1 6 N 0.50000000000000 0.69524706565482 0.78232123739313 14.007 > 1 7 N 0.50000000000000 0.30475293434518 0.28232123739313 14.007 > 7 8 N 0.50000000000000 0.80475293434518 0.28232123739313 14.007 > 7 9 N 0.50000000000000 0.30475293434518 0.61565457072646 14.007 > 7 10 N 0.50000000000000 0.80475293434518 0.61565457072646 14.007 > 7 11 N 0.50000000000000 0.30475293434518 0.94898790405979 14.007 > 7 12 N 0.50000000000000 0.80475293434518 0.94898790405979 14.007 > 7 13 N 0.35932263544145 0.40166880392676 0.14028750262444 14.007 > 13 14 N 0.35932263544145 0.90166880392676 0.14028750262444 14.007 > 13 15 N 0.35932263544145 0.40166880392676 0.47362083595777 14.007 > 13 16 N 0.35932263544145 0.90166880392676 0.47362083595777 14.007 > 13 17 N 0.35932263544145 0.40166880392676 0.80695416929111 14.007 > 13 18 N 0.35932263544145 0.90166880392676 0.80695416929111 14.007 > 13 19 N 0.64067736455855 0.09833119607325 0.30695416929111 14.007 > 19 20 N 0.64067736455855 0.59833119607325 0.30695416929111 14.007 > 19 21 N 0.64067736455855 0.09833119607325 0.64028750262444 14.007 > 19 22 N 0.64067736455855 0.59833119607325 0.64028750262444 14.007 > 19 23 N 0.64067736455855 0.09833119607325 0.97362083595777 14.007 > 19 24 N 0.64067736455855 0.59833119607325 0.97362083595777 14.007 > 19 25 N 0.64067736455855 0.40166880392676 0.14028750262444 14.007 > 25 26 N 0.64067736455855 0.90166880392676 0.14028750262444 14.007 > 25 27 N 0.64067736455855 0.40166880392676 0.47362083595777 14.007 > 25 28 N 0.64067736455855 0.90166880392676 0.47362083595777 14.007 > 25 29 N 0.64067736455855 0.40166880392676 0.80695416929111 14.007 > 25 30 N 0.64067736455855 0.90166880392676 0.80695416929111 14.007 > 25 31 N 0.35932263544145 0.09833119607325 0.30695416929111 14.007 > 31 32 N 0.35932263544145 0.59833119607325 0.30695416929111 14.007 > 31 33 N 0.35932263544145 0.09833119607325 0.64028750262444 14.007 > 31 34 N 0.35932263544145 0.59833119607325 0.64028750262444 14.007 > 31 35 N 0.35932263544145 0.09833119607325 0.97362083595777 14.007 > 31 36 N 0.35932263544145 0.59833119607325 0.97362083595777 14.007 > 31 37 N 0.00000000000000 0.44524706565482 0.11565457072646 14.007 > 1 38 N 0.00000000000000 0.94524706565482 0.11565457072646 14.007 > 1 39 N 0.00000000000000 0.44524706565482 0.44898790405979 14.007 > 1 40 N 0.00000000000000 0.94524706565482 0.44898790405979 14.007 > 1 41 N 0.00000000000000 0.44524706565482 0.78232123739313 14.007 > 1 42 N 0.00000000000000 0.94524706565482 0.78232123739313 14.007 > 1 43 N 0.00000000000000 0.05475293434518 0.28232123739313 14.007 > 7 44 N 0.00000000000000 0.55475293434518 0.28232123739313 14.007 > 7 45 N 0.00000000000000 0.05475293434518 0.61565457072646 14.007 > 7 46 N 0.00000000000000 0.55475293434518 0.61565457072646 14.007 > 7 47 N 0.00000000000000 0.05475293434518 0.94898790405979 14.007 > 7 48 N 0.00000000000000 0.55475293434518 0.94898790405979 14.007 > 7 49 N 0.85932263544145 0.15166880392675 0.14028750262444 14.007 > 13 50 N 0.85932263544145 0.65166880392675 0.14028750262444 14.007 > 13 51 N 0.85932263544145 0.15166880392675 0.47362083595777 14.007 > 13 52 N 0.85932263544145 0.65166880392675 0.47362083595777 14.007 > 13 53 N 0.85932263544145 0.15166880392675 0.80695416929111 14.007 > 13 54 N 0.85932263544145 0.65166880392675 0.80695416929111 14.007 > 13 55 N 0.14067736455855 0.34833119607324 0.30695416929111 14.007 > 19 56 N 0.14067736455855 0.84833119607324 0.30695416929111 14.007 > 19 57 N 0.14067736455855 0.34833119607324 0.64028750262444 14.007 > 19 58 N 0.14067736455855 0.84833119607324 0.64028750262444 14.007 > 19 59 N 0.14067736455855 0.34833119607324 0.97362083595777 14.007 > 19 60 N 0.14067736455855 0.84833119607324 0.97362083595777 14.007 > 19 61 N 0.14067736455855 0.15166880392675 0.14028750262444 14.007 > 25 62 N 0.14067736455855 0.65166880392675 0.14028750262444 14.007 > 25 63 N 0.14067736455855 0.15166880392675 0.47362083595777 14.007 > 25 64 N 0.14067736455855 0.65166880392675 0.47362083595777 14.007 > 25 65 N 0.14067736455855 0.15166880392675 0.80695416929111 14.007 > 25 66 N 0.14067736455855 0.65166880392675 0.80695416929111 14.007 > 25 67 N 0.85932263544145 0.34833119607324 0.30695416929111 14.007 > 31 68 N 0.85932263544145 0.84833119607324 0.30695416929111 14.007 > 31 69 N 0.85932263544145 0.34833119607324 0.64028750262444 14.007 > 31 70 N 0.85932263544145 0.84833119607324 0.64028750262444 14.007 > 31 71 N 0.85932263544145 0.34833119607324 0.97362083595777 14.007 > 31 72 N 0.85932263544145 0.84833119607324 0.97362083595777 14.007 > 31 73 Mg 0.66326344100603 0.08303488952550 0.15650612328427 24.305 > 73 74 Mg 0.66326344100603 0.58303488952550 0.15650612328427 24.305 > 73 75 Mg 0.66326344100603 0.08303488952550 0.48983945661761 24.305 > 73 76 Mg 0.66326344100603 0.58303488952550 0.48983945661761 24.305 > 73 77 Mg 0.66326344100603 0.08303488952550 0.82317278995094 24.305 > 73 78 Mg 0.66326344100603 0.58303488952550 0.82317278995094 24.305 > 73 79 Mg 0.33673655899397 0.08303488952550 0.15650612328427 24.305 > 79 80 Mg 0.33673655899397 0.58303488952550 0.15650612328427 24.305 > 79 81 Mg 0.33673655899397 0.08303488952550 0.48983945661761 24.305 > 79 82 Mg 0.33673655899397 0.58303488952550 0.48983945661761 24.305 > 79 83 Mg 0.33673655899397 0.08303488952550 0.82317278995094 24.305 > 79 84 Mg 0.33673655899397 0.58303488952550 0.82317278995094 24.305 > 79 85 Mg 0.33673655899397 0.41696511047450 0.32317278995094 24.305 > 85 86 Mg 0.33673655899397 0.91696511047450 0.32317278995094 24.305 > 85 87 Mg 0.33673655899397 0.41696511047450 0.65650612328427 24.305 > 85 88 Mg 0.33673655899397 0.91696511047450 0.65650612328427 24.305 > 85 89 Mg 0.33673655899397 0.41696511047450 0.98983945661761 24.305 > 85 90 Mg 0.33673655899397 0.91696511047450 0.98983945661761 24.305 > 85 91 Mg 0.66326344100603 0.41696511047450 0.32317278995094 24.305 > 91 92 Mg 0.66326344100603 0.91696511047450 0.32317278995094 24.305 > 91 93 Mg 0.66326344100603 0.41696511047450 0.65650612328427 24.305 > 91 94 Mg 0.66326344100603 0.91696511047450 0.65650612328427 24.305 > 91 95 Mg 0.66326344100603 0.41696511047450 0.98983945661761 24.305 > 91 96 Mg 0.66326344100603 0.91696511047450 0.98983945661761 24.305 > 91 97 Mg 0.16326344100603 0.33303488952550 0.15650612328427 24.305 > 73 98 Mg 0.16326344100603 0.83303488952550 0.15650612328427 24.305 > 73 99 Mg 0.16326344100603 0.33303488952550 0.48983945661761 24.305 > 73 100 Mg 0.16326344100603 0.83303488952550 0.48983945661761 24.305 > 73 101 Mg 0.16326344100603 0.33303488952550 0.82317278995094 24.305 > 73 102 Mg 0.16326344100603 0.83303488952550 0.82317278995094 24.305 > 73 103 Mg 0.83673655899397 0.33303488952550 0.15650612328427 24.305 > 79 104 Mg 0.83673655899397 0.83303488952550 0.15650612328427 24.305 > 79 105 Mg 0.83673655899397 0.33303488952550 0.48983945661761 24.305 > 79 106 Mg 0.83673655899397 0.83303488952550 0.48983945661761 24.305 > 79 107 Mg 0.83673655899397 0.33303488952550 0.82317278995094 24.305 > 79 108 Mg 0.83673655899397 0.83303488952550 0.82317278995094 24.305 > 79 109 Mg 0.83673655899397 0.16696511047450 0.32317278995094 24.305 > 85 110 Mg 0.83673655899397 0.66696511047450 0.32317278995094 24.305 > 85 111 Mg 0.83673655899397 0.16696511047450 0.65650612328427 24.305 > 85 112 Mg 0.83673655899397 0.66696511047450 0.65650612328427 24.305 > 85 113 Mg 0.83673655899397 0.16696511047450 0.98983945661761 24.305 > 85 114 Mg 0.83673655899397 0.66696511047450 0.98983945661761 24.305 > 85 115 Mg 0.16326344100603 0.16696511047450 0.32317278995094 24.305 > 91 116 Mg 0.16326344100603 0.66696511047450 0.32317278995094 24.305 > 91 117 Mg 0.16326344100603 0.16696511047450 0.65650612328427 24.305 > 91 118 Mg 0.16326344100603 0.66696511047450 0.65650612328427 24.305 > 91 119 Mg 0.16326344100603 0.16696511047450 0.98983945661761 24.305 > 91 120 Mg 0.16326344100603 0.66696511047450 0.98983945661761 24.305 > 91 121 P 0.50000000000000 0.33093928916874 0.16405817412279 30.974 > 121 122 P 0.50000000000000 0.83093928916874 0.16405817412279 30.974 > 121 123 P 0.50000000000000 0.33093928916874 0.49739150745612 30.974 > 121 124 P 0.50000000000000 0.83093928916874 0.49739150745612 30.974 > 121 125 P 0.50000000000000 0.33093928916874 0.83072484078945 30.974 > 121 126 P 0.50000000000000 0.83093928916874 0.83072484078945 30.974 > 121 127 P 0.50000000000000 0.16906071083126 0.33072484078945 30.974 > 127 128 P 0.50000000000000 0.66906071083126 0.33072484078945 30.974 > 127 129 P 0.50000000000000 0.16906071083126 0.66405817412279 30.974 > 127 130 P 0.50000000000000 0.66906071083126 0.66405817412279 30.974 > 127 131 P 0.50000000000000 0.16906071083126 0.99739150745612 30.974 > 127 132 P 0.50000000000000 0.66906071083126 0.99739150745612 30.974 > 127 133 P 0.00000000000000 0.08093928916874 0.16405817412279 30.974 > 121 134 P 0.00000000000000 0.58093928916874 0.16405817412279 30.974 > 121 135 P 0.00000000000000 0.08093928916874 0.49739150745612 30.974 > 121 136 P 0.00000000000000 0.58093928916874 0.49739150745612 30.974 > 121 137 P 0.00000000000000 0.08093928916874 0.83072484078945 30.974 > 121 138 P 0.00000000000000 0.58093928916874 0.83072484078945 30.974 > 121 139 P 0.00000000000000 0.41906071083126 0.33072484078945 30.974 > 127 140 P 0.00000000000000 0.91906071083126 0.33072484078945 30.974 > 127 141 P 0.00000000000000 0.41906071083126 0.66405817412279 30.974 > 127 142 P 0.00000000000000 0.91906071083126 0.66405817412279 30.974 > 127 143 P 0.00000000000000 0.41906071083126 0.99739150745612 30.974 > 127 144 P 0.00000000000000 0.91906071083126 0.99739150745612 30.974 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2652685 0.0000000 0.0000000 0.0000000 4.2445391 0.0000000 0.0000000 0.0000000 4.3583067 -------------------------- Born effective charges -------------------------- 1 N -1.6041512 0.0000000 0.0000000 0.0000000 -2.6969527 -0.6977725 0.0000000 -0.8040489 -3.1720166 2 N -1.6041512 0.0000000 0.0000000 0.0000000 -2.6969527 0.6977725 0.0000000 0.8040489 -3.1720166 3 N -2.8805125 0.3825835 -0.1830974 0.5965231 -2.2959466 0.1948698 -0.1625410 0.0260482 -2.1829230 4 N -2.8805125 0.3825835 0.1830974 0.5965231 -2.2959466 -0.1948698 0.1625410 -0.0260482 -2.1829230 5 N -2.8805125 -0.3825835 0.1830974 -0.5965231 -2.2959466 0.1948698 0.1625410 0.0260482 -2.1829230 6 N -2.8805125 -0.3825835 -0.1830974 -0.5965231 -2.2959466 -0.1948698 -0.1625410 -0.0260482 -2.1829230 7 Mg 1.9489773 0.1269167 -0.0069270 -0.1284352 1.9230369 -0.0277310 0.0395767 -0.0595604 2.1028188 8 Mg 1.9489773 -0.1269167 0.0069270 0.1284352 1.9230369 -0.0277310 -0.0395767 -0.0595604 2.1028188 9 Mg 1.9489773 0.1269167 0.0069270 -0.1284352 1.9230369 0.0277310 -0.0395767 0.0595604 2.1028188 10 Mg 1.9489773 -0.1269167 -0.0069270 0.1284352 1.9230369 0.0277310 0.0395767 0.0595604 2.1028188 11 P 3.4672217 0.0000000 0.0000000 0.0000000 3.4427720 -0.4518270 0.0000000 0.2907618 3.3322250 12 P 3.4672217 0.0000000 0.0000000 0.0000000 3.4427720 0.4518270 0.0000000 -0.2907618 3.3322250 ---------------------------------------------------------------------------- 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[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:54:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.870391929999999 -2.834647850000000 0.000000000000000 b 4.870391929999999 2.834647850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.704546490000000 Atomic positions (fractional): 1 N 0.10950586869037 0.89049413130963 0.34696371217938 14.007 2 N 0.89049413130963 0.10950586869037 0.84696371217938 14.007 3 N 0.55598502758794 0.16266024329496 0.42086250787332 14.007 4 N 0.44401497241206 0.83733975670504 0.92086250787332 14.007 5 N 0.83733975670504 0.44401497241206 0.42086250787332 14.007 6 N 0.16266024329496 0.55598502758794 0.92086250787332 14.007 7 Mg 0.49719366195503 0.82933322005703 0.46951836985282 24.305 8 Mg 0.17066677994297 0.50280633804497 0.46951836985282 24.305 9 Mg 0.50280633804497 0.17066677994297 0.96951836985282 24.305 10 Mg 0.82933322005703 0.49719366195503 0.96951836985282 24.305 11 P 0.83812142166253 0.16187857833747 0.49217452236836 30.974 12 P 0.16187857833747 0.83812142166253 0.99217452236836 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.740783859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.338591400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.113639470000001 Atomic positions (fractional): 1 N 0.50000000000000 0.19524706565482 0.11565457072646 14.007 > 1 2 N 0.50000000000000 0.69524706565482 0.11565457072646 14.007 > 1 3 N 0.50000000000000 0.19524706565482 0.44898790405979 14.007 > 1 4 N 0.50000000000000 0.69524706565482 0.44898790405979 14.007 > 1 5 N 0.50000000000000 0.19524706565482 0.78232123739313 14.007 > 1 6 N 0.50000000000000 0.69524706565482 0.78232123739313 14.007 > 1 7 N 0.50000000000000 0.30475293434518 0.28232123739313 14.007 > 7 8 N 0.50000000000000 0.80475293434518 0.28232123739313 14.007 > 7 9 N 0.50000000000000 0.30475293434518 0.61565457072646 14.007 > 7 10 N 0.50000000000000 0.80475293434518 0.61565457072646 14.007 > 7 11 N 0.50000000000000 0.30475293434518 0.94898790405979 14.007 > 7 12 N 0.50000000000000 0.80475293434518 0.94898790405979 14.007 > 7 13 N 0.35932263544145 0.40166880392676 0.14028750262444 14.007 > 13 14 N 0.35932263544145 0.90166880392676 0.14028750262444 14.007 > 13 15 N 0.35932263544145 0.40166880392676 0.47362083595777 14.007 > 13 16 N 0.35932263544145 0.90166880392676 0.47362083595777 14.007 > 13 17 N 0.35932263544145 0.40166880392676 0.80695416929111 14.007 > 13 18 N 0.35932263544145 0.90166880392676 0.80695416929111 14.007 > 13 19 N 0.64067736455855 0.09833119607325 0.30695416929111 14.007 > 19 20 N 0.64067736455855 0.59833119607325 0.30695416929111 14.007 > 19 21 N 0.64067736455855 0.09833119607325 0.64028750262444 14.007 > 19 22 N 0.64067736455855 0.59833119607325 0.64028750262444 14.007 > 19 23 N 0.64067736455855 0.09833119607325 0.97362083595777 14.007 > 19 24 N 0.64067736455855 0.59833119607325 0.97362083595777 14.007 > 19 25 N 0.64067736455855 0.40166880392676 0.14028750262444 14.007 > 25 26 N 0.64067736455855 0.90166880392676 0.14028750262444 14.007 > 25 27 N 0.64067736455855 0.40166880392676 0.47362083595777 14.007 > 25 28 N 0.64067736455855 0.90166880392676 0.47362083595777 14.007 > 25 29 N 0.64067736455855 0.40166880392676 0.80695416929111 14.007 > 25 30 N 0.64067736455855 0.90166880392676 0.80695416929111 14.007 > 25 31 N 0.35932263544145 0.09833119607325 0.30695416929111 14.007 > 31 32 N 0.35932263544145 0.59833119607325 0.30695416929111 14.007 > 31 33 N 0.35932263544145 0.09833119607325 0.64028750262444 14.007 > 31 34 N 0.35932263544145 0.59833119607325 0.64028750262444 14.007 > 31 35 N 0.35932263544145 0.09833119607325 0.97362083595777 14.007 > 31 36 N 0.35932263544145 0.59833119607325 0.97362083595777 14.007 > 31 37 N 0.00000000000000 0.44524706565482 0.11565457072646 14.007 > 1 38 N 0.00000000000000 0.94524706565482 0.11565457072646 14.007 > 1 39 N 0.00000000000000 0.44524706565482 0.44898790405979 14.007 > 1 40 N 0.00000000000000 0.94524706565482 0.44898790405979 14.007 > 1 41 N 0.00000000000000 0.44524706565482 0.78232123739313 14.007 > 1 42 N 0.00000000000000 0.94524706565482 0.78232123739313 14.007 > 1 43 N 0.00000000000000 0.05475293434518 0.28232123739313 14.007 > 7 44 N 0.00000000000000 0.55475293434518 0.28232123739313 14.007 > 7 45 N 0.00000000000000 0.05475293434518 0.61565457072646 14.007 > 7 46 N 0.00000000000000 0.55475293434518 0.61565457072646 14.007 > 7 47 N 0.00000000000000 0.05475293434518 0.94898790405979 14.007 > 7 48 N 0.00000000000000 0.55475293434518 0.94898790405979 14.007 > 7 49 N 0.85932263544145 0.15166880392675 0.14028750262444 14.007 > 13 50 N 0.85932263544145 0.65166880392675 0.14028750262444 14.007 > 13 51 N 0.85932263544145 0.15166880392675 0.47362083595777 14.007 > 13 52 N 0.85932263544145 0.65166880392675 0.47362083595777 14.007 > 13 53 N 0.85932263544145 0.15166880392675 0.80695416929111 14.007 > 13 54 N 0.85932263544145 0.65166880392675 0.80695416929111 14.007 > 13 55 N 0.14067736455855 0.34833119607324 0.30695416929111 14.007 > 19 56 N 0.14067736455855 0.84833119607324 0.30695416929111 14.007 > 19 57 N 0.14067736455855 0.34833119607324 0.64028750262444 14.007 > 19 58 N 0.14067736455855 0.84833119607324 0.64028750262444 14.007 > 19 59 N 0.14067736455855 0.34833119607324 0.97362083595777 14.007 > 19 60 N 0.14067736455855 0.84833119607324 0.97362083595777 14.007 > 19 61 N 0.14067736455855 0.15166880392675 0.14028750262444 14.007 > 25 62 N 0.14067736455855 0.65166880392675 0.14028750262444 14.007 > 25 63 N 0.14067736455855 0.15166880392675 0.47362083595777 14.007 > 25 64 N 0.14067736455855 0.65166880392675 0.47362083595777 14.007 > 25 65 N 0.14067736455855 0.15166880392675 0.80695416929111 14.007 > 25 66 N 0.14067736455855 0.65166880392675 0.80695416929111 14.007 > 25 67 N 0.85932263544145 0.34833119607324 0.30695416929111 14.007 > 31 68 N 0.85932263544145 0.84833119607324 0.30695416929111 14.007 > 31 69 N 0.85932263544145 0.34833119607324 0.64028750262444 14.007 > 31 70 N 0.85932263544145 0.84833119607324 0.64028750262444 14.007 > 31 71 N 0.85932263544145 0.34833119607324 0.97362083595777 14.007 > 31 72 N 0.85932263544145 0.84833119607324 0.97362083595777 14.007 > 31 73 Mg 0.66326344100603 0.08303488952550 0.15650612328427 24.305 > 73 74 Mg 0.66326344100603 0.58303488952550 0.15650612328427 24.305 > 73 75 Mg 0.66326344100603 0.08303488952550 0.48983945661761 24.305 > 73 76 Mg 0.66326344100603 0.58303488952550 0.48983945661761 24.305 > 73 77 Mg 0.66326344100603 0.08303488952550 0.82317278995094 24.305 > 73 78 Mg 0.66326344100603 0.58303488952550 0.82317278995094 24.305 > 73 79 Mg 0.33673655899397 0.08303488952550 0.15650612328427 24.305 > 79 80 Mg 0.33673655899397 0.58303488952550 0.15650612328427 24.305 > 79 81 Mg 0.33673655899397 0.08303488952550 0.48983945661761 24.305 > 79 82 Mg 0.33673655899397 0.58303488952550 0.48983945661761 24.305 > 79 83 Mg 0.33673655899397 0.08303488952550 0.82317278995094 24.305 > 79 84 Mg 0.33673655899397 0.58303488952550 0.82317278995094 24.305 > 79 85 Mg 0.33673655899397 0.41696511047450 0.32317278995094 24.305 > 85 86 Mg 0.33673655899397 0.91696511047450 0.32317278995094 24.305 > 85 87 Mg 0.33673655899397 0.41696511047450 0.65650612328427 24.305 > 85 88 Mg 0.33673655899397 0.91696511047450 0.65650612328427 24.305 > 85 89 Mg 0.33673655899397 0.41696511047450 0.98983945661761 24.305 > 85 90 Mg 0.33673655899397 0.91696511047450 0.98983945661761 24.305 > 85 91 Mg 0.66326344100603 0.41696511047450 0.32317278995094 24.305 > 91 92 Mg 0.66326344100603 0.91696511047450 0.32317278995094 24.305 > 91 93 Mg 0.66326344100603 0.41696511047450 0.65650612328427 24.305 > 91 94 Mg 0.66326344100603 0.91696511047450 0.65650612328427 24.305 > 91 95 Mg 0.66326344100603 0.41696511047450 0.98983945661761 24.305 > 91 96 Mg 0.66326344100603 0.91696511047450 0.98983945661761 24.305 > 91 97 Mg 0.16326344100603 0.33303488952550 0.15650612328427 24.305 > 73 98 Mg 0.16326344100603 0.83303488952550 0.15650612328427 24.305 > 73 99 Mg 0.16326344100603 0.33303488952550 0.48983945661761 24.305 > 73 100 Mg 0.16326344100603 0.83303488952550 0.48983945661761 24.305 > 73 101 Mg 0.16326344100603 0.33303488952550 0.82317278995094 24.305 > 73 102 Mg 0.16326344100603 0.83303488952550 0.82317278995094 24.305 > 73 103 Mg 0.83673655899397 0.33303488952550 0.15650612328427 24.305 > 79 104 Mg 0.83673655899397 0.83303488952550 0.15650612328427 24.305 > 79 105 Mg 0.83673655899397 0.33303488952550 0.48983945661761 24.305 > 79 106 Mg 0.83673655899397 0.83303488952550 0.48983945661761 24.305 > 79 107 Mg 0.83673655899397 0.33303488952550 0.82317278995094 24.305 > 79 108 Mg 0.83673655899397 0.83303488952550 0.82317278995094 24.305 > 79 109 Mg 0.83673655899397 0.16696511047450 0.32317278995094 24.305 > 85 110 Mg 0.83673655899397 0.66696511047450 0.32317278995094 24.305 > 85 111 Mg 0.83673655899397 0.16696511047450 0.65650612328427 24.305 > 85 112 Mg 0.83673655899397 0.66696511047450 0.65650612328427 24.305 > 85 113 Mg 0.83673655899397 0.16696511047450 0.98983945661761 24.305 > 85 114 Mg 0.83673655899397 0.66696511047450 0.98983945661761 24.305 > 85 115 Mg 0.16326344100603 0.16696511047450 0.32317278995094 24.305 > 91 116 Mg 0.16326344100603 0.66696511047450 0.32317278995094 24.305 > 91 117 Mg 0.16326344100603 0.16696511047450 0.65650612328427 24.305 > 91 118 Mg 0.16326344100603 0.66696511047450 0.65650612328427 24.305 > 91 119 Mg 0.16326344100603 0.16696511047450 0.98983945661761 24.305 > 91 120 Mg 0.16326344100603 0.66696511047450 0.98983945661761 24.305 > 91 121 P 0.50000000000000 0.33093928916874 0.16405817412279 30.974 > 121 122 P 0.50000000000000 0.83093928916874 0.16405817412279 30.974 > 121 123 P 0.50000000000000 0.33093928916874 0.49739150745612 30.974 > 121 124 P 0.50000000000000 0.83093928916874 0.49739150745612 30.974 > 121 125 P 0.50000000000000 0.33093928916874 0.83072484078945 30.974 > 121 126 P 0.50000000000000 0.83093928916874 0.83072484078945 30.974 > 121 127 P 0.50000000000000 0.16906071083126 0.33072484078945 30.974 > 127 128 P 0.50000000000000 0.66906071083126 0.33072484078945 30.974 > 127 129 P 0.50000000000000 0.16906071083126 0.66405817412279 30.974 > 127 130 P 0.50000000000000 0.66906071083126 0.66405817412279 30.974 > 127 131 P 0.50000000000000 0.16906071083126 0.99739150745612 30.974 > 127 132 P 0.50000000000000 0.66906071083126 0.99739150745612 30.974 > 127 133 P 0.00000000000000 0.08093928916874 0.16405817412279 30.974 > 121 134 P 0.00000000000000 0.58093928916874 0.16405817412279 30.974 > 121 135 P 0.00000000000000 0.08093928916874 0.49739150745612 30.974 > 121 136 P 0.00000000000000 0.58093928916874 0.49739150745612 30.974 > 121 137 P 0.00000000000000 0.08093928916874 0.83072484078945 30.974 > 121 138 P 0.00000000000000 0.58093928916874 0.83072484078945 30.974 > 121 139 P 0.00000000000000 0.41906071083126 0.33072484078945 30.974 > 127 140 P 0.00000000000000 0.91906071083126 0.33072484078945 30.974 > 127 141 P 0.00000000000000 0.41906071083126 0.66405817412279 30.974 > 127 142 P 0.00000000000000 0.91906071083126 0.66405817412279 30.974 > 127 143 P 0.00000000000000 0.41906071083126 0.99739150745612 30.974 > 127 144 P 0.00000000000000 0.91906071083126 0.99739150745612 30.974 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2652685 0.0000000 0.0000000 0.0000000 4.2445391 0.0000000 0.0000000 0.0000000 4.3583067 -------------------------- Born effective charges -------------------------- 1 N -1.6041512 0.0000000 0.0000000 0.0000000 -2.6969527 -0.6977725 0.0000000 -0.8040489 -3.1720166 2 N -1.6041512 0.0000000 0.0000000 0.0000000 -2.6969527 0.6977725 0.0000000 0.8040489 -3.1720166 3 N -2.8805125 0.3825835 -0.1830974 0.5965231 -2.2959466 0.1948698 -0.1625410 0.0260482 -2.1829230 4 N -2.8805125 0.3825835 0.1830974 0.5965231 -2.2959466 -0.1948698 0.1625410 -0.0260482 -2.1829230 5 N -2.8805125 -0.3825835 0.1830974 -0.5965231 -2.2959466 0.1948698 0.1625410 0.0260482 -2.1829230 6 N -2.8805125 -0.3825835 -0.1830974 -0.5965231 -2.2959466 -0.1948698 -0.1625410 -0.0260482 -2.1829230 7 Mg 1.9489773 0.1269167 -0.0069270 -0.1284352 1.9230369 -0.0277310 0.0395767 -0.0595604 2.1028188 8 Mg 1.9489773 -0.1269167 0.0069270 0.1284352 1.9230369 -0.0277310 -0.0395767 -0.0595604 2.1028188 9 Mg 1.9489773 0.1269167 0.0069270 -0.1284352 1.9230369 0.0277310 -0.0395767 0.0595604 2.1028188 10 Mg 1.9489773 -0.1269167 -0.0069270 0.1284352 1.9230369 0.0277310 0.0395767 0.0595604 2.1028188 11 P 3.4672217 0.0000000 0.0000000 0.0000000 3.4427720 -0.4518270 0.0000000 0.2907618 3.3322250 12 P 3.4672217 0.0000000 0.0000000 0.0000000 3.4427720 0.4518270 0.0000000 -0.2907618 3.3322250 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 11 ] 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: 0.82, Number of G-points: 281, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 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 6.911 ( 0.000 0.000 0.000) 0.000 7.554 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 -0.000) 0.000 8.187 ( 0.000 0.000 -0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 -0.000) 0.000 10.060 ( 0.000 0.000 -0.000) 0.000 10.093 ( 0.000 0.000 -0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 11.773 ( 0.000 0.000 0.000) 0.000 12.009 ( 0.000 0.000 -0.000) 0.000 12.257 ( 0.000 0.000 0.000) 0.000 12.817 ( 0.000 0.000 -0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.981 ( 0.000 0.000 -0.000) 0.000 14.666 ( 0.000 0.000 -0.000) 0.000 15.919 ( 0.000 0.000 -0.000) 0.000 16.166 ( 0.000 0.000 0.000) 0.000 17.216 ( 0.000 0.000 0.000) 0.000 18.645 ( 0.000 0.000 0.000) 0.000 18.674 ( 0.000 0.000 -0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 19.397 ( 0.000 0.000 0.000) 0.000 22.899 ( 0.000 0.000 0.000) 0.000 26.689 ( 0.000 0.000 0.000) 0.000 27.063 ( 0.000 0.000 0.000) 0.000 28.707 ( 0.000 0.000 0.000) 0.000 29.000 ( 0.000 0.000 -0.000) 0.000 29.092 ( 0.000 0.000 0.000) 0.000 29.552 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 36.804 -41.310 0.000) 55.327 1.286 ( 28.422 -55.160 0.000) 62.052 1.895 ( 41.881 -81.507 0.000) 91.638 6.922 ( 6.076 5.827 0.000) 8.418 7.592 ( -2.704 5.934 0.000) 6.521 7.681 ( 0.887 -11.793 0.000) 11.826 8.158 ( -3.306 -4.004 0.000) 5.193 8.287 ( 6.384 0.487 0.000) 6.402 8.502 ( -11.726 39.368 0.000) 41.078 9.082 ( -21.477 11.363 0.000) 24.298 10.029 ( -1.781 2.352 0.000) 2.950 10.356 ( -1.832 -8.301 0.000) 8.500 10.912 ( -8.249 6.454 0.000) 10.474 11.109 ( 5.343 7.227 0.000) 8.988 11.918 ( -13.231 -1.292 0.000) 13.294 12.162 ( -3.001 0.310 0.000) 3.017 12.296 ( 5.067 0.586 0.000) 5.100 13.011 ( 10.969 -4.864 0.000) 11.999 13.078 ( 2.947 11.578 0.000) 11.947 13.506 ( -12.079 -14.588 0.000) 18.940 14.293 ( 40.291 25.482 0.000) 47.673 14.776 ( 1.788 -10.166 0.000) 10.322 15.916 ( 1.921 1.501 0.000) 2.438 16.156 ( -0.932 0.572 0.000) 1.093 18.026 ( -40.430 -23.050 0.000) 46.540 18.608 ( -5.323 1.924 0.000) 5.660 18.675 ( -0.509 0.836 0.000) 0.979 19.279 ( 33.237 14.813 0.000) 36.389 19.426 ( 1.891 -1.913 0.000) 2.690 23.435 ( -18.477 -11.760 0.000) 21.902 27.063 ( -1.010 -0.564 0.000) 1.157 27.860 ( -73.363 -41.409 0.000) 84.242 28.769 ( -4.356 -3.369 0.000) 5.507 29.169 ( -7.827 -12.900 0.000) 15.089 29.589 ( 2.802 -2.381 0.000) 3.677 31.650 ( 83.568 55.671 0.000) 100.413 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 35.366 -38.681 0.000) 52.412 2.532 ( 26.041 -54.025 0.000) 59.973 3.711 ( 37.889 -76.957 0.000) 85.779 6.640 ( -5.769 32.627 0.000) 33.133 7.437 ( -7.848 43.780 0.000) 44.477 7.562 ( 1.825 -3.046 0.000) 3.551 7.856 ( -6.732 -4.509 0.000) 8.103 8.325 ( -20.665 6.299 0.000) 21.603 8.372 ( 0.249 -14.694 0.000) 14.696 8.805 ( 2.898 -6.691 0.000) 7.292 9.944 ( -2.688 5.637 0.000) 6.245 10.178 ( 7.917 23.974 0.000) 25.247 10.481 ( -20.847 14.220 0.000) 25.235 11.323 ( 7.337 -3.155 0.000) 7.987 11.815 ( -16.773 -8.899 0.000) 18.988 12.028 ( -3.826 11.440 0.000) 12.063 12.239 ( 2.311 8.829 0.000) 9.126 12.957 ( 10.759 7.088 0.000) 12.884 13.258 ( 6.696 -10.552 0.000) 12.497 13.591 ( -7.384 -3.808 0.000) 8.308 14.261 ( 19.090 12.247 0.000) 22.681 15.008 ( 1.236 -13.094 0.000) 13.152 15.906 ( 3.694 2.787 0.000) 4.627 16.127 ( -2.271 0.840 0.000) 2.421 18.022 ( -20.026 -11.722 0.000) 23.205 18.518 ( -5.721 1.311 0.000) 5.870 18.641 ( -0.245 2.307 0.000) 2.320 19.370 ( 15.523 3.858 0.000) 15.995 19.493 ( 2.321 -2.926 0.000) 3.735 23.459 ( -7.258 -5.752 0.000) 9.261 27.064 ( -1.330 -0.977 0.000) 1.651 27.829 ( -30.942 -15.861 0.000) 34.771 28.799 ( 2.670 -1.123 0.000) 2.896 29.371 ( -11.060 -20.619 0.000) 23.398 29.679 ( 4.354 -3.168 0.000) 5.385 31.471 ( 37.244 34.651 0.000) 50.871 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 27.398 -32.455 0.000) 42.474 3.711 ( 23.629 -50.223 0.000) 55.504 5.326 ( 23.030 -63.634 0.000) 67.674 5.705 ( -5.812 49.712 0.000) 50.050 6.867 ( -1.215 22.247 0.000) 22.280 7.475 ( -20.760 19.854 0.000) 28.726 7.769 ( -8.825 1.246 0.000) 8.912 7.865 ( -15.049 -6.487 0.000) 16.388 8.844 ( 14.736 -11.799 0.000) 18.878 9.086 ( 7.846 -13.277 0.000) 15.422 9.703 ( 4.542 20.401 0.000) 20.900 9.972 ( 6.253 6.364 0.000) 8.921 10.089 ( -11.977 6.608 0.000) 13.679 11.106 ( -17.014 15.593 0.000) 23.079 11.690 ( -8.364 18.552 0.000) 20.351 11.951 ( 1.806 -0.390 0.000) 1.847 12.113 ( -6.004 -6.292 0.000) 8.698 13.075 ( 13.349 -4.379 0.000) 14.049 13.450 ( 1.354 8.200 0.000) 8.311 13.497 ( -4.672 -8.704 0.000) 9.879 14.225 ( 10.103 10.419 0.000) 14.513 15.236 ( 0.662 -11.154 0.000) 11.173 15.884 ( 2.022 3.638 0.000) 4.162 16.101 ( -0.493 -0.385 0.000) 0.625 18.026 ( -10.257 -6.160 0.000) 11.964 18.455 ( -6.180 -1.252 0.000) 6.305 18.595 ( -0.491 2.260 0.000) 2.312 19.449 ( 9.205 1.724 0.000) 9.365 19.568 ( 1.720 -3.069 0.000) 3.518 23.485 ( -3.261 -3.284 0.000) 4.628 27.071 ( -0.993 -1.069 0.000) 1.459 27.789 ( -15.839 -7.013 0.000) 17.322 28.858 ( 3.984 -1.363 0.000) 4.210 29.649 ( -11.447 -22.876 0.000) 25.580 29.780 ( 4.354 -3.490 0.000) 5.580 31.205 ( 20.959 28.999 0.000) 35.780 ======================= Grid point 4 (5/186) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( -2.690 -0.434 0.000) 2.725 4.764 ( 19.060 -43.171 0.000) 47.191 5.078 ( 26.210 10.892 0.000) 28.383 6.230 ( -19.302 -4.984 0.000) 19.935 6.464 ( -16.905 21.749 0.000) 27.546 7.066 ( 9.717 -12.499 0.000) 15.832 7.638 ( -2.017 1.044 0.000) 2.271 8.034 ( -3.588 -13.278 0.000) 13.754 8.941 ( 5.635 11.934 0.000) 13.198 9.257 ( 0.707 0.296 0.000) 0.767 9.467 ( 11.260 8.841 0.000) 14.316 9.956 ( -3.143 0.780 0.000) 3.238 10.180 ( 6.279 -10.718 0.000) 12.422 10.638 ( -16.834 9.453 0.000) 19.306 11.266 ( -8.291 16.811 0.000) 18.744 11.799 ( -1.080 10.086 0.000) 10.143 12.309 ( -1.358 -11.298 0.000) 11.379 13.121 ( -8.448 6.437 0.000) 10.621 13.434 ( 15.135 -6.066 0.000) 16.305 13.632 ( 0.179 -5.339 0.000) 5.342 14.073 ( 0.487 12.547 0.000) 12.556 15.400 ( 0.484 -6.398 0.000) 6.416 15.824 ( -0.468 3.129 0.000) 3.163 16.129 ( 1.587 -1.330 0.000) 2.071 18.023 ( -3.860 -1.808 0.000) 4.263 18.433 ( -4.545 -2.253 0.000) 5.072 18.558 ( -0.366 1.355 0.000) 1.404 19.496 ( 4.532 0.985 0.000) 4.637 19.629 ( 0.952 -2.010 0.000) 2.224 23.505 ( -1.286 -1.525 0.000) 1.995 27.080 ( -0.452 -0.715 0.000) 0.846 27.756 ( -7.090 -2.723 0.000) 7.595 28.917 ( 2.658 -1.129 0.000) 2.888 29.818 ( -0.260 -3.461 0.000) 3.471 29.987 ( -6.556 -19.856 0.000) 20.911 30.901 ( 12.295 23.769 0.000) 26.761 ======================= Grid point 5 (6/186) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 0.000 -0.000 0.000) 0.000 5.457 ( -0.000 -0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 -0.000 0.000) 0.000 5.907 ( 0.000 -0.000 0.000) 0.000 7.324 ( 0.000 -0.000 0.000) 0.000 7.780 ( -0.000 -0.000 0.000) 0.000 8.138 ( 0.000 -0.000 0.000) 0.000 8.750 ( 0.000 -0.000 0.000) 0.000 9.289 ( -0.000 -0.000 0.000) 0.000 9.513 ( -0.000 -0.000 0.000) 0.000 9.833 ( 0.000 -0.000 0.000) 0.000 10.227 ( 0.000 -0.000 0.000) 0.000 10.621 ( 0.000 -0.000 0.000) 0.000 11.048 ( 0.000 -0.000 0.000) 0.000 11.676 ( 0.000 -0.000 0.000) 0.000 12.408 ( 0.000 -0.000 0.000) 0.000 12.989 ( 0.000 -0.000 0.000) 0.000 13.668 ( 0.000 -0.000 0.000) 0.000 13.675 ( -0.000 0.000 0.000) 0.000 13.880 ( 0.000 -0.000 0.000) 0.000 15.460 ( 0.000 -0.000 0.000) 0.000 15.791 ( 0.000 -0.000 0.000) 0.000 16.153 ( 0.000 -0.000 0.000) 0.000 18.018 ( 0.000 -0.000 0.000) 0.000 18.431 ( 0.000 -0.000 0.000) 0.000 18.543 ( 0.000 -0.000 0.000) 0.000 19.510 ( 0.000 -0.000 0.000) 0.000 19.652 ( 0.000 -0.000 0.000) 0.000 23.512 ( 0.000 -0.000 0.000) 0.000 27.084 ( 0.000 -0.000 0.000) 0.000 27.743 ( 0.000 -0.000 0.000) 0.000 28.942 ( 0.000 -0.000 0.000) 0.000 29.845 ( 0.000 -0.000 0.000) 0.000 30.175 ( -0.000 -0.000 0.000) 0.000 30.711 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/186) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 48.290 0.000 0.000) 48.290 1.204 ( 58.253 0.000 0.000) 58.253 2.007 ( 95.860 0.000 0.000) 95.860 7.085 ( 14.227 0.000 0.000) 14.227 7.487 ( -9.930 -0.000 0.000) 9.930 7.735 ( 5.508 0.000 0.000) 5.508 8.067 ( -3.703 -0.000 0.000) 3.703 8.315 ( 9.761 0.000 0.000) 9.761 8.613 ( -41.565 -0.000 0.000) 41.565 9.125 ( -14.044 -0.000 0.000) 14.044 9.994 ( -14.550 -0.000 0.000) 14.550 10.031 ( -2.261 -0.000 0.000) 2.261 11.181 ( -14.512 -0.000 0.000) 14.512 11.185 ( 16.756 0.000 0.000) 16.756 11.923 ( 14.717 0.000 0.000) 14.717 11.977 ( -6.549 -0.000 0.000) 6.549 12.325 ( 6.429 0.000 0.000) 6.429 13.058 ( -11.903 -0.000 0.000) 11.903 13.060 ( -1.414 -0.000 0.000) 1.414 13.313 ( 6.180 0.000 0.000) 6.180 14.708 ( 3.733 0.000 0.000) 3.733 15.161 ( -6.794 -0.000 0.000) 6.794 15.951 ( 3.028 0.000 0.000) 3.028 16.149 ( -1.551 -0.000 0.000) 1.551 17.163 ( -4.996 -0.000 0.000) 4.996 18.650 ( 0.374 0.000 0.000) 0.374 18.705 ( 2.898 0.000 0.000) 2.898 19.431 ( 3.130 0.000 0.000) 3.130 19.799 ( -0.535 -0.000 0.000) 0.535 22.921 ( 1.950 0.000 0.000) 1.950 26.735 ( 4.411 0.000 0.000) 4.411 27.064 ( 0.057 0.000 0.000) 0.057 28.711 ( 0.445 0.000 0.000) 0.445 29.039 ( -5.134 -0.000 0.000) 5.134 29.613 ( 5.846 0.000 0.000) 5.846 32.950 ( -3.931 -0.000 0.000) 3.931 ======================= Grid point 13 (8/186) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 36.492 -34.716 0.000) 50.367 2.115 ( 47.822 -32.965 0.000) 58.083 3.303 ( 80.666 -36.446 0.000) 88.517 6.978 ( -7.408 17.423 0.000) 18.932 7.494 ( -13.415 -5.659 0.000) 14.559 7.700 ( -4.572 5.193 0.000) 6.919 7.997 ( -17.412 16.083 0.000) 23.703 8.229 ( 8.695 -6.953 0.000) 11.133 8.334 ( -5.469 17.483 0.000) 18.318 8.730 ( -2.815 1.716 0.000) 3.297 9.983 ( -2.550 2.420 0.000) 3.515 10.158 ( -18.506 -21.034 0.000) 28.016 10.685 ( -5.647 24.186 0.000) 24.836 11.414 ( 5.465 0.099 0.000) 5.466 11.640 ( -7.382 10.879 0.000) 13.147 12.174 ( 1.475 3.108 0.000) 3.440 12.380 ( 5.144 3.621 0.000) 6.290 13.074 ( -5.608 -6.324 0.000) 8.452 13.089 ( -2.227 -7.971 0.000) 8.277 13.393 ( 1.163 -5.332 0.000) 5.457 14.775 ( 7.265 17.407 0.000) 18.862 14.846 ( 3.485 -2.677 0.000) 4.395 15.980 ( 3.944 1.117 0.000) 4.099 16.119 ( -2.304 1.098 0.000) 2.552 17.403 ( -19.442 -25.336 0.000) 31.936 18.605 ( 1.374 5.354 0.000) 5.527 18.707 ( 3.081 3.190 0.000) 4.435 19.480 ( 3.657 -1.318 0.000) 3.887 19.644 ( 7.386 11.285 0.000) 13.487 23.162 ( -6.267 -16.867 0.000) 17.993 26.995 ( -4.087 -8.125 0.000) 9.095 27.177 ( -5.788 -20.559 0.000) 21.358 28.756 ( 0.633 -3.830 0.000) 3.882 29.032 ( -7.803 -7.394 0.000) 10.750 29.699 ( 7.675 -1.431 0.000) 7.807 32.487 ( 12.707 38.787 0.000) 40.815 ======================= Grid point 14 (9/186) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 25.342 -34.932 0.000) 43.156 3.220 ( 38.943 -40.139 0.000) 55.925 4.754 ( 55.393 -43.430 0.000) 70.389 6.307 ( -28.087 34.329 0.000) 44.355 7.168 ( -15.699 13.429 0.000) 20.659 7.561 ( -26.537 9.208 0.000) 28.089 7.679 ( -6.499 17.705 0.000) 18.860 7.757 ( 5.411 3.981 0.000) 6.717 8.792 ( 27.841 -18.965 0.000) 33.687 8.957 ( 9.972 -12.457 0.000) 15.957 9.888 ( -2.693 5.795 0.000) 6.390 10.081 ( -17.933 4.866 0.000) 18.581 10.320 ( 4.533 16.419 0.000) 17.033 11.227 ( -13.971 14.252 0.000) 19.958 11.600 ( -5.603 -9.875 0.000) 11.354 12.000 ( -0.537 10.550 0.000) 10.564 12.253 ( 0.441 15.027 0.000) 15.034 13.102 ( -0.731 -2.335 0.000) 2.447 13.251 ( -4.355 -12.206 0.000) 12.959 13.475 ( -2.517 -2.924 0.000) 3.858 14.534 ( 3.769 14.253 0.000) 14.743 15.049 ( 2.859 -11.367 0.000) 11.721 15.972 ( 1.701 3.817 0.000) 4.179 16.092 ( 0.404 -0.249 0.000) 0.474 17.614 ( -16.274 -20.446 0.000) 26.132 18.516 ( 2.528 6.329 0.000) 6.815 18.665 ( 2.641 4.604 0.000) 5.307 19.545 ( 2.913 -2.025 0.000) 3.548 19.583 ( 5.849 4.602 0.000) 7.442 23.333 ( -4.253 -9.510 0.000) 10.418 27.033 ( -1.133 -1.865 0.000) 2.182 27.453 ( -7.148 -16.171 0.000) 17.680 28.830 ( 0.048 -3.461 0.000) 3.461 29.162 ( -9.655 -17.616 0.000) 20.089 29.805 ( 7.632 -1.221 0.000) 7.729 31.976 ( 13.326 34.623 0.000) 37.099 ======================= Grid point 15 (10/186) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 2.638 -17.017 0.000) 17.220 4.287 ( 31.183 -38.868 0.000) 49.831 5.390 ( -7.242 10.326 0.000) 12.612 5.835 ( -6.420 -10.363 0.000) 12.191 6.793 ( -6.100 20.520 0.000) 21.408 7.090 ( -1.499 6.230 0.000) 6.408 7.546 ( -3.421 -6.104 0.000) 6.997 7.873 ( 10.945 -3.509 0.000) 11.493 9.187 ( 10.846 3.043 0.000) 11.265 9.237 ( 5.098 -3.767 0.000) 6.339 9.741 ( 6.301 5.850 0.000) 8.598 9.942 ( -2.486 -1.473 0.000) 2.890 10.215 ( 14.478 2.269 0.000) 14.654 10.736 ( -15.818 21.299 0.000) 26.530 11.491 ( -8.534 13.935 0.000) 16.341 11.932 ( -7.635 11.894 0.000) 14.134 12.054 ( 0.551 -12.264 0.000) 12.276 13.070 ( -11.758 0.842 0.000) 11.788 13.410 ( 0.740 -8.691 0.000) 8.723 13.511 ( -1.282 -5.211 0.000) 5.366 14.285 ( -5.887 13.677 0.000) 14.890 15.271 ( 2.575 -9.805 0.000) 10.137 15.899 ( 0.591 4.756 0.000) 4.792 16.126 ( 2.373 -1.040 0.000) 2.591 17.801 ( -9.294 -15.316 0.000) 17.915 18.446 ( 3.001 4.580 0.000) 5.476 18.612 ( 2.326 3.896 0.000) 4.537 19.564 ( 1.809 2.205 0.000) 2.852 19.610 ( 2.669 -1.550 0.000) 3.086 23.429 ( -2.029 -5.289 0.000) 5.665 27.054 ( -0.370 -1.453 0.000) 1.500 27.617 ( -1.471 -8.288 0.000) 8.417 28.874 ( -2.913 -3.291 0.000) 4.395 29.430 ( -9.014 -22.475 0.000) 24.215 29.890 ( 6.036 -0.510 0.000) 6.057 31.524 ( 10.323 30.605 0.000) 32.299 ======================= Grid point 16 (11/186) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( -15.336 1.610 0.000) 15.421 5.132 ( 4.819 -20.973 0.000) 21.520 5.489 ( -16.739 0.022 0.000) 16.739 5.619 ( 9.104 -21.230 0.000) 23.100 6.246 ( -6.897 32.529 0.000) 33.252 7.168 ( -6.327 -9.984 0.000) 11.820 7.931 ( 18.736 -16.764 0.000) 25.141 8.046 ( 16.530 2.230 0.000) 16.680 8.869 ( -8.742 17.650 0.000) 19.697 9.376 ( 6.631 0.989 0.000) 6.704 9.774 ( -3.646 23.246 0.000) 23.530 9.834 ( 11.979 -3.111 0.000) 12.376 10.242 ( 1.917 2.773 0.000) 3.371 10.620 ( 13.384 -7.991 0.000) 15.588 11.153 ( -2.309 12.917 0.000) 13.122 11.681 ( -9.139 5.782 0.000) 10.814 12.280 ( -3.408 -12.186 0.000) 12.654 12.922 ( -9.448 -0.670 0.000) 9.472 13.564 ( -3.931 -7.463 0.000) 8.435 13.594 ( -3.812 -6.595 0.000) 7.618 13.953 ( -10.454 11.866 0.000) 15.814 15.427 ( 2.004 -4.914 0.000) 5.307 15.836 ( 1.819 3.550 0.000) 3.989 16.153 ( 0.490 0.008 0.000) 0.490 17.948 ( -2.718 -7.987 0.000) 8.436 18.427 ( 2.712 0.614 0.000) 2.781 18.586 ( 3.281 2.184 0.000) 3.941 19.529 ( -1.116 2.336 0.000) 2.589 19.650 ( 1.117 -0.686 0.000) 1.311 23.485 ( -0.614 -2.724 0.000) 2.793 27.074 ( -0.041 -0.962 0.000) 0.963 27.737 ( 4.896 -3.828 0.000) 6.214 28.884 ( -6.148 -2.978 0.000) 6.831 29.717 ( -6.953 -16.861 0.000) 18.239 29.967 ( 2.497 -4.960 0.000) 5.553 31.108 ( 7.679 26.968 0.000) 28.040 ======================= Grid point 17 (12/186) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 1.532 -18.914 0.000) 18.976 4.647 ( -45.710 9.937 0.000) 46.778 5.389 ( -7.877 40.883 0.000) 41.635 6.039 ( 9.908 -21.844 0.000) 23.986 6.357 ( 23.863 -31.990 0.000) 39.910 7.293 ( -2.149 -3.629 0.000) 4.218 7.813 ( 2.517 34.763 0.000) 34.854 8.197 ( 3.329 -1.481 0.000) 3.643 8.672 ( -11.883 -3.936 0.000) 12.518 9.303 ( 8.775 6.164 0.000) 10.723 9.430 ( -1.630 7.680 0.000) 7.851 10.009 ( 6.722 0.676 0.000) 6.756 10.350 ( 10.889 3.062 0.000) 11.311 10.727 ( 10.932 3.236 0.000) 11.401 11.122 ( 7.079 -7.654 0.000) 10.426 11.613 ( -5.461 -7.216 0.000) 9.049 12.380 ( -4.139 -3.508 0.000) 5.426 12.984 ( -0.685 -11.694 0.000) 11.714 13.411 ( -17.390 10.346 0.000) 20.235 13.624 ( -7.118 -3.271 0.000) 7.833 13.868 ( -2.432 -7.798 0.000) 8.168 15.478 ( 1.604 1.438 0.000) 2.154 15.815 ( 1.669 0.964 0.000) 1.927 16.135 ( -1.444 1.166 0.000) 1.856 18.029 ( 1.001 -2.721 0.000) 2.899 18.474 ( 2.608 -2.203 0.000) 3.414 18.604 ( 6.487 1.365 0.000) 6.629 19.457 ( -4.808 2.347 0.000) 5.351 19.652 ( -0.004 1.144 0.000) 1.144 23.516 ( 0.373 -1.047 0.000) 1.111 27.086 ( 0.176 -0.304 0.000) 0.352 27.863 ( 11.225 -1.297 0.000) 11.300 28.850 ( -8.976 -2.040 0.000) 9.205 29.817 ( -2.384 -1.619 0.000) 2.882 30.150 ( -1.656 -11.950 0.000) 12.064 30.747 ( 2.738 18.672 0.000) 18.872 ======================= Grid point 18 (13/186) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -21.079 27.879 0.000) 34.951 4.445 ( -11.163 51.503 0.000) 52.699 4.728 ( -5.996 -54.872 0.000) 55.198 6.383 ( 1.577 40.046 0.000) 40.077 6.551 ( -3.639 8.407 0.000) 9.160 7.245 ( 17.200 -30.206 0.000) 34.759 7.755 ( 6.502 -11.365 0.000) 13.094 8.047 ( -4.718 10.950 0.000) 11.923 8.778 ( -4.200 -15.270 0.000) 15.837 9.263 ( -3.203 9.113 0.000) 9.659 9.385 ( 1.696 2.095 0.000) 2.695 9.965 ( -0.801 5.607 0.000) 5.664 10.190 ( 8.677 7.866 0.000) 11.712 11.044 ( 18.503 -12.869 0.000) 22.538 11.448 ( 5.488 -15.793 0.000) 16.720 11.764 ( 0.717 -12.685 0.000) 12.705 12.342 ( -0.332 3.689 0.000) 3.704 13.019 ( -20.008 9.484 0.000) 22.142 13.230 ( -0.402 -11.360 0.000) 11.367 13.590 ( -2.989 -0.412 0.000) 3.017 13.985 ( -5.116 -8.237 0.000) 9.696 15.410 ( 1.248 7.720 0.000) 7.820 15.822 ( -1.242 -0.900 0.000) 1.534 16.107 ( -0.291 0.173 0.000) 0.339 18.082 ( 1.815 -1.935 0.000) 2.653 18.536 ( 1.831 -1.869 0.000) 2.616 18.671 ( 12.453 2.254 0.000) 12.656 19.346 ( -9.653 1.926 0.000) 9.843 19.612 ( -0.653 2.967 0.000) 3.038 23.533 ( 1.224 0.013 0.000) 1.224 27.089 ( 0.400 0.248 0.000) 0.470 28.020 ( 17.562 0.160 0.000) 17.563 28.779 ( -10.915 -1.758 0.000) 11.056 29.784 ( -2.079 2.121 0.000) 2.970 30.165 ( 9.266 16.888 0.000) 19.263 30.624 ( -13.857 -12.316 0.000) 18.539 ======================= Grid point 19 (14/186) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -20.918 39.676 0.000) 44.852 3.365 ( -9.015 58.075 0.000) 58.770 4.960 ( -8.996 85.192 0.000) 85.665 5.837 ( 3.689 -61.602 0.000) 61.713 6.875 ( -0.110 -23.675 0.000) 23.675 7.670 ( 2.063 8.028 0.000) 8.289 7.864 ( 2.676 -9.925 0.000) 10.280 8.247 ( 11.449 -23.903 0.000) 26.504 8.775 ( 6.755 20.469 0.000) 21.555 8.939 ( -6.611 18.756 0.000) 19.887 9.512 ( -8.966 -30.288 0.000) 31.587 9.940 ( 0.365 -1.864 0.000) 1.900 10.401 ( 13.470 -13.340 0.000) 18.958 11.318 ( 2.323 -1.239 0.000) 2.633 11.735 ( 0.656 -17.771 0.000) 17.784 12.025 ( 2.933 -9.642 0.000) 10.078 12.303 ( 15.117 10.871 0.000) 18.620 12.709 ( -19.409 -2.141 0.000) 19.527 13.251 ( -10.695 1.402 0.000) 10.787 13.650 ( 4.691 -3.115 0.000) 5.631 14.032 ( -5.439 -3.273 0.000) 6.348 15.238 ( 0.495 12.498 0.000) 12.507 15.823 ( -2.572 -2.214 0.000) 3.393 16.127 ( 1.114 -1.264 0.000) 1.684 18.141 ( 1.835 -2.812 0.000) 3.358 18.580 ( 0.904 -1.742 0.000) 1.963 18.775 ( 18.804 4.163 0.000) 19.259 19.183 ( -16.413 1.777 0.000) 16.509 19.541 ( -0.727 3.938 0.000) 4.004 23.544 ( 1.870 0.375 0.000) 1.908 27.086 ( 0.419 0.561 0.000) 0.700 28.221 ( 22.169 0.330 0.000) 22.171 28.705 ( -11.072 -3.340 0.000) 11.565 29.711 ( -1.746 3.643 0.000) 4.040 29.892 ( 10.533 22.766 0.000) 25.084 30.729 ( -20.269 -16.428 0.000) 26.090 ======================= Grid point 20 (15/186) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.000 45.513 0.000) 45.513 2.245 ( -0.000 62.261 0.000) 62.261 3.330 ( -0.000 91.966 0.000) 91.966 6.664 ( 0.000 -25.464 0.000) 25.464 7.471 ( 0.000 -30.056 0.000) 30.056 7.590 ( 0.000 -18.437 0.000) 18.437 7.924 ( -0.000 7.924 0.000) 7.924 8.301 ( -0.000 13.827 0.000) 13.827 8.576 ( -0.000 15.662 0.000) 15.662 8.913 ( 0.000 -20.978 0.000) 20.978 9.988 ( 0.000 -3.111 0.000) 3.111 10.045 ( 0.000 -30.564 0.000) 30.564 10.805 ( 0.000 -21.324 0.000) 21.324 11.178 ( -0.000 14.948 0.000) 14.948 12.059 ( 0.000 -14.450 0.000) 14.450 12.102 ( -0.000 9.860 0.000) 9.860 12.173 ( 0.000 -2.078 0.000) 2.078 12.809 ( 0.000 -14.307 0.000) 14.307 13.086 ( -0.000 8.540 0.000) 8.540 13.690 ( -0.000 1.898 0.000) 1.898 14.012 ( -0.000 0.802 0.000) 0.802 14.997 ( -0.000 14.315 0.000) 14.315 15.861 ( 0.000 -3.240 0.000) 3.240 16.152 ( 0.000 -0.677 0.000) 0.677 18.219 ( 0.000 -4.282 0.000) 4.282 18.619 ( 0.000 -2.120 0.000) 2.120 18.915 ( -0.000 5.901 0.000) 5.901 18.933 ( -0.000 1.781 0.000) 1.781 19.468 ( -0.000 3.598 0.000) 3.598 23.555 ( -0.000 0.047 0.000) 0.047 27.078 ( -0.000 0.649 0.000) 0.649 28.390 ( 0.000 -1.044 0.000) 1.044 28.720 ( 0.000 -6.708 0.000) 6.708 29.595 ( -0.000 18.912 0.000) 18.912 29.632 ( -0.000 3.846 0.000) 3.846 30.796 ( 0.000 -8.593 0.000) 8.593 ======================= Grid point 23 (16/186) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 44.471 0.000 0.000) 44.471 2.381 ( 56.139 0.000 0.000) 56.139 3.892 ( 86.240 0.000 0.000) 86.240 6.956 ( -45.660 -0.000 0.000) 45.660 7.203 ( -16.287 -0.000 0.000) 16.287 7.897 ( 5.847 0.000 0.000) 5.847 7.959 ( 14.977 0.000 0.000) 14.977 8.189 ( -2.135 -0.000 0.000) 2.135 8.513 ( 8.287 0.000 0.000) 8.287 8.829 ( -9.016 -0.000 0.000) 9.016 9.592 ( -22.198 -0.000 0.000) 22.198 9.982 ( -2.120 -0.000 0.000) 2.120 10.843 ( -17.075 -0.000 0.000) 17.075 11.405 ( 5.155 0.000 0.000) 5.155 11.758 ( -14.527 -0.000 0.000) 14.527 12.288 ( 16.124 0.000 0.000) 16.124 12.520 ( 13.297 0.000 0.000) 13.297 12.724 ( -20.347 -0.000 0.000) 20.347 12.987 ( -6.338 -0.000 0.000) 6.338 13.447 ( 6.384 0.000 0.000) 6.384 14.802 ( 4.977 0.000 0.000) 4.977 14.959 ( -12.546 -0.000 0.000) 12.546 16.033 ( 4.494 0.000 0.000) 4.494 16.111 ( -1.825 -0.000 0.000) 1.825 17.028 ( -7.585 -0.000 0.000) 7.585 18.659 ( 0.488 0.000 0.000) 0.488 18.782 ( 4.318 0.000 0.000) 4.318 19.505 ( 3.050 0.000 0.000) 3.050 19.800 ( 1.340 0.000 0.000) 1.340 22.971 ( 2.754 0.000 0.000) 2.754 26.866 ( 8.201 0.000 0.000) 8.201 27.066 ( 0.087 0.000 0.000) 0.087 28.725 ( 0.797 0.000 0.000) 0.797 28.890 ( -9.022 -0.000 0.000) 9.022 29.781 ( 10.143 0.000 0.000) 10.143 32.836 ( -7.015 -0.000 0.000) 7.015 ======================= Grid point 24 (17/186) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 33.834 -20.245 0.000) 39.429 3.139 ( 50.433 -20.707 0.000) 54.519 4.888 ( 68.828 -16.739 0.000) 70.834 6.278 ( -55.670 12.357 0.000) 57.025 7.037 ( -17.450 -0.713 0.000) 17.464 7.673 ( -7.478 21.905 0.000) 23.146 7.893 ( -1.713 15.282 0.000) 15.378 8.164 ( 7.713 18.311 0.000) 19.869 8.715 ( 21.778 -19.485 0.000) 29.222 8.870 ( 15.873 -9.283 0.000) 18.388 9.705 ( -20.690 -21.530 0.000) 29.860 9.941 ( -1.205 2.756 0.000) 3.008 10.548 ( -9.173 11.286 0.000) 14.543 11.333 ( -5.990 11.089 0.000) 12.603 11.548 ( -7.487 4.050 0.000) 8.512 12.117 ( -7.993 12.432 0.000) 14.780 12.572 ( 9.425 10.917 0.000) 14.423 12.905 ( -6.326 -20.513 0.000) 21.466 12.955 ( -10.735 -5.712 0.000) 12.160 13.470 ( 4.175 2.705 0.000) 4.975 14.721 ( -10.791 9.831 0.000) 14.597 14.918 ( 4.503 -7.111 0.000) 8.416 16.045 ( 0.377 2.607 0.000) 2.634 16.106 ( 2.979 -0.081 0.000) 2.980 17.118 ( -9.937 -17.222 0.000) 19.883 18.627 ( 0.787 3.831 0.000) 3.911 18.795 ( 5.123 3.796 0.000) 6.376 19.539 ( 1.091 -1.345 0.000) 1.732 19.746 ( 4.584 7.190 0.000) 8.527 23.111 ( -0.165 -10.629 0.000) 10.631 26.996 ( 2.783 -2.228 0.000) 3.565 27.167 ( 2.724 -11.911 0.000) 12.218 28.761 ( -1.998 -2.658 0.000) 3.325 28.853 ( -7.598 -7.657 0.000) 10.787 29.890 ( 10.477 0.125 0.000) 10.478 32.554 ( -2.498 21.664 0.000) 21.808 ======================= Grid point 25 (18/186) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 11.703 -17.562 0.000) 21.104 4.063 ( 41.908 -28.488 0.000) 50.674 5.438 ( -19.145 10.652 0.000) 21.908 5.662 ( -6.570 -1.350 0.000) 6.707 6.860 ( -18.541 1.701 0.000) 18.618 7.288 ( 8.437 11.871 0.000) 14.564 7.570 ( 1.007 12.269 0.000) 12.310 8.131 ( 25.951 8.035 0.000) 27.167 9.134 ( 8.344 -13.607 0.000) 15.961 9.271 ( 3.131 -6.004 0.000) 6.771 9.839 ( 7.870 -10.333 0.000) 12.989 9.866 ( -0.891 4.162 0.000) 4.257 10.357 ( 0.021 3.300 0.000) 3.300 11.002 ( -6.505 18.694 0.000) 19.793 11.457 ( -7.832 -2.011 0.000) 8.086 11.895 ( -10.131 0.334 0.000) 10.137 12.277 ( -0.061 26.013 0.000) 26.014 12.919 ( -13.498 -3.910 0.000) 14.053 13.156 ( -5.193 -14.699 0.000) 15.589 13.455 ( -1.218 0.700 0.000) 1.405 14.414 ( -12.792 11.787 0.000) 17.395 15.121 ( 3.667 -10.306 0.000) 10.938 15.986 ( 0.603 3.825 0.000) 3.872 16.148 ( 3.884 -0.078 0.000) 3.885 17.374 ( -7.674 -21.060 0.000) 22.414 18.561 ( 1.516 4.510 0.000) 4.758 18.759 ( 6.184 6.638 0.000) 9.072 19.566 ( -1.115 -1.298 0.000) 1.711 19.681 ( 4.308 4.943 0.000) 6.557 23.281 ( -1.189 -9.018 0.000) 9.096 27.032 ( 0.763 -0.999 0.000) 1.257 27.439 ( 4.215 -12.906 0.000) 13.577 28.749 ( -8.939 -3.711 0.000) 9.679 29.023 ( -2.668 -15.618 0.000) 15.845 29.977 ( 8.659 1.467 0.000) 8.782 32.111 ( 1.681 26.945 0.000) 26.997 ======================= Grid point 26 (19/186) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -21.275 3.227 0.000) 21.519 4.913 ( 23.941 -20.470 0.000) 31.499 5.285 ( -9.531 -10.911 0.000) 14.488 5.378 ( -11.177 3.166 0.000) 11.617 6.676 ( -7.755 9.167 0.000) 12.007 6.964 ( -12.480 12.291 0.000) 17.516 7.802 ( 15.596 -10.089 0.000) 18.575 8.408 ( 39.830 -0.330 0.000) 39.831 9.069 ( -12.967 13.764 0.000) 18.910 9.418 ( 9.345 -6.202 0.000) 11.216 9.796 ( -3.816 1.265 0.000) 4.021 10.081 ( 11.659 -1.724 0.000) 11.786 10.508 ( 4.377 17.149 0.000) 17.699 10.622 ( 14.977 -4.463 0.000) 15.628 11.378 ( -1.642 8.327 0.000) 8.487 11.749 ( -9.025 16.721 0.000) 19.001 11.956 ( -11.899 -11.552 0.000) 16.585 12.811 ( -11.798 -0.177 0.000) 11.799 13.321 ( -9.334 -11.870 0.000) 15.100 13.440 ( -5.264 -3.307 0.000) 6.217 14.048 ( -13.668 13.011 0.000) 18.871 15.329 ( 2.833 -8.865 0.000) 9.307 15.930 ( 2.037 4.102 0.000) 4.580 16.173 ( 1.874 0.969 0.000) 2.110 17.672 ( -3.594 -18.372 0.000) 18.720 18.508 ( 2.223 3.686 0.000) 4.305 18.704 ( 6.315 6.174 0.000) 8.832 19.546 ( -2.731 1.289 0.000) 3.020 19.666 ( 2.317 1.075 0.000) 2.554 23.402 ( -0.719 -5.870 0.000) 5.914 27.056 ( 0.366 -1.092 0.000) 1.151 27.694 ( 8.030 -9.053 0.000) 12.101 28.719 ( -11.678 -4.700 0.000) 12.589 29.311 ( -2.727 -19.290 0.000) 19.482 30.014 ( 5.539 2.503 0.000) 6.078 31.657 ( 3.392 27.294 0.000) 27.504 ======================= Grid point 27 (20/186) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -16.761 -15.408 0.000) 22.767 4.561 ( -28.736 22.639 0.000) 36.583 5.712 ( 18.736 -18.371 0.000) 26.240 5.898 ( 9.002 -33.276 0.000) 34.472 6.140 ( -3.281 34.384 0.000) 34.540 6.964 ( -10.844 -19.844 0.000) 22.614 8.043 ( 3.434 -9.040 0.000) 9.670 8.610 ( 12.141 29.591 0.000) 31.985 8.683 ( -1.625 11.516 0.000) 11.630 9.492 ( 5.349 4.767 0.000) 7.165 9.628 ( -2.521 12.084 0.000) 12.344 10.148 ( 10.034 7.228 0.000) 12.367 10.461 ( 20.875 -8.401 0.000) 22.502 10.918 ( 11.718 1.344 0.000) 11.794 11.175 ( 3.516 8.746 0.000) 9.426 11.484 ( -7.755 2.008 0.000) 8.011 12.080 ( -17.779 -15.850 0.000) 23.819 12.793 ( -1.624 -7.873 0.000) 8.038 13.377 ( -12.661 -6.795 0.000) 14.369 13.406 ( -11.225 0.325 0.000) 11.230 13.778 ( -5.215 2.376 0.000) 5.731 15.474 ( 2.211 -4.242 0.000) 4.784 15.882 ( 2.029 3.759 0.000) 4.272 16.151 ( -0.504 2.073 0.000) 2.133 17.919 ( -0.394 -11.206 0.000) 11.213 18.483 ( 1.975 1.198 0.000) 2.310 18.693 ( 6.210 2.005 0.000) 6.526 19.470 ( -3.791 3.493 0.000) 5.155 19.670 ( 0.679 0.582 0.000) 0.895 23.478 ( -0.114 -3.394 0.000) 3.396 27.076 ( 0.177 -0.869 0.000) 0.887 27.930 ( 12.890 -5.754 0.000) 14.116 28.669 ( -13.868 -4.399 0.000) 14.549 29.611 ( -3.051 -16.756 0.000) 17.031 30.022 ( 2.279 -0.084 0.000) 2.281 31.219 ( 3.381 26.302 0.000) 26.519 ======================= Grid point 28 (21/186) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 0.925 -31.087 0.000) 31.101 3.908 ( -21.209 9.698 0.000) 23.321 5.266 ( -3.316 48.517 0.000) 48.630 6.198 ( 4.403 -17.208 0.000) 17.763 6.685 ( 8.195 -39.729 0.000) 40.566 7.261 ( -0.739 -9.312 0.000) 9.341 7.868 ( 2.392 48.104 0.000) 48.163 8.221 ( -0.932 7.666 0.000) 7.723 8.397 ( -9.082 -8.576 0.000) 12.491 9.418 ( 0.018 10.636 0.000) 10.636 9.544 ( 7.781 1.781 0.000) 7.982 10.102 ( 3.018 7.759 0.000) 8.325 10.545 ( 6.454 20.838 0.000) 21.815 11.017 ( 14.109 -8.102 0.000) 16.270 11.238 ( -2.807 -10.146 0.000) 10.527 11.604 ( 12.446 -12.047 0.000) 17.322 12.118 ( -21.682 -13.082 0.000) 25.323 12.978 ( 0.864 -5.073 0.000) 5.146 13.173 ( -3.665 7.125 0.000) 8.012 13.423 ( -9.397 -9.734 0.000) 13.530 13.818 ( -1.587 -7.022 0.000) 7.199 15.514 ( 1.370 2.017 0.000) 2.438 15.837 ( 0.368 2.815 0.000) 2.839 16.109 ( -0.760 1.147 0.000) 1.376 18.049 ( 0.665 -3.882 0.000) 3.938 18.509 ( 0.815 -2.010 0.000) 2.169 18.764 ( 6.364 -2.470 0.000) 6.826 19.344 ( -4.631 5.865 0.000) 7.473 19.652 ( -0.025 1.876 0.000) 1.876 23.523 ( 0.231 -1.748 0.000) 1.763 27.089 ( 0.113 -0.439 0.000) 0.453 28.164 ( 16.129 -3.738 0.000) 16.557 28.589 ( -14.972 -3.535 0.000) 15.383 29.772 ( -1.421 -3.375 0.000) 3.662 30.127 ( -0.529 -11.445 0.000) 11.457 30.794 ( 1.371 24.841 0.000) 24.879 ======================= Grid point 29 (22/186) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -0.000 35.760 0.000) 35.760 4.327 ( -0.000 54.925 0.000) 54.925 4.696 ( 0.000 -65.821 0.000) 65.821 6.381 ( -0.000 77.326 0.000) 77.326 6.520 ( 0.000 -17.966 0.000) 17.966 7.452 ( 0.000 -35.401 0.000) 35.401 7.858 ( 0.000 -21.143 0.000) 21.143 7.925 ( -0.000 15.993 0.000) 15.993 8.756 ( 0.000 -24.841 0.000) 24.841 9.220 ( -0.000 8.594 0.000) 8.594 9.398 ( -0.000 23.462 0.000) 23.462 9.958 ( -0.000 5.347 0.000) 5.347 10.345 ( -0.000 1.395 0.000) 1.395 11.306 ( 0.000 -4.160 0.000) 4.160 11.388 ( 0.000 -18.932 0.000) 18.932 11.903 ( 0.000 -8.149 0.000) 8.149 12.256 ( 0.000 -17.626 0.000) 17.626 12.787 ( -0.000 17.250 0.000) 17.250 13.190 ( 0.000 -2.563 0.000) 2.563 13.560 ( 0.000 -9.083 0.000) 9.083 13.931 ( 0.000 -6.049 0.000) 6.049 15.430 ( -0.000 8.214 0.000) 8.214 15.798 ( -0.000 1.000 0.000) 1.000 16.108 ( 0.000 -1.115 0.000) 1.115 18.101 ( 0.000 -2.325 0.000) 2.325 18.551 ( 0.000 -2.018 0.000) 2.018 18.878 ( 0.000 -4.437 0.000) 4.437 19.182 ( -0.000 8.220 0.000) 8.220 19.605 ( -0.000 3.351 0.000) 3.351 23.547 ( 0.000 -0.757 0.000) 0.757 27.094 ( -0.000 0.062 0.000) 0.062 28.342 ( 0.000 -2.251 0.000) 2.251 28.538 ( 0.000 -3.874 0.000) 3.874 29.759 ( -0.000 2.443 0.000) 2.443 30.363 ( -0.000 24.089 0.000) 24.089 30.369 ( 0.000 -14.707 0.000) 14.707 ======================= Grid point 34 (23/186) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 34.886 0.000 0.000) 34.886 3.498 ( 52.379 0.000 0.000) 52.379 5.453 ( 61.697 0.000 0.000) 61.697 5.758 ( -59.996 -0.000 0.000) 59.996 6.845 ( -17.409 -0.000 0.000) 17.409 7.928 ( -12.974 -0.000 0.000) 12.974 8.081 ( -3.962 -0.000 0.000) 3.962 8.306 ( 17.006 0.000 0.000) 17.006 8.585 ( -2.168 -0.000 0.000) 2.168 9.122 ( 34.423 0.000 0.000) 34.423 9.271 ( -3.405 -0.000 0.000) 3.405 9.965 ( 1.214 0.000 0.000) 1.214 10.504 ( -15.655 -0.000 0.000) 15.655 11.405 ( -19.180 -0.000 0.000) 19.180 11.446 ( -0.207 -0.000 0.000) 0.207 12.230 ( -27.454 -0.000 0.000) 27.454 12.454 ( -1.893 -0.000 0.000) 1.893 12.807 ( -8.170 -0.000 0.000) 8.170 12.849 ( 15.704 0.000 0.000) 15.704 13.564 ( 4.886 0.000 0.000) 4.886 14.669 ( -14.596 -0.000 0.000) 14.596 14.902 ( 4.282 0.000 0.000) 4.282 16.056 ( -1.743 -0.000 0.000) 1.743 16.149 ( 4.861 0.000 0.000) 4.861 16.875 ( -6.869 -0.000 0.000) 6.869 18.668 ( 0.363 0.000 0.000) 0.363 18.874 ( 4.466 0.000 0.000) 4.466 19.523 ( -1.257 -0.000 0.000) 1.257 19.873 ( 5.264 0.000 0.000) 5.264 23.025 ( 2.299 0.000 0.000) 2.299 27.059 ( 10.170 0.000 0.000) 10.170 27.067 ( 0.083 0.000 0.000) 0.083 28.675 ( -10.215 -0.000 0.000) 10.215 28.751 ( 0.515 0.000 0.000) 0.515 30.008 ( 11.308 0.000 0.000) 11.308 32.676 ( -8.149 -0.000 0.000) 8.149 ======================= Grid point 35 (24/186) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 18.500 -5.826 0.000) 19.396 4.149 ( 47.383 -13.959 0.000) 49.396 5.158 ( -45.369 2.508 0.000) 45.439 5.882 ( 21.285 8.389 0.000) 22.879 6.657 ( -21.330 3.861 0.000) 21.676 7.599 ( 9.081 9.156 0.000) 12.896 7.874 ( -0.511 17.514 0.000) 17.522 8.514 ( 19.364 2.079 0.000) 19.475 8.793 ( -8.326 -22.422 0.000) 23.918 9.233 ( 11.977 0.617 0.000) 11.993 9.723 ( 20.327 -15.404 0.000) 25.504 9.977 ( 9.275 2.436 0.000) 9.589 10.340 ( -8.579 0.380 0.000) 8.588 11.155 ( -12.894 5.776 0.000) 14.128 11.399 ( -4.361 3.743 0.000) 5.747 11.815 ( -21.208 7.804 0.000) 22.598 12.501 ( -17.546 -8.465 0.000) 19.482 12.709 ( -7.182 6.911 0.000) 9.967 13.001 ( 10.601 -2.706 0.000) 10.941 13.527 ( 1.097 7.196 0.000) 7.279 14.450 ( -13.392 7.787 0.000) 15.492 15.002 ( 3.381 -6.645 0.000) 7.456 16.030 ( -0.825 1.160 0.000) 1.424 16.196 ( 4.458 0.280 0.000) 4.467 16.964 ( -5.466 -16.083 0.000) 16.986 18.639 ( 0.416 3.225 0.000) 3.252 18.903 ( 5.019 2.249 0.000) 5.500 19.519 ( -2.417 -1.532 0.000) 2.862 19.851 ( 5.046 7.499 0.000) 9.039 23.122 ( 0.813 -7.647 0.000) 7.690 27.043 ( 1.345 1.047 0.000) 1.704 27.281 ( 7.692 -10.875 0.000) 13.320 28.587 ( -10.726 -2.122 0.000) 10.934 28.822 ( 0.861 -7.103 0.000) 7.155 30.104 ( 9.587 1.732 0.000) 9.743 32.462 ( -5.323 14.496 0.000) 15.442 ======================= Grid point 36 (25/186) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -13.792 8.747 0.000) 16.332 4.880 ( 27.564 -16.422 0.000) 32.086 4.955 ( -0.306 -15.210 0.000) 15.213 5.560 ( -8.700 27.053 0.000) 28.418 6.375 ( -27.308 -7.501 0.000) 28.320 7.380 ( -0.889 28.246 0.000) 28.260 7.903 ( 20.399 -1.936 0.000) 20.491 8.773 ( 30.047 -4.256 0.000) 30.347 8.979 ( -13.757 -8.221 0.000) 16.027 9.389 ( 13.534 -5.693 0.000) 14.683 9.814 ( -3.071 4.728 0.000) 5.638 10.114 ( 4.717 -2.585 0.000) 5.378 10.540 ( 17.259 -12.653 0.000) 21.400 10.926 ( -0.748 14.113 0.000) 14.133 11.343 ( -0.817 -5.026 0.000) 5.092 11.582 ( -19.585 -4.689 0.000) 20.138 12.226 ( -3.176 29.482 0.000) 29.652 12.555 ( -21.592 -10.924 0.000) 24.198 13.128 ( 3.235 -2.446 0.000) 4.055 13.385 ( -5.578 4.204 0.000) 6.985 14.141 ( -11.064 12.155 0.000) 16.436 15.185 ( 2.295 -9.958 0.000) 10.219 16.002 ( 0.735 2.098 0.000) 2.223 16.221 ( 2.750 1.389 0.000) 3.081 17.272 ( -2.839 -22.009 0.000) 22.191 18.582 ( 0.650 3.438 0.000) 3.499 18.889 ( 5.672 5.719 0.000) 8.055 19.516 ( -3.024 -0.957 0.000) 3.171 19.757 ( 2.805 6.538 0.000) 7.115 23.271 ( -0.122 -8.136 0.000) 8.137 27.048 ( 0.621 -0.300 0.000) 0.690 27.577 ( 7.885 -13.122 0.000) 15.309 28.523 ( -10.987 -3.027 0.000) 11.396 29.013 ( 0.459 -13.409 0.000) 13.417 30.135 ( 6.031 3.895 0.000) 7.180 32.103 ( -1.416 21.450 0.000) 21.497 ======================= Grid point 37 (26/186) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -16.290 6.343 0.000) 17.481 4.817 ( -9.278 27.909 0.000) 29.411 5.368 ( 2.420 -30.096 0.000) 30.193 5.614 ( 21.703 -15.097 0.000) 26.438 6.402 ( -16.081 -21.496 0.000) 26.845 6.795 ( -3.193 34.539 0.000) 34.686 8.017 ( 5.393 1.141 0.000) 5.512 8.833 ( -6.051 10.598 0.000) 12.204 9.091 ( 17.070 3.233 0.000) 17.374 9.595 ( 6.720 0.002 0.000) 6.720 9.704 ( -4.074 2.834 0.000) 4.963 10.358 ( 16.178 -7.319 0.000) 17.757 10.544 ( 1.047 6.992 0.000) 7.070 10.953 ( 8.858 -6.187 0.000) 10.805 11.415 ( -2.048 0.808 0.000) 2.202 11.583 ( -6.046 7.661 0.000) 9.760 11.642 ( -8.557 8.698 0.000) 12.202 12.599 ( -7.976 -12.856 0.000) 15.129 13.125 ( -6.600 -1.346 0.000) 6.736 13.333 ( -3.575 -2.360 0.000) 4.284 13.842 ( -5.213 10.509 0.000) 11.731 15.374 ( 1.259 -8.797 0.000) 8.887 15.964 ( 0.960 3.327 0.000) 3.463 16.199 ( 0.648 2.946 0.000) 3.016 17.632 ( -0.752 -19.741 0.000) 19.755 18.536 ( 0.664 2.649 0.000) 2.731 18.824 ( 3.944 6.500 0.000) 7.603 19.484 ( -2.322 1.429 0.000) 2.727 19.699 ( 0.848 2.326 0.000) 2.476 23.394 ( -0.132 -5.948 0.000) 5.949 27.063 ( 0.208 -0.805 0.000) 0.832 27.891 ( 8.664 -12.342 0.000) 15.079 28.465 ( -10.208 -2.805 0.000) 10.586 29.287 ( -0.251 -16.987 0.000) 16.989 30.098 ( 2.306 4.611 0.000) 5.155 31.692 ( 0.573 24.470 0.000) 24.477 ======================= Grid point 38 (27/186) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 0.000 -25.430 0.000) 25.430 4.261 ( -0.000 28.000 0.000) 28.000 5.958 ( 0.000 -13.644 0.000) 13.644 5.976 ( 0.000 -16.115 0.000) 16.115 6.102 ( -0.000 20.255 0.000) 20.255 6.825 ( 0.000 -29.095 0.000) 29.095 8.082 ( 0.000 -7.454 0.000) 7.454 8.548 ( -0.000 16.675 0.000) 16.675 8.804 ( -0.000 40.724 0.000) 40.724 9.589 ( -0.000 1.158 0.000) 1.158 9.591 ( -0.000 7.718 0.000) 7.718 10.254 ( -0.000 7.669 0.000) 7.669 10.914 ( -0.000 12.941 0.000) 12.941 10.933 ( 0.000 -18.461 0.000) 18.461 11.190 ( -0.000 14.272 0.000) 14.272 11.532 ( 0.000 -11.509 0.000) 11.509 11.682 ( 0.000 -9.943 0.000) 9.943 12.832 ( 0.000 -13.351 0.000) 13.351 13.165 ( 0.000 -9.496 0.000) 9.496 13.291 ( -0.000 5.923 0.000) 5.923 13.727 ( 0.000 -0.820 0.000) 0.820 15.500 ( 0.000 -4.275 0.000) 4.275 15.904 ( -0.000 3.916 0.000) 3.916 16.144 ( -0.000 3.081 0.000) 3.081 17.917 ( 0.000 -12.159 0.000) 12.159 18.503 ( -0.000 1.127 0.000) 1.127 18.772 ( -0.000 1.212 0.000) 1.212 19.420 ( -0.000 4.415 0.000) 4.415 19.677 ( -0.000 1.068 0.000) 1.068 23.478 ( 0.000 -3.611 0.000) 3.611 27.079 ( 0.000 -0.807 0.000) 0.807 28.152 ( 0.000 -9.646 0.000) 9.646 28.436 ( 0.000 -2.039 0.000) 2.039 29.583 ( 0.000 -15.638 0.000) 15.638 30.047 ( -0.000 1.305 0.000) 1.305 31.253 ( -0.000 25.624 0.000) 25.624 ======================= Grid point 45 (28/186) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 10.726 0.000 0.000) 10.726 4.518 ( 46.665 0.000 0.000) 46.665 4.758 ( -31.387 -0.000 0.000) 31.387 6.009 ( -14.705 -0.000 0.000) 14.705 6.749 ( 12.591 0.000 0.000) 12.591 7.567 ( -16.196 -0.000 0.000) 16.196 8.056 ( -0.513 -0.000 0.000) 0.513 8.475 ( 3.710 0.000 0.000) 3.710 8.672 ( 8.889 0.000 0.000) 8.889 9.502 ( 23.666 0.000 0.000) 23.666 9.755 ( 14.128 0.000 0.000) 14.128 10.183 ( 27.617 0.000 0.000) 27.617 10.219 ( -11.398 -0.000 0.000) 11.398 10.985 ( -22.236 -0.000 0.000) 22.236 11.431 ( -0.357 -0.000 0.000) 0.357 11.651 ( -25.775 -0.000 0.000) 25.775 12.126 ( -25.892 -0.000 0.000) 25.892 12.768 ( 1.687 0.000 0.000) 1.687 13.106 ( 8.623 0.000 0.000) 8.623 13.646 ( 2.974 0.000 0.000) 2.974 14.402 ( -10.221 -0.000 0.000) 10.221 14.972 ( 2.397 0.000 0.000) 2.397 16.024 ( -1.182 -0.000 0.000) 1.182 16.242 ( 3.762 0.000 0.000) 3.762 16.759 ( -4.207 -0.000 0.000) 4.207 18.674 ( 0.178 0.000 0.000) 0.178 18.957 ( 3.278 0.000 0.000) 3.278 19.478 ( -2.361 -0.000 0.000) 2.361 19.978 ( 4.203 0.000 0.000) 4.203 23.062 ( 1.216 0.000 0.000) 1.216 27.069 ( 0.050 0.000 0.000) 0.050 27.257 ( 8.221 0.000 0.000) 8.221 28.471 ( -8.457 -0.000 0.000) 8.457 28.769 ( 0.755 0.000 0.000) 0.755 30.214 ( 7.865 0.000 0.000) 7.865 32.525 ( -5.899 -0.000 0.000) 5.899 ======================= Grid point 46 (29/186) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -5.223 9.007 0.000) 10.411 4.630 ( -7.126 -9.687 0.000) 12.026 5.063 ( 40.541 -9.010 0.000) 41.530 5.793 ( -25.185 -2.177 0.000) 25.279 6.284 ( -9.566 38.787 0.000) 39.950 7.821 ( 2.614 16.655 0.000) 16.859 7.920 ( 5.828 -20.775 0.000) 21.577 8.577 ( -2.800 -8.400 0.000) 8.854 8.858 ( 6.320 -10.965 0.000) 12.656 9.631 ( 21.622 8.846 0.000) 23.361 9.877 ( 2.506 2.440 0.000) 3.498 10.097 ( -2.734 -0.473 0.000) 2.775 10.523 ( 9.779 -4.343 0.000) 10.700 10.894 ( -3.424 -12.341 0.000) 12.808 11.376 ( 1.822 5.889 0.000) 6.164 11.384 ( -14.692 3.262 0.000) 15.049 12.015 ( -23.036 -15.427 0.000) 27.724 12.658 ( -0.314 15.283 0.000) 15.286 13.181 ( 5.433 -0.923 0.000) 5.511 13.522 ( -0.936 13.975 0.000) 14.007 14.242 ( -5.703 8.315 0.000) 10.083 15.050 ( 1.215 -6.564 0.000) 6.675 16.018 ( -0.284 -0.137 0.000) 0.315 16.266 ( 1.981 0.808 0.000) 2.140 16.888 ( -1.909 -16.922 0.000) 17.029 18.645 ( 0.145 2.964 0.000) 2.968 18.984 ( 2.382 0.603 0.000) 2.457 19.469 ( -1.693 -1.121 0.000) 2.031 19.929 ( 2.093 8.296 0.000) 8.556 23.135 ( 0.365 -6.572 0.000) 6.582 27.058 ( 0.269 0.755 0.000) 0.802 27.425 ( 4.717 -10.241 0.000) 11.275 28.406 ( -5.479 -0.701 0.000) 5.524 28.838 ( 0.455 -7.046 0.000) 7.061 30.252 ( 4.035 2.825 0.000) 4.926 32.373 ( -2.598 11.490 0.000) 11.780 ======================= Grid point 47 (30/186) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -0.000 17.271 0.000) 17.271 4.900 ( 0.000 -22.386 0.000) 22.386 5.308 ( -0.000 24.317 0.000) 24.317 5.662 ( -0.000 7.629 0.000) 7.629 5.843 ( 0.000 -22.612 0.000) 22.612 7.366 ( -0.000 30.147 0.000) 30.147 8.125 ( -0.000 4.008 0.000) 4.008 8.802 ( 0.000 -12.554 0.000) 12.554 9.101 ( 0.000 -9.999 0.000) 9.999 9.666 ( -0.000 0.907 0.000) 0.907 9.729 ( -0.000 7.682 0.000) 7.682 10.225 ( 0.000 -11.850 0.000) 11.850 10.591 ( 0.000 -2.328 0.000) 2.328 11.014 ( -0.000 5.146 0.000) 5.146 11.285 ( 0.000 -1.764 0.000) 1.764 11.431 ( 0.000 -10.807 0.000) 10.807 12.209 ( -0.000 33.486 0.000) 33.486 12.213 ( 0.000 -20.102 0.000) 20.102 13.237 ( -0.000 13.463 0.000) 13.463 13.256 ( 0.000 -3.318 0.000) 3.318 14.022 ( -0.000 12.249 0.000) 12.249 15.209 ( 0.000 -9.956 0.000) 9.956 16.010 ( -0.000 1.329 0.000) 1.329 16.250 ( -0.000 2.103 0.000) 2.103 17.244 ( 0.000 -22.605 0.000) 22.605 18.589 ( -0.000 3.139 0.000) 3.139 18.955 ( -0.000 4.759 0.000) 4.759 19.477 ( 0.000 -0.614 0.000) 0.614 19.787 ( -0.000 7.323 0.000) 7.323 23.270 ( 0.000 -7.820 0.000) 7.820 27.054 ( 0.000 -0.199 0.000) 0.199 27.681 ( 0.000 -14.841 0.000) 14.841 28.387 ( 0.000 -0.793 0.000) 0.793 29.019 ( 0.000 -13.014 0.000) 13.014 30.201 ( -0.000 4.919 0.000) 4.919 32.084 ( -0.000 19.473 0.000) 19.473 ======================= Grid point 58 (31/186) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.414 ( -0.000 -0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.024 ( -0.000 -0.000 0.000) 0.000 10.597 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.678 ( 0.000 0.000 0.000) 0.000 14.290 ( 0.000 0.000 0.000) 0.000 14.997 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.285 ( 0.000 0.000 0.000) 0.000 16.713 ( 0.000 0.000 0.000) 0.000 18.675 ( 0.000 0.000 0.000) 0.000 18.994 ( 0.000 0.000 0.000) 0.000 19.450 ( 0.000 0.000 0.000) 0.000 20.024 ( 0.000 0.000 0.000) 0.000 23.074 ( 0.000 0.000 0.000) 0.000 27.069 ( 0.000 0.000 0.000) 0.000 27.352 ( 0.000 0.000 0.000) 0.000 28.374 ( 0.000 0.000 0.000) 0.000 28.777 ( 0.000 0.000 0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 32.460 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/186) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.000 56.641) 56.641 1.240 ( 0.000 0.000 63.474) 63.474 1.755 ( 0.000 0.000 89.303) 89.303 6.713 ( 0.000 0.000 -22.001) 22.001 7.314 ( 0.000 0.000 -39.075) 39.075 7.495 ( 0.000 0.000 -6.194) 6.194 7.798 ( 0.000 0.000 -22.278) 22.278 9.287 ( 0.000 0.000 -7.461) 7.461 9.354 ( 0.000 0.000 15.576) 15.576 9.799 ( 0.000 0.000 -16.792) 16.792 10.035 ( 0.000 0.000 -23.111) 23.111 10.306 ( 0.000 0.000 18.071) 18.071 10.970 ( 0.000 0.000 5.815) 5.815 11.576 ( 0.000 0.000 10.804) 10.804 11.890 ( 0.000 0.000 7.041) 7.041 11.920 ( 0.000 0.000 -8.274) 8.274 12.289 ( 0.000 0.000 3.396) 3.396 12.819 ( 0.000 0.000 0.203) 0.203 13.161 ( 0.000 0.000 9.956) 9.956 13.340 ( 0.000 0.000 1.275) 1.275 14.087 ( 0.000 0.000 10.273) 10.273 15.729 ( 0.000 0.000 -11.723) 11.723 16.334 ( 0.000 0.000 1.165) 1.165 16.433 ( 0.000 0.000 19.458) 19.458 17.249 ( 0.000 0.000 3.309) 3.309 18.512 ( 0.000 0.000 -13.391) 13.391 18.789 ( 0.000 0.000 -1.992) 1.992 18.800 ( 0.000 0.000 -1.972) 1.972 21.468 ( 0.000 0.000 5.661) 5.661 22.951 ( 0.000 0.000 4.841) 4.841 26.722 ( 0.000 0.000 3.558) 3.558 28.727 ( 0.000 0.000 2.115) 2.115 28.857 ( 0.000 0.000 -3.425) 3.425 29.000 ( 0.000 0.000 0.053) 0.053 29.090 ( 0.000 0.000 -0.231) 0.231 30.413 ( 0.000 0.000 -4.883) 4.883 ======================= Grid point 106 (33/186) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 10.603 -22.131 42.077) 48.711 1.586 ( 29.096 -26.276 41.685) 57.225 2.691 ( 31.283 -67.723 58.756) 94.959 6.619 ( 4.441 14.406 -31.519) 34.939 7.323 ( 1.389 -0.908 -22.886) 22.946 7.587 ( 0.735 -9.297 -8.361) 12.525 7.902 ( 1.307 -8.943 -25.900) 27.432 8.756 ( -13.020 41.217 19.530) 47.432 9.072 ( -23.366 19.810 5.253) 31.080 9.175 ( -24.545 25.612 24.355) 43.030 9.745 ( -1.056 4.393 -19.260) 19.783 10.480 ( 0.370 0.266 10.163) 10.173 10.974 ( -9.245 6.979 8.977) 14.655 11.209 ( 12.810 5.079 10.008) 17.031 11.860 ( -9.783 -0.710 -6.038) 11.518 12.148 ( 1.454 -3.165 -2.311) 4.180 12.292 ( 3.717 2.237 2.290) 4.906 12.970 ( 9.135 -5.301 -1.870) 10.726 13.216 ( 3.533 4.775 9.122) 10.885 13.525 ( -2.663 -17.949 1.942) 18.249 14.137 ( 7.601 -0.879 3.221) 8.302 15.487 ( -2.447 36.096 36.400) 51.321 15.722 ( 0.785 1.467 -11.705) 11.823 16.429 ( 0.281 0.670 19.692) 19.705 17.725 ( -14.921 -27.428 -15.864) 35.023 18.502 ( -0.707 1.234 -13.095) 13.172 18.692 ( -3.507 4.554 0.729) 5.794 18.928 ( 14.417 -1.623 -9.169) 17.163 20.408 ( -10.695 37.706 49.632) 63.242 23.343 ( -9.289 -17.728 -5.859) 20.854 26.926 ( -0.287 -10.563 -5.583) 11.951 28.133 ( -55.850 -12.533 16.696) 59.624 28.782 ( -3.987 -2.948 1.385) 5.148 29.156 ( -5.588 -11.322 -1.364) 12.700 29.512 ( 11.485 -4.441 -6.850) 14.090 31.041 ( 69.551 11.167 -37.023) 79.579 ======================= Grid point 107 (34/186) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 23.144 -49.302 -5.922) 54.784 2.460 ( 31.829 -34.067 26.592) 53.673 4.291 ( 33.970 -71.088 44.514) 90.493 6.282 ( -0.188 27.164 -34.444) 43.867 7.202 ( -6.686 21.216 -7.530) 23.485 7.702 ( -5.167 4.828 -13.570) 15.302 7.892 ( -4.000 4.106 3.321) 6.625 8.283 ( -6.927 -2.537 -2.668) 7.845 8.511 ( -16.262 4.829 6.341) 18.110 8.783 ( -5.171 6.572 4.084) 9.307 9.676 ( -0.699 2.585 -20.798) 20.970 10.217 ( 7.070 26.859 5.873) 28.388 10.597 ( -15.587 13.836 8.641) 22.562 11.420 ( 1.548 -0.169 7.181) 7.348 11.824 ( -9.423 -12.233 1.048) 15.477 12.097 ( -3.031 6.525 3.454) 7.981 12.233 ( 2.084 7.870 1.302) 8.245 13.034 ( 6.742 5.147 5.607) 10.168 13.305 ( 10.653 -6.545 5.186) 13.536 13.654 ( -9.026 -3.197 5.693) 11.140 14.225 ( 9.876 2.310 0.175) 10.144 15.205 ( 2.173 2.018 16.500) 16.764 15.695 ( 1.057 2.657 -12.549) 12.870 16.416 ( 0.268 0.924 20.508) 20.531 17.906 ( -15.504 -14.232 -9.022) 22.898 18.448 ( -1.542 3.382 -11.048) 11.657 18.583 ( -1.660 4.225 -2.675) 5.269 19.120 ( 12.347 -3.737 -10.375) 16.555 20.017 ( -1.703 7.890 35.136) 36.052 23.458 ( -5.925 -6.952 -0.208) 9.136 27.034 ( -0.232 -3.489 -1.857) 3.960 27.929 ( -29.388 -10.231 8.546) 32.270 28.811 ( 2.439 -1.186 1.173) 2.955 29.350 ( -9.286 -18.899 -2.183) 21.170 29.654 ( 5.025 -3.780 -2.623) 6.813 31.226 ( 36.779 23.878 -21.763) 48.954 ======================= Grid point 108 (35/186) ======================= q-point: ( 0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 26.275 -34.886 5.777) 44.054 3.395 ( 21.415 -46.837 -7.509) 52.045 5.608 ( -1.154 36.795 -11.178) 38.473 5.792 ( 20.058 -53.312 35.002) 66.855 6.624 ( -3.551 24.476 -14.048) 28.443 7.452 ( -17.928 13.207 -6.302) 23.142 7.722 ( -17.098 13.306 -2.786) 21.843 8.045 ( -9.219 -11.042 9.653) 17.324 8.771 ( 12.131 -3.800 -7.508) 14.764 8.869 ( 9.996 -14.081 -16.325) 23.763 9.601 ( -1.548 6.828 -14.850) 16.418 9.877 ( 7.561 16.795 0.816) 18.436 10.255 ( -8.022 6.864 11.826) 15.853 11.160 ( -15.761 14.680 3.149) 21.768 11.803 ( -4.750 17.183 10.171) 20.525 12.009 ( -1.258 7.040 3.493) 7.958 12.177 ( -4.643 -15.322 7.228) 17.566 13.100 ( 9.470 -2.052 2.551) 10.020 13.470 ( 2.711 7.990 2.019) 8.676 13.554 ( -3.779 -7.391 6.159) 10.336 14.232 ( 6.521 7.210 1.653) 9.861 15.288 ( 1.425 -6.297 4.782) 8.034 15.654 ( 0.548 2.649 -13.506) 13.775 16.410 ( 0.831 0.240 21.657) 21.675 17.960 ( -9.957 -7.111 -6.070) 13.659 18.373 ( -2.279 2.136 -9.820) 10.304 18.514 ( -1.466 1.934 -5.838) 6.323 19.296 ( 9.133 -3.436 -7.831) 12.512 19.942 ( -0.551 1.116 28.556) 28.584 23.502 ( -3.038 -3.534 1.332) 4.847 27.075 ( -0.042 -1.708 0.676) 1.837 27.837 ( -16.077 -5.353 4.546) 17.544 28.868 ( 3.717 -1.476 1.081) 4.143 29.613 ( -9.610 -21.027 -3.583) 23.395 29.764 ( 3.604 -3.978 -1.799) 5.661 31.076 ( 21.040 24.921 -12.386) 34.888 ======================= Grid point 109 (36/186) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( -2.189 -2.660 18.371) 18.691 4.437 ( 16.906 -44.902 -25.222) 54.205 5.148 ( 27.937 11.093 4.773) 30.435 6.016 ( -8.109 21.043 -25.156) 33.784 6.516 ( -34.195 8.890 11.427) 37.133 7.198 ( 0.589 -3.401 0.355) 3.469 7.590 ( 11.836 -16.575 7.840) 21.824 8.245 ( -4.267 -13.648 15.436) 21.042 8.898 ( 13.876 2.429 -12.847) 19.065 9.071 ( 0.063 -0.367 -10.842) 10.848 9.445 ( 6.437 10.101 -2.451) 12.226 9.730 ( -4.278 2.975 -15.188) 16.057 10.313 ( 6.648 -8.459 8.250) 13.558 10.691 ( -18.329 15.921 5.333) 24.857 11.428 ( -5.397 13.282 14.454) 20.358 11.833 ( -1.816 9.004 3.986) 10.013 12.417 ( -1.102 -11.501 9.167) 14.749 13.058 ( -8.839 7.696 -5.699) 13.032 13.480 ( 12.587 -5.697 4.368) 14.490 13.687 ( 1.743 -4.531 5.732) 7.511 14.096 ( -0.704 10.969 2.735) 11.327 15.392 ( 0.600 -3.363 -1.599) 3.772 15.625 ( 0.049 0.616 -11.753) 11.769 16.424 ( 1.130 -0.434 22.104) 22.137 17.959 ( -4.091 -1.374 -6.934) 8.168 18.337 ( -2.459 -0.703 -8.659) 9.029 18.479 ( -0.792 0.770 -6.837) 6.926 19.419 ( 5.123 -1.875 -5.490) 7.739 19.933 ( -0.468 -0.259 26.567) 26.573 23.524 ( -1.280 -1.552 1.652) 2.603 27.098 ( 0.106 -0.883 1.929) 2.124 27.782 ( -7.421 -2.160 2.626) 8.163 28.927 ( 2.512 -1.175 1.014) 2.953 29.797 ( -0.436 -4.290 -2.334) 4.903 29.939 ( -5.687 -17.327 -4.834) 18.866 30.827 ( 12.144 21.257 -7.308) 25.549 ======================= Grid point 110 (37/186) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 0.000 -0.000 22.542) 22.542 5.191 ( 0.000 -0.000 -23.839) 23.839 5.328 ( 0.000 0.000 -26.968) 26.968 5.784 ( -0.000 0.000 3.110) 3.110 5.886 ( 0.000 -0.000 8.469) 8.469 7.161 ( 0.000 -0.000 -17.003) 17.003 8.050 ( -0.000 -0.000 20.673) 20.673 8.297 ( 0.000 -0.000 17.622) 17.622 8.951 ( 0.000 -0.000 13.396) 13.396 9.052 ( -0.000 -0.000 -24.323) 24.323 9.471 ( -0.000 0.000 -1.652) 1.652 9.606 ( 0.000 -0.000 -15.672) 15.672 10.372 ( 0.000 -0.000 9.349) 9.349 10.469 ( -0.000 0.000 -9.307) 9.307 11.318 ( 0.000 -0.000 21.756) 21.756 11.711 ( 0.000 -0.000 3.846) 3.846 12.521 ( 0.000 -0.000 9.485) 9.485 12.909 ( 0.000 -0.000 -7.952) 7.952 13.702 ( 0.000 -0.000 3.336) 3.336 13.711 ( -0.000 -0.000 3.864) 3.864 13.925 ( 0.000 -0.000 5.106) 5.106 15.419 ( 0.000 -0.000 -5.352) 5.352 15.626 ( 0.000 -0.000 -9.052) 9.052 16.436 ( 0.000 -0.000 22.077) 22.077 17.946 ( 0.000 -0.000 -7.996) 7.996 18.334 ( 0.000 -0.000 -7.766) 7.766 18.468 ( 0.000 -0.000 -7.122) 7.122 19.462 ( 0.000 -0.000 -4.634) 4.634 19.934 ( 0.000 -0.000 26.192) 26.192 23.531 ( 0.000 -0.000 1.684) 1.684 27.107 ( 0.000 -0.000 2.339) 2.339 27.763 ( 0.000 -0.000 2.005) 2.005 28.952 ( 0.000 -0.000 0.981) 0.981 29.827 ( 0.000 -0.000 -1.840) 1.840 30.101 ( -0.000 -0.000 -7.233) 7.233 30.667 ( 0.000 0.000 -4.532) 4.532 ======================= Grid point 117 (38/186) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 23.378 0.000 44.703) 50.447 1.598 ( 30.529 0.000 49.349) 58.028 2.651 ( 77.924 0.000 51.612) 93.466 6.882 ( 14.181 0.000 -23.157) 27.154 7.237 ( -8.246 -0.000 -34.516) 35.487 7.600 ( 9.223 0.000 -9.235) 13.052 7.773 ( -3.605 -0.000 -19.911) 20.235 8.760 ( -40.111 -0.000 8.259) 40.952 9.027 ( -44.862 -0.000 28.114) 52.944 9.197 ( -14.250 -0.000 3.427) 14.656 9.778 ( -1.122 -0.000 -19.420) 19.452 10.202 ( -12.671 -0.000 18.111) 22.104 11.240 ( 16.496 0.000 5.341) 17.339 11.325 ( -17.829 -0.000 11.157) 21.032 11.869 ( -6.748 -0.000 -8.226) 10.640 12.025 ( 13.105 0.000 6.036) 14.428 12.363 ( 7.131 0.000 4.053) 8.203 13.064 ( 4.948 0.000 -4.122) 6.440 13.146 ( -1.890 -0.000 9.479) 9.666 13.371 ( 0.877 0.000 6.177) 6.239 14.224 ( 10.870 0.000 -9.934) 14.725 15.740 ( 0.981 0.000 -12.310) 12.349 15.856 ( -27.246 -0.000 26.591) 38.072 16.437 ( 0.516 0.000 20.042) 20.049 17.197 ( -4.779 -0.000 3.553) 5.955 18.517 ( 0.444 0.000 -13.322) 13.330 18.739 ( 2.063 0.000 1.813) 2.747 19.066 ( 13.445 0.000 -13.643) 19.155 20.625 ( -37.853 -0.000 42.713) 57.072 22.969 ( 1.642 0.000 4.530) 4.818 26.767 ( 4.318 0.000 3.443) 5.522 27.470 ( -27.003 -0.000 29.116) 39.710 28.729 ( 0.164 0.000 1.822) 1.829 29.043 ( -4.504 -0.000 0.458) 4.528 29.578 ( 8.236 0.000 -3.508) 8.952 31.951 ( 52.155 0.000 -64.658) 83.071 ======================= Grid point 118 (39/186) ======================= q-point: ( 0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 39.803 -22.755 7.937) 46.530 2.242 ( 32.262 -27.091 31.603) 52.664 3.842 ( 71.467 -37.904 42.151) 91.219 6.698 ( -1.319 21.695 -30.716) 37.628 7.330 ( -7.003 -2.265 -15.486) 17.146 7.505 ( -9.012 0.409 -18.285) 20.390 7.965 ( -0.709 -8.797 -8.339) 12.142 8.290 ( -18.588 10.068 7.414) 22.402 8.533 ( -14.245 19.804 12.646) 27.478 8.817 ( -9.001 8.119 7.723) 14.373 9.716 ( -2.007 2.879 -22.984) 23.250 10.327 ( -16.698 -15.662 14.936) 27.335 10.809 ( -5.726 24.564 11.367) 27.666 11.453 ( 3.769 -0.478 3.486) 5.156 11.625 ( -9.113 6.335 -2.112) 11.298 12.210 ( 3.776 2.576 1.116) 4.705 12.400 ( 8.246 5.451 3.607) 10.522 13.082 ( -0.327 -3.667 0.888) 3.787 13.229 ( -4.716 -6.467 10.223) 12.984 13.452 ( -2.119 -8.390 6.564) 10.861 14.347 ( 9.753 -0.860 -13.818) 16.935 15.396 ( -6.417 16.551 26.411) 31.823 15.738 ( 0.704 1.404 -13.055) 13.149 16.437 ( 0.829 0.840 20.841) 20.874 17.382 ( -14.626 -21.215 -1.126) 25.793 18.499 ( 0.357 2.432 -12.475) 12.715 18.713 ( 3.977 6.274 1.347) 7.549 19.200 ( 11.573 -0.934 -12.872) 17.334 20.164 ( -10.186 12.938 34.350) 38.093 23.179 ( -4.541 -15.487 1.651) 16.224 26.936 ( 2.034 -8.243 -1.220) 8.578 27.410 ( -15.976 -13.852 16.958) 27.105 28.767 ( 0.193 -3.566 1.095) 3.735 29.042 ( -6.825 -6.920 1.008) 9.772 29.678 ( 8.233 -1.473 -2.211) 8.651 32.054 ( 25.901 25.354 -37.102) 51.868 ======================= Grid point 119 (40/186) ======================= q-point: ( 0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 35.192 -38.114 -13.111) 53.508 3.067 ( 25.953 -30.039 17.227) 43.275 5.233 ( 50.525 -42.765 38.146) 76.399 6.176 ( -12.838 29.250 -18.100) 36.715 6.926 ( -20.183 17.858 -10.963) 29.094 7.426 ( -17.689 5.622 -16.716) 24.979 7.777 ( -23.838 14.421 7.412) 28.830 7.866 ( 5.829 4.163 4.433) 8.424 8.745 ( 19.537 -14.719 -8.162) 25.787 8.832 ( 12.451 -7.633 -6.476) 15.976 9.645 ( -1.944 2.788 -22.582) 22.836 10.165 ( -15.445 11.426 9.057) 21.240 10.437 ( 2.324 15.423 10.528) 18.818 11.276 ( -11.247 12.978 2.770) 17.395 11.669 ( -7.897 -15.310 6.502) 18.413 12.063 ( -1.592 9.875 3.866) 10.723 12.298 ( 4.492 15.355 5.313) 16.858 13.123 ( -2.091 -1.900 1.902) 3.406 13.311 ( -6.943 -9.435 5.890) 13.112 13.535 ( -1.593 -3.193 6.056) 7.029 14.403 ( 4.471 4.350 -7.962) 10.115 15.236 ( 0.132 -0.276 14.247) 14.250 15.705 ( 0.084 2.732 -14.188) 14.449 16.432 ( 1.715 0.909 21.750) 21.837 17.582 ( -13.525 -18.418 -2.422) 22.979 18.446 ( 0.826 3.943 -10.830) 11.555 18.621 ( 4.594 8.406 -1.452) 9.689 19.335 ( 8.698 -2.270 -9.445) 13.039 19.970 ( -2.654 3.746 26.913) 27.302 23.352 ( -3.809 -9.387 1.530) 10.246 27.038 ( 0.831 -2.718 0.951) 2.997 27.532 ( -9.640 -13.035 7.262) 17.764 28.836 ( -0.166 -3.649 0.612) 3.704 29.164 ( -8.848 -16.128 0.245) 18.397 29.787 ( 7.776 -1.241 -1.849) 8.088 31.773 ( 16.393 28.963 -19.409) 38.526 ======================= Grid point 120 (41/186) ======================= q-point: ( 0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 1.876 -16.973 16.787) 23.947 3.915 ( 28.536 -38.311 -26.978) 54.862 5.539 ( -3.777 16.283 8.194) 18.616 6.049 ( -9.352 -5.501 15.127) 18.616 6.472 ( -11.662 17.345 -21.868) 30.250 7.201 ( -2.946 4.864 1.330) 5.840 7.496 ( 8.180 -8.841 6.120) 13.510 8.020 ( 7.474 -8.176 7.131) 13.174 8.971 ( 8.273 -5.085 -21.890) 23.947 9.192 ( 11.725 1.879 -4.298) 12.628 9.598 ( 1.346 3.018 -16.125) 16.460 9.841 ( -1.464 8.155 -1.781) 8.475 10.350 ( 11.673 0.675 10.568) 15.761 10.852 ( -12.310 20.288 8.764) 25.297 11.645 ( -7.465 12.119 14.971) 20.657 11.901 ( -8.591 6.956 -1.922) 11.220 12.181 ( 0.694 -8.595 10.190) 13.349 13.043 ( -12.605 3.377 -2.382) 13.265 13.418 ( -0.347 -8.334 1.347) 8.449 13.601 ( -0.657 -5.667 8.452) 10.197 14.261 ( -5.368 10.713 -1.417) 12.066 15.321 ( 1.543 -5.985 4.479) 7.633 15.654 ( -0.009 2.693 -14.821) 15.063 16.443 ( 2.494 0.530 22.247) 22.393 17.757 ( -8.101 -13.675 -3.761) 16.333 18.386 ( 2.293 4.384 -9.435) 10.654 18.535 ( 3.472 5.569 -4.526) 7.972 19.442 ( 4.900 -1.434 -6.426) 8.207 19.924 ( -1.096 0.139 24.988) 25.013 23.448 ( -1.997 -5.280 1.644) 5.880 27.077 ( 0.262 -1.453 2.358) 2.782 27.650 ( -2.323 -7.440 3.252) 8.446 28.883 ( -2.699 -3.354 0.932) 4.405 29.410 ( -8.731 -21.016 -1.953) 22.841 29.873 ( 6.127 -0.440 -1.758) 6.390 31.408 ( 11.215 27.878 -11.484) 32.169 ======================= Grid point 121 (42/186) ======================= q-point: ( 0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -14.099 -0.879 20.646) 25.016 4.780 ( 12.170 -30.672 -28.796) 43.796 5.512 ( -18.338 6.771 0.356) 19.552 5.800 ( 5.300 -10.915 13.167) 17.905 5.965 ( -7.265 28.240 -20.655) 35.734 7.068 ( -9.206 -3.315 -11.293) 14.943 8.070 ( 16.007 -18.129 16.952) 29.534 8.256 ( 16.865 -2.268 12.912) 21.361 8.960 ( -8.608 10.149 1.788) 13.428 9.150 ( 8.360 3.829 -15.859) 18.332 9.524 ( -1.664 0.818 -19.814) 19.901 9.846 ( 17.129 12.606 1.103) 21.297 10.421 ( -4.264 9.769 11.595) 15.750 10.529 ( 11.282 -0.372 -3.768) 11.901 11.376 ( 0.220 7.455 18.499) 19.946 11.704 ( -9.422 4.140 3.233) 10.787 12.387 ( -3.880 -12.328 9.037) 15.771 12.862 ( -8.371 0.473 -5.788) 10.189 13.569 ( -3.241 -8.584 1.477) 9.294 13.674 ( -5.156 -4.248 7.092) 9.743 13.972 ( -9.648 9.781 2.509) 13.965 15.416 ( 1.610 -2.152 -1.904) 3.293 15.625 ( 0.126 0.502 -12.710) 12.720 16.453 ( 1.561 1.051 22.445) 22.524 17.885 ( -2.439 -6.805 -6.180) 9.510 18.358 ( 3.392 1.597 -8.002) 8.836 18.498 ( 2.799 2.380 -6.732) 7.669 19.474 ( 0.173 0.983 -4.678) 4.783 19.927 ( -0.051 -0.787 25.420) 25.432 23.504 ( -0.638 -2.740 1.665) 3.270 27.098 ( -0.116 -0.798 2.432) 2.562 27.757 ( 4.713 -3.674 2.047) 6.317 28.896 ( -5.807 -2.893 1.219) 6.601 29.679 ( -7.335 -16.839 -3.809) 18.758 29.944 ( 3.100 -3.457 -2.323) 5.192 31.034 ( 7.772 25.260 -7.433) 27.454 ======================= Grid point 122 (43/186) ======================= q-point: (-0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 1.249 -17.427 22.196) 28.247 4.696 ( -41.958 7.938 2.799) 42.793 5.110 ( -7.037 40.428 -23.906) 47.491 5.713 ( 7.339 -18.895 -25.816) 32.823 6.442 ( 21.134 -30.669 7.194) 37.933 7.174 ( 2.747 -10.274 -11.811) 15.893 8.044 ( 0.581 36.312 18.586) 40.796 8.371 ( 3.317 -5.085 14.750) 15.950 8.724 ( -17.314 4.428 2.417) 18.034 9.126 ( 3.939 3.784 -21.946) 22.615 9.405 ( 3.470 8.037 4.408) 9.802 9.813 ( 9.924 4.686 -14.393) 18.099 10.471 ( 6.422 7.270 4.812) 10.828 10.649 ( 18.554 -10.183 -0.924) 21.185 11.337 ( 2.390 -1.531 17.360) 17.590 11.654 ( -5.269 -7.874 4.199) 10.363 12.487 ( -4.503 -3.743 9.274) 10.968 12.938 ( 2.259 -11.464 -4.269) 12.440 13.444 ( -17.368 9.370 3.445) 20.033 13.662 ( -7.313 -3.549 3.884) 9.009 13.918 ( -1.854 -7.549 5.307) 9.413 15.438 ( 1.792 1.288 -5.141) 5.594 15.620 ( -0.816 0.224 -10.616) 10.650 16.436 ( -0.002 1.615 22.550) 22.608 17.959 ( 1.066 -2.934 -7.709) 8.317 18.390 ( 3.796 -0.132 -7.242) 8.178 18.507 ( 4.385 0.707 -8.635) 9.710 19.413 ( -4.391 3.236 -4.161) 6.860 19.940 ( 0.451 -0.214 26.447) 26.452 23.536 ( 0.374 -1.068 1.685) 2.030 27.103 ( -0.233 -0.042 1.814) 1.830 27.884 ( 11.244 -1.557 2.109) 11.546 28.864 ( -8.584 -1.940 1.435) 8.917 29.787 ( -3.335 -2.427 -3.260) 5.257 30.093 ( -0.465 -9.591 -5.464) 11.048 30.697 ( 2.367 17.567 -5.062) 18.434 ======================= Grid point 123 (44/186) ======================= q-point: (-0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( -20.969 27.621 17.974) 39.060 4.156 ( -9.743 52.572 -21.692) 57.700 4.782 ( -6.001 -48.316 3.819) 48.836 6.150 ( 4.734 -21.004 -25.715) 33.539 6.833 ( -3.620 56.794 31.010) 64.809 7.239 ( 10.612 -29.071 -3.130) 31.106 7.672 ( 12.287 -7.816 -6.214) 15.833 8.221 ( -9.779 8.914 10.583) 16.944 8.703 ( -2.244 -5.504 -8.725) 10.558 9.052 ( 0.774 6.023 -14.943) 16.130 9.371 ( -3.409 -0.741 -1.252) 3.706 9.798 ( 1.359 5.143 -13.452) 14.466 10.327 ( 7.792 5.953 9.792) 13.858 11.096 ( 19.176 -13.263 4.230) 23.697 11.562 ( 3.886 -14.301 10.543) 18.187 11.802 ( -0.040 -12.581 3.426) 13.040 12.449 ( -0.019 3.971 9.734) 10.513 13.047 ( -15.786 7.492 2.766) 17.691 13.230 ( -3.378 -10.177 0.509) 10.735 13.635 ( -2.309 -1.274 4.810) 5.486 14.043 ( -3.538 -8.159 5.862) 10.651 15.398 ( 1.198 5.526 -1.331) 5.809 15.607 ( -1.782 -0.982 -12.898) 13.057 16.408 ( -0.484 0.891 22.013) 22.036 18.024 ( 2.086 -2.740 -6.649) 7.488 18.419 ( 2.757 0.668 -9.817) 10.218 18.564 ( 8.366 0.552 -9.313) 12.531 19.276 ( -8.102 4.871 -4.889) 10.643 19.941 ( 0.263 0.299 28.277) 28.280 23.552 ( 1.196 0.128 1.583) 1.988 27.096 ( -0.058 0.695 0.820) 1.077 28.048 ( 17.338 -0.494 2.784) 17.567 28.795 ( -10.472 -1.640 1.678) 10.732 29.750 ( -2.870 2.326 -3.689) 5.221 30.111 ( 9.197 14.935 -5.276) 18.316 30.557 ( -13.296 -9.278 -6.435) 17.444 ======================= Grid point 124 (45/186) ======================= q-point: (-0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -18.688 36.736 22.354) 46.888 3.073 ( -8.339 58.034 -15.763) 60.712 5.440 ( -7.379 75.988 37.298) 84.969 5.677 ( 0.244 -41.674 -17.624) 45.248 6.686 ( 1.724 -33.788 -9.684) 35.190 7.703 ( 8.966 -1.534 -3.917) 9.904 7.869 ( -3.567 -6.861 -4.073) 8.740 8.311 ( 11.798 -18.727 3.888) 22.473 8.601 ( -6.255 8.337 -17.149) 20.068 8.854 ( 6.821 16.867 -2.964) 18.434 9.575 ( -6.534 -28.331 3.294) 29.260 9.704 ( -2.212 1.531 -12.452) 12.739 10.511 ( 10.755 -11.133 5.843) 16.546 11.410 ( 6.017 -3.474 6.981) 9.849 11.791 ( -0.981 -14.461 4.047) 15.048 12.037 ( 0.104 -8.389 1.113) 8.463 12.384 ( 13.477 14.321 7.278) 20.969 12.806 ( -15.694 -6.609 9.819) 19.657 13.235 ( -11.181 1.269 -1.303) 11.328 13.727 ( 5.837 -4.053 7.825) 10.570 14.109 ( -3.525 -3.454 7.651) 9.104 15.272 ( -0.153 8.307 3.627) 9.066 15.628 ( -1.364 -3.059 -12.481) 12.922 16.401 ( -0.148 -0.445 20.546) 20.552 18.088 ( 2.436 -1.283 -5.723) 6.351 18.436 ( 1.537 -0.565 -13.039) 13.141 18.645 ( 10.270 1.508 -10.434) 14.718 19.082 ( -10.309 6.068 -5.284) 13.077 19.947 ( 0.029 -1.443 32.044) 32.077 23.556 ( 1.697 1.112 0.839) 2.196 27.077 ( 0.109 1.528 -0.540) 1.624 28.259 ( 21.303 -0.763 3.597) 21.618 28.723 ( -10.670 -3.092 1.829) 11.259 29.655 ( -1.930 5.436 -5.743) 8.139 29.867 ( 9.390 20.839 -2.540) 22.997 30.615 ( -19.061 -12.976 -10.586) 25.372 ======================= Grid point 125 (46/186) ======================= q-point: (-0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.000 53.588 2.625) 53.652 2.021 ( -0.000 38.277 31.739) 49.724 3.945 ( -0.000 83.056 47.257) 95.559 6.270 ( 0.000 -24.302 -37.341) 44.553 7.250 ( 0.000 -15.710 -7.673) 17.483 7.817 ( -0.000 12.824 -7.727) 14.972 7.819 ( 0.000 -18.502 -3.929) 18.915 8.358 ( -0.000 3.054 -10.014) 10.470 8.714 ( 0.000 -17.591 17.888) 25.088 8.980 ( 0.000 -19.433 7.349) 20.776 9.680 ( 0.000 -1.771 -19.723) 19.803 10.105 ( 0.000 -30.297 5.474) 30.787 10.826 ( 0.000 -16.393 1.428) 16.455 11.335 ( -0.000 12.638 13.173) 18.256 12.027 ( -0.000 9.330 -5.566) 10.864 12.059 ( 0.000 -11.084 -1.144) 11.143 12.233 ( -0.000 1.536 4.836) 5.074 12.981 ( 0.000 -14.964 13.395) 20.084 13.070 ( -0.000 8.127 -1.325) 8.234 13.766 ( -0.000 5.020 7.169) 8.752 14.111 ( -0.000 0.289 9.557) 9.561 15.179 ( 0.000 -1.489 16.831) 16.897 15.678 ( 0.000 -2.999 -11.643) 12.023 16.413 ( 0.000 -0.838 19.638) 19.656 18.079 ( -0.000 6.191 -12.048) 13.546 18.475 ( 0.000 -2.586 -13.677) 13.920 18.697 ( -0.000 0.080 -10.994) 10.994 18.894 ( -0.000 5.840 -2.133) 6.217 20.035 ( 0.000 -10.550 40.226) 41.587 23.535 ( -0.000 3.276 -1.904) 3.789 27.037 ( -0.000 3.419 -2.801) 4.419 28.443 ( 0.000 -2.595 4.629) 5.307 28.734 ( 0.000 -6.305 1.381) 6.455 29.532 ( -0.000 8.050 -9.634) 12.555 29.576 ( -0.000 18.299 -1.976) 18.405 30.619 ( 0.000 -2.606 -14.361) 14.595 ======================= Grid point 128 (47/186) ======================= q-point: ( 0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 48.003 0.000 -0.175) 48.003 2.326 ( 37.647 0.000 34.051) 50.762 4.337 ( 80.855 0.000 35.980) 88.499 6.900 ( -31.756 -0.000 -10.113) 33.328 6.971 ( -16.287 -0.000 -27.191) 31.696 7.639 ( 0.975 0.000 -18.450) 18.475 7.854 ( 15.199 0.000 -9.392) 17.867 8.191 ( -8.312 -0.000 0.863) 8.357 8.591 ( -5.280 -0.000 6.683) 8.517 8.899 ( -9.776 -0.000 1.847) 9.949 9.749 ( -1.270 -0.000 -19.934) 19.974 9.821 ( -22.561 -0.000 20.400) 30.416 10.952 ( -17.341 -0.000 8.637) 19.373 11.457 ( 5.068 0.000 4.533) 6.800 11.633 ( -15.529 -0.000 -9.821) 18.375 12.347 ( 14.425 0.000 3.498) 14.843 12.583 ( 14.461 0.000 6.051) 15.676 12.910 ( -17.526 -0.000 13.075) 21.866 13.059 ( -7.134 -0.000 8.262) 10.916 13.421 ( 4.008 0.000 -1.019) 4.135 14.419 ( 6.686 0.000 -15.220) 16.624 15.430 ( -15.569 -0.000 24.253) 28.820 15.760 ( 0.814 0.000 -13.619) 13.643 16.461 ( 1.903 0.000 21.386) 21.470 17.069 ( -7.200 -0.000 4.218) 8.345 18.528 ( 0.569 0.000 -13.188) 13.200 18.818 ( 4.993 0.000 2.645) 5.650 19.311 ( 10.386 0.000 -11.603) 15.572 20.161 ( -12.326 -0.000 27.470) 30.108 23.011 ( 2.279 0.000 3.748) 4.386 26.895 ( 7.985 0.000 3.072) 8.556 27.205 ( -5.586 -0.000 12.550) 13.737 28.731 ( -0.144 -0.000 0.774) 0.787 28.915 ( -7.461 -0.000 2.599) 7.901 29.763 ( 10.253 0.000 -1.906) 10.428 32.450 ( 7.312 0.000 -34.743) 35.504 ======================= Grid point 129 (48/186) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 41.007 -14.928 4.621) 43.884 2.927 ( 36.788 -19.294 5.623) 41.919 5.300 ( 63.641 -18.113 33.751) 74.279 6.300 ( -43.704 13.953 -1.472) 45.901 6.809 ( -19.812 0.696 -19.505) 27.811 7.549 ( 4.348 14.507 -18.898) 24.218 7.785 ( -10.449 12.669 -2.492) 16.610 8.161 ( 2.746 11.476 -1.809) 11.938 8.676 ( 12.212 -13.283 -4.966) 18.714 8.844 ( 17.222 -4.018 -2.065) 17.805 9.656 ( -4.969 0.224 -19.370) 19.998 9.906 ( -18.126 -14.807 12.089) 26.343 10.663 ( -9.234 11.214 9.422) 17.314 11.358 ( -9.860 8.104 -0.764) 12.786 11.501 ( -4.443 0.231 -0.540) 4.481 12.221 ( -3.893 14.639 7.549) 16.925 12.638 ( 10.487 10.596 5.867) 16.021 12.946 ( -9.918 -10.148 3.372) 14.585 13.051 ( -10.552 -10.642 9.450) 17.718 13.469 ( 2.145 -1.352 0.792) 2.656 14.466 ( 0.987 0.648 -12.078) 12.136 15.241 ( -7.353 3.604 19.309) 20.974 15.751 ( 0.516 1.812 -14.357) 14.480 16.475 ( 2.840 0.953 22.041) 22.243 17.146 ( -8.828 -15.405 2.944) 17.998 18.509 ( 0.522 2.498 -12.632) 12.887 18.823 ( 6.263 5.781 2.445) 8.867 19.403 ( 7.779 0.035 -8.869) 11.797 20.010 ( -4.863 4.729 22.126) 23.142 23.139 ( -0.257 -10.055 2.579) 10.384 27.014 ( 4.842 -2.291 2.176) 5.782 27.254 ( -1.809 -10.281 7.988) 13.144 28.756 ( -2.597 -3.287 -0.135) 4.192 28.890 ( -6.315 -6.285 3.577) 9.601 29.872 ( 10.399 0.076 -1.858) 10.564 32.314 ( 3.602 18.265 -22.916) 29.525 ======================= Grid point 130 (49/186) ======================= q-point: ( 0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 11.158 -15.765 17.758) 26.237 3.705 ( 37.500 -24.512 -26.591) 52.097 5.607 ( -31.812 10.841 11.467) 35.511 5.928 ( 1.775 -0.633 22.241) 22.321 6.619 ( -8.192 8.284 -20.366) 23.463 7.320 ( -0.985 12.697 -5.075) 13.709 7.502 ( 10.812 0.287 3.041) 11.235 8.159 ( 22.391 3.568 -0.115) 22.674 8.932 ( 6.957 -8.743 -17.032) 20.370 9.251 ( 8.145 -6.778 -7.853) 13.188 9.641 ( 1.685 -0.862 -16.000) 16.112 9.888 ( -0.458 -1.451 4.190) 4.458 10.465 ( -0.308 3.721 8.664) 9.435 11.095 ( -6.063 14.631 7.034) 17.330 11.498 ( -7.503 -8.225 4.608) 12.049 11.967 ( -8.046 5.340 5.909) 11.322 12.360 ( -1.060 24.362 8.636) 25.869 12.916 ( -13.613 -2.410 -0.117) 13.825 13.203 ( -5.009 -12.510 4.046) 14.070 13.497 ( -2.728 -2.136 4.644) 5.794 14.354 ( -8.507 8.142 -4.261) 12.523 15.221 ( -0.705 -5.329 8.736) 10.258 15.713 ( 0.745 3.058 -15.458) 15.775 16.491 ( 3.710 1.068 22.598) 22.926 17.378 ( -6.669 -18.988 0.738) 20.139 18.464 ( 0.741 3.039 -11.749) 12.159 18.752 ( 7.630 9.866 0.129) 12.473 19.470 ( 3.908 -0.552 -6.297) 7.432 19.921 ( -1.633 1.625 21.187) 21.312 23.302 ( -1.253 -8.826 1.858) 9.106 27.062 ( 1.166 -0.773 3.006) 3.316 27.474 ( 2.769 -12.182 3.501) 12.974 28.762 ( -7.892 -3.849 1.319) 8.879 29.030 ( -3.002 -14.108 0.955) 14.456 29.959 ( 8.551 1.359 -1.817) 8.847 31.963 ( 3.902 24.482 -14.584) 28.762 ======================= Grid point 131 (50/186) ======================= q-point: ( 0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( -19.499 1.002 17.657) 26.324 4.476 ( 22.937 -23.434 -31.885) 45.738 5.349 ( -16.621 -2.901 8.557) 18.918 5.703 ( -6.174 3.625 20.730) 21.932 6.360 ( -3.194 14.285 -27.373) 31.041 6.949 ( -14.857 9.591 -2.954) 17.929 7.920 ( 14.084 -11.033 9.879) 20.437 8.492 ( 36.105 -5.068 6.599) 37.051 9.066 ( -3.959 6.263 -11.608) 13.771 9.249 ( 4.887 -2.734 -7.846) 9.639 9.553 ( -1.999 5.413 -16.073) 17.078 10.095 ( 16.875 -4.408 -1.285) 17.489 10.570 ( 8.426 -0.772 -3.526) 9.167 10.740 ( 3.543 16.050 19.084) 25.187 11.548 ( -2.131 1.162 15.043) 15.238 11.720 ( -7.367 17.669 -1.101) 19.175 12.069 ( -13.382 -9.103 9.827) 18.934 12.784 ( -10.572 1.323 -2.632) 10.975 13.346 ( -8.012 -10.611 2.237) 13.483 13.508 ( -6.646 -4.760 6.838) 10.658 14.050 ( -12.333 11.870 0.593) 17.128 15.348 ( 1.135 -7.053 1.943) 7.403 15.665 ( 0.902 3.135 -16.437) 16.758 16.503 ( 2.944 1.821 23.109) 23.367 17.647 ( -3.013 -16.211 -2.020) 16.612 18.426 ( 1.441 2.263 -10.789) 11.118 18.653 ( 7.242 9.253 -3.075) 12.146 19.490 ( -0.191 0.685 -4.387) 4.444 19.909 ( -0.164 -0.848 22.836) 22.853 23.421 ( -0.785 -5.857 1.641) 6.133 27.082 ( 0.180 -0.818 2.641) 2.770 27.714 ( 7.511 -8.898 1.939) 11.805 28.739 ( -10.834 -4.429 2.151) 11.901 29.291 ( -2.848 -17.940 -1.839) 18.258 29.997 ( 5.491 2.404 -1.703) 6.232 31.558 ( 4.121 25.725 -9.919) 27.878 ======================= Grid point 132 (51/186) ======================= q-point: (-0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -15.659 -15.936 23.311) 32.289 4.572 ( -22.583 14.061 -2.518) 26.721 5.421 ( 13.510 -12.779 -18.769) 26.421 5.807 ( -3.823 20.535 -23.259) 31.261 6.068 ( 4.817 -13.715 4.517) 15.222 6.916 ( -4.225 -16.739 -1.817) 17.359 8.135 ( -0.218 -8.976 4.200) 9.913 8.684 ( 1.850 15.379 5.281) 16.366 8.817 ( 5.455 16.093 8.690) 19.086 9.284 ( 4.838 7.322 -19.693) 21.560 9.542 ( 2.983 2.008 -5.722) 6.758 10.160 ( 11.018 19.562 4.171) 22.836 10.578 ( 20.115 -10.081 8.849) 24.177 10.779 ( 12.346 5.624 -7.482) 15.493 11.383 ( -3.254 4.454 13.224) 14.328 11.523 ( -4.516 2.288 6.131) 7.951 12.173 ( -18.554 -16.229 8.521) 26.082 12.775 ( 1.342 -8.053 -1.439) 8.290 13.404 ( -11.816 -6.789 2.521) 13.859 13.459 ( -11.861 1.800 5.260) 13.099 13.815 ( -4.756 0.519 4.043) 6.264 15.455 ( 1.991 -2.802 -2.176) 4.068 15.624 ( -0.370 1.815 -15.513) 15.623 16.482 ( 1.131 2.861 23.469) 23.669 17.862 ( -0.187 -9.536 -5.355) 10.939 18.419 ( 1.904 0.456 -8.190) 8.421 18.597 ( 5.858 4.289 -7.309) 10.302 19.438 ( -2.942 3.406 -3.268) 5.562 19.932 ( 0.421 -1.174 24.905) 24.936 23.497 ( -0.137 -3.450 1.640) 3.822 27.095 ( -0.108 -0.570 1.926) 2.012 27.946 ( 12.469 -5.928 1.533) 13.891 28.692 ( -13.102 -4.048 2.426) 13.926 29.569 ( -3.150 -15.863 -4.134) 16.693 30.005 ( 2.391 0.311 -1.761) 2.986 31.147 ( 3.467 25.219 -7.306) 26.484 ======================= Grid point 133 (52/186) ======================= q-point: (-0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 0.250 -29.978 20.854) 36.518 4.007 ( -19.493 10.573 9.818) 24.252 5.004 ( -2.776 48.702 -22.724) 53.814 5.846 ( 3.918 -16.751 -29.974) 34.560 6.668 ( 3.457 -38.216 -4.424) 38.627 7.286 ( 5.518 -17.413 5.304) 19.021 8.094 ( 4.638 42.428 15.010) 45.243 8.282 ( -11.382 13.432 -0.411) 17.611 8.493 ( -2.461 -4.475 13.718) 14.638 9.174 ( 1.028 9.318 -21.037) 23.031 9.509 ( 3.318 4.691 -3.180) 6.567 9.974 ( 4.852 11.746 -10.789) 16.671 10.609 ( 5.354 16.077 3.159) 17.237 11.076 ( 18.666 -10.265 7.136) 22.466 11.355 ( -6.776 -8.252 10.340) 14.863 11.643 ( 12.210 -11.390 3.670) 17.096 12.216 ( -21.667 -13.886 9.392) 27.395 13.000 ( 3.414 -6.759 2.290) 7.911 13.201 ( -4.030 9.470 2.633) 10.623 13.460 ( -9.304 -10.342 3.915) 14.452 13.876 ( -1.390 -7.695 6.026) 9.872 15.487 ( 2.465 1.819 -3.489) 4.643 15.588 ( -1.981 0.951 -14.288) 14.456 16.436 ( -0.003 2.617 23.150) 23.297 17.980 ( 0.701 -4.134 -7.371) 8.480 18.437 ( 0.962 -0.270 -6.433) 6.510 18.628 ( 4.986 -1.148 -11.615) 12.692 19.316 ( -3.711 6.265 -2.798) 7.800 19.948 ( 0.252 -0.129 26.931) 26.933 23.543 ( 0.232 -1.780 1.687) 2.463 27.100 ( -0.080 -0.075 1.146) 1.151 28.179 ( 15.365 -4.162 1.483) 15.988 28.615 ( -14.051 -3.237 2.693) 14.668 29.727 ( -1.785 -3.982 -4.714) 6.424 30.089 ( -0.047 -9.323 -3.581) 9.987 30.738 ( 1.210 23.999 -5.696) 24.695 ======================= Grid point 134 (53/186) ======================= q-point: (-0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -0.000 33.353 18.836) 38.304 4.054 ( -0.000 56.091 -20.690) 59.785 4.750 ( 0.000 -56.884 3.875) 57.016 6.200 ( 0.000 -22.403 -25.660) 34.064 6.767 ( -0.000 70.723 32.908) 78.005 7.365 ( 0.000 -34.604 -9.645) 35.923 7.923 ( 0.000 -22.153 7.350) 23.341 7.981 ( -0.000 13.925 -1.734) 14.032 8.695 ( 0.000 -4.620 -11.042) 11.969 9.097 ( 0.000 -9.208 -3.819) 9.968 9.305 ( -0.000 21.416 -6.986) 22.527 9.809 ( -0.000 8.724 -12.499) 15.242 10.456 ( -0.000 0.969 7.212) 7.277 11.398 ( 0.000 -4.972 7.554) 9.043 11.462 ( 0.000 -17.719 6.294) 18.803 11.920 ( 0.000 -7.470 1.935) 7.717 12.379 ( 0.000 -18.614 12.203) 22.257 12.834 ( -0.000 17.507 4.607) 18.103 13.184 ( 0.000 -1.674 -0.509) 1.750 13.619 ( 0.000 -10.437 6.159) 12.119 14.003 ( 0.000 -6.809 7.247) 9.943 15.421 ( -0.000 7.129 -0.647) 7.158 15.577 ( 0.000 -1.422 -14.186) 14.258 16.403 ( -0.000 0.914 21.762) 21.781 18.046 ( 0.000 -3.353 -6.406) 7.230 18.442 ( -0.000 0.187 -9.274) 9.276 18.698 ( 0.000 -2.100 -13.978) 14.134 19.160 ( -0.000 8.181 -2.346) 8.511 19.944 ( -0.000 0.458 29.160) 29.163 23.565 ( 0.000 -0.582 1.537) 1.644 27.095 ( -0.000 0.579 0.361) 0.682 28.359 ( 0.000 -3.034 1.638) 3.448 28.567 ( 0.000 -3.422 2.962) 4.526 29.715 ( -0.000 2.749 -4.692) 5.438 30.299 ( 0.000 -12.908 -6.529) 14.465 30.320 ( -0.000 23.358 -4.434) 23.775 ======================= Grid point 139 (54/186) ======================= q-point: ( 0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 31.571 0.000 25.700) 40.709 3.216 ( 49.087 0.000 -19.955) 52.987 5.773 ( 48.259 0.000 24.577) 54.157 5.861 ( -55.326 -0.000 9.861) 56.198 6.685 ( -3.251 -0.000 -14.193) 14.560 7.739 ( 3.195 0.000 -27.500) 27.685 7.992 ( -16.890 -0.000 3.053) 17.164 8.196 ( 16.581 0.000 -9.513) 19.116 8.566 ( -0.493 -0.000 -3.268) 3.305 9.081 ( 25.390 0.000 -9.121) 26.979 9.421 ( -11.383 -0.000 15.574) 19.290 9.766 ( 5.133 0.000 -16.392) 17.177 10.620 ( -15.198 -0.000 8.861) 17.592 11.271 ( -18.778 -0.000 -10.385) 21.459 11.499 ( 0.156 0.000 4.329) 4.332 12.432 ( -27.822 -0.000 16.778) 32.490 12.517 ( -0.927 -0.000 5.194) 5.276 12.818 ( -3.827 -0.000 1.685) 4.182 12.949 ( 9.708 0.000 9.598) 13.651 13.501 ( 3.360 0.000 -5.651) 6.575 14.469 ( -1.977 -0.000 -9.438) 9.642 15.195 ( -7.160 -0.000 18.839) 20.154 15.769 ( 0.059 0.000 -14.716) 14.716 16.513 ( 3.039 0.000 22.404) 22.609 16.924 ( -6.427 -0.000 5.204) 8.270 18.538 ( 0.416 0.000 -13.099) 13.105 18.932 ( 5.943 0.000 4.510) 7.461 19.468 ( 4.002 0.000 -5.123) 6.500 20.020 ( -2.101 -0.000 15.339) 15.482 23.055 ( 1.857 0.000 2.845) 3.397 27.082 ( 9.775 0.000 2.365) 10.057 27.136 ( -1.883 -0.000 6.527) 6.793 28.678 ( -6.898 -0.000 0.663) 6.930 28.795 ( -2.016 -0.000 4.282) 4.733 29.988 ( 11.100 0.000 -2.054) 11.289 32.469 ( -3.094 -0.000 -20.169) 20.404 ======================= Grid point 140 (55/186) ======================= q-point: ( 0.40 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 16.542 -3.513 20.637) 26.680 3.809 ( 43.201 -11.156 -27.883) 52.614 5.310 ( -41.378 2.093 14.677) 43.954 5.997 ( -2.818 1.518 3.266) 4.573 6.714 ( 3.715 12.959 9.249) 16.349 7.601 ( 1.089 15.419 -15.780) 22.089 7.694 ( 11.798 4.121 -0.288) 12.501 8.430 ( 17.331 -1.870 -7.585) 19.011 8.736 ( -3.866 -16.441 -8.139) 18.748 9.225 ( 8.719 1.207 -3.195) 9.364 9.566 ( 3.627 -8.502 -13.579) 16.427 9.911 ( 19.195 -3.996 -3.341) 19.889 10.454 ( -9.379 0.941 8.454) 12.662 11.095 ( -14.354 -1.614 -5.292) 15.384 11.450 ( -0.712 4.800 5.627) 7.430 11.974 ( -20.676 10.852 13.557) 27.001 12.558 ( -18.071 -7.384 5.280) 20.223 12.746 ( -7.083 6.640 3.954) 10.484 13.060 ( 10.045 -1.372 5.534) 11.550 13.495 ( 0.020 3.078 -2.636) 4.052 14.388 ( -7.235 5.077 -3.943) 9.678 15.144 ( -2.037 -1.393 11.946) 12.199 15.758 ( 0.184 1.298 -15.261) 15.317 16.544 ( 3.561 0.368 22.922) 23.200 17.005 ( -5.104 -14.805 4.349) 16.252 18.518 ( 0.370 2.378 -12.676) 12.902 18.959 ( 6.681 4.317 4.537) 9.158 19.490 ( 0.367 -0.219 -3.299) 3.327 19.969 ( 0.775 4.276 13.536) 14.217 23.145 ( 0.554 -7.410 2.181) 7.744 27.082 ( 1.261 1.576 3.667) 4.185 27.308 ( 6.272 -10.878 2.757) 12.856 28.614 ( -9.147 -2.077 2.796) 9.788 28.843 ( 0.105 -6.366 2.325) 6.778 30.082 ( 9.365 1.625 -2.182) 9.752 32.308 ( -2.641 13.299 -15.325) 20.463 ======================= Grid point 141 (56/186) ======================= q-point: ( 0.50 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -12.518 8.506 16.962) 22.732 4.423 ( 29.574 -13.606 -34.672) 47.559 5.087 ( -12.519 -8.743 12.220) 19.557 5.827 ( -4.540 11.714 17.286) 21.369 6.312 ( -20.367 5.634 -4.770) 21.664 7.215 ( -3.668 25.084 -14.696) 29.303 8.000 ( 20.208 -1.429 7.153) 21.484 8.737 ( 25.453 -6.945 -3.875) 26.666 8.978 ( -5.257 -14.198 -4.700) 15.853 9.249 ( 6.965 1.113 -11.762) 13.714 9.628 ( 2.816 2.688 -12.656) 13.241 10.130 ( 6.677 -3.643 -0.411) 7.617 10.579 ( 15.198 -10.629 1.646) 18.619 10.974 ( -6.845 7.355 4.592) 11.047 11.424 ( 1.152 -5.224 8.480) 10.026 11.692 ( -18.019 -1.986 10.231) 20.816 12.272 ( -4.147 29.157 5.435) 29.948 12.583 ( -19.725 -8.998 2.613) 21.838 13.163 ( 2.304 -1.425 2.969) 4.019 13.415 ( -5.211 1.107 3.120) 6.174 14.144 ( -9.376 11.491 0.532) 14.840 15.220 ( 0.366 -7.307 3.699) 8.198 15.729 ( 0.679 2.566 -16.367) 16.581 16.565 ( 2.980 1.380 23.593) 23.821 17.288 ( -2.567 -20.112 1.864) 20.361 18.476 ( 0.465 2.541 -11.993) 12.268 18.908 ( 6.784 9.361 1.466) 11.653 19.487 ( -1.626 -0.165 -3.095) 3.500 19.915 ( 0.768 2.102 17.145) 17.291 23.289 ( -0.238 -8.043 1.685) 8.221 27.077 ( 0.360 0.022 2.864) 2.887 27.592 ( 7.088 -12.986 1.438) 14.864 28.560 ( -9.831 -2.714 3.886) 10.914 29.013 ( 0.198 -12.331 0.175) 12.334 30.114 ( 5.884 3.686 -2.091) 7.252 31.989 ( -0.337 20.249 -11.469) 23.274 ======================= Grid point 142 (57/186) ======================= q-point: ( 0.60 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -14.464 4.048 22.252) 26.847 4.661 ( -2.112 8.728 -19.960) 21.887 5.314 ( 11.812 -18.639 -0.899) 22.084 5.644 ( -4.366 -0.934 3.729) 5.817 6.283 ( -3.509 -6.261 -13.047) 14.891 6.719 ( -5.928 18.081 -1.454) 19.083 8.082 ( 3.239 1.455 2.291) 4.226 8.887 ( -0.940 10.194 2.163) 10.464 9.041 ( 5.837 -1.480 -7.010) 9.241 9.396 ( 3.282 -1.038 -20.709) 20.993 9.630 ( 7.148 3.247 -0.239) 7.855 10.434 ( 19.261 -13.327 5.637) 24.091 10.667 ( -0.643 10.384 7.817) 13.013 10.933 ( 10.592 -4.986 1.739) 11.835 11.465 ( -7.761 2.070 2.521) 8.418 11.608 ( -13.376 13.088 8.238) 20.447 11.767 ( -0.835 2.178 9.375) 9.661 12.622 ( -5.177 -11.825 2.376) 13.126 13.142 ( -7.911 -2.067 1.806) 8.373 13.400 ( -3.057 -2.450 6.187) 7.323 13.860 ( -4.921 10.000 1.982) 11.320 15.367 ( 0.595 -7.830 -0.290) 7.858 15.680 ( 0.380 3.617 -17.395) 17.772 16.549 ( 1.261 2.928 24.030) 24.241 17.614 ( -0.599 -17.534 -1.320) 17.594 18.446 ( 0.500 1.341 -11.019) 11.112 18.784 ( 4.129 10.136 -3.059) 11.365 19.459 ( -1.686 1.515 -2.556) 3.416 19.914 ( 0.339 -0.895 21.579) 21.601 23.412 ( -0.169 -5.982 1.558) 6.184 27.085 ( 0.048 -0.507 2.174) 2.233 27.896 ( 7.773 -12.358 0.467) 14.607 28.507 ( -9.095 -2.354 4.366) 10.360 29.265 ( -0.319 -15.778 -2.075) 15.917 30.081 ( 2.264 4.402 -1.803) 5.268 31.604 ( 0.838 23.477 -8.955) 25.141 ======================= Grid point 143 (58/186) ======================= q-point: (-0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 0.000 -24.148 24.560) 34.443 4.321 ( -0.000 22.157 4.020) 22.518 5.647 ( 0.000 -8.623 -25.060) 26.502 5.731 ( -0.000 21.563 -24.559) 32.681 6.079 ( 0.000 -16.252 -1.292) 16.304 6.887 ( 0.000 -25.469 8.750) 26.930 8.122 ( 0.000 -5.633 -2.018) 5.984 8.632 ( -0.000 14.775 7.493) 16.566 8.917 ( -0.000 26.165 5.819) 26.804 9.341 ( -0.000 7.328 -21.417) 22.636 9.573 ( -0.000 4.290 -1.012) 4.408 10.280 ( -0.000 18.763 4.651) 19.331 10.895 ( -0.000 12.794 -4.256) 13.484 11.013 ( 0.000 -18.772 6.941) 20.014 11.263 ( -0.000 8.376 10.649) 13.549 11.555 ( 0.000 -11.589 2.420) 11.839 11.796 ( 0.000 -8.573 10.020) 13.187 12.864 ( 0.000 -12.907 3.405) 13.349 13.186 ( 0.000 -10.298 2.359) 10.565 13.345 ( -0.000 7.237 4.787) 8.677 13.767 ( 0.000 -2.355 4.306) 4.908 15.481 ( 0.000 -4.062 -1.574) 4.357 15.616 ( -0.000 3.330 -17.643) 17.954 16.494 ( -0.000 3.650 24.006) 24.282 17.862 ( 0.000 -10.373 -5.068) 11.545 18.438 ( -0.000 0.036 -8.205) 8.205 18.671 ( -0.000 4.278 -8.016) 9.086 19.397 ( -0.000 4.453 -2.365) 5.042 19.937 ( 0.000 -1.185 24.796) 24.825 23.496 ( 0.000 -3.689 1.625) 4.032 27.094 ( 0.000 -0.485 1.602) 1.674 28.151 ( 0.000 -9.801 -0.144) 9.802 28.479 ( 0.000 -1.678 4.499) 4.802 29.540 ( 0.000 -14.651 -4.218) 15.246 30.031 ( -0.000 1.490 -1.661) 2.232 31.182 ( -0.000 24.770 -7.243) 25.807 ======================= Grid point 150 (59/186) ======================= q-point: ( 0.40 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 8.964 0.000 20.891) 22.733 4.159 ( 41.292 0.000 -33.103) 52.923 4.946 ( -27.879 -0.000 18.812) 33.632 5.854 ( -21.012 -0.000 -8.077) 22.511 7.153 ( 26.217 0.000 30.422) 40.160 7.619 ( -16.002 -0.000 5.110) 16.798 7.771 ( 0.523 0.000 -26.618) 26.623 8.414 ( 5.328 0.000 -6.144) 8.133 8.611 ( 5.665 0.000 -6.168) 8.375 9.472 ( 7.410 0.000 -28.882) 29.817 9.505 ( 19.326 0.000 3.054) 19.565 10.144 ( 30.819 0.000 -3.748) 31.047 10.329 ( -12.985 -0.000 7.179) 14.837 10.891 ( -17.911 -0.000 -6.231) 18.964 11.503 ( 1.365 0.000 5.505) 5.672 11.833 ( -27.522 -0.000 16.054) 31.862 12.184 ( -26.326 -0.000 5.770) 26.951 12.810 ( 2.593 0.000 4.653) 5.327 13.172 ( 8.040 0.000 5.956) 10.006 13.554 ( 1.790 0.000 -8.297) 8.488 14.375 ( -5.430 -0.000 -1.185) 5.557 15.121 ( -1.099 -0.000 12.800) 12.847 15.766 ( -0.242 -0.000 -15.278) 15.280 16.578 ( 3.064 0.000 22.818) 23.023 16.814 ( -4.237 -0.000 6.000) 7.345 18.544 ( 0.206 0.000 -13.065) 13.066 19.052 ( 5.382 0.000 7.785) 9.464 19.472 ( -2.492 -0.000 -0.925) 2.658 20.039 ( 2.511 0.000 7.987) 8.372 23.084 ( 0.960 0.000 2.167) 2.370 27.112 ( -0.678 -0.000 4.114) 4.170 27.270 ( 7.692 0.000 1.290) 7.800 28.513 ( -7.260 -0.000 4.383) 8.481 28.790 ( 0.321 0.000 2.311) 2.333 30.189 ( 7.643 0.000 -2.512) 8.045 32.385 ( -3.974 -0.000 -13.989) 14.543 ======================= Grid point 151 (60/186) ======================= q-point: ( 0.50 0.40 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -4.889 9.638 18.687) 21.587 4.572 ( 27.200 -4.196 -39.970) 48.529 4.831 ( -7.234 -7.422 15.461) 18.613 5.703 ( -16.073 -8.403 0.981) 18.164 6.619 ( -6.627 41.415 20.954) 46.885 7.597 ( -0.254 18.232 -22.165) 28.701 8.097 ( 13.786 -22.145 15.953) 30.577 8.538 ( -3.487 -13.541 -3.404) 14.391 8.742 ( 4.034 -8.896 -10.673) 14.468 9.440 ( 6.891 6.858 -23.996) 25.890 9.759 ( 19.244 1.079 -4.922) 19.893 10.123 ( -7.813 3.086 0.484) 8.414 10.551 ( 13.687 -8.479 1.586) 16.179 10.830 ( -7.321 -10.137 -4.341) 13.236 11.450 ( -6.035 5.718 7.396) 11.127 11.571 ( -4.113 3.313 15.416) 16.296 12.063 ( -24.081 -15.133 5.280) 28.927 12.703 ( 0.013 15.522 4.847) 16.261 13.240 ( 5.856 -0.403 5.057) 7.748 13.470 ( -1.845 9.443 -4.589) 10.660 14.253 ( -4.146 8.070 1.372) 9.176 15.130 ( -0.011 -2.643 7.643) 8.087 15.760 ( 0.022 0.644 -15.771) 15.784 16.605 ( 1.904 0.334 23.837) 23.915 16.931 ( -1.999 -15.902 4.471) 16.639 18.524 ( 0.140 2.246 -12.695) 12.893 19.076 ( 3.807 3.246 7.564) 9.069 19.454 ( -2.244 -0.873 -1.722) 2.960 20.004 ( 1.438 5.438 9.460) 11.006 23.154 ( 0.257 -6.444 1.825) 6.702 27.091 ( 0.045 1.113 3.148) 3.339 27.434 ( 4.213 -10.239 0.908) 11.109 28.458 ( -4.755 -0.594 5.321) 7.160 28.850 ( 0.284 -6.448 1.434) 6.612 30.226 ( 3.913 2.675 -2.558) 5.386 32.253 ( -1.795 10.888 -12.077) 16.360 ======================= Grid point 152 (61/186) ======================= q-point: (-0.40 -0.60 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -0.000 15.887 19.433) 25.100 4.764 ( -0.000 0.973 -40.783) 40.795 5.003 ( 0.000 -17.354 9.871) 19.965 5.906 ( 0.000 -20.662 5.955) 21.502 5.921 ( -0.000 29.218 15.973) 33.300 7.180 ( -0.000 27.564 -16.591) 32.171 8.202 ( -0.000 7.390 2.973) 7.966 8.900 ( 0.000 -14.802 10.500) 18.148 8.946 ( 0.000 -9.846 -14.263) 17.332 9.384 ( -0.000 1.364 -27.195) 27.229 9.763 ( -0.000 7.004 2.822) 7.551 10.214 ( 0.000 -16.321 -0.881) 16.344 10.724 ( 0.000 -5.273 10.701) 11.930 10.924 ( 0.000 -0.317 -7.947) 7.953 11.335 ( 0.000 -0.065 4.803) 4.803 11.591 ( 0.000 -3.973 15.064) 15.579 12.256 ( 0.000 -20.097 4.525) 20.600 12.260 ( -0.000 32.654 5.409) 33.099 13.232 ( -0.000 11.910 -0.544) 11.922 13.323 ( 0.000 -3.611 6.001) 7.004 14.040 ( -0.000 12.322 1.878) 12.464 15.225 ( 0.000 -7.639 2.040) 7.906 15.736 ( -0.000 2.280 -16.714) 16.869 16.598 ( -0.000 1.654 24.132) 24.189 17.263 ( 0.000 -20.822 2.055) 20.924 18.481 ( -0.000 2.354 -12.058) 12.286 18.988 ( -0.000 9.122 2.337) 9.417 19.457 ( 0.000 -0.541 -2.131) 2.199 19.928 ( -0.000 2.801 15.706) 15.954 23.287 ( 0.000 -7.769 1.577) 7.928 27.081 ( -0.000 0.096 2.547) 2.549 27.684 ( 0.000 -14.579 0.297) 14.582 28.440 ( 0.000 -0.625 5.490) 5.526 29.017 ( 0.000 -12.006 -0.108) 12.007 30.178 ( -0.000 4.665 -2.253) 5.181 31.981 ( -0.000 18.616 -10.424) 21.336 ======================= Grid point 163 (62/186) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 0.000 0.000 19.934) 19.934 4.717 ( 0.000 0.000 -53.326) 53.326 4.720 ( 0.000 0.000 22.144) 22.144 5.493 ( -0.000 -0.000 7.650) 7.650 7.387 ( 0.000 0.000 35.498) 35.498 7.438 ( 0.000 0.000 5.517) 5.517 7.775 ( 0.000 0.000 -26.077) 26.077 8.521 ( 0.000 0.000 -4.509) 4.509 8.656 ( 0.000 0.000 -8.378) 8.378 9.527 ( 0.000 0.000 -31.146) 31.146 9.982 ( -0.000 -0.000 -3.519) 3.519 10.052 ( 0.000 0.000 3.122) 3.122 10.586 ( 0.000 0.000 -6.767) 6.767 10.627 ( 0.000 0.000 3.348) 3.348 11.503 ( 0.000 0.000 14.079) 14.079 11.644 ( 0.000 0.000 15.858) 15.858 11.683 ( -0.000 -0.000 -1.165) 1.165 12.841 ( 0.000 0.000 5.488) 5.488 13.255 ( 0.000 0.000 5.299) 5.299 13.573 ( 0.000 0.000 -9.366) 9.366 14.310 ( 0.000 0.000 2.050) 2.050 15.114 ( 0.000 0.000 10.689) 10.689 15.763 ( 0.000 0.000 -15.445) 15.445 16.619 ( 0.000 0.000 24.048) 24.048 16.763 ( 0.000 0.000 5.140) 5.140 18.547 ( 0.000 0.000 -13.054) 13.054 19.118 ( 0.000 0.000 10.802) 10.802 19.431 ( 0.000 0.000 -1.985) 1.985 20.072 ( 0.000 0.000 6.403) 6.403 23.094 ( 0.000 0.000 1.920) 1.920 27.105 ( 0.000 0.000 3.436) 3.436 27.358 ( 0.000 0.000 0.565) 0.565 28.430 ( 0.000 0.000 5.798) 5.798 28.794 ( 0.000 0.000 1.875) 1.875 30.272 ( 0.000 0.000 -2.759) 2.759 32.339 ( 0.000 0.000 -12.178) 12.178 ======================= Grid point 210 (63/186) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 0.000 54.523) 54.523 2.440 ( 0.000 0.000 60.375) 60.375 3.414 ( 0.000 0.000 81.058) 81.058 6.043 ( 0.000 0.000 -45.424) 45.424 6.379 ( 0.000 0.000 -54.770) 54.770 7.334 ( 0.000 0.000 -9.783) 9.783 7.404 ( 0.000 0.000 -18.455) 18.455 8.783 ( 0.000 0.000 -38.104) 38.104 9.530 ( 0.000 0.000 -26.907) 26.907 9.629 ( 0.000 0.000 12.395) 12.395 9.795 ( 0.000 0.000 12.029) 12.029 10.641 ( 0.000 0.000 13.981) 13.981 11.107 ( 0.000 0.000 7.450) 7.450 11.736 ( 0.000 0.000 -9.515) 9.515 11.749 ( 0.000 0.000 5.702) 5.702 11.898 ( 0.000 0.000 -7.077) 7.077 12.391 ( 0.000 0.000 7.139) 7.139 12.825 ( 0.000 0.000 0.493) 0.493 13.386 ( 0.000 0.000 3.681) 3.681 13.447 ( 0.000 0.000 18.008) 18.008 14.340 ( 0.000 0.000 14.951) 14.951 15.536 ( 0.000 0.000 -8.048) 8.048 16.365 ( 0.000 0.000 1.983) 1.983 16.835 ( 0.000 0.000 21.518) 21.518 17.341 ( 0.000 0.000 6.062) 6.062 18.159 ( 0.000 0.000 -22.068) 22.068 18.730 ( 0.000 0.000 -4.145) 4.145 18.739 ( 0.000 0.000 -4.487) 4.487 21.630 ( 0.000 0.000 11.036) 11.036 23.054 ( 0.000 0.000 4.884) 4.884 26.835 ( 0.000 0.000 8.314) 8.314 28.758 ( 0.000 0.000 -6.842) 6.842 28.788 ( 0.000 0.000 4.195) 4.195 29.002 ( 0.000 0.000 0.157) 0.157 29.083 ( 0.000 0.000 -0.458) 0.458 30.274 ( 0.000 0.000 -9.372) 9.372 ======================= Grid point 211 (64/186) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 2.312 -6.103 53.434) 53.831 2.519 ( 18.700 -9.742 52.505) 56.581 3.961 ( 18.211 -47.848 68.485) 85.506 5.793 ( 4.154 21.269 -50.087) 54.574 6.655 ( 1.619 -20.425 -47.182) 51.439 7.348 ( -5.643 -0.315 -13.862) 14.970 7.521 ( 11.407 -9.735 -13.799) 20.379 8.690 ( -7.157 7.994 -34.791) 36.408 9.085 ( -15.315 37.297 13.353) 42.473 9.281 ( -15.260 13.735 -6.972) 21.682 9.630 ( -15.109 8.270 5.864) 18.195 10.660 ( 3.820 10.913 7.124) 13.581 11.225 ( -6.879 6.419 12.558) 15.691 11.401 ( 8.811 3.298 6.783) 11.598 11.717 ( -6.064 -2.141 -7.045) 9.539 12.055 ( 2.191 -2.682 -7.602) 8.354 12.388 ( 3.708 2.748 7.131) 8.494 12.940 ( 5.673 -7.103 -0.978) 9.143 13.379 ( 6.305 3.204 7.106) 10.026 13.638 ( -3.244 -16.932 10.518) 20.195 14.339 ( -1.241 -0.926 14.381) 14.464 15.527 ( 0.092 1.318 -8.023) 8.131 15.970 ( -5.252 28.268 16.131) 32.968 16.834 ( 0.639 0.384 21.644) 21.657 17.556 ( -5.390 -18.355 -2.851) 19.341 18.148 ( -0.014 1.459 -22.325) 22.372 18.667 ( -0.136 6.376 -3.270) 7.167 18.798 ( 7.235 -2.469 -5.821) 9.608 21.152 ( -11.208 28.056 30.324) 42.805 23.271 ( -2.691 -15.503 -2.113) 15.876 26.922 ( 1.235 -6.684 4.582) 8.197 28.358 ( -38.399 -1.977 6.682) 39.026 28.821 ( -2.819 -1.897 2.683) 4.329 29.118 ( 1.668 -6.820 -2.395) 7.419 29.373 ( 16.264 -6.997 -6.750) 18.949 30.512 ( 35.284 0.193 -20.288) 40.701 ======================= Grid point 212 (65/186) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 7.282 -19.119 34.609) 40.204 3.124 ( 26.225 -26.125 39.612) 54.216 5.153 ( 18.422 -42.103 24.812) 52.227 5.536 ( 13.425 0.604 -21.953) 25.740 6.973 ( 0.436 -6.498 -34.552) 35.160 7.210 ( -11.068 4.843 -14.341) 18.752 7.807 ( 9.478 3.481 -11.727) 15.475 8.303 ( -6.675 14.832 -1.673) 16.351 8.456 ( -15.166 7.163 -7.321) 18.301 8.881 ( -14.812 13.528 5.292) 20.746 9.365 ( -10.962 3.374 -10.043) 15.245 10.347 ( 7.792 27.363 5.301) 28.940 10.798 ( -9.715 18.188 10.472) 23.126 11.478 ( -9.189 5.112 -1.721) 10.655 11.878 ( 2.668 -17.078 4.121) 17.769 12.088 ( 2.090 -0.883 -2.774) 3.584 12.331 ( -0.836 6.206 7.549) 9.809 13.101 ( 4.363 -3.616 1.413) 5.840 13.436 ( 14.928 1.864 6.927) 16.562 13.792 ( -11.808 -6.920 8.969) 16.364 14.349 ( 0.121 -0.334 11.719) 11.725 15.476 ( -1.195 5.584 -4.339) 7.172 15.549 ( 0.468 12.441 12.072) 17.341 16.837 ( 1.136 0.218 22.364) 22.394 17.756 ( -9.274 -12.527 -6.209) 16.777 18.106 ( -0.774 2.293 -21.912) 22.046 18.536 ( 0.579 7.786 -3.097) 8.399 18.961 ( 9.904 -5.200 -7.061) 13.228 20.720 ( -6.350 10.781 36.212) 38.313 23.441 ( -3.529 -8.145 -1.945) 9.087 27.037 ( 1.482 -4.347 2.792) 5.375 28.093 ( -26.093 -4.346 7.391) 27.466 28.843 ( 1.702 -1.351 2.130) 3.043 29.294 ( -3.990 -14.193 -3.244) 15.096 29.580 ( 6.143 -5.073 -4.918) 9.363 30.772 ( 30.585 10.751 -23.091) 39.803 ======================= Grid point 213 (66/186) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 12.196 -34.971 3.342) 37.187 3.877 ( 22.196 -28.224 31.796) 47.961 5.107 ( 7.613 18.188 -36.267) 41.280 6.353 ( -5.924 14.416 9.866) 18.446 6.713 ( 10.945 -25.893 27.109) 39.053 7.168 ( -13.686 -2.422 -18.124) 22.839 7.598 ( 2.943 14.334 -14.458) 20.571 8.101 ( -12.142 -4.531 -1.805) 13.085 8.531 ( -4.725 -5.040 -8.114) 10.657 8.727 ( 12.237 -6.461 -3.619) 14.304 9.262 ( -4.683 -0.332 -16.914) 17.554 9.939 ( 5.006 25.734 3.086) 26.397 10.473 ( -6.105 8.100 7.320) 12.509 11.212 ( -11.303 9.623 4.315) 15.459 11.964 ( 0.131 10.966 4.898) 12.011 12.091 ( 0.375 9.319 5.288) 10.722 12.337 ( -6.116 -18.732 7.919) 21.237 13.162 ( 1.741 1.624 3.391) 4.144 13.526 ( 6.303 5.582 3.672) 9.186 13.736 ( -3.726 -4.418 12.003) 13.322 14.326 ( 0.410 4.131 8.402) 9.371 15.356 ( -1.109 4.277 -2.481) 5.067 15.478 ( 1.818 1.198 -0.226) 2.189 16.854 ( 1.578 -0.660 23.687) 23.749 17.797 ( -6.187 -1.135 -12.871) 14.325 18.092 ( -2.938 -3.757 -15.245) 15.973 18.423 ( 0.351 5.380 -4.001) 6.714 19.153 ( 8.808 -4.898 -7.373) 12.487 20.577 ( -3.007 1.729 35.655) 35.823 23.514 ( -2.361 -4.087 -0.708) 4.773 27.110 ( 1.624 -2.374 3.361) 4.424 27.943 ( -16.184 -2.755 5.822) 17.419 28.898 ( 2.916 -1.851 1.902) 3.942 29.522 ( -5.260 -16.449 -5.352) 18.080 29.707 ( 2.793 -4.490 -4.139) 6.715 30.777 ( 19.783 16.720 -17.394) 31.200 ======================= Grid point 214 (67/186) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 8.348 -33.187 -15.202) 37.445 4.390 ( 0.968 -11.512 25.298) 27.811 4.993 ( 18.176 10.341 -23.845) 31.716 5.768 ( 6.087 20.933 7.232) 22.968 6.739 ( -36.646 10.142 7.149) 38.690 6.955 ( -7.001 14.163 -14.151) 21.210 7.919 ( 19.153 -20.867 4.413) 28.666 8.321 ( 1.736 -21.311 -8.864) 23.147 8.639 ( 0.661 -9.466 4.602) 10.546 8.871 ( 7.913 1.867 -15.775) 17.747 9.351 ( 3.195 -6.829 -5.590) 9.386 9.577 ( 1.317 14.433 0.250) 14.495 10.346 ( -3.023 3.043 -6.378) 7.686 10.935 ( -10.222 13.885 20.800) 27.017 11.683 ( -1.289 7.039 9.319) 11.750 11.987 ( 0.902 6.459 11.714) 13.407 12.578 ( -2.305 -11.483 6.400) 13.346 12.946 ( -12.579 12.474 -4.639) 18.312 13.590 ( 8.754 -5.954 6.706) 12.532 13.839 ( 4.305 -2.126 8.898) 10.110 14.204 ( -2.608 7.490 9.005) 12.000 15.277 ( -1.136 3.200 -9.579) 10.163 15.512 ( 1.228 -2.158 -0.376) 2.511 16.886 ( 1.358 -0.957 24.923) 24.978 17.718 ( -2.467 3.296 -19.421) 19.852 18.155 ( -3.284 -5.916 -8.244) 10.665 18.350 ( 0.551 3.591 -5.736) 6.789 19.294 ( 5.059 -2.694 -7.305) 9.285 20.553 ( -1.245 -0.579 35.691) 35.718 23.546 ( -1.132 -1.729 -0.072) 2.068 27.157 ( 1.246 -1.194 4.279) 4.614 27.852 ( -8.069 -1.077 4.353) 9.231 28.955 ( 2.086 -1.378 1.871) 3.123 29.721 ( -1.044 -7.551 -5.622) 9.472 29.819 ( -2.781 -9.460 -6.863) 12.014 30.640 ( 11.206 15.246 -11.499) 22.142 ======================= Grid point 215 (68/186) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( 0.000 -0.000 19.127) 19.127 4.690 ( 0.000 -0.000 -25.331) 25.331 4.733 ( -0.000 0.000 -18.387) 18.387 6.012 ( -0.000 0.000 16.128) 16.128 6.116 ( 0.000 -0.000 14.338) 14.338 6.788 ( 0.000 -0.000 -18.365) 18.365 8.173 ( -0.000 -0.000 -22.474) 22.474 8.640 ( 0.000 0.000 -3.573) 3.573 8.652 ( -0.000 -0.000 11.831) 11.831 8.918 ( -0.000 0.000 -15.982) 15.982 9.451 ( 0.000 0.000 -1.474) 1.474 9.525 ( -0.000 -0.000 6.742) 6.742 10.387 ( -0.000 0.000 2.638) 2.638 10.540 ( 0.000 -0.000 9.966) 9.966 11.782 ( -0.000 0.000 25.033) 25.033 11.837 ( 0.000 -0.000 9.366) 9.366 12.681 ( -0.000 -0.000 5.679) 5.679 12.712 ( 0.000 0.000 -11.511) 11.511 13.780 ( 0.000 -0.000 4.152) 4.152 13.824 ( 0.000 -0.000 7.550) 7.550 14.098 ( 0.000 -0.000 12.702) 12.702 15.239 ( 0.000 -0.000 -11.346) 11.346 15.543 ( 0.000 -0.000 -1.051) 1.051 16.904 ( 0.000 -0.000 25.429) 25.429 17.671 ( 0.000 -0.000 -21.220) 21.220 18.199 ( 0.000 -0.000 -5.425) 5.425 18.315 ( 0.000 -0.000 -7.451) 7.451 19.345 ( 0.000 -0.000 -7.268) 7.268 20.554 ( 0.000 -0.000 35.889) 35.889 23.555 ( 0.000 -0.000 0.109) 0.109 27.174 ( 0.000 -0.000 4.719) 4.719 27.819 ( 0.000 -0.000 3.725) 3.725 28.980 ( 0.000 -0.000 1.876) 1.876 29.771 ( 0.000 0.000 -4.114) 4.114 29.918 ( -0.000 -0.000 -10.858) 10.858 30.543 ( 0.000 0.000 -8.102) 8.102 ======================= Grid point 222 (69/186) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 10.152 0.000 51.115) 52.113 2.639 ( 18.402 0.000 55.541) 58.510 3.839 ( 46.110 0.000 66.477) 80.903 6.182 ( 11.785 0.000 -46.358) 47.833 6.350 ( -3.179 -0.000 -52.427) 52.524 7.414 ( 7.819 0.000 -10.320) 12.948 7.457 ( 4.787 0.000 -14.283) 15.064 8.645 ( -15.579 -0.000 -27.576) 31.672 9.110 ( -29.808 -0.000 -10.386) 31.566 9.192 ( -32.789 -0.000 5.983) 33.330 9.664 ( -8.682 -0.000 7.518) 11.485 10.565 ( -8.774 -0.000 16.349) 18.554 11.355 ( 14.398 0.000 5.461) 15.398 11.448 ( -18.929 -0.000 -0.435) 18.934 11.744 ( -7.802 -0.000 -3.639) 8.609 12.025 ( 12.298 0.000 -6.833) 14.069 12.487 ( 9.185 0.000 8.615) 12.593 12.950 ( 7.352 0.000 -5.013) 8.898 13.418 ( -3.089 -0.000 17.181) 17.456 13.479 ( 6.761 0.000 4.864) 8.329 14.305 ( -2.338 -0.000 12.675) 12.888 15.540 ( 0.229 0.000 -8.358) 8.361 16.155 ( -17.111 -0.000 8.598) 19.150 16.844 ( 1.057 0.000 21.406) 21.432 17.298 ( -4.011 -0.000 6.767) 7.866 18.165 ( 0.602 0.000 -21.906) 21.915 18.740 ( 3.216 0.000 -1.944) 3.758 18.872 ( 9.825 0.000 -8.152) 12.767 21.246 ( -28.392 -0.000 25.107) 37.901 23.065 ( 0.992 0.000 4.509) 4.616 26.875 ( 3.849 0.000 7.891) 8.780 27.907 ( -33.429 -0.000 15.145) 36.700 28.781 ( -0.723 -0.000 3.473) 3.548 29.058 ( -2.394 -0.000 1.241) 2.696 29.486 ( 12.771 0.000 -5.798) 14.026 30.993 ( 47.183 0.000 -36.474) 59.638 ======================= Grid point 223 (70/186) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 10.746 -2.887 43.376) 44.780 3.007 ( 24.484 -15.850 44.222) 52.974 4.755 ( 56.290 -35.069 49.549) 82.786 5.907 ( 4.829 21.621 -46.266) 51.297 6.692 ( 0.358 -20.411 -45.289) 49.677 7.280 ( -1.640 11.006 -7.509) 13.424 7.794 ( 11.533 -15.364 -9.460) 21.414 8.365 ( -25.187 6.462 -9.899) 27.824 8.559 ( -21.418 22.979 -2.309) 31.497 8.918 ( -16.578 4.622 0.676) 17.223 9.361 ( -8.075 12.098 -6.305) 15.853 10.610 ( -11.905 -4.979 11.289) 17.145 11.021 ( -12.038 19.390 7.096) 23.901 11.475 ( -3.123 3.253 -2.294) 5.059 11.614 ( -4.018 -5.084 2.959) 7.124 12.166 ( 9.084 1.927 -5.650) 10.869 12.519 ( 9.137 7.984 8.125) 14.603 13.054 ( 3.170 -5.126 -3.139) 6.796 13.465 ( -6.349 -7.153 13.732) 16.735 13.585 ( 2.477 -5.391 6.084) 8.498 14.315 ( 0.195 -2.376 8.581) 8.906 15.525 ( -0.494 1.951 -8.749) 8.978 15.798 ( -10.327 16.032 15.340) 24.474 16.856 ( 1.652 0.368 21.770) 21.836 17.396 ( -8.577 -13.933 2.969) 16.629 18.152 ( 0.421 2.226 -22.127) 22.243 18.716 ( 4.674 7.492 -1.915) 9.036 19.001 ( 11.507 -2.367 -8.459) 14.476 20.826 ( -16.778 12.081 33.098) 39.025 23.212 ( -2.127 -11.997 1.194) 12.242 26.977 ( 4.140 -4.842 5.226) 8.239 27.709 ( -21.400 -7.802 12.678) 26.068 28.798 ( -0.883 -2.779 2.156) 3.627 29.075 ( -3.853 -5.605 2.524) 7.255 29.615 ( 9.676 -1.521 -4.307) 10.700 31.317 ( 32.550 10.783 -35.886) 49.635 ======================= Grid point 224 (71/186) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 19.595 -20.037 14.315) 31.470 3.599 ( 17.455 -23.908 32.607) 44.040 5.531 ( 13.315 17.301 -35.602) 41.762 6.044 ( 33.150 -35.787 33.028) 58.911 6.888 ( -17.433 6.922 -9.537) 21.042 6.956 ( -6.476 5.665 -14.821) 17.138 7.811 ( -5.080 3.327 -4.961) 7.841 7.942 ( -19.190 13.813 4.056) 23.990 8.453 ( 12.191 -5.771 -18.897) 23.217 8.763 ( 1.990 -1.973 -3.264) 4.302 9.219 ( -0.336 -0.124 -16.740) 16.744 10.340 ( -12.708 17.927 6.269) 22.851 10.624 ( -3.724 14.000 5.174) 15.383 11.309 ( -5.492 9.412 1.835) 11.050 11.803 ( -8.987 -19.199 7.005) 22.326 12.136 ( 0.583 5.434 3.984) 6.763 12.404 ( 8.127 14.662 4.584) 17.380 13.155 ( -1.502 -3.324 0.995) 3.781 13.460 ( -13.977 -3.945 8.565) 16.861 13.688 ( 3.148 -4.099 9.318) 10.656 14.357 ( 0.343 -0.342 4.192) 4.220 15.436 ( -2.685 5.880 -4.309) 7.768 15.539 ( -1.845 5.585 7.150) 9.259 16.870 ( 2.512 0.191 22.928) 23.066 17.554 ( -8.806 -13.659 -0.094) 16.252 18.102 ( 0.300 3.314 -22.798) 23.040 18.598 ( 5.306 10.612 -2.157) 12.060 19.172 ( 9.872 -3.711 -7.852) 13.149 20.575 ( -6.910 3.425 34.331) 35.187 23.372 ( -2.710 -8.754 0.006) 9.164 27.085 ( 3.048 -2.920 4.190) 5.947 27.688 ( -12.720 -8.604 7.939) 17.287 28.853 ( -0.718 -3.972 1.151) 4.197 29.179 ( -6.193 -12.138 1.686) 13.731 29.733 ( 8.303 -1.213 -3.762) 9.196 31.312 ( 19.846 18.739 -26.262) 37.877 ======================= Grid point 225 (72/186) ======================= q-point: ( 0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 17.572 -28.073 -11.955) 35.210 4.094 ( -0.461 -19.218 24.846) 31.415 5.381 ( 14.853 13.071 -25.813) 32.523 6.176 ( -8.863 23.855 11.130) 27.776 6.459 ( -30.494 1.956 6.182) 31.176 7.044 ( -6.557 5.089 -5.910) 10.189 7.909 ( 27.124 -18.964 24.710) 41.302 7.947 ( 4.482 -12.610 -15.461) 20.448 8.540 ( 4.056 -1.457 -17.836) 18.350 8.898 ( 0.517 -4.199 -21.083) 21.503 9.388 ( 17.749 -4.600 -6.197) 19.354 9.871 ( -8.101 18.730 2.943) 20.618 10.434 ( 0.315 7.505 -4.704) 8.863 11.101 ( 0.621 9.859 18.006) 20.538 11.872 ( -7.468 12.147 2.035) 14.404 11.993 ( -6.727 -0.429 15.913) 17.282 12.354 ( 3.042 -6.805 6.332) 9.781 13.008 ( -15.001 9.339 -0.410) 17.675 13.475 ( -2.662 -8.851 4.742) 10.388 13.798 ( -0.133 -5.647 10.682) 12.084 14.280 ( -5.887 6.217 4.391) 9.623 15.337 ( -0.433 3.886 -8.321) 9.194 15.483 ( -1.432 -0.581 2.375) 2.834 16.900 ( 3.107 -0.026 24.321) 24.518 17.672 ( -4.801 -6.747 -5.922) 10.181 18.069 ( 0.236 -0.284 -19.974) 19.977 18.477 ( 4.673 8.573 -2.839) 10.168 19.310 ( 5.944 -2.158 -7.401) 9.734 20.517 ( -2.508 -1.232 34.870) 34.981 23.471 ( -1.691 -5.228 0.038) 5.495 27.145 ( 1.304 -1.468 4.645) 5.043 27.731 ( -4.085 -5.868 4.781) 8.601 28.909 ( -2.063 -3.635 1.601) 4.476 29.368 ( -7.501 -16.647 -1.861) 18.353 29.822 ( 6.508 -0.189 -3.615) 7.447 31.112 ( 12.418 21.585 -18.159) 30.820 ======================= Grid point 226 (73/186) ======================= q-point: ( 0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( -0.176 -17.214 -0.125) 17.216 4.348 ( -1.631 -19.278 4.318) 19.823 5.150 ( -0.710 25.177 -29.417) 38.726 5.920 ( -28.168 8.747 11.916) 31.811 6.123 ( 9.643 -5.029 18.722) 21.652 6.813 ( -3.028 4.266 -12.291) 13.358 8.168 ( -2.424 -7.567 -22.989) 24.323 8.459 ( 16.259 -7.236 7.994) 19.510 8.645 ( -0.532 -6.491 -13.058) 14.592 9.057 ( 7.733 0.411 -8.050) 11.170 9.347 ( -0.105 5.354 6.386) 8.334 9.812 ( 20.265 4.229 -4.569) 21.200 10.382 ( 7.862 -2.932 -4.772) 9.653 10.807 ( -2.492 26.656 22.231) 34.799 11.664 ( -3.203 -3.752 8.541) 9.864 11.925 ( -4.889 5.874 21.416) 22.739 12.532 ( -3.692 -10.430 3.494) 11.603 12.736 ( -5.570 2.574 -5.474) 8.223 13.627 ( -3.911 -9.792 4.482) 11.457 13.831 ( -7.334 0.305 7.890) 10.776 14.082 ( -7.913 3.583 9.577) 12.929 15.272 ( 0.545 3.139 -11.872) 12.292 15.511 ( -1.141 -2.804 0.011) 3.027 16.922 ( 2.080 0.905 25.299) 25.401 17.691 ( -0.037 0.625 -15.927) 15.939 18.132 ( 0.572 -5.561 -11.994) 13.233 18.394 ( 3.728 5.827 -4.337) 8.165 19.359 ( 1.115 0.765 -7.047) 7.176 20.536 ( -0.316 -1.852 35.657) 35.706 23.528 ( -0.566 -2.747 0.169) 2.810 27.167 ( -0.402 -0.543 4.674) 4.723 27.813 ( 4.125 -3.484 3.537) 6.455 28.931 ( -4.687 -2.688 2.356) 5.894 29.581 ( -7.552 -14.917 -5.807) 17.699 29.881 ( 4.300 -0.902 -4.104) 6.012 30.835 ( 7.517 20.826 -12.671) 25.510 ======================= Grid point 227 (74/186) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( -2.113 -5.836 13.942) 15.261 4.593 ( -8.583 14.955 -6.685) 18.494 4.658 ( -9.944 1.247 -18.312) 20.875 5.447 ( -16.606 1.318 4.674) 17.302 6.545 ( 3.483 -25.234 0.455) 25.478 6.970 ( 23.240 -8.643 -5.629) 25.426 8.126 ( -5.808 6.751 -20.049) 21.938 8.578 ( -2.056 11.111 7.055) 13.321 8.709 ( -9.214 -3.701 -16.802) 19.516 8.813 ( 4.795 11.861 8.168) 15.179 9.394 ( -1.356 -0.553 -11.325) 11.419 9.722 ( 10.160 24.717 10.840) 28.839 10.414 ( 6.481 6.208 -5.908) 10.745 10.831 ( 22.587 -17.115 15.979) 32.533 11.670 ( -5.339 5.985 14.462) 16.537 11.793 ( -6.876 -8.590 11.173) 15.681 12.656 ( -2.138 -4.835 6.872) 8.670 12.855 ( 10.199 -11.210 -3.097) 15.469 13.540 ( -17.741 6.766 6.353) 20.023 13.765 ( -7.359 -4.625 6.262) 10.713 14.080 ( -1.836 -6.655 11.456) 13.376 15.256 ( 1.347 -0.498 -11.452) 11.542 15.521 ( -1.865 0.360 -1.339) 2.324 16.907 ( 0.216 2.072 25.405) 25.490 17.697 ( 2.119 -0.942 -20.369) 20.501 18.238 ( 2.742 -3.291 -7.631) 8.751 18.344 ( 3.058 3.473 -6.772) 8.202 19.307 ( -3.320 3.677 -6.678) 8.315 20.562 ( 0.708 -0.738 35.957) 35.972 23.560 ( 0.374 -0.963 0.107) 1.039 27.159 ( -1.190 0.438 4.013) 4.208 27.941 ( 11.045 -2.228 3.608) 11.831 28.906 ( -7.311 -1.556 2.866) 8.006 29.685 ( -5.820 -4.209 -7.119) 10.112 29.965 ( 2.778 -3.761 -7.183) 8.571 30.558 ( 1.203 14.655 -9.122) 17.304 ======================= Grid point 228 (75/186) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( -4.774 39.806 -7.359) 40.761 4.099 ( -23.975 24.378 19.376) 39.300 4.738 ( -2.836 -17.860 -9.325) 20.347 5.797 ( 4.566 -38.586 -3.888) 39.049 7.020 ( -0.001 -23.273 -16.115) 28.308 7.352 ( 20.830 5.582 -0.068) 21.565 7.646 ( -6.336 39.793 14.501) 42.824 8.227 ( -6.356 1.950 -7.293) 9.869 8.498 ( -9.944 5.290 -6.631) 13.071 8.935 ( 11.740 2.684 1.349) 12.118 9.315 ( -1.401 6.049 -8.306) 10.370 9.541 ( -3.658 -5.939 -8.398) 10.917 10.474 ( 7.808 -0.345 3.201) 8.445 11.215 ( 16.211 -6.469 9.513) 19.878 11.760 ( 1.934 -11.042 7.752) 13.629 11.893 ( -2.948 -10.977 6.189) 12.942 12.647 ( 3.360 5.038 9.169) 10.988 13.113 ( -1.063 -0.730 3.499) 3.729 13.282 ( -15.605 -4.444 5.656) 17.183 13.775 ( -0.484 -4.218 9.113) 10.053 14.207 ( -0.977 -7.920 10.987) 13.579 15.310 ( 1.801 -3.186 -8.239) 9.015 15.464 ( -3.012 2.492 -1.023) 4.041 16.864 ( -0.875 2.012 24.508) 24.606 17.772 ( 2.290 -4.635 -20.548) 21.189 18.243 ( 3.676 5.483 -7.140) 9.724 18.378 ( 3.554 -2.488 -8.436) 9.486 19.169 ( -6.305 6.023 -6.310) 10.763 20.580 ( 1.180 -0.524 36.043) 36.066 23.570 ( 1.047 0.623 -0.353) 1.268 27.130 ( -1.035 1.403 3.067) 3.527 28.118 ( 16.552 -1.759 4.126) 17.149 28.843 ( -9.099 -1.164 3.238) 9.728 29.636 ( -5.074 2.732 -7.938) 9.809 29.979 ( 9.039 11.203 -7.939) 16.439 30.397 ( -11.711 -3.545 -9.599) 15.551 ======================= Grid point 229 (76/186) ======================= q-point: (-0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -2.164 37.355 13.719) 39.853 3.387 ( -17.935 29.158 33.511) 47.905 5.053 ( 0.056 -18.632 -38.256) 42.552 6.277 ( -6.961 66.339 40.655) 78.116 6.644 ( 2.174 -38.290 1.886) 38.398 7.378 ( 6.716 8.236 -29.429) 31.289 7.559 ( -3.044 -15.593 -21.946) 27.093 8.223 ( 1.795 2.325 -7.513) 8.067 8.497 ( -4.845 -5.177 0.473) 7.107 8.840 ( 13.102 2.379 3.349) 13.731 9.406 ( 7.181 -2.490 -13.231) 15.258 9.733 ( -11.165 -27.663 4.756) 30.208 10.628 ( 5.894 -9.814 6.627) 13.228 11.501 ( 13.513 -5.302 1.992) 14.652 11.843 ( -7.641 -7.622 0.833) 10.824 12.071 ( -1.733 -4.594 2.618) 5.564 12.532 ( 9.280 17.369 7.275) 20.993 13.040 ( -6.946 -7.380 12.422) 16.032 13.225 ( -13.142 -0.605 1.272) 13.217 13.927 ( 7.184 -4.381 11.524) 14.269 14.309 ( -0.566 -4.240 12.543) 13.252 15.375 ( 0.760 -2.529 4.683) 5.376 15.430 ( -2.105 -3.386 -5.529) 6.816 16.830 ( -0.734 0.740 23.113) 23.136 17.881 ( 1.851 -4.012 -17.970) 18.505 18.167 ( 2.766 6.288 -11.536) 13.427 18.461 ( 2.960 -2.913 -7.682) 8.732 18.983 ( -6.112 7.060 -5.540) 10.858 20.626 ( 1.401 -4.113 36.677) 36.933 23.555 ( 1.258 2.656 -1.520) 3.309 27.088 ( -0.530 2.587 2.236) 3.460 28.340 ( 19.265 -2.293 4.187) 19.847 28.774 ( -9.387 -2.343 3.456) 10.274 29.499 ( -3.539 7.500 -9.825) 12.857 29.793 ( 7.106 17.584 -5.232) 19.674 30.377 ( -15.253 -7.530 -12.978) 21.396 ======================= Grid point 230 (77/186) ======================= q-point: (-0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -0.000 16.704 41.995) 45.195 2.771 ( -0.000 28.055 43.112) 51.436 4.961 ( -0.000 70.314 55.636) 89.663 5.402 ( 0.000 -20.452 -49.246) 53.324 6.954 ( -0.000 10.780 -35.230) 36.842 7.386 ( 0.000 -6.472 -19.190) 20.252 7.614 ( -0.000 8.408 -13.608) 15.997 8.452 ( 0.000 -31.161 11.310) 33.150 8.541 ( 0.000 -10.005 -24.405) 26.376 9.127 ( 0.000 -14.426 1.777) 14.536 9.529 ( 0.000 -9.461 1.491) 9.578 10.216 ( 0.000 -29.867 4.767) 30.245 10.916 ( 0.000 -18.959 7.282) 20.309 11.550 ( -0.000 6.218 6.630) 9.089 11.939 ( -0.000 15.627 -2.366) 15.805 11.984 ( 0.000 -7.927 -6.868) 10.489 12.356 ( -0.000 3.266 7.906) 8.554 13.053 ( -0.000 7.529 -0.166) 7.531 13.223 ( 0.000 -9.883 11.544) 15.196 13.927 ( -0.000 9.878 8.653) 13.132 14.348 ( 0.000 -0.710 14.140) 14.157 15.488 ( 0.000 -3.169 -7.837) 8.454 15.542 ( 0.000 -18.238 18.524) 25.995 16.823 ( 0.000 -0.282 22.107) 22.108 17.861 ( -0.000 10.043 -10.205) 14.318 18.122 ( 0.000 -0.583 -21.013) 21.021 18.550 ( 0.000 -5.934 -5.665) 8.204 18.831 ( -0.000 5.631 -4.479) 7.195 20.793 ( 0.000 -15.191 37.040) 40.034 23.485 ( -0.000 6.982 -3.456) 7.791 27.023 ( -0.000 4.705 2.084) 5.146 28.533 ( 0.000 -3.772 3.764) 5.329 28.774 ( 0.000 -5.092 2.829) 5.825 29.310 ( -0.000 11.948 -11.856) 16.832 29.520 ( -0.000 16.534 -3.807) 16.967 30.347 ( 0.000 -0.312 -13.243) 13.247 ======================= Grid point 233 (78/186) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 12.948 0.000 33.803) 36.198 3.131 ( 27.711 0.000 46.136) 53.819 5.117 ( 69.444 0.000 42.518) 81.426 6.246 ( -5.844 -0.000 -42.390) 42.791 6.383 ( 2.396 0.000 -40.496) 40.567 7.475 ( -11.666 -0.000 -0.611) 11.682 7.648 ( 14.594 0.000 -11.236) 18.418 8.189 ( -13.232 -0.000 -4.436) 13.956 8.632 ( -14.789 -0.000 -3.086) 15.107 8.708 ( -14.807 -0.000 -19.829) 24.747 9.491 ( -6.047 -0.000 -1.935) 6.349 10.245 ( -21.786 -0.000 19.941) 29.534 11.061 ( -17.302 -0.000 0.914) 17.326 11.472 ( -16.965 -0.000 -5.642) 17.878 11.528 ( 3.339 0.000 1.519) 3.668 12.340 ( 15.763 0.000 -4.969) 16.528 12.736 ( 13.441 0.000 9.667) 16.556 12.998 ( -4.203 -0.000 -3.449) 5.437 13.305 ( -7.968 -0.000 15.740) 17.642 13.520 ( -3.816 -0.000 10.272) 10.957 14.311 ( 3.440 0.000 3.307) 4.772 15.540 ( -0.360 -0.000 -9.317) 9.324 15.795 ( -16.138 -0.000 14.008) 21.369 16.883 ( 2.652 0.000 21.307) 21.471 17.192 ( -5.759 -0.000 8.648) 10.390 18.180 ( 0.672 0.000 -21.624) 21.634 18.840 ( 6.094 0.000 -1.160) 6.203 19.112 ( 12.584 0.000 -9.284) 15.638 20.739 ( -19.087 -0.000 31.138) 36.522 23.090 ( 1.313 0.000 3.603) 3.835 26.988 ( 7.009 0.000 6.622) 9.642 27.463 ( -13.014 -0.000 12.364) 17.951 28.758 ( -1.494 -0.000 2.149) 2.618 28.991 ( -3.956 -0.000 5.245) 6.570 29.708 ( 10.640 0.000 -3.756) 11.283 31.707 ( 21.789 0.000 -38.654) 44.372 ======================= Grid point 234 (79/186) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 21.663 -8.527 12.120) 26.247 3.498 ( 22.987 -9.188 36.658) 44.234 5.917 ( 5.939 0.471 -14.358) 15.545 5.989 ( 38.077 -0.451 10.173) 39.415 6.564 ( -8.955 -14.133 -9.173) 19.080 7.167 ( -9.077 13.571 -9.412) 18.845 7.728 ( -3.231 5.029 -4.433) 7.442 8.130 ( -5.049 10.740 -2.728) 12.177 8.488 ( 13.068 -6.345 -19.931) 24.664 8.680 ( -6.253 -4.294 -11.145) 13.481 9.312 ( 5.268 8.254 -9.008) 13.305 10.192 ( -24.422 -9.794 12.597) 29.172 10.791 ( -11.423 10.018 1.532) 15.270 11.298 ( -12.515 -1.502 -2.004) 12.763 11.555 ( -1.339 -1.660 3.413) 4.024 12.335 ( 5.054 13.634 3.105) 14.868 12.729 ( 8.202 9.749 3.541) 13.223 13.019 ( -7.196 -6.021 2.028) 9.600 13.255 ( -10.324 -3.819 12.041) 16.314 13.561 ( -4.647 -7.894 8.977) 12.825 14.357 ( 2.407 -0.465 0.882) 2.605 15.491 ( -3.691 4.509 -6.050) 8.400 15.593 ( -7.765 4.587 10.376) 13.748 16.910 ( 3.518 0.313 21.930) 22.213 17.241 ( -6.127 -11.080 7.314) 14.622 18.162 ( 0.461 2.538 -22.097) 22.247 18.842 ( 7.340 7.524 -1.367) 10.600 19.236 ( 10.448 -0.597 -8.389) 13.412 20.542 ( -10.437 2.641 31.786) 33.560 23.189 ( -0.350 -8.458 1.956) 8.688 27.085 ( 5.801 -1.745 5.116) 7.930 27.428 ( -7.575 -7.784 8.891) 14.036 28.768 ( -2.306 -3.067 1.626) 4.167 28.986 ( -4.211 -4.426 6.359) 8.819 29.820 ( 10.323 -0.028 -3.595) 10.931 31.767 ( 12.658 12.075 -31.431) 35.972 ======================= Grid point 235 (80/186) ======================= q-point: ( 0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 21.452 -17.653 -12.340) 30.399 3.840 ( 7.292 -10.112 26.087) 28.912 5.690 ( -0.403 10.849 -11.617) 15.900 6.107 ( -25.624 -1.122 0.891) 25.664 6.555 ( -5.529 22.035 14.102) 26.739 7.077 ( 1.711 2.559 -9.046) 9.556 7.715 ( 12.767 -10.521 7.743) 18.266 8.081 ( 23.354 -3.065 -5.825) 24.264 8.636 ( 8.409 0.991 -12.127) 14.791 8.784 ( -2.039 -5.744 -29.981) 30.594 9.478 ( 20.699 -7.729 -5.446) 22.757 9.979 ( -15.600 6.508 3.175) 17.199 10.554 ( -4.726 6.567 -1.710) 8.270 11.228 ( -4.297 2.154 6.567) 8.138 11.642 ( -4.404 -12.487 10.334) 16.796 12.102 ( -3.709 10.510 8.080) 13.766 12.542 ( 1.886 18.348 7.319) 19.844 12.938 ( -16.294 1.493 3.114) 16.656 13.284 ( -4.122 -8.166 4.627) 10.251 13.638 ( -6.663 -7.055 9.260) 13.414 14.317 ( -5.046 4.888 1.408) 7.165 15.370 ( -3.296 1.885 -0.067) 3.797 15.487 ( -2.512 3.417 -1.705) 4.571 16.947 ( 4.706 0.465 23.733) 24.200 17.419 ( -4.477 -14.276 3.838) 15.446 18.112 ( 0.474 3.200 -23.430) 23.653 18.740 ( 8.007 12.292 -2.267) 14.844 19.339 ( 5.844 -1.191 -7.222) 9.367 20.459 ( -4.038 -1.373 33.184) 33.457 23.333 ( -1.160 -8.175 0.743) 8.291 27.140 ( 1.627 -0.527 4.888) 5.179 27.559 ( -0.377 -10.584 4.792) 11.624 28.800 ( -4.798 -4.032 2.597) 6.784 29.072 ( -3.591 -10.043 3.784) 11.317 29.908 ( 8.392 1.142 -3.478) 9.156 31.588 ( 7.934 18.995 -23.133) 30.966 ======================= Grid point 236 (81/186) ======================= q-point: ( 0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( -1.548 -14.488 -7.311) 16.302 4.047 ( 3.455 -12.503 7.444) 14.956 5.456 ( -10.398 10.251 -7.393) 16.366 5.860 ( -12.361 12.905 -5.819) 18.794 6.168 ( -1.304 6.057 21.468) 22.344 6.859 ( -6.762 6.736 -4.789) 10.679 7.985 ( 1.902 -6.850 -9.804) 12.110 8.488 ( 10.473 -7.198 -15.225) 19.832 8.700 ( 8.712 3.941 -18.323) 20.668 9.024 ( 20.038 -14.351 -1.675) 24.704 9.530 ( -3.440 10.399 4.394) 11.802 10.015 ( 22.531 -6.374 -5.765) 24.114 10.452 ( 3.514 3.300 -8.160) 9.477 11.168 ( 3.055 5.768 22.212) 23.151 11.695 ( -8.031 12.049 3.954) 15.010 11.934 ( 1.110 0.629 18.797) 18.840 12.284 ( -13.458 -3.125 11.851) 18.203 12.723 ( -8.552 4.742 -3.169) 10.280 13.400 ( -6.291 -9.755 3.492) 12.121 13.677 ( -9.464 -6.133 9.472) 14.728 14.094 ( -10.565 8.893 4.495) 14.523 15.342 ( 0.709 2.689 -10.780) 11.133 15.436 ( -2.583 -2.256 0.955) 3.560 16.976 ( 3.880 1.578 25.186) 25.532 17.612 ( -1.356 -9.733 -1.816) 9.993 18.082 ( 0.794 -0.110 -22.736) 22.750 18.601 ( 6.789 11.401 -3.154) 13.639 19.385 ( 1.420 0.486 -6.481) 6.653 20.483 ( -0.833 -3.364 34.811) 34.983 23.446 ( -0.748 -5.726 0.394) 5.788 27.153 ( -0.386 -0.423 4.508) 4.544 27.761 ( 5.893 -8.716 2.721) 10.867 28.803 ( -7.956 -3.675 4.376) 9.795 29.256 ( -3.185 -13.970 -1.194) 14.379 29.949 ( 5.474 2.231 -3.311) 6.776 31.291 ( 5.448 21.780 -17.127) 28.238 ======================= Grid point 237 (82/186) ======================= q-point: (-0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.892 ( -10.965 -17.739 31.561) 37.828 4.291 ( -5.047 -10.699 -22.196) 25.151 5.126 ( 0.716 23.603 -24.027) 33.689 5.457 ( -11.127 14.187 5.092) 18.735 6.183 ( -5.749 -11.210 6.189) 14.037 6.969 ( 14.516 -13.705 6.840) 21.103 8.020 ( -9.542 -2.664 -18.856) 21.300 8.568 ( -2.870 -0.877 -21.754) 21.960 8.766 ( 9.148 1.096 -7.027) 11.587 9.093 ( -1.055 11.730 -1.676) 11.896 9.472 ( 6.137 6.473 -2.027) 9.147 10.237 ( 18.281 11.302 -0.915) 21.512 10.727 ( 18.922 -0.499 9.467) 21.164 10.833 ( 10.724 13.169 14.138) 22.097 11.523 ( -8.114 -7.264 5.580) 12.236 11.813 ( -6.172 11.461 19.092) 23.108 12.357 ( -17.074 -16.680 9.530) 25.701 12.759 ( 9.183 -9.526 0.492) 13.241 13.466 ( -10.308 -5.470 3.811) 12.277 13.583 ( -13.610 2.657 6.844) 15.464 13.944 ( -4.772 -3.655 9.297) 11.071 15.289 ( 0.898 2.817 -13.642) 13.958 15.479 ( -1.592 -3.128 -0.442) 3.537 16.964 ( 1.684 3.105 25.744) 25.985 17.706 ( 1.087 -1.586 -12.762) 12.906 18.154 ( 1.095 -6.316 -15.485) 16.759 18.490 ( 4.759 7.860 -4.389) 10.183 19.349 ( -1.563 3.492 -5.898) 7.030 20.538 ( 0.353 -2.679 35.778) 35.880 23.522 ( -0.113 -3.433 0.312) 3.449 27.151 ( -0.821 -0.073 3.840) 3.927 27.983 ( 10.866 -6.610 2.031) 12.880 28.766 ( -10.473 -2.922 5.272) 12.083 29.468 ( -3.323 -12.748 -5.778) 14.385 29.956 ( 2.722 0.977 -3.289) 4.380 30.946 ( 3.408 22.292 -13.235) 26.148 ======================= Grid point 238 (83/186) ======================= q-point: (-0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( -10.526 -0.832 0.742) 10.585 4.389 ( -3.323 -16.076 32.102) 36.056 4.554 ( -2.095 39.709 -20.862) 44.905 5.332 ( -0.311 -11.811 -15.115) 19.185 6.513 ( -2.019 -28.199 -9.282) 29.756 7.461 ( 20.399 -17.265 6.713) 27.555 7.911 ( -13.845 0.649 -20.484) 24.733 8.525 ( -4.345 3.492 -14.289) 15.337 8.557 ( -0.924 33.945 13.705) 36.619 8.950 ( 4.627 1.192 2.600) 5.439 9.369 ( -1.043 3.164 -13.671) 14.071 9.858 ( 3.132 32.132 4.352) 32.576 10.592 ( 6.973 4.243 -4.666) 9.402 11.290 ( 17.148 -6.190 13.776) 22.851 11.578 ( -10.964 -3.926 11.890) 16.643 11.737 ( 12.210 -10.383 5.802) 17.046 12.445 ( -17.657 -16.038 13.662) 27.489 13.067 ( 7.833 -8.458 4.628) 12.422 13.262 ( -5.772 12.198 3.528) 13.948 13.573 ( -8.391 -12.237 7.535) 16.641 14.043 ( -1.276 -8.948 10.787) 14.073 15.282 ( 0.894 -1.089 -12.693) 12.771 15.482 ( -1.395 1.216 -1.068) 2.137 16.910 ( 0.080 3.602 25.356) 25.611 17.736 ( 1.183 -1.483 -19.200) 19.293 18.275 ( 0.841 -4.485 -9.556) 10.590 18.424 ( 3.192 3.730 -7.521) 8.982 19.237 ( -2.495 6.444 -5.392) 8.765 20.576 ( 0.438 -1.130 36.082) 36.103 23.567 ( 0.233 -1.601 0.104) 1.621 27.139 ( -0.530 0.565 3.129) 3.223 28.214 ( 12.840 -5.427 1.722) 14.046 28.696 ( -11.099 -2.097 5.823) 12.708 29.593 ( -2.461 -4.065 -8.566) 9.796 30.006 ( 1.048 -5.207 -4.749) 7.125 30.579 ( 0.634 21.636 -10.593) 24.098 ======================= Grid point 239 (84/186) ======================= q-point: (-0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( -0.000 22.536 20.396) 30.395 3.765 ( -0.000 45.062 -6.331) 45.505 4.726 ( 0.000 -18.877 -7.126) 20.177 5.854 ( 0.000 -42.798 -4.183) 43.002 7.007 ( 0.000 -21.798 -17.832) 28.163 7.534 ( -0.000 52.487 35.929) 63.606 7.639 ( -0.000 11.643 -33.251) 35.231 8.140 ( 0.000 -20.814 13.923) 25.041 8.382 ( -0.000 10.348 -15.349) 18.511 9.176 ( 0.000 -21.885 6.189) 22.744 9.206 ( -0.000 20.407 -2.789) 20.596 9.494 ( -0.000 6.971 -19.179) 20.406 10.571 ( -0.000 0.076 4.246) 4.247 11.537 ( 0.000 -4.860 6.540) 8.149 11.574 ( 0.000 -10.573 4.522) 11.500 11.982 ( 0.000 -6.288 4.256) 7.593 12.683 ( 0.000 -19.562 18.053) 26.619 12.938 ( -0.000 17.893 5.121) 18.612 13.183 ( 0.000 -0.262 0.817) 0.858 13.790 ( 0.000 -13.408 10.916) 17.289 14.194 ( 0.000 -8.166 11.961) 14.483 15.337 ( 0.000 -4.104 -10.350) 11.134 15.420 ( -0.000 3.997 0.945) 4.107 16.854 ( -0.000 2.453 24.253) 24.377 17.797 ( 0.000 -4.753 -20.458) 21.002 18.277 ( -0.000 3.938 -6.597) 7.683 18.440 ( 0.000 -2.062 -11.272) 11.459 19.090 ( -0.000 8.044 -4.983) 9.463 20.593 ( 0.000 -0.958 36.280) 36.293 23.582 ( -0.000 0.095 -0.488) 0.497 27.119 ( -0.000 1.395 2.527) 2.886 28.395 ( 0.000 -4.737 1.685) 5.028 28.653 ( 0.000 -2.077 5.959) 6.311 29.576 ( -0.000 3.468 -9.372) 9.993 30.151 ( 0.000 -9.015 -8.185) 12.176 30.195 ( -0.000 21.287 -8.361) 22.870 ======================= Grid point 244 (85/186) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 23.360 0.000 -3.720) 23.655 3.696 ( 25.022 0.000 37.774) 45.310 5.933 ( -4.505 -0.000 -15.790) 16.420 6.048 ( -33.102 -0.000 4.272) 33.376 6.675 ( 59.145 0.000 21.892) 63.066 7.175 ( -6.333 -0.000 -23.246) 24.094 7.985 ( 16.950 0.000 -11.483) 20.473 8.087 ( -11.598 -0.000 5.311) 12.756 8.463 ( -3.452 -0.000 -6.281) 7.167 8.610 ( 6.176 0.000 -37.748) 38.250 9.536 ( 13.654 0.000 -6.391) 15.076 9.785 ( -18.939 -0.000 18.130) 26.218 10.719 ( -17.018 -0.000 -0.488) 17.025 11.123 ( -15.531 -0.000 -2.635) 15.753 11.550 ( -0.120 -0.000 -0.359) 0.379 12.575 ( 3.150 0.000 -0.688) 3.225 12.723 ( -22.344 -0.000 10.089) 24.517 12.909 ( 0.001 0.000 7.356) 7.356 13.183 ( 1.695 0.000 14.088) 14.190 13.426 ( -3.183 -0.000 0.775) 3.276 14.385 ( 2.228 0.000 0.401) 2.264 15.524 ( -9.982 -0.000 14.824) 17.871 15.524 ( -1.042 -0.000 -10.715) 10.766 16.933 ( 1.219 0.000 18.097) 18.137 17.096 ( -2.486 -0.000 14.445) 14.657 18.190 ( 0.335 0.000 -21.658) 21.661 18.983 ( 7.703 0.000 -0.275) 7.708 19.339 ( 8.307 0.000 -8.032) 11.555 20.462 ( -8.360 -0.000 29.507) 30.668 23.115 ( 0.996 0.000 2.638) 2.819 27.150 ( 8.257 0.000 4.539) 9.422 27.284 ( -5.570 -0.000 7.807) 9.590 28.714 ( -3.013 -0.000 3.331) 4.492 28.912 ( -3.258 -0.000 7.804) 8.457 29.931 ( 10.685 0.000 -3.786) 11.336 31.967 ( 5.725 0.000 -29.945) 30.487 ======================= Grid point 245 (86/186) ======================= q-point: ( 0.40 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 20.784 -7.877 -22.651) 31.734 3.901 ( 14.450 1.263 31.387) 34.576 5.658 ( -28.659 4.144 17.255) 33.708 5.893 ( -7.587 -3.734 -8.939) 12.305 6.960 ( 5.483 21.711 -1.826) 22.467 7.187 ( 6.098 7.700 -3.515) 10.433 7.821 ( 20.230 0.368 5.256) 20.905 8.250 ( 15.549 -3.480 -10.860) 19.282 8.556 ( -3.106 -9.766 -8.834) 13.530 8.743 ( 6.216 -5.948 -35.238) 36.273 9.564 ( 7.570 1.029 4.028) 8.637 9.871 ( 5.951 -6.540 -0.818) 8.880 10.532 ( -12.592 1.015 -1.933) 12.780 11.044 ( -11.314 -7.481 2.019) 13.713 11.548 ( 0.773 -0.484 2.872) 3.013 12.251 ( -15.963 14.171 13.448) 25.228 12.651 ( -15.244 -5.656 3.501) 16.632 12.870 ( -4.878 6.921 7.768) 11.490 13.187 ( 4.589 1.217 7.532) 8.904 13.472 ( -3.418 -5.309 1.545) 6.501 14.360 ( -2.251 4.094 1.467) 4.897 15.377 ( -5.001 4.372 8.943) 11.141 15.512 ( -1.940 1.314 -7.768) 8.114 16.985 ( 3.308 -2.763 19.750) 20.215 17.150 ( -2.821 -8.962 12.611) 15.726 18.169 ( 0.222 2.514 -22.365) 22.507 19.006 ( 8.329 6.983 -0.741) 10.894 19.389 ( 3.686 0.914 -6.925) 7.898 20.399 ( -3.628 -0.503 30.060) 30.282 23.188 ( 0.131 -6.645 1.701) 6.860 27.167 ( 1.210 2.100 4.805) 5.382 27.379 ( 2.546 -10.272 4.129) 11.360 28.696 ( -4.498 -1.861 5.715) 7.507 28.922 ( -1.865 -4.447 6.195) 7.851 30.023 ( 8.900 1.371 -3.898) 9.812 31.908 ( 2.643 10.582 -24.909) 27.193 ======================= Grid point 246 (87/186) ======================= q-point: ( 0.50 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 0.115 -4.691 -18.089) 18.687 4.001 ( 9.662 -2.502 12.926) 16.331 5.360 ( -17.230 1.232 12.425) 21.278 5.968 ( 3.913 -4.270 -2.912) 6.482 6.395 ( -10.037 29.440 15.919) 34.941 6.944 ( -6.485 11.413 -10.290) 16.680 8.024 ( 10.106 3.578 -8.837) 13.894 8.500 ( 8.863 -3.879 -19.269) 21.561 8.732 ( 0.721 -4.266 -31.063) 31.363 9.026 ( 20.153 -15.150 7.712) 26.366 9.598 ( 3.609 0.789 2.958) 4.732 10.075 ( 13.744 -6.653 -4.270) 15.855 10.509 ( 4.538 -2.580 -8.800) 10.232 11.098 ( -7.173 -7.759 8.019) 13.265 11.638 ( -0.434 -8.265 11.227) 13.948 11.928 ( -11.603 3.628 13.939) 18.496 12.448 ( -5.605 24.434 11.860) 27.732 12.650 ( -13.845 -3.226 4.483) 14.906 13.222 ( -1.262 -1.121 3.157) 3.580 13.501 ( -5.295 -4.309 5.290) 8.636 14.177 ( -6.889 10.474 3.275) 12.957 15.319 ( -1.599 -1.799 4.862) 5.425 15.450 ( -1.105 3.613 -10.947) 11.580 17.044 ( 4.163 0.910 25.099) 25.458 17.355 ( -2.130 -15.800 5.339) 16.813 18.120 ( 0.288 2.865 -23.946) 24.118 18.903 ( 7.110 13.228 -2.695) 15.257 19.400 ( 0.345 0.100 -5.798) 5.809 20.411 ( -0.890 -3.217 32.695) 32.865 23.319 ( -0.353 -7.638 0.852) 7.694 27.149 ( -0.302 0.469 4.246) 4.283 27.624 ( 4.848 -12.526 1.588) 13.525 28.675 ( -6.158 -1.850 8.051) 10.303 29.033 ( -0.725 -9.353 2.363) 9.674 30.057 ( 5.589 3.210 -3.724) 7.444 31.679 ( 1.903 17.265 -19.969) 26.467 ======================= Grid point 247 (88/186) ======================= q-point: ( 0.60 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( -8.760 -6.945 22.422) 25.054 4.158 ( 2.734 -4.672 -20.118) 20.834 5.292 ( -1.467 -2.486 -9.783) 10.200 5.732 ( -3.485 24.463 7.761) 25.900 6.105 ( -3.824 4.943 2.355) 6.679 6.836 ( 2.083 -7.415 11.661) 13.975 7.970 ( -2.134 4.532 -16.409) 17.156 8.598 ( 4.054 2.426 -28.338) 28.729 8.773 ( 0.017 -4.704 -19.364) 19.928 9.215 ( -0.435 3.294 1.121) 3.507 9.651 ( 6.415 4.968 -1.170) 8.197 10.489 ( 19.301 -5.362 -5.080) 20.666 10.665 ( 13.670 -16.434 2.256) 21.495 11.190 ( 3.507 -3.089 18.061) 18.655 11.563 ( -7.980 13.920 9.901) 18.854 11.828 ( -21.898 6.980 11.785) 25.829 12.005 ( 2.809 4.140 15.808) 16.580 12.692 ( 3.143 -9.718 5.003) 11.373 13.194 ( -10.698 -4.528 3.568) 12.153 13.533 ( -3.337 -2.340 6.549) 7.714 13.926 ( -4.530 8.032 5.031) 10.505 15.359 ( 0.972 2.432 -11.464) 11.759 15.391 ( -1.627 -3.216 -1.098) 3.767 17.039 ( 1.754 3.001 26.089) 26.320 17.600 ( -0.178 -11.589 -0.243) 11.593 18.095 ( 0.344 -0.531 -23.913) 23.921 18.719 ( 3.625 12.901 -4.066) 14.004 19.385 ( -0.636 1.662 -5.180) 5.477 20.477 ( 0.040 -4.182 34.847) 35.097 23.437 ( -0.182 -5.913 0.510) 5.937 27.142 ( -0.355 -0.068 3.724) 3.741 27.901 ( 5.456 -12.388 -0.174) 13.537 28.637 ( -6.045 -1.117 9.154) 11.027 29.222 ( -0.561 -12.348 -1.816) 12.493 30.031 ( 2.203 3.936 -3.313) 5.597 31.357 ( 1.351 20.855 -16.263) 26.481 ======================= Grid point 248 (89/186) ======================= q-point: (-0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 0.000 -20.162 36.887) 42.038 4.224 ( 0.000 -3.415 -17.852) 18.176 5.153 ( -0.000 24.079 -31.130) 39.355 5.369 ( -0.000 13.188 3.627) 13.678 6.093 ( 0.000 -13.950 2.967) 14.262 7.165 ( 0.000 -22.876 18.578) 29.469 7.884 ( -0.000 2.995 -23.959) 24.146 8.535 ( -0.000 3.585 -20.479) 20.791 8.858 ( -0.000 0.262 -11.364) 11.367 9.089 ( -0.000 8.933 -1.397) 9.042 9.519 ( -0.000 11.791 -6.773) 13.598 10.447 ( -0.000 20.021 7.025) 21.218 10.829 ( -0.000 27.508 3.582) 27.740 11.173 ( 0.000 -18.392 9.627) 20.759 11.584 ( -0.000 3.755 21.012) 21.345 11.623 ( 0.000 -11.858 4.389) 12.644 12.017 ( 0.000 -10.109 12.221) 15.861 12.965 ( 0.000 -11.502 6.956) 13.441 13.260 ( 0.000 -12.783 5.213) 13.805 13.439 ( -0.000 9.566 4.289) 10.483 13.895 ( 0.000 -5.730 8.654) 10.379 15.300 ( -0.000 2.629 -14.938) 15.168 15.460 ( 0.000 -3.047 -0.242) 3.056 16.982 ( -0.000 4.092 25.972) 26.292 17.719 ( 0.000 -2.424 -11.669) 11.918 18.166 ( 0.000 -6.714 -16.535) 17.846 18.547 ( -0.000 8.367 -5.024) 9.759 19.326 ( -0.000 4.543 -5.087) 6.821 20.543 ( 0.000 -2.911 35.832) 35.950 23.521 ( 0.000 -3.681 0.360) 3.699 27.141 ( -0.000 0.045 3.365) 3.365 28.143 ( 0.000 -10.310 -0.925) 10.351 28.610 ( 0.000 -0.565 9.046) 9.064 29.436 ( 0.000 -11.474 -5.914) 12.909 29.985 ( -0.000 1.719 -3.052) 3.503 30.980 ( -0.000 22.429 -13.422) 26.139 ======================= Grid point 255 (90/186) ======================= q-point: ( 0.40 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 18.872 0.000 -37.190) 41.704 4.042 ( 6.207 0.000 32.672) 33.256 5.433 ( -18.867 -0.000 29.415) 34.946 5.762 ( -8.064 -0.000 -2.500) 8.442 7.151 ( 1.207 0.000 -33.159) 33.181 7.699 ( 31.979 0.000 23.113) 39.457 7.767 ( -15.238 -0.000 9.064) 17.730 8.251 ( 8.353 0.000 -10.024) 13.048 8.481 ( 5.073 0.000 -4.561) 6.822 8.709 ( 1.936 0.000 -47.577) 47.617 9.636 ( 7.266 0.000 7.885) 10.722 10.029 ( 28.668 0.000 -8.228) 29.825 10.366 ( -16.652 -0.000 -3.466) 17.009 10.859 ( -10.139 -0.000 3.844) 10.843 11.559 ( 1.956 0.000 -0.854) 2.134 12.181 ( -26.569 -0.000 18.345) 32.286 12.316 ( -22.888 -0.000 6.389) 23.763 12.956 ( 4.571 0.000 9.996) 10.991 13.297 ( 5.276 0.000 6.433) 8.320 13.391 ( -0.769 -0.000 -6.917) 6.959 14.389 ( -1.253 -0.000 2.686) 2.964 15.387 ( -3.701 -0.000 13.758) 14.247 15.503 ( -0.922 -0.000 -11.984) 12.019 16.920 ( -1.432 -0.000 10.437) 10.535 17.099 ( 1.463 0.000 24.372) 24.416 18.194 ( 0.091 0.000 -22.012) 22.013 19.148 ( 8.064 0.000 0.556) 8.083 19.418 ( -0.576 -0.000 -5.255) 5.286 20.372 ( -1.294 -0.000 26.944) 26.975 23.130 ( 0.479 0.000 1.977) 2.034 27.207 ( -2.223 -0.000 5.211) 5.665 27.304 ( 6.039 0.000 2.016) 6.367 28.641 ( -3.456 -0.000 8.883) 9.531 28.867 ( -1.160 -0.000 6.051) 6.161 30.122 ( 7.162 0.000 -4.310) 8.358 32.012 ( 0.041 0.000 -23.699) 23.699 ======================= Grid point 256 (91/186) ======================= q-point: ( 0.50 0.40 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 5.490 2.538 -36.812) 37.306 4.058 ( 2.458 -0.295 22.854) 22.988 5.263 ( -7.513 3.507 23.857) 25.256 5.813 ( -1.588 -11.170 9.127) 14.512 6.956 ( -2.426 38.301 8.759) 39.365 7.106 ( -4.194 12.723 -19.297) 23.491 8.241 ( 7.802 5.694 -8.816) 13.077 8.456 ( 7.844 -14.195 -10.413) 19.273 8.614 ( 3.790 -16.498 -3.924) 17.377 8.782 ( -2.317 -10.002 -26.826) 28.723 9.758 ( 19.557 2.069 1.858) 19.754 10.087 ( -5.506 3.118 -3.230) 7.104 10.461 ( 9.433 -10.226 -11.375) 17.971 10.855 ( -6.059 -8.913 7.531) 13.148 11.554 ( -3.743 2.778 1.812) 5.001 11.910 ( -4.483 2.915 18.111) 18.884 12.221 ( -22.240 -13.176 10.388) 27.859 12.852 ( 0.830 15.954 10.257) 18.985 13.309 ( 5.513 3.223 0.110) 6.387 13.406 ( -3.439 -1.661 0.178) 3.823 14.302 ( -2.168 7.951 3.764) 9.060 15.317 ( -1.198 3.091 10.850) 11.345 15.485 ( -0.718 1.387 -12.400) 12.498 17.034 ( 1.316 -11.382 10.667) 15.655 17.116 ( -0.716 -1.800 23.457) 23.536 18.171 ( 0.063 2.422 -22.701) 22.829 19.162 ( 5.692 7.682 -0.379) 9.568 19.393 ( -2.021 0.017 -4.792) 5.201 20.369 ( -0.181 -0.786 28.432) 28.443 23.191 ( 0.078 -5.968 1.444) 6.141 27.165 ( -0.434 1.725 4.138) 4.504 27.455 ( 2.843 -10.013 1.030) 10.460 28.614 ( -2.557 -0.272 10.932) 11.230 28.902 ( -0.354 -4.869 4.262) 6.480 30.158 ( 3.650 2.315 -4.332) 6.120 31.925 ( -0.066 9.380 -21.259) 23.236 ======================= Grid point 257 (92/186) ======================= q-point: (-0.40 -0.60 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( -0.000 4.525 -2.794) 5.318 4.119 ( 0.000 -2.988 -5.685) 6.423 5.207 ( 0.000 -2.281 7.691) 8.022 6.036 ( 0.000 -11.221 7.017) 13.235 6.243 ( -0.000 35.227 17.545) 39.354 6.885 ( -0.000 11.039 -9.550) 14.597 8.105 ( -0.000 10.138 -15.174) 18.249 8.635 ( 0.000 -7.296 -15.802) 17.405 8.701 ( -0.000 2.723 -37.494) 37.593 9.133 ( 0.000 -14.810 7.564) 16.630 9.790 ( -0.000 6.733 -1.584) 6.917 10.244 ( 0.000 -23.728 5.882) 24.446 10.630 ( 0.000 -1.942 -16.226) 16.342 11.033 ( 0.000 -13.854 15.154) 20.533 11.438 ( -0.000 1.590 4.754) 5.012 11.927 ( 0.000 -0.012 17.230) 17.230 12.395 ( 0.000 -19.258 10.044) 21.720 12.430 ( -0.000 30.712 12.394) 33.119 13.221 ( -0.000 8.536 -0.380) 8.544 13.443 ( 0.000 -4.742 5.414) 7.197 14.098 ( -0.000 12.351 4.158) 13.032 15.303 ( 0.000 -2.500 6.160) 6.648 15.439 ( -0.000 3.418 -13.992) 14.403 17.092 ( -0.000 1.789 26.442) 26.502 17.330 ( 0.000 -17.229 4.973) 17.933 18.123 ( -0.000 2.709 -24.169) 24.320 18.987 ( -0.000 14.089 -3.114) 14.429 19.392 ( 0.000 -0.327 -4.672) 4.683 20.406 ( 0.000 -3.446 32.387) 32.570 23.316 ( 0.000 -7.464 0.843) 7.511 27.144 ( -0.000 0.517 3.758) 3.793 27.686 ( 0.000 -13.797 -0.261) 13.799 28.601 ( 0.000 -0.059 11.197) 11.197 29.027 ( 0.000 -9.283 1.591) 9.419 30.118 ( -0.000 4.075 -3.895) 5.637 31.695 ( -0.000 16.395 -18.773) 24.925 ======================= Grid point 268 (93/186) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( 0.000 0.000 -52.893) 52.893 4.048 ( 0.000 0.000 33.258) 33.258 5.286 ( 0.000 0.000 33.791) 33.791 5.670 ( 0.000 0.000 9.151) 9.151 7.173 ( 0.000 0.000 -32.502) 32.502 7.586 ( 0.000 0.000 9.301) 9.301 7.941 ( 0.000 0.000 15.417) 15.417 8.454 ( -0.000 -0.000 1.823) 1.823 8.481 ( 0.000 0.000 -8.285) 8.285 8.723 ( 0.000 0.000 -49.831) 49.831 9.931 ( -0.000 -0.000 -0.756) 0.756 10.066 ( 0.000 0.000 -3.092) 3.092 10.399 ( 0.000 0.000 -12.376) 12.376 10.736 ( 0.000 0.000 8.368) 8.368 11.633 ( 0.000 0.000 -4.342) 4.342 11.851 ( 0.000 0.000 20.725) 20.725 11.958 ( -0.000 -0.000 14.132) 14.132 13.010 ( 0.000 0.000 11.803) 11.803 13.352 ( 0.000 0.000 3.730) 3.730 13.384 ( 0.000 0.000 -8.835) 8.835 14.370 ( 0.000 0.000 4.090) 4.090 15.352 ( 0.000 0.000 13.036) 13.036 15.492 ( 0.000 0.000 -12.506) 12.506 16.903 ( 0.000 0.000 8.888) 8.888 17.117 ( 0.000 0.000 26.797) 26.797 18.195 ( 0.000 0.000 -22.216) 22.216 19.269 ( -0.000 -0.000 1.716) 1.716 19.371 ( 0.000 0.000 -4.368) 4.368 20.366 ( 0.000 0.000 25.490) 25.490 23.135 ( 0.000 0.000 1.752) 1.752 27.185 ( 0.000 0.000 4.393) 4.393 27.370 ( 0.000 0.000 0.653) 0.653 28.601 ( 0.000 0.000 11.933) 11.933 28.857 ( 0.000 0.000 4.836) 4.836 30.199 ( 0.000 0.000 -4.605) 4.605 32.007 ( 0.000 0.000 -21.559) 21.559 ======================= Grid point 315 (94/186) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 0.000 0.000 49.257) 49.257 3.560 ( 0.000 0.000 55.145) 55.145 4.808 ( 0.000 0.000 60.240) 60.240 5.064 ( 0.000 0.000 -53.264) 53.264 5.290 ( 0.000 0.000 -55.265) 55.265 7.030 ( 0.000 0.000 -21.487) 21.487 7.159 ( 0.000 0.000 -7.099) 7.099 8.024 ( 0.000 0.000 -38.164) 38.164 9.075 ( 0.000 0.000 -17.699) 17.699 9.848 ( 0.000 0.000 10.797) 10.797 10.104 ( 0.000 0.000 18.292) 18.292 10.789 ( 0.000 0.000 0.944) 0.944 11.234 ( 0.000 0.000 5.532) 5.532 11.591 ( 0.000 0.000 -5.141) 5.141 11.636 ( 0.000 0.000 -19.221) 19.221 11.775 ( 0.000 0.000 -3.107) 3.107 12.553 ( 0.000 0.000 9.138) 9.138 12.843 ( 0.000 0.000 1.412) 1.412 13.489 ( 0.000 0.000 7.026) 7.026 13.781 ( 0.000 0.000 14.987) 14.987 14.633 ( 0.000 0.000 14.768) 14.768 15.412 ( 0.000 0.000 -5.168) 5.168 16.409 ( 0.000 0.000 2.654) 2.654 17.249 ( 0.000 0.000 21.049) 21.049 17.443 ( 0.000 0.000 -0.160) 0.160 17.736 ( 0.000 0.000 -16.026) 16.026 18.624 ( 0.000 0.000 -7.447) 7.447 18.627 ( 0.000 0.000 -6.620) 6.620 21.887 ( 0.000 0.000 15.317) 15.317 23.107 ( 0.000 0.000 -0.076) 0.076 27.048 ( 0.000 0.000 13.733) 13.733 28.592 ( 0.000 0.000 -10.292) 10.292 28.891 ( 0.000 0.000 6.473) 6.473 29.007 ( 0.000 0.000 0.331) 0.331 29.073 ( 0.000 0.000 -0.659) 0.659 30.057 ( 0.000 0.000 -12.886) 12.886 ======================= Grid point 316 (95/186) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 3.520 -8.300 47.350) 48.201 3.539 ( 9.912 2.324 51.245) 52.246 4.767 ( 2.577 19.597 -47.871) 51.791 5.190 ( 9.499 -33.696 44.263) 56.435 5.661 ( 6.699 -24.144 -47.822) 53.989 7.062 ( 0.414 -1.370 -17.311) 17.370 7.274 ( 7.824 -8.560 -11.441) 16.290 8.004 ( -2.855 -0.424 -33.001) 33.127 8.976 ( -11.294 4.373 -13.328) 18.009 9.387 ( -9.520 34.610 13.471) 38.340 9.887 ( -20.868 11.758 17.390) 29.599 10.716 ( 4.266 15.570 -1.988) 16.266 11.336 ( -6.419 17.371 -3.821) 18.909 11.417 ( 1.908 -7.993 -2.360) 8.550 11.648 ( 0.012 -8.809 -1.004) 8.866 11.869 ( 3.028 -4.180 -10.511) 11.710 12.552 ( 4.549 2.866 9.388) 10.819 12.941 ( 2.956 -7.250 1.027) 7.897 13.515 ( 5.259 0.255 7.797) 9.408 13.872 ( -3.280 -10.002 11.653) 15.704 14.628 ( -1.663 -0.547 14.710) 14.813 15.404 ( -0.157 0.994 -4.983) 5.084 16.196 ( -5.125 17.757 8.490) 20.339 17.242 ( -1.132 -0.291 19.061) 19.097 17.521 ( 0.158 -5.386 -7.407) 9.159 17.742 ( -1.061 -1.727 -11.495) 11.672 18.570 ( 1.146 6.160 -6.654) 9.140 18.677 ( 5.157 -2.711 -7.049) 9.145 21.669 ( -7.285 14.488 24.430) 29.322 23.222 ( -0.829 -10.009 -3.888) 10.770 27.083 ( 1.148 -2.768 11.712) 12.089 28.400 ( -26.884 -1.626 -2.336) 27.034 28.887 ( -1.934 0.043 4.053) 4.491 29.083 ( 9.548 -2.684 -0.386) 9.925 29.261 ( 10.291 -7.961 -4.919) 13.910 30.170 ( 17.800 -0.800 -16.335) 24.173 ======================= Grid point 317 (96/186) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -2.412 -0.958 42.540) 42.620 3.916 ( 22.111 -18.767 40.475) 49.792 4.502 ( 5.901 14.468 -43.621) 46.335 5.895 ( 1.362 -27.353 -26.382) 38.027 6.331 ( 23.470 -39.116 10.182) 46.739 7.057 ( -3.649 0.573 -6.636) 7.595 7.462 ( 9.086 3.975 -22.379) 24.478 8.089 ( -0.702 -13.544 -11.137) 17.548 8.518 ( -17.348 25.701 6.859) 31.757 8.893 ( -5.755 10.148 -0.799) 11.693 9.387 ( -24.088 14.555 11.952) 30.576 10.369 ( 6.276 27.171 -3.289) 28.079 10.883 ( -12.662 19.050 -3.299) 23.110 11.414 ( -8.191 2.016 -4.427) 9.526 11.909 ( 9.226 -7.630 -1.859) 12.116 12.054 ( 4.104 -13.543 0.021) 14.152 12.502 ( -1.467 5.595 10.026) 11.575 13.112 ( 4.006 -7.234 -0.005) 8.269 13.570 ( 9.180 2.326 7.720) 12.218 13.984 ( -8.273 -7.658 9.523) 14.758 14.610 ( -2.358 0.886 14.054) 14.278 15.361 ( -1.370 3.394 -4.735) 5.984 15.812 ( -3.232 17.651 12.012) 21.594 17.245 ( -0.545 -1.153 16.071) 16.122 17.534 ( 1.039 5.040 -18.502) 19.204 17.808 ( -5.477 -9.508 -2.711) 11.303 18.456 ( 1.666 7.727 -5.196) 9.460 18.821 ( 8.562 -4.994 -7.856) 12.647 21.390 ( -6.012 7.629 32.935) 34.337 23.367 ( -1.775 -7.517 -6.029) 9.798 27.150 ( 1.871 -2.779 8.950) 9.557 28.187 ( -22.162 -2.880 1.723) 22.414 28.890 ( 0.630 -1.221 2.603) 2.944 29.248 ( 3.095 -8.404 -0.678) 8.981 29.468 ( 6.061 -5.885 -6.468) 10.640 30.362 ( 21.647 4.113 -19.402) 29.359 ======================= Grid point 318 (97/186) ======================= q-point: ( 0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -0.152 -12.997 23.357) 26.730 4.343 ( 13.013 6.793 -23.914) 28.059 4.565 ( 16.618 -22.296 22.424) 35.723 6.146 ( -0.400 -0.512 -29.616) 29.623 6.835 ( -6.714 6.907 -8.751) 13.014 7.160 ( 6.781 13.734 -8.789) 17.659 7.470 ( 7.141 -29.270 17.644) 34.915 8.009 ( -7.469 2.990 -4.803) 9.370 8.532 ( -6.843 -20.554 -3.093) 21.882 8.658 ( -1.401 8.909 4.414) 10.041 9.088 ( -0.966 -1.805 3.366) 3.939 9.942 ( 5.719 27.083 -3.322) 27.879 10.441 ( -16.946 13.434 -9.537) 23.634 11.348 ( 0.274 -2.435 6.412) 6.864 12.042 ( 3.293 3.148 4.048) 6.094 12.186 ( 3.719 9.778 5.649) 11.889 12.462 ( -7.964 -15.044 4.865) 17.703 13.210 ( -1.411 1.519 0.848) 2.240 13.621 ( 7.178 1.045 6.732) 9.896 13.970 ( -4.871 -1.085 10.910) 11.997 14.541 ( -2.677 3.692 12.977) 13.754 15.248 ( -3.721 6.099 -5.136) 8.799 15.579 ( 1.269 7.371 6.860) 10.149 17.264 ( -0.446 -0.576 4.344) 4.404 17.416 ( 1.179 7.453 -10.274) 12.747 17.933 ( -5.762 -10.652 -2.252) 12.319 18.347 ( 1.535 6.363 -4.019) 7.681 19.000 ( 8.115 -4.775 -8.743) 12.849 21.275 ( -3.107 0.962 35.736) 35.883 23.454 ( -1.477 -4.387 -5.937) 7.528 27.215 ( 2.290 -2.115 7.670) 8.279 28.038 ( -15.376 -1.853 3.266) 15.828 28.936 ( 1.737 -2.353 1.952) 3.517 29.434 ( 0.114 -10.406 -2.911) 10.806 29.603 ( 2.882 -4.360 -6.537) 8.370 30.438 ( 16.433 9.203 -17.112) 25.447 ======================= Grid point 319 (98/186) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 0.615 -19.675 1.143) 19.718 4.344 ( 9.853 6.544 -23.874) 26.643 5.061 ( 3.707 -13.513 26.416) 29.902 6.023 ( 16.643 10.870 10.645) 22.549 6.586 ( -17.079 4.581 -10.446) 20.537 6.861 ( -2.063 17.362 -9.737) 20.013 7.653 ( -14.372 0.693 -8.164) 16.543 8.218 ( 5.371 -17.459 -14.614) 23.393 8.562 ( -5.039 -0.762 -10.345) 11.532 8.826 ( 9.504 -11.543 4.885) 15.730 9.302 ( 9.311 3.735 -0.307) 10.037 9.687 ( -0.292 -1.787 11.263) 11.408 10.138 ( -3.200 -1.628 -11.189) 11.751 11.414 ( -5.013 12.305 26.286) 29.453 11.795 ( 1.937 -0.056 2.663) 3.294 12.194 ( 6.572 0.837 8.623) 10.874 12.661 ( -2.376 -10.069 1.435) 10.444 12.922 ( -17.574 17.270 3.215) 24.848 13.729 ( 6.319 -5.390 7.398) 11.123 13.990 ( 3.520 0.127 6.334) 7.247 14.436 ( -2.649 4.231 13.950) 14.816 15.104 ( -3.443 5.028 -7.442) 9.619 15.534 ( 1.517 0.920 1.807) 2.533 17.201 ( -1.202 5.111 -28.845) 29.319 17.376 ( 1.749 -0.196 21.640) 21.711 18.055 ( -4.122 -8.643 -2.499) 9.897 18.260 ( 1.529 5.432 -3.742) 6.771 19.135 ( 4.707 -2.663 -9.347) 10.799 21.261 ( -1.134 -0.964 36.607) 36.638 23.498 ( -0.781 -1.992 -5.455) 5.859 27.269 ( 1.868 -1.306 7.410) 7.752 27.936 ( -8.262 -0.586 3.804) 9.114 28.993 ( 1.444 -1.808 1.837) 2.955 29.598 ( -0.408 -7.583 -6.011) 9.686 29.686 ( 0.214 -3.404 -6.904) 7.701 30.402 ( 9.270 8.789 -12.758) 18.054 ======================= Grid point 320 (99/186) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.029 ( 0.000 -0.000 -14.648) 14.648 4.278 ( 0.000 0.000 -16.013) 16.013 5.120 ( 0.000 -0.000 32.768) 32.768 6.291 ( -0.000 0.000 9.177) 9.177 6.317 ( 0.000 -0.000 -2.460) 2.460 6.584 ( 0.000 -0.000 4.404) 4.404 7.569 ( 0.000 -0.000 -26.549) 26.549 8.380 ( -0.000 -0.000 -24.776) 24.776 8.650 ( -0.000 0.000 -1.972) 1.972 8.861 ( 0.000 -0.000 -1.438) 1.438 9.369 ( 0.000 -0.000 -7.518) 7.518 9.553 ( -0.000 0.000 -6.563) 6.563 10.598 ( -0.000 0.000 18.060) 18.060 10.860 ( 0.000 -0.000 23.664) 23.664 12.066 ( 0.000 0.000 13.439) 13.439 12.231 ( 0.000 -0.000 19.252) 19.252 12.495 ( -0.000 -0.000 -9.984) 9.984 12.746 ( 0.000 -0.000 2.663) 2.663 13.856 ( 0.000 -0.000 3.764) 3.764 13.978 ( 0.000 -0.000 7.595) 7.595 14.381 ( 0.000 -0.000 15.370) 15.370 15.035 ( 0.000 -0.000 -9.163) 9.163 15.539 ( 0.000 -0.000 0.214) 0.214 17.141 ( 0.000 -0.000 -32.310) 32.310 17.393 ( 0.000 -0.000 24.647) 24.647 18.131 ( 0.000 -0.000 -1.619) 1.619 18.199 ( 0.000 -0.000 -4.717) 4.717 19.183 ( 0.000 -0.000 -9.553) 9.553 21.266 ( 0.000 -0.000 36.838) 36.838 23.511 ( 0.000 -0.000 -5.237) 5.237 27.291 ( 0.000 -0.000 7.450) 7.450 27.897 ( 0.000 -0.000 3.882) 3.882 29.018 ( 0.000 -0.000 1.881) 1.881 29.664 ( 0.000 0.000 -7.024) 7.024 29.724 ( -0.000 -0.000 -8.045) 8.045 30.363 ( 0.000 -0.000 -10.265) 10.265 ======================= Grid point 327 (100/186) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 6.112 0.000 44.568) 44.985 3.682 ( 11.646 0.000 50.974) 52.288 4.965 ( 18.002 0.000 28.573) 33.771 5.214 ( 13.358 0.000 -50.763) 52.491 5.399 ( 11.945 0.000 -26.070) 28.676 7.144 ( 10.819 0.000 -19.404) 22.216 7.231 ( 7.121 0.000 -7.653) 10.454 7.963 ( -5.956 -0.000 -36.961) 37.438 8.868 ( -16.359 -0.000 -10.169) 19.262 9.411 ( -38.048 -0.000 13.531) 40.382 9.898 ( -13.851 -0.000 15.277) 20.621 10.752 ( -5.526 -0.000 1.993) 5.875 11.368 ( -17.688 -0.000 -5.418) 18.499 11.419 ( 8.261 0.000 0.174) 8.263 11.688 ( -9.387 -0.000 -3.459) 10.004 11.788 ( 15.520 0.000 -16.083) 22.350 12.676 ( 11.064 0.000 10.253) 15.084 12.908 ( 3.829 0.000 0.428) 3.853 13.583 ( 8.004 0.000 6.250) 10.155 13.738 ( -4.281 -0.000 14.494) 15.113 14.585 ( -4.527 -0.000 14.856) 15.531 15.410 ( -0.297 -0.000 -5.398) 5.407 16.275 ( -11.646 -0.000 4.851) 12.616 17.216 ( -2.140 -0.000 12.932) 13.107 17.451 ( -0.289 -0.000 9.148) 9.153 17.748 ( 1.382 0.000 -16.593) 16.651 18.654 ( 3.332 0.000 -7.209) 7.942 18.723 ( 8.481 0.000 -7.468) 11.300 21.689 ( -16.553 -0.000 21.875) 27.432 23.111 ( 0.365 0.000 -0.424) 0.560 27.075 ( 2.552 0.000 12.712) 12.966 28.079 ( -27.181 -0.000 3.516) 27.408 28.860 ( -2.279 -0.000 4.641) 5.171 29.097 ( 1.725 0.000 3.051) 3.505 29.363 ( 15.128 0.000 -6.706) 16.548 30.426 ( 30.170 0.000 -24.315) 38.748 ======================= Grid point 328 (101/186) ======================= q-point: ( 0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( -4.397 1.174 41.372) 41.622 3.861 ( 16.401 -6.512 40.973) 44.611 4.966 ( 17.336 20.554 -38.397) 46.876 5.503 ( 17.224 -22.546 -14.217) 31.736 5.987 ( 28.168 -30.409 4.617) 41.707 7.115 ( 4.771 7.336 -9.957) 13.256 7.536 ( 15.554 -10.349 -20.456) 27.703 7.898 ( -7.076 -3.666 -24.557) 25.818 8.601 ( -24.284 11.976 0.578) 27.083 8.955 ( -26.267 4.547 9.577) 28.325 9.472 ( -15.032 22.549 12.737) 29.944 10.693 ( -9.710 5.214 -3.205) 11.478 11.021 ( -18.406 14.617 -5.826) 24.216 11.414 ( -2.597 3.620 -4.516) 6.344 11.698 ( -2.548 -12.958 4.086) 13.824 12.006 ( 13.421 -3.092 -9.942) 16.986 12.699 ( 8.166 9.568 9.980) 16.057 13.014 ( 2.856 -7.173 -0.285) 7.725 13.658 ( 3.000 0.244 6.388) 7.062 13.765 ( -3.961 -7.574 11.878) 14.633 14.556 ( -5.002 -2.073 14.032) 15.040 15.390 ( -1.466 1.733 -5.514) 5.963 16.027 ( -10.024 12.108 9.220) 18.223 17.214 ( -0.950 -1.449 9.739) 9.892 17.502 ( -2.341 -6.072 8.680) 10.849 17.733 ( 0.821 3.112 -15.700) 16.026 18.629 ( 4.672 7.060 -6.902) 10.923 18.850 ( 10.625 -2.828 -7.789) 13.474 21.433 ( -13.422 7.003 29.806) 33.430 23.201 ( -0.934 -8.188 -2.938) 8.749 27.130 ( 3.284 -2.246 10.321) 11.061 27.880 ( -20.544 -4.955 4.993) 21.715 28.851 ( -1.646 -1.558 3.455) 4.132 29.146 ( 0.637 -3.903 5.056) 6.418 29.512 ( 11.105 -1.516 -6.228) 12.822 30.701 ( 27.436 4.294 -28.143) 39.537 ======================= Grid point 329 (102/186) ======================= q-point: ( 0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -2.139 -4.390 29.043) 29.451 4.177 ( 4.270 -13.567 18.763) 23.544 4.885 ( 27.994 12.519 -19.474) 36.327 5.983 ( 5.648 -16.909 -35.678) 39.884 6.892 ( 18.692 -15.117 5.788) 24.727 7.003 ( 5.605 -6.840 13.630) 16.247 7.581 ( 2.498 12.252 -25.023) 27.973 7.953 ( -22.672 2.708 8.378) 24.322 8.208 ( 0.810 -7.385 -8.023) 10.934 8.770 ( -5.227 3.235 8.704) 10.656 9.076 ( -0.652 5.110 1.122) 5.273 10.352 ( -13.594 17.787 -5.358) 23.019 10.560 ( -10.850 17.580 -10.224) 23.050 11.352 ( -0.403 0.942 0.497) 1.139 11.944 ( -4.275 -15.180 6.644) 17.113 12.174 ( 6.470 -5.784 -0.492) 8.692 12.519 ( 3.637 16.952 8.608) 19.357 13.161 ( -0.812 -5.669 -0.220) 5.731 13.612 ( -8.894 -0.049 7.456) 11.606 13.879 ( 0.455 -5.901 9.500) 11.193 14.530 ( -5.069 -0.054 11.884) 12.920 15.303 ( -4.018 4.909 -5.841) 8.623 15.738 ( -4.229 10.613 9.819) 15.064 17.244 ( 1.078 -1.783 7.481) 7.766 17.552 ( 0.433 2.599 -1.695) 3.133 17.706 ( -3.483 -5.179 -7.647) 9.871 18.525 ( 5.045 9.721 -5.377) 12.201 19.018 ( 9.631 -3.624 -8.495) 13.343 21.251 ( -6.598 1.660 34.772) 35.432 23.331 ( -1.552 -7.454 -4.753) 8.976 27.203 ( 2.949 -2.136 7.974) 8.766 27.811 ( -13.598 -6.440 4.215) 15.625 28.884 ( -0.715 -3.377 2.357) 4.179 29.240 ( -2.017 -7.364 4.700) 8.966 29.640 ( 9.104 -1.091 -5.773) 10.835 30.808 ( 19.136 10.631 -25.223) 33.398 ======================= Grid point 330 (103/186) ======================= q-point: ( 0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 1.324 -14.220 9.193) 16.984 4.374 ( -1.635 -8.748 -5.306) 10.361 5.052 ( 19.875 2.891 4.406) 20.562 6.223 ( 4.525 -6.137 -16.784) 18.434 6.544 ( -16.604 16.782 11.295) 26.171 7.111 ( -13.185 15.961 2.539) 20.857 7.523 ( -2.595 -2.257 -14.073) 14.487 8.046 ( 12.654 -13.559 -14.605) 23.607 8.345 ( -6.829 -9.081 -7.774) 13.767 8.826 ( 15.790 -7.692 16.933) 24.397 9.303 ( 18.889 -11.867 0.530) 22.313 9.873 ( -12.937 17.397 -4.263) 22.095 10.219 ( -0.950 12.576 -14.345) 19.101 11.437 ( 5.798 -7.586 12.382) 15.636 11.970 ( -6.269 14.265 9.290) 18.141 12.233 ( -0.449 0.842 7.970) 8.027 12.433 ( 4.141 -9.808 3.318) 11.151 13.038 ( -14.596 12.249 3.021) 19.293 13.601 ( -4.637 -8.513 8.098) 12.631 13.970 ( -0.867 -4.272 6.700) 7.994 14.438 ( -7.791 2.850 11.186) 13.926 15.159 ( -4.001 5.702 -7.911) 10.541 15.582 ( -1.580 4.139 5.710) 7.227 17.274 ( 1.797 1.574 -7.149) 7.537 17.457 ( 2.835 6.611 3.280) 7.906 17.833 ( -3.792 -11.277 -2.024) 12.069 18.409 ( 4.459 8.587 -4.101) 10.509 19.152 ( 6.093 -1.942 -9.127) 11.145 21.218 ( -2.168 -2.012 36.501) 36.621 23.427 ( -1.050 -4.969 -5.097) 7.195 27.258 ( 1.267 -1.532 7.131) 7.403 27.816 ( -5.567 -5.233 3.451) 8.384 28.943 ( -0.853 -3.711 2.065) 4.332 29.361 ( -4.654 -10.081 1.589) 11.216 29.732 ( 7.134 0.189 -5.586) 9.063 30.738 ( 11.925 14.636 -19.951) 27.468 ======================= Grid point 331 (104/186) ======================= q-point: ( 0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 1.509 -17.666 -7.802) 19.371 4.454 ( 1.927 2.878 -16.007) 16.377 5.034 ( -5.659 2.738 25.271) 26.041 6.121 ( -24.244 4.229 5.110) 25.135 6.477 ( 17.710 -2.266 11.301) 21.130 6.658 ( -8.990 12.623 -0.551) 15.507 7.555 ( 1.658 -3.199 -27.803) 28.036 8.295 ( -1.698 -5.051 -22.113) 22.746 8.454 ( 1.211 -13.944 -5.154) 14.915 9.050 ( 5.084 8.992 -0.407) 10.337 9.412 ( -4.355 6.206 -3.735) 8.452 9.689 ( 14.710 4.791 -8.774) 17.785 10.411 ( 24.715 -23.190 11.461) 35.776 11.274 ( -6.221 36.104 24.613) 44.136 11.819 ( -3.980 -15.112 8.462) 17.771 12.358 ( 9.723 -2.192 16.291) 19.098 12.498 ( -14.965 9.088 0.119) 17.509 12.706 ( 0.410 -3.543 0.875) 3.673 13.733 ( -4.966 -9.258 6.093) 12.145 13.960 ( -8.101 1.517 5.602) 9.966 14.321 ( -8.136 -1.290 13.752) 16.031 15.050 ( -1.381 2.769 -10.238) 10.696 15.536 ( -1.273 0.295 1.850) 2.265 17.211 ( 2.081 5.730 -28.652) 29.293 17.422 ( 2.565 1.985 22.384) 22.618 17.994 ( -1.754 -9.822 -2.557) 10.300 18.317 ( 3.888 6.830 -3.776) 8.719 19.201 ( 1.644 0.898 -9.365) 9.551 21.248 ( -0.061 -2.044 36.969) 37.026 23.486 ( -0.290 -2.629 -5.054) 5.704 27.279 ( -0.988 -0.660 7.044) 7.144 27.882 ( 2.888 -3.835 3.079) 5.704 28.982 ( -2.499 -2.334 2.789) 4.413 29.485 ( -6.310 -9.724 -3.161) 12.015 29.784 ( 5.273 0.831 -5.919) 7.971 30.562 ( 6.082 15.088 -15.099) 22.195 ======================= Grid point 332 (105/186) ======================= q-point: (-0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( -4.964 -2.024 -16.223) 17.085 4.261 ( -0.777 14.926 -12.710) 19.620 5.102 ( -2.125 -12.908 32.252) 34.804 5.723 ( -24.156 7.528 18.470) 31.326 6.463 ( -5.801 -10.132 -6.643) 13.433 6.824 ( 16.411 -1.389 -17.361) 23.931 7.711 ( 11.213 -8.790 -10.077) 17.451 8.328 ( -4.868 -2.909 -20.709) 21.472 8.650 ( -0.319 6.750 -1.367) 6.894 8.882 ( 1.999 -3.204 -3.139) 4.911 9.155 ( -7.809 9.656 -12.056) 17.308 9.915 ( 19.724 1.582 -0.946) 19.810 10.425 ( -6.313 35.453 14.119) 38.680 11.210 ( 23.568 -23.879 22.096) 40.173 11.885 ( -11.680 10.757 8.554) 18.036 12.029 ( -12.164 -2.340 10.828) 16.453 12.729 ( 7.115 -7.752 0.754) 10.550 12.872 ( 14.739 -9.025 5.858) 18.248 13.675 ( -16.533 3.622 7.102) 18.355 13.889 ( -7.292 -5.075 6.335) 10.912 14.335 ( -3.593 -6.512 13.935) 15.795 15.052 ( 1.172 -3.134 -9.123) 9.718 15.517 ( -1.895 0.508 0.383) 1.999 17.175 ( 2.784 0.491 -31.934) 32.058 17.398 ( 0.296 2.644 24.586) 24.729 18.131 ( 0.221 -6.241 -3.172) 7.005 18.245 ( 3.749 5.744 -3.955) 7.918 19.155 ( -2.467 3.770 -9.187) 10.232 21.275 ( 0.752 -0.512 36.829) 36.840 23.515 ( 0.367 -0.610 -5.241) 5.290 27.264 ( -2.036 0.483 7.063) 7.367 28.009 ( 9.765 -3.088 2.804) 10.618 28.970 ( -4.727 -0.637 3.604) 5.978 29.542 ( -6.935 -3.701 -6.395) 10.134 29.823 ( 5.133 1.048 -7.743) 9.349 30.355 ( -0.745 10.749 -11.568) 15.808 ======================= Grid point 333 (106/186) ======================= q-point: (-0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( 1.001 18.923 6.057) 19.893 4.052 ( -16.262 -0.722 -17.703) 24.049 4.912 ( -7.704 23.918 25.782) 36.002 5.885 ( 0.769 -30.259 3.090) 30.426 6.715 ( -4.656 -20.200 -14.132) 25.088 6.883 ( 4.774 2.821 -28.625) 29.158 7.992 ( 12.855 5.452 6.223) 15.287 8.131 ( -2.564 22.568 -5.655) 23.407 8.466 ( -7.069 -4.296 5.062) 9.698 8.921 ( 12.033 2.410 -8.694) 15.040 9.172 ( -3.051 1.299 1.765) 3.756 9.534 ( -10.687 9.464 7.683) 16.212 10.420 ( 15.727 -8.146 -7.410) 19.199 11.450 ( 2.756 7.002 11.498) 13.742 11.870 ( 1.965 -10.781 5.368) 12.203 12.022 ( -5.581 -6.651 6.846) 11.057 12.773 ( 8.339 7.467 3.926) 11.862 13.176 ( 5.695 -4.854 2.762) 7.976 13.445 ( -19.564 -1.501 10.774) 22.385 13.957 ( 1.831 -7.689 8.981) 11.964 14.451 ( -0.409 -7.796 13.456) 15.557 15.162 ( 1.783 -6.637 -6.236) 9.280 15.489 ( -2.281 -0.832 2.562) 3.530 17.246 ( 2.540 -4.396 -27.820) 28.280 17.345 ( -1.446 1.815 20.417) 20.549 18.146 ( 3.876 6.879 -3.195) 8.518 18.256 ( 1.131 -4.028 -4.570) 6.196 19.026 ( -5.140 6.055 -8.679) 11.765 21.287 ( 1.235 -0.183 36.343) 36.365 23.515 ( 0.767 1.357 -5.843) 6.048 27.227 ( -1.712 1.439 7.165) 7.505 28.185 ( 14.445 -2.609 1.970) 14.810 28.916 ( -6.314 0.066 4.141) 7.551 29.475 ( -7.069 2.608 -7.171) 10.402 29.814 ( 8.336 9.134 -9.181) 15.402 30.199 ( -10.112 0.025 -10.815) 14.806 ======================= Grid point 334 (107/186) ======================= q-point: (-0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 2.341 12.628 30.648) 33.231 3.895 ( -16.905 2.395 2.678) 17.282 4.481 ( -0.499 14.324 -3.075) 14.658 6.214 ( 4.123 2.708 -41.072) 41.368 6.789 ( -7.091 15.449 -9.708) 19.575 7.041 ( -1.641 -10.148 -1.517) 10.391 7.400 ( -1.115 22.762 15.721) 27.686 8.139 ( 4.503 -11.955 0.150) 12.775 8.454 ( -4.686 15.460 -2.646) 16.370 8.869 ( 6.617 1.195 -5.361) 8.600 9.297 ( 14.553 -17.100 8.710) 24.085 9.755 ( -10.566 -29.700 -2.913) 31.658 10.702 ( 6.351 -11.504 -0.592) 13.154 11.505 ( 15.080 -1.687 -1.939) 15.297 11.832 ( -14.062 -0.681 -0.810) 14.102 12.126 ( -3.504 -0.582 2.318) 4.242 12.657 ( 8.122 14.173 5.983) 17.396 13.173 ( -2.034 3.566 1.363) 4.326 13.376 ( -11.039 -8.208 13.975) 19.610 14.123 ( 5.712 -2.033 8.061) 10.087 14.571 ( 0.572 -5.117 13.905) 14.827 15.291 ( 0.635 -5.778 -4.690) 7.469 15.560 ( -0.339 -10.562 9.502) 14.211 17.272 ( 0.133 1.889 20.176) 20.264 17.403 ( -0.215 -7.787 -26.843) 27.951 18.038 ( 3.324 9.529 -2.970) 10.520 18.342 ( 0.557 -4.780 -5.117) 7.024 18.855 ( -4.691 6.826 -7.914) 11.455 21.327 ( 1.529 -3.415 35.280) 35.478 23.479 ( 0.771 3.740 -6.674) 7.689 27.181 ( -0.885 2.192 7.684) 8.040 28.389 ( 15.716 -2.522 -0.301) 15.920 28.853 ( -6.484 -0.871 4.603) 7.999 29.321 ( -5.914 6.832 -6.857) 11.344 29.666 ( 5.103 14.620 -7.719) 17.302 30.131 ( -10.842 -3.555 -12.497) 16.922 ======================= Grid point 335 (108/186) ======================= q-point: (-0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 0.000 -1.200 46.611) 46.626 3.598 ( -0.000 17.275 39.092) 42.739 4.470 ( 0.000 -10.558 -43.482) 44.745 5.952 ( -0.000 52.848 41.043) 66.914 6.012 ( -0.000 19.136 -53.610) 56.923 7.120 ( -0.000 1.674 -14.826) 14.920 7.326 ( -0.000 0.853 -13.654) 13.681 8.107 ( -0.000 12.390 -17.495) 21.438 8.699 ( 0.000 -40.807 14.540) 43.319 8.961 ( 0.000 -4.477 -12.582) 13.355 9.741 ( 0.000 -19.094 17.878) 26.157 10.238 ( 0.000 -30.293 -3.451) 30.489 10.996 ( 0.000 -18.563 -1.306) 18.609 11.598 ( -0.000 5.860 0.711) 5.902 11.794 ( 0.000 -5.679 -12.665) 13.881 11.931 ( -0.000 16.995 -0.016) 16.995 12.529 ( -0.000 3.389 9.599) 10.180 13.063 ( -0.000 7.154 0.847) 7.204 13.449 ( 0.000 -4.520 12.267) 13.074 14.081 ( -0.000 9.165 6.880) 11.460 14.630 ( 0.000 -1.377 14.469) 14.534 15.371 ( 0.000 -3.056 -4.507) 5.445 15.853 ( 0.000 -20.845 13.492) 24.830 17.251 ( -0.000 0.552 21.894) 21.901 17.521 ( 0.000 -4.693 -26.046) 26.466 17.876 ( -0.000 10.360 -2.485) 10.654 18.444 ( 0.000 -6.702 -5.701) 8.799 18.719 ( -0.000 5.218 -7.198) 8.891 21.459 ( 0.000 -10.746 31.973) 33.730 23.389 ( -0.000 7.314 -6.848) 10.020 27.131 ( -0.000 2.939 9.165) 9.625 28.545 ( 0.000 -2.626 -3.957) 4.749 28.843 ( 0.000 -3.075 4.304) 5.289 29.135 ( -0.000 9.615 -4.534) 10.630 29.431 ( -0.000 13.820 -5.336) 14.815 30.097 ( -0.000 0.204 -13.023) 13.025 ======================= Grid point 338 (109/186) ======================= q-point: ( 0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -10.653 -0.000 31.916) 33.647 4.010 ( 19.169 0.000 41.674) 45.871 5.335 ( 12.016 0.000 -32.669) 34.809 5.539 ( 16.484 0.000 -42.151) 45.260 6.026 ( 50.368 0.000 32.185) 59.773 7.401 ( 7.616 0.000 -13.046) 15.106 7.452 ( 14.194 0.000 -8.525) 16.557 7.785 ( -9.462 -0.000 -30.092) 31.544 8.557 ( -11.813 -0.000 -0.713) 11.835 8.599 ( -33.762 -0.000 9.299) 35.020 9.597 ( -13.630 -0.000 10.427) 17.161 10.473 ( -21.814 -0.000 1.889) 21.895 10.998 ( -17.312 -0.000 -6.409) 18.460 11.436 ( -13.032 -0.000 2.274) 13.229 11.484 ( -0.102 -0.000 -6.721) 6.722 12.176 ( 19.430 0.000 -10.869) 22.264 12.926 ( 10.638 0.000 8.861) 13.844 12.927 ( -2.416 -0.000 -1.901) 3.074 13.608 ( -7.888 -0.000 14.513) 16.518 13.705 ( 0.436 0.000 8.195) 8.207 14.481 ( -3.895 -0.000 12.255) 12.859 15.392 ( -1.585 -0.000 -6.335) 6.530 16.006 ( -13.086 -0.000 8.698) 15.713 17.185 ( -1.167 -0.000 4.862) 5.000 17.426 ( -1.103 -0.000 15.462) 15.501 17.789 ( 2.131 0.000 -12.987) 13.161 18.755 ( 6.384 0.000 -7.738) 10.032 18.943 ( 11.862 0.000 -8.465) 14.573 21.338 ( -15.398 -0.000 30.511) 34.176 23.120 ( 0.483 0.000 -1.181) 1.276 27.150 ( 4.561 0.000 9.853) 10.858 27.646 ( -15.432 -0.000 6.362) 16.692 28.820 ( -1.277 -0.000 4.422) 4.602 29.120 ( 0.211 0.000 8.280) 8.282 29.615 ( 11.160 0.000 -5.935) 12.640 31.015 ( 23.663 0.000 -32.654) 40.327 ======================= Grid point 339 (110/186) ======================= q-point: ( 0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -9.460 -3.901 20.448) 22.865 4.181 ( 15.633 1.676 29.677) 33.585 5.362 ( 18.706 10.113 -20.350) 29.433 5.782 ( 9.664 -11.476 -33.819) 36.998 6.810 ( 44.305 -20.999 23.697) 54.456 7.164 ( -6.047 14.105 -2.092) 15.489 7.656 ( -7.111 -2.936 -16.634) 18.327 7.788 ( -2.181 1.634 -14.769) 15.018 8.199 ( -3.545 4.511 -1.827) 6.021 8.623 ( -5.929 -10.127 5.317) 12.883 9.292 ( 0.164 15.212 4.799) 15.952 10.276 ( -26.195 0.004 -4.642) 26.603 10.718 ( -13.777 10.343 -7.825) 18.922 11.310 ( -6.631 -1.162 0.852) 6.785 11.609 ( -4.070 -13.487 3.072) 14.418 12.309 ( 13.536 5.503 -5.366) 15.566 12.803 ( 0.281 9.676 3.915) 10.442 13.038 ( -1.140 -4.650 1.362) 4.978 13.511 ( -9.614 1.245 13.469) 16.595 13.747 ( -5.376 -7.036 8.732) 12.436 14.471 ( -2.276 -1.031 9.606) 9.926 15.341 ( -3.037 3.378 -6.904) 8.264 15.819 ( -9.686 6.264 10.510) 15.605 17.210 ( -0.048 -3.706 3.225) 4.913 17.460 ( -0.410 -4.229 14.508) 15.117 17.762 ( 1.378 4.877 -11.915) 12.948 18.756 ( 7.431 7.692 -7.460) 13.039 19.073 ( 10.142 -1.451 -8.797) 13.504 21.189 ( -9.365 0.640 34.125) 35.392 23.188 ( -0.309 -6.438 -2.634) 6.963 27.209 ( 4.001 -0.996 7.537) 8.591 27.568 ( -10.346 -6.069 5.223) 13.083 28.829 ( -0.381 -1.858 4.842) 5.201 29.139 ( -1.328 -2.678 9.582) 10.037 29.731 ( 10.393 -0.168 -5.719) 11.864 31.158 ( 16.280 7.176 -30.772) 35.545 ======================= Grid point 340 (111/186) ======================= q-point: ( 0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -4.367 -11.491 5.623) 13.518 4.278 ( 7.324 -0.308 15.222) 16.895 5.407 ( 19.581 10.033 -6.983) 23.083 6.027 ( -5.159 -10.468 -15.740) 19.595 6.726 ( -11.231 15.148 6.937) 20.093 7.194 ( -9.464 11.569 11.083) 18.608 7.545 ( -3.086 5.835 -18.269) 19.425 7.920 ( 19.438 -17.115 -14.875) 29.867 8.249 ( 0.745 -1.199 -10.987) 11.077 8.826 ( 15.971 -10.992 22.831) 29.952 9.349 ( 21.771 -6.471 -7.177) 23.819 9.924 ( -20.598 9.158 -9.619) 24.509 10.421 ( -6.421 10.507 -9.885) 15.790 11.326 ( -2.684 -6.379 2.659) 7.414 11.867 ( -2.097 -18.226 11.496) 21.650 12.255 ( 1.380 8.936 6.356) 11.053 12.616 ( 4.292 13.033 2.466) 13.942 13.018 ( -13.133 2.393 3.752) 13.867 13.418 ( -6.556 -3.412 9.693) 12.189 13.809 ( -8.840 -7.921 7.444) 14.011 14.415 ( -6.210 3.484 8.240) 10.890 15.223 ( -3.095 5.517 -8.328) 10.458 15.628 ( -6.210 5.355 9.206) 12.328 17.297 ( 3.662 -2.897 1.323) 4.853 17.552 ( 0.019 -4.802 10.983) 11.987 17.674 ( -0.227 3.331 -11.034) 11.528 18.654 ( 7.235 11.645 -6.452) 15.152 19.186 ( 6.204 -1.381 -8.873) 10.915 21.145 ( -3.465 -2.783 36.445) 36.715 23.307 ( -0.726 -7.079 -3.975) 8.151 27.248 ( 0.739 -0.618 6.186) 6.261 27.639 ( -3.241 -9.254 2.947) 10.238 28.871 ( -0.426 -3.007 5.124) 5.957 29.188 ( -2.971 -5.396 8.279) 10.319 29.822 ( 8.369 0.938 -5.492) 10.054 31.108 ( 10.106 13.284 -25.813) 30.739 ======================= Grid point 341 (112/186) ======================= q-point: ( 0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( -0.661 -18.414 -5.944) 19.361 4.369 ( 1.767 -4.692 9.437) 10.686 5.245 ( -3.233 19.485 0.855) 19.770 5.966 ( -13.991 1.651 5.523) 15.132 6.598 ( 1.641 5.472 17.449) 18.360 6.790 ( -4.051 8.759 -2.284) 9.917 7.501 ( -1.648 -1.493 -29.707) 29.790 8.201 ( -3.883 -2.212 -14.630) 15.297 8.314 ( 9.311 -8.069 -14.093) 18.720 9.197 ( 9.049 0.358 7.378) 11.681 9.490 ( -2.013 5.018 -9.174) 10.649 9.890 ( 19.388 -4.191 -8.271) 21.491 10.353 ( 16.969 -8.879 2.624) 19.331 11.482 ( -2.618 -12.776 8.881) 15.778 11.887 ( -0.790 27.718 15.449) 31.742 12.241 ( -0.653 -17.300 11.606) 20.843 12.511 ( 1.603 3.436 9.597) 10.319 12.702 ( -13.679 10.668 3.633) 17.724 13.491 ( -6.702 -9.781 6.162) 13.363 13.832 ( -11.367 -5.261 6.034) 13.903 14.233 ( -10.962 4.673 9.594) 15.299 15.107 ( -1.069 4.951 -11.235) 12.324 15.521 ( -3.704 0.976 5.449) 6.661 17.337 ( 3.960 3.843 -14.340) 15.365 17.520 ( 2.761 5.533 12.182) 13.661 17.776 ( -1.813 -12.114 -1.672) 12.362 18.519 ( 5.729 10.725 -5.338) 13.280 19.238 ( 2.254 0.631 -8.922) 9.224 21.192 ( -0.411 -3.971 37.284) 37.497 23.412 ( -0.407 -5.306 -4.484) 6.959 27.254 ( -1.330 -0.657 5.998) 6.179 27.803 ( 3.121 -8.927 1.080) 9.518 28.908 ( -2.372 -2.355 6.550) 7.353 29.272 ( -3.714 -8.018 3.587) 9.537 29.866 ( 5.635 2.142 -5.311) 8.034 30.919 ( 5.833 16.844 -20.904) 27.473 ======================= Grid point 342 (113/186) ======================= q-point: (-0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -0.105 -13.582 -15.425) 20.553 4.471 ( 0.777 -4.632 3.076) 5.615 4.833 ( -12.653 9.397 15.177) 21.881 5.755 ( -9.043 11.898 17.753) 23.206 6.303 ( -12.163 2.813 5.914) 13.814 6.980 ( 17.976 -1.934 -17.983) 25.500 7.574 ( -1.120 -11.221 -11.614) 16.188 8.196 ( -4.556 -3.795 -16.320) 17.364 8.563 ( 4.825 -10.003 -10.618) 15.365 9.012 ( -2.947 11.501 -7.569) 14.080 9.347 ( -2.855 13.092 -12.212) 18.130 10.104 ( 20.222 -1.958 -11.517) 23.354 11.006 ( 26.834 -10.290 17.355) 33.573 11.212 ( 3.133 31.378 22.585) 38.787 11.664 ( -8.254 -12.389 8.742) 17.263 12.142 ( -11.842 18.629 12.550) 25.392 12.535 ( -9.051 -16.150 9.825) 20.959 12.825 ( 16.993 -12.328 6.797) 22.067 13.552 ( -10.618 -4.229 5.124) 12.525 13.709 ( -14.428 0.919 6.023) 15.661 14.153 ( -6.711 -6.723 11.572) 14.971 15.039 ( -0.115 1.472 -11.880) 11.972 15.497 ( -1.942 -0.663 1.803) 2.732 17.268 ( 2.800 6.006 -29.244) 29.985 17.468 ( 1.569 3.913 23.834) 24.204 17.976 ( -0.253 -10.928 -2.824) 11.290 18.404 ( 4.019 7.892 -4.622) 9.990 19.208 ( -0.627 3.617 -8.785) 9.521 21.254 ( 0.514 -2.632 37.246) 37.342 23.484 ( 0.040 -3.101 -4.758) 5.680 27.247 ( -1.585 -0.230 6.237) 6.440 28.007 ( 7.491 -7.858 -0.124) 10.857 28.897 ( -5.122 -0.852 8.309) 9.798 29.379 ( -3.704 -7.588 -2.436) 8.788 29.874 ( 3.302 1.553 -5.264) 6.405 30.650 ( 2.549 18.195 -17.069) 25.078 ======================= Grid point 343 (114/186) ======================= q-point: (-0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -5.644 1.214 -15.807) 16.828 4.266 ( 0.687 23.777 -6.730) 24.721 5.035 ( -3.059 -22.731 29.742) 37.558 5.415 ( -6.250 4.523 19.834) 21.282 6.360 ( -2.954 -14.519 -7.135) 16.445 7.035 ( 4.707 6.921 -38.976) 39.864 7.919 ( 7.128 -20.938 10.511) 24.488 8.211 ( -5.069 -1.550 -15.249) 16.144 8.638 ( -0.474 9.007 -2.371) 9.326 8.940 ( 2.873 -4.808 -7.008) 8.971 9.071 ( -1.923 9.518 -14.185) 17.191 10.113 ( 0.755 38.060 13.233) 40.302 10.496 ( 8.691 7.324 0.646) 11.384 11.565 ( 4.429 -4.415 13.788) 15.140 11.781 ( -7.025 7.698 7.392) 12.777 11.856 ( 8.992 -12.052 6.735) 16.477 12.733 ( -4.628 -16.609 16.072) 23.571 13.168 ( 8.869 -5.650 5.402) 11.822 13.338 ( -10.304 10.840 4.570) 15.639 13.733 ( -5.939 -14.587 8.410) 17.854 14.271 ( -1.990 -10.362 12.229) 16.152 15.068 ( 0.301 -4.465 -9.426) 10.435 15.480 ( -1.182 0.938 0.654) 1.645 17.227 ( 1.645 0.662 -31.876) 31.925 17.400 ( -0.024 4.445 24.867) 25.261 18.138 ( 0.283 -7.074 -4.133) 8.198 18.318 ( 2.456 5.805 -4.302) 7.632 19.104 ( -1.755 6.404 -8.470) 10.763 21.289 ( 0.468 -0.818 36.812) 36.824 23.522 ( 0.229 -1.014 -5.249) 5.351 27.231 ( -0.928 0.568 6.584) 6.673 28.225 ( 8.487 -7.053 -1.367) 11.119 28.842 ( -5.998 0.213 9.279) 11.051 29.433 ( -2.911 -1.928 -6.699) 7.554 29.903 ( 2.281 -2.017 -6.119) 6.834 30.338 ( -0.653 18.084 -14.096) 22.938 ======================= Grid point 344 (115/186) ======================= q-point: (-0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.802 ( 0.000 -0.675 -15.254) 15.269 3.831 ( -0.000 23.390 12.484) 26.513 4.827 ( -0.000 22.479 21.443) 31.066 5.916 ( 0.000 -36.541 -0.087) 36.541 6.644 ( 0.000 -16.938 -18.183) 24.850 6.937 ( -0.000 3.797 -29.728) 29.970 8.098 ( -0.000 36.708 12.622) 38.818 8.119 ( -0.000 4.606 -12.367) 13.197 8.403 ( 0.000 -12.530 15.138) 19.651 9.073 ( 0.000 -3.167 -12.942) 13.324 9.198 ( 0.000 -22.366 -5.192) 22.961 9.354 ( -0.000 32.314 13.409) 34.986 10.595 ( 0.000 -5.477 -1.979) 5.824 11.620 ( -0.000 0.672 -0.261) 0.721 11.669 ( 0.000 -2.230 7.496) 7.821 12.064 ( 0.000 -5.286 3.751) 6.482 13.008 ( -0.000 16.869 2.291) 17.023 13.057 ( 0.000 -17.641 20.610) 27.129 13.217 ( -0.000 1.945 2.070) 2.840 14.001 ( 0.000 -14.223 9.790) 17.266 14.443 ( 0.000 -9.324 13.210) 16.169 15.178 ( 0.000 -6.975 -6.321) 9.413 15.462 ( 0.000 -0.909 3.325) 3.447 17.280 ( 0.000 -5.304 -31.445) 31.889 17.324 ( -0.000 3.741 24.096) 24.385 18.185 ( -0.000 4.302 -3.354) 5.455 18.281 ( 0.000 -2.131 -5.586) 5.979 18.964 ( -0.000 7.769 -8.093) 11.218 21.302 ( 0.000 -0.688 36.252) 36.259 23.524 ( -0.000 1.066 -6.015) 6.109 27.208 ( -0.000 1.407 6.991) 7.131 28.398 ( 0.000 -5.976 -2.428) 6.450 28.797 ( -0.000 0.116 8.885) 8.885 29.393 ( -0.000 4.055 -7.972) 8.944 29.991 ( 0.000 -5.171 -8.497) 9.947 30.003 ( -0.000 18.194 -11.391) 21.465 ======================= Grid point 349 (116/186) ======================= q-point: ( 0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -9.859 -0.000 7.978) 12.683 4.411 ( 18.194 0.000 32.246) 37.025 5.537 ( 8.899 0.000 -19.192) 21.155 5.834 ( 10.892 0.000 -21.103) 23.748 7.070 ( -28.745 -0.000 5.755) 29.315 7.150 ( 52.273 0.000 18.916) 55.590 7.742 ( -2.534 -0.000 -40.053) 40.133 7.783 ( 16.320 0.000 -10.073) 19.178 8.233 ( -6.507 -0.000 4.151) 7.718 8.424 ( 0.083 0.000 7.340) 7.341 9.478 ( 6.229 0.000 0.182) 6.231 9.974 ( -23.177 -0.000 -0.605) 23.185 10.625 ( -18.844 -0.000 -7.710) 20.360 11.206 ( -9.362 -0.000 11.131) 14.545 11.463 ( -1.104 -0.000 -8.788) 8.858 12.501 ( 8.992 0.000 -6.229) 10.939 12.799 ( -10.541 -0.000 0.173) 10.543 13.022 ( -0.642 -0.000 2.961) 3.030 13.480 ( -2.910 -0.000 15.780) 16.046 13.556 ( -12.433 -0.000 10.371) 16.191 14.462 ( 0.972 0.000 6.969) 7.036 15.347 ( -2.559 -0.000 -7.942) 8.345 15.773 ( -9.141 -0.000 11.353) 14.576 17.139 ( -3.361 -0.000 2.249) 4.044 17.456 ( 4.213 0.000 16.661) 17.185 17.818 ( 0.470 0.000 -9.114) 9.126 18.907 ( 8.103 0.000 -7.642) 11.138 19.164 ( 8.653 0.000 -9.883) 13.136 21.100 ( -7.665 -0.000 34.852) 35.685 23.129 ( 0.387 0.000 -1.810) 1.851 27.252 ( 5.102 0.000 5.826) 7.744 27.412 ( -8.042 -0.000 5.129) 9.539 28.815 ( 0.803 0.000 7.322) 7.365 29.100 ( -2.113 -0.000 11.869) 12.056 29.839 ( 10.394 0.000 -5.897) 11.951 31.364 ( 10.941 0.000 -31.516) 33.361 ======================= Grid point 350 (117/186) ======================= q-point: ( 0.40 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -6.511 -7.124 -4.635) 10.707 4.490 ( 13.437 8.074 25.877) 30.255 5.658 ( 5.677 -0.166 -5.116) 7.644 5.892 ( 2.809 -0.062 -6.740) 7.302 6.767 ( -13.465 4.838 1.868) 14.429 7.433 ( -0.367 20.239 5.984) 21.108 7.647 ( -1.148 8.686 -29.693) 30.959 7.897 ( 22.232 -9.830 -12.330) 27.256 8.238 ( 1.447 -2.422 -5.720) 6.378 8.715 ( 15.564 -20.627 17.952) 31.464 9.530 ( 16.776 3.968 -5.706) 18.159 9.814 ( -11.631 -0.791 -7.729) 13.987 10.420 ( -13.838 1.997 -7.891) 16.054 11.171 ( -6.453 -5.466 8.940) 12.306 11.556 ( -1.174 -11.626 -0.615) 11.701 12.427 ( -6.421 8.703 3.769) 11.453 12.706 ( -8.958 -1.988 2.440) 9.495 12.980 ( -0.438 4.857 3.259) 5.865 13.372 ( -4.780 3.193 11.234) 12.619 13.563 ( -8.954 -7.423 7.037) 13.594 14.440 ( -1.729 3.559 6.455) 7.571 15.283 ( -2.197 3.958 -8.673) 9.783 15.647 ( -6.775 4.506 11.375) 13.986 17.190 ( -1.632 -8.663 0.701) 8.843 17.510 ( 4.624 -0.561 16.392) 17.041 17.774 ( -0.346 4.654 -8.776) 9.940 18.920 ( 8.101 8.018 -8.010) 13.931 19.231 ( 4.709 0.103 -9.297) 10.422 21.060 ( -3.468 -2.348 36.391) 36.631 23.186 ( -0.008 -5.507 -2.618) 6.097 27.260 ( 0.175 1.746 4.731) 5.046 27.450 ( -1.130 -8.823 2.911) 9.359 28.839 ( 1.393 -1.188 9.252) 9.431 29.093 ( -3.049 -2.215 11.637) 12.233 29.930 ( 8.542 1.078 -5.879) 10.426 31.383 ( 6.429 7.696 -28.681) 30.384 ======================= Grid point 351 (118/186) ======================= q-point: ( 0.50 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -4.096 -15.017 -11.388) 19.286 4.468 ( 10.002 7.085 23.434) 26.446 5.447 ( -17.295 13.797 1.523) 22.176 5.976 ( 10.078 1.549 0.620) 10.215 6.698 ( 1.333 3.201 9.092) 9.731 6.907 ( -11.203 16.455 8.238) 21.543 7.511 ( -2.491 5.188 -38.917) 39.340 8.176 ( 2.448 -0.066 -11.763) 12.015 8.295 ( 8.194 -4.687 -11.331) 14.748 9.218 ( 3.362 -9.552 6.985) 12.301 9.544 ( 4.867 2.682 -9.300) 10.834 9.969 ( 23.249 -9.895 -8.275) 26.587 10.350 ( 2.661 -5.160 -2.895) 6.488 11.258 ( -2.045 -9.246 7.187) 11.888 11.813 ( -8.139 -19.568 8.020) 22.660 12.205 ( -4.441 7.362 12.858) 15.468 12.649 ( -1.143 5.053 6.886) 8.617 12.779 ( -6.476 11.668 9.289) 16.259 13.309 ( -5.487 -1.334 6.355) 8.501 13.595 ( -8.853 -7.266 3.932) 12.109 14.277 ( -6.316 9.491 7.057) 13.408 15.190 ( -0.276 4.854 -10.646) 11.703 15.509 ( -4.734 3.202 9.122) 10.764 17.366 ( 2.418 -8.153 -5.379) 10.062 17.570 ( 1.817 -2.834 16.454) 16.794 17.669 ( -0.587 5.290 -7.771) 9.420 18.799 ( 6.145 13.166 -7.866) 16.522 19.263 ( 1.536 -0.010 -8.449) 8.588 21.106 ( -0.687 -4.766 37.481) 37.789 23.299 ( -0.209 -6.821 -3.565) 7.699 27.236 ( -1.206 0.196 4.718) 4.874 27.641 ( 1.917 -11.555 -0.112) 11.713 28.869 ( 0.220 -0.736 11.869) 11.894 29.125 ( -2.764 -5.139 7.769) 9.717 29.969 ( 5.400 2.709 -5.602) 8.239 31.241 ( 3.535 13.630 -24.782) 28.503 ======================= Grid point 352 (119/186) ======================= q-point: ( 0.60 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -1.258 -22.748 -12.531) 26.002 4.435 ( 3.366 5.006 29.956) 30.557 5.003 ( -11.657 15.927 -10.019) 22.134 5.971 ( 10.318 12.305 11.523) 19.765 6.290 ( -17.429 12.578 11.816) 24.528 7.064 ( 15.177 -11.382 3.918) 19.371 7.394 ( -8.591 1.226 -33.248) 34.362 8.145 ( -0.933 1.052 -16.487) 16.547 8.470 ( 4.200 -6.146 -9.613) 12.158 9.149 ( -3.496 6.515 -8.935) 11.597 9.500 ( -1.270 7.987 -14.558) 16.654 10.249 ( 12.079 -1.407 -15.955) 20.062 10.869 ( 21.350 -28.330 14.630) 38.372 11.444 ( 6.353 -9.166 8.134) 13.804 11.862 ( -8.446 15.667 18.688) 25.807 12.053 ( -14.169 -4.346 11.961) 19.045 12.342 ( -5.175 15.175 17.169) 23.492 12.819 ( 14.136 -8.891 8.344) 18.668 13.284 ( -13.084 -7.260 5.807) 16.050 13.627 ( -5.604 -2.343 3.009) 6.778 14.057 ( -4.851 5.085 8.387) 10.942 15.100 ( -0.010 5.013 -12.636) 13.594 15.459 ( -1.759 -0.960 5.069) 5.451 17.411 ( 2.432 5.820 -24.402) 25.204 17.552 ( 0.388 3.925 22.587) 22.929 17.755 ( -0.368 -12.699 -0.901) 12.736 18.616 ( 2.927 12.060 -6.642) 14.076 19.256 ( 0.051 1.905 -8.289) 8.505 21.192 ( 0.168 -4.710 37.706) 37.999 23.408 ( -0.072 -5.478 -4.152) 6.874 27.228 ( -0.820 -0.389 5.166) 5.245 27.878 ( 2.734 -12.168 -2.476) 12.715 28.861 ( -1.618 0.703 13.992) 14.103 29.218 ( -1.390 -7.458 1.979) 7.840 29.950 ( 2.246 3.460 -5.140) 6.591 30.991 ( 1.551 17.334 -21.187) 27.418 ======================= Grid point 353 (120/186) ======================= q-point: (-0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( 0.000 -9.813 -17.817) 20.341 4.496 ( 0.000 -18.491 38.481) 42.694 4.659 ( -0.000 18.724 -17.263) 25.467 5.687 ( -0.000 20.445 23.317) 31.011 6.165 ( 0.000 -4.960 2.431) 5.524 7.194 ( -0.000 7.383 -44.000) 44.615 7.537 ( 0.000 -23.010 17.605) 28.972 8.148 ( 0.000 -2.122 -17.267) 17.397 8.601 ( 0.000 -6.422 -10.614) 12.406 9.010 ( -0.000 7.199 -9.752) 12.121 9.295 ( -0.000 13.226 -15.451) 20.339 10.348 ( 0.000 -1.683 -13.523) 13.627 11.156 ( -0.000 48.272 24.086) 53.947 11.382 ( 0.000 -16.373 11.387) 19.944 11.709 ( 0.000 -12.387 4.098) 13.047 11.997 ( -0.000 14.219 17.812) 22.791 12.288 ( 0.000 -21.804 18.362) 28.506 13.124 ( 0.000 -8.568 9.132) 12.522 13.383 ( 0.000 -15.966 7.321) 17.564 13.503 ( -0.000 10.446 2.405) 10.719 14.082 ( 0.000 -8.527 10.184) 13.282 15.038 ( -0.000 1.238 -12.301) 12.363 15.475 ( 0.000 -0.987 1.679) 1.948 17.301 ( -0.000 6.186 -30.748) 31.364 17.483 ( -0.000 4.498 25.527) 25.921 17.975 ( 0.000 -11.373 -2.828) 11.719 18.451 ( -0.000 8.227 -5.203) 9.734 19.197 ( -0.000 4.645 -8.350) 9.555 21.261 ( 0.000 -2.786 37.337) 37.440 23.485 ( 0.000 -3.281 -4.647) 5.689 27.229 ( 0.000 -0.150 5.881) 5.883 28.104 ( 0.000 -10.864 -3.529) 11.422 28.828 ( -0.000 1.354 13.480) 13.548 29.341 ( 0.000 -6.642 -3.135) 7.345 29.910 ( -0.000 1.812 -4.829) 5.157 30.674 ( -0.000 19.102 -17.909) 26.185 ======================= Grid point 360 (121/186) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -4.034 -0.000 -15.235) 15.760 4.689 ( 7.817 0.000 31.494) 32.449 5.703 ( 6.720 0.000 -4.892) 8.312 5.896 ( -5.150 -0.000 9.609) 10.902 6.712 ( -2.138 -0.000 -3.461) 4.068 7.630 ( -6.803 -0.000 -47.225) 47.713 7.870 ( 8.886 0.000 -7.813) 11.832 8.048 ( -10.794 -0.000 6.045) 12.371 8.081 ( 20.009 0.000 -5.177) 20.668 8.613 ( 11.965 0.000 19.125) 22.559 9.681 ( -0.521 -0.000 -5.102) 5.128 9.834 ( 22.360 0.000 -11.501) 25.145 10.266 ( -15.572 -0.000 -5.589) 16.544 11.043 ( -6.347 -0.000 15.436) 16.690 11.464 ( 1.686 0.000 -8.734) 8.896 12.391 ( -16.348 -0.000 1.140) 16.388 12.492 ( -17.519 -0.000 12.910) 21.763 13.110 ( 9.416 0.000 3.134) 9.924 13.333 ( -7.331 -0.000 1.487) 7.480 13.444 ( -2.520 -0.000 9.587) 9.913 14.473 ( -0.156 -0.000 5.865) 5.867 15.298 ( -1.979 -0.000 -9.460) 9.665 15.639 ( -3.990 -0.000 12.351) 12.980 17.073 ( -2.529 -0.000 2.042) 3.251 17.564 ( 5.330 0.000 19.311) 20.033 17.807 ( -1.410 -0.000 -9.649) 9.752 19.072 ( 7.569 0.000 -8.115) 11.097 19.270 ( 1.515 0.000 -9.576) 9.695 21.009 ( -1.864 -0.000 36.453) 36.500 23.135 ( 0.210 0.000 -2.078) 2.089 27.297 ( -3.502 -0.000 3.810) 5.175 27.344 ( 3.431 0.000 2.008) 3.976 28.851 ( 2.520 0.000 12.519) 12.770 29.040 ( -3.474 -0.000 12.333) 12.813 30.022 ( 6.768 0.000 -6.194) 9.174 31.501 ( 3.269 0.000 -28.581) 28.767 ======================= Grid point 361 (122/186) ======================= q-point: ( 0.50 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -2.101 -6.939 -20.053) 21.323 4.689 ( 5.123 5.605 34.719) 35.540 5.531 ( -8.298 14.872 1.989) 17.146 6.021 ( 5.538 -9.354 5.155) 12.030 6.744 ( 5.901 -1.476 1.225) 6.205 7.238 ( -10.644 32.875 2.617) 34.654 7.602 ( -1.989 7.348 -45.491) 46.123 8.191 ( -0.097 -3.261 -11.215) 11.680 8.326 ( 12.150 -3.180 -2.926) 12.896 8.906 ( -3.209 -21.439 8.398) 23.247 9.716 ( 12.327 4.761 -8.840) 15.899 10.031 ( 12.100 -4.487 -4.723) 13.742 10.214 ( -4.752 -7.584 -8.489) 12.335 11.082 ( -1.135 -9.556 15.274) 18.053 11.519 ( -3.730 -3.931 -4.579) 7.095 12.195 ( -7.177 1.176 9.496) 11.960 12.452 ( -12.528 -10.801 13.752) 21.512 13.041 ( 2.720 14.410 7.214) 16.343 13.314 ( 0.425 0.578 2.293) 2.402 13.437 ( -4.110 -3.298 1.899) 5.601 14.399 ( -1.522 7.632 6.274) 9.997 15.258 ( -0.424 2.690 -10.291) 10.645 15.550 ( -2.464 5.397 11.985) 13.373 17.162 ( -0.753 -11.231 -0.116) 11.256 17.605 ( 3.548 0.760 22.266) 22.559 17.750 ( -1.491 4.278 -12.516) 13.311 19.062 ( 4.715 9.018 -9.329) 13.805 19.268 ( -0.291 -0.118 -8.017) 8.023 21.026 ( -0.453 -3.192 37.118) 37.258 23.186 ( 0.028 -5.159 -2.582) 5.769 27.241 ( -0.932 1.676 3.654) 4.127 27.468 ( 1.158 -9.040 0.148) 9.115 28.877 ( 1.762 0.106 15.900) 15.997 29.029 ( -2.477 -2.692 9.423) 10.108 30.058 ( 3.440 1.910 -6.122) 7.278 31.456 ( 1.377 7.525 -26.763) 27.835 ======================= Grid point 362 (123/186) ======================= q-point: (-0.40 -0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 0.000 -15.369 -16.250) 22.366 4.605 ( -0.000 8.058 37.525) 38.380 5.191 ( -0.000 15.388 -7.782) 17.244 6.170 ( 0.000 -1.908 3.463) 3.954 6.564 ( -0.000 31.889 12.545) 34.268 6.901 ( 0.000 -10.985 11.794) 16.117 7.464 ( -0.000 7.693 -47.450) 48.070 8.181 ( -0.000 2.482 -15.573) 15.769 8.424 ( 0.000 -2.412 -3.879) 4.568 9.133 ( 0.000 -6.406 -7.115) 9.574 9.644 ( -0.000 8.400 -14.251) 16.542 10.278 ( 0.000 -3.153 -19.373) 19.628 10.456 ( 0.000 -27.898 14.724) 31.545 11.372 ( 0.000 -20.315 20.118) 28.591 11.486 ( 0.000 -1.131 -0.256) 1.159 12.198 ( -0.000 0.177 10.635) 10.636 12.637 ( 0.000 -16.359 14.417) 21.805 12.704 ( -0.000 24.173 13.712) 27.791 13.236 ( -0.000 6.598 2.546) 7.072 13.507 ( 0.000 -6.527 0.876) 6.586 14.204 ( -0.000 11.880 6.917) 13.747 15.192 ( -0.000 4.750 -11.784) 12.705 15.457 ( -0.000 2.537 9.411) 9.746 17.390 ( 0.000 -11.986 -8.779) 14.857 17.601 ( -0.000 1.995 25.815) 25.892 17.655 ( -0.000 3.610 -13.077) 13.567 18.870 ( -0.000 14.015 -8.726) 16.509 19.272 ( -0.000 0.023 -7.797) 7.797 21.102 ( 0.000 -5.202 37.764) 38.121 23.297 ( 0.000 -6.748 -3.422) 7.566 27.221 ( -0.000 0.214 4.207) 4.213 27.667 ( 0.000 -12.401 -1.878) 12.543 28.873 ( -0.000 1.030 16.966) 16.998 29.093 ( 0.000 -5.707 5.480) 7.912 30.027 ( -0.000 3.436 -5.661) 6.622 31.274 ( -0.000 13.516 -24.260) 27.771 ======================= Grid point 373 (124/186) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.000 0.000 -24.493) 24.493 4.753 ( 0.000 0.000 38.315) 38.315 5.779 ( 0.000 0.000 0.734) 0.734 5.810 ( 0.000 0.000 9.130) 9.130 6.764 ( 0.000 0.000 1.919) 1.919 7.529 ( 0.000 0.000 -46.588) 46.588 7.889 ( 0.000 0.000 -14.641) 14.641 7.919 ( 0.000 0.000 -1.016) 1.016 8.394 ( 0.000 0.000 0.599) 0.599 8.643 ( 0.000 0.000 11.037) 11.037 9.892 ( -0.000 -0.000 -15.313) 15.313 9.989 ( 0.000 0.000 7.585) 7.585 10.116 ( 0.000 0.000 -16.721) 16.721 10.971 ( 0.000 0.000 16.160) 16.160 11.508 ( 0.000 0.000 -8.668) 8.668 12.146 ( 0.000 0.000 5.290) 5.290 12.263 ( 0.000 0.000 20.993) 20.993 13.261 ( -0.000 -0.000 12.552) 12.552 13.262 ( 0.000 0.000 -3.477) 3.477 13.378 ( 0.000 0.000 -1.235) 1.235 14.468 ( 0.000 0.000 6.048) 6.048 15.276 ( 0.000 0.000 -10.082) 10.082 15.600 ( 0.000 0.000 12.479) 12.479 17.046 ( 0.000 0.000 1.828) 1.828 17.632 ( 0.000 0.000 26.005) 26.005 17.782 ( 0.000 0.000 -15.448) 15.448 19.177 ( -0.000 -0.000 -10.084) 10.084 19.259 ( 0.000 0.000 -7.318) 7.318 20.995 ( 0.000 0.000 36.680) 36.680 23.138 ( 0.000 0.000 -2.125) 2.125 27.262 ( 0.000 0.000 3.320) 3.320 27.381 ( 0.000 0.000 0.374) 0.374 28.893 ( 0.000 0.000 18.269) 18.269 28.988 ( 0.000 0.000 8.886) 8.886 30.095 ( 0.000 0.000 -6.362) 6.362 31.530 ( 0.000 0.000 -27.320) 27.320 ======================= Grid point 420 (125/186) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 0.000 0.000 -3.985) 3.985 4.080 ( 0.000 0.000 -45.903) 45.903 4.551 ( 0.000 0.000 3.712) 3.712 4.553 ( 0.000 0.000 47.002) 47.002 5.616 ( 0.000 0.000 22.076) 22.076 6.548 ( 0.000 0.000 -28.624) 28.624 7.064 ( 0.000 0.000 -4.830) 4.830 7.366 ( 0.000 0.000 -28.767) 28.767 8.986 ( 0.000 0.000 12.272) 12.272 10.061 ( 0.000 0.000 11.365) 11.365 10.438 ( 0.000 0.000 12.895) 12.895 10.706 ( 0.000 0.000 -8.226) 8.226 11.201 ( 0.000 0.000 -22.883) 22.883 11.324 ( 0.000 0.000 3.969) 3.969 11.521 ( 0.000 0.000 -2.834) 2.834 11.638 ( 0.000 0.000 -10.684) 10.684 12.721 ( 0.000 0.000 7.757) 7.757 12.874 ( 0.000 0.000 1.455) 1.455 13.653 ( 0.000 0.000 9.733) 9.733 13.985 ( 0.000 0.000 5.521) 5.521 14.894 ( 0.000 0.000 12.039) 12.039 15.323 ( 0.000 0.000 -4.358) 4.358 16.472 ( 0.000 0.000 4.088) 4.088 17.145 ( 0.000 0.000 -21.017) 21.017 17.638 ( 0.000 0.000 19.021) 19.021 17.766 ( 0.000 0.000 10.353) 10.353 18.452 ( 0.000 0.000 -10.218) 10.218 18.471 ( 0.000 0.000 -9.508) 9.508 22.208 ( 0.000 0.000 17.481) 17.481 23.038 ( 0.000 0.000 -7.079) 7.079 27.356 ( 0.000 0.000 17.719) 17.719 28.360 ( 0.000 0.000 -13.782) 13.782 29.015 ( 0.000 0.000 0.542) 0.542 29.041 ( 0.000 0.000 9.184) 9.184 29.058 ( 0.000 0.000 -0.793) 0.793 29.787 ( 0.000 0.000 -14.683) 14.683 ======================= Grid point 421 (126/186) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 2.146 9.136 -36.150) 37.348 4.036 ( 4.672 -6.420 5.462) 9.637 4.486 ( 7.614 10.618 41.424) 43.435 4.802 ( 1.607 -20.496 -9.604) 22.691 5.911 ( 11.194 -23.388 14.456) 29.687 6.634 ( 5.749 -5.627 -27.038) 28.210 7.077 ( 0.154 -1.464 -10.086) 10.193 7.499 ( 0.253 -15.574 -18.847) 24.451 8.944 ( -5.147 1.679 14.674) 15.641 9.661 ( -8.858 30.358 14.794) 34.913 10.210 ( -22.893 13.308 12.483) 29.274 10.606 ( 5.106 15.933 -6.968) 18.124 11.070 ( -1.140 13.232 -20.443) 24.378 11.369 ( -13.637 -1.997 -5.097) 14.695 11.600 ( 6.169 -9.390 -3.606) 11.800 11.715 ( 6.627 -9.504 -4.486) 12.425 12.731 ( 5.240 2.027 8.691) 10.348 12.964 ( 3.025 -5.962 0.773) 6.730 13.689 ( 3.094 -1.800 10.063) 10.681 14.036 ( -2.530 -6.228 4.454) 8.064 14.890 ( -1.643 -0.406 12.106) 12.224 15.320 ( -0.358 0.427 -4.154) 4.191 16.334 ( -4.642 11.909 6.572) 14.373 17.096 ( -3.369 3.457 -22.193) 22.712 17.665 ( 4.234 0.119 18.628) 19.104 17.794 ( -2.021 -3.981 8.848) 9.911 18.414 ( 0.959 4.375 -9.306) 10.328 18.517 ( 4.903 -2.313 -9.723) 11.132 22.118 ( -4.151 5.819 22.189) 23.312 23.097 ( -0.494 -5.784 -9.324) 10.984 27.359 ( 0.006 -0.410 16.356) 16.362 28.273 ( -15.382 -1.255 -10.365) 18.591 28.964 ( -1.020 1.834 3.570) 4.141 29.131 ( 9.549 -3.293 4.909) 11.231 29.180 ( 4.708 -6.203 -2.833) 8.286 29.861 ( 10.529 -1.532 -15.720) 18.982 ======================= Grid point 422 (127/186) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 7.501 6.373 -23.316) 25.309 4.173 ( -3.618 0.108 27.566) 27.803 4.519 ( 15.946 -7.449 10.354) 20.420 5.212 ( 5.715 -20.984 -10.762) 24.266 6.414 ( 12.692 -9.840 -15.845) 22.561 6.844 ( 8.960 -9.037 -22.331) 25.702 7.202 ( -0.068 -17.370 2.012) 17.487 7.893 ( 3.441 -23.967 -12.477) 27.239 8.735 ( -15.342 17.737 20.885) 31.404 9.100 ( 2.414 17.471 21.514) 27.819 9.650 ( -26.335 17.341 10.610) 33.269 10.257 ( 2.624 25.573 -5.412) 26.271 10.704 ( -16.295 16.975 -13.592) 27.174 11.243 ( -6.799 -0.432 -14.807) 16.300 11.878 ( 11.434 -9.347 0.272) 14.770 12.045 ( 7.539 -16.174 -1.678) 17.923 12.706 ( -0.070 5.346 10.639) 11.907 13.098 ( 3.148 -5.157 -1.761) 6.293 13.749 ( 3.653 -0.424 10.590) 11.210 14.117 ( -4.915 -6.315 3.487) 8.729 14.865 ( -2.735 1.094 12.041) 12.396 15.286 ( -1.630 2.806 -3.573) 4.826 16.016 ( -4.705 16.752 9.645) 19.895 16.962 ( -3.048 7.859 -25.726) 27.072 17.700 ( 3.320 0.251 18.407) 18.706 17.859 ( -3.830 -6.767 6.036) 9.843 18.339 ( 1.828 5.289 -6.666) 8.704 18.646 ( 8.116 -4.254 -10.371) 13.839 21.987 ( -4.064 3.093 28.749) 29.199 23.196 ( -0.995 -5.766 -11.898) 13.259 27.374 ( 0.485 -1.028 13.773) 13.820 28.142 ( -15.982 -2.627 -6.581) 17.483 28.950 ( 0.082 -0.642 3.984) 4.036 29.283 ( 5.288 -4.878 2.359) 7.571 29.344 ( 6.495 -5.381 -4.120) 9.387 30.014 ( 15.016 0.426 -16.817) 22.549 ======================= Grid point 423 (128/186) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 9.016 -1.381 -6.900) 11.437 4.097 ( -1.766 1.730 24.290) 24.416 4.918 ( 11.493 -17.216 -8.218) 22.271 5.638 ( 11.052 -16.687 -5.011) 20.632 6.492 ( 4.814 4.426 -24.376) 25.238 6.992 ( 4.756 5.330 -10.870) 13.007 7.616 ( -1.068 -20.752 0.357) 20.783 8.096 ( -9.566 10.034 6.488) 15.307 8.353 ( -5.284 -5.901 -3.717) 8.749 8.925 ( -7.459 12.287 15.222) 20.936 9.358 ( 3.309 -4.818 15.605) 16.664 9.865 ( 6.768 17.530 0.621) 18.802 10.208 ( -24.578 12.951 -11.215) 29.959 11.319 ( 5.195 -10.180 -10.627) 15.606 12.135 ( 7.961 -6.812 5.668) 11.913 12.316 ( 8.385 1.485 5.266) 10.012 12.563 ( -10.954 -1.922 7.792) 13.579 13.172 ( -0.375 0.272 -4.960) 4.981 13.793 ( 3.761 -1.115 10.679) 11.377 14.125 ( -4.875 -0.258 4.645) 6.739 14.790 ( -3.345 3.535 11.994) 12.944 15.174 ( -4.327 6.288 -2.902) 8.166 15.717 ( -1.013 12.238 7.662) 14.474 16.766 ( -2.104 10.803 -29.912) 31.873 17.739 ( 1.914 -1.820 18.417) 18.605 17.948 ( -3.861 -7.644 3.361) 9.200 18.273 ( 2.130 4.600 -3.132) 5.959 18.807 ( 7.596 -4.079 -11.370) 14.269 21.935 ( -2.223 -0.472 32.102) 32.182 23.274 ( -0.839 -4.087 -12.840) 13.501 27.405 ( 1.150 -1.486 11.750) 11.899 28.040 ( -12.335 -2.294 -3.619) 13.058 28.982 ( 0.920 -2.069 3.343) 4.038 29.404 ( 0.803 -5.114 -4.112) 6.611 29.494 ( 6.302 -3.955 -0.401) 7.451 30.123 ( 12.715 3.620 -15.485) 20.361 ======================= Grid point 424 (129/186) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 4.834 -5.151 8.716) 11.220 4.097 ( 1.665 -0.902 7.559) 7.793 5.282 ( 5.069 -13.280 -13.455) 19.572 5.959 ( 8.792 -5.367 -11.942) 15.771 6.512 ( -0.203 -2.185 -3.809) 4.396 6.742 ( 7.191 17.703 9.442) 21.313 7.699 ( -18.629 6.223 4.931) 20.250 7.942 ( -2.026 -6.717 -6.166) 9.340 8.413 ( -6.006 -7.567 -6.872) 11.856 8.783 ( 5.922 1.982 -5.832) 8.545 9.223 ( 5.891 19.420 -7.686) 21.701 9.655 ( -20.588 12.310 -15.583) 28.605 10.331 ( 16.804 -33.824 29.113) 47.687 11.681 ( 9.550 -15.541 -7.248) 19.628 11.952 ( -6.021 19.888 20.055) 28.879 12.380 ( 4.673 -5.219 12.231) 14.095 12.622 ( -2.507 -2.307 -4.170) 5.385 13.024 ( -11.515 8.133 3.975) 14.647 13.871 ( 3.720 -2.718 7.426) 8.739 14.082 ( 0.866 1.168 3.112) 3.435 14.694 ( -2.413 3.252 11.786) 12.463 15.001 ( -5.131 6.442 -3.256) 8.856 15.576 ( 0.918 4.391 2.914) 5.349 16.570 ( -1.300 8.273 -32.867) 33.917 17.796 ( 1.225 -2.269 18.431) 18.610 18.045 ( -2.897 -7.090 1.218) 7.755 18.212 ( 1.835 4.767 -0.149) 5.110 18.927 ( 4.373 -2.289 -12.219) 13.178 21.940 ( -0.760 -1.294 33.210) 33.244 23.322 ( -0.429 -2.090 -12.891) 13.067 27.444 ( 1.218 -1.220 10.579) 10.718 27.969 ( -7.000 -1.037 -1.258) 7.187 29.029 ( 0.886 -1.829 2.461) 3.192 29.477 ( -0.375 -2.929 -8.402) 8.906 29.606 ( 3.326 -2.856 1.103) 4.521 30.155 ( 7.199 3.881 -12.712) 15.116 ======================= Grid point 425 (130/186) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( -0.000 -0.000 13.372) 13.372 4.119 ( 0.000 0.000 0.656) 0.656 5.446 ( 0.000 -0.000 -9.549) 9.549 6.018 ( -0.000 -0.000 -25.450) 25.450 6.406 ( 0.000 -0.000 13.955) 13.955 6.819 ( 0.000 -0.000 12.576) 12.576 7.419 ( -0.000 -0.000 9.064) 9.064 8.015 ( 0.000 -0.000 -10.158) 10.158 8.555 ( -0.000 0.000 -6.948) 6.948 8.697 ( 0.000 -0.000 -14.550) 14.550 9.182 ( 0.000 -0.000 -10.694) 10.694 9.326 ( -0.000 0.000 -14.313) 14.313 11.007 ( -0.000 0.000 22.497) 22.497 11.363 ( 0.000 -0.000 24.976) 24.976 12.179 ( 0.000 -0.000 -6.610) 6.610 12.407 ( 0.000 0.000 -1.467) 1.467 12.496 ( -0.000 -0.000 14.793) 14.793 12.878 ( 0.000 -0.000 10.606) 10.606 13.925 ( 0.000 -0.000 3.470) 3.470 14.085 ( 0.000 -0.000 2.742) 2.742 14.651 ( 0.000 -0.000 11.764) 11.764 14.903 ( 0.000 -0.000 -4.169) 4.169 15.548 ( 0.000 -0.000 1.009) 1.009 16.484 ( 0.000 -0.000 -33.900) 33.900 17.825 ( 0.000 -0.000 18.380) 18.380 18.125 ( 0.000 0.000 -3.062) 3.062 18.148 ( 0.000 -0.000 4.512) 4.512 18.971 ( 0.000 -0.000 -12.535) 12.535 21.950 ( 0.000 -0.000 33.422) 33.422 23.338 ( 0.000 -0.000 -12.810) 12.810 27.463 ( 0.000 -0.000 10.175) 10.175 27.941 ( 0.000 -0.000 -0.302) 0.302 29.051 ( 0.000 -0.000 2.098) 2.098 29.501 ( 0.000 -0.000 -9.697) 9.697 29.651 ( -0.000 -0.000 0.981) 0.981 30.154 ( 0.000 -0.000 -11.214) 11.214 ======================= Grid point 432 (131/186) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( -2.519 -0.000 -6.643) 7.104 4.139 ( 6.229 0.000 -33.012) 33.594 4.631 ( 9.754 0.000 7.028) 12.022 4.746 ( 17.270 0.000 33.145) 37.374 5.833 ( 21.639 0.000 20.075) 29.517 6.679 ( 11.402 0.000 -28.539) 30.732 7.107 ( 4.573 0.000 -7.509) 8.792 7.329 ( -2.456 -0.000 -27.161) 27.271 8.896 ( -7.166 -0.000 16.629) 18.108 9.669 ( -33.340 -0.000 12.453) 35.590 10.226 ( -17.088 -0.000 17.746) 24.636 10.667 ( -6.013 -0.000 -8.923) 10.760 11.225 ( 2.762 0.000 -22.416) 22.586 11.242 ( -20.622 -0.000 -8.857) 22.444 11.571 ( 17.502 0.000 -2.977) 17.754 11.620 ( -3.761 -0.000 -2.836) 4.711 12.855 ( 10.973 0.000 7.672) 13.389 12.943 ( 3.713 0.000 2.533) 4.495 13.722 ( 6.215 0.000 7.945) 10.087 13.943 ( -3.971 -0.000 6.218) 7.378 14.852 ( -4.263 -0.000 12.396) 13.108 15.316 ( -0.889 -0.000 -4.772) 4.854 16.367 ( -9.035 -0.000 5.209) 10.429 17.072 ( -5.411 -0.000 -19.521) 20.257 17.726 ( 3.197 0.000 16.594) 16.899 17.749 ( 2.209 0.000 11.737) 11.943 18.473 ( 2.266 0.000 -11.002) 11.233 18.564 ( 8.240 0.000 -9.508) 12.582 22.106 ( -8.910 -0.000 21.150) 22.950 23.034 ( -0.339 -0.000 -7.605) 7.612 27.354 ( -0.129 -0.000 15.712) 15.713 28.066 ( -19.570 -0.000 -4.515) 20.084 28.951 ( -2.975 -0.000 4.484) 5.381 29.191 ( 6.952 0.000 7.126) 9.955 29.235 ( 13.161 0.000 -6.383) 14.627 30.006 ( 19.379 0.000 -19.679) 27.620 ======================= Grid point 433 (132/186) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( -8.982 0.395 -7.644) 11.801 4.189 ( 9.065 1.862 -5.142) 10.587 4.777 ( 17.887 9.132 4.567) 20.596 4.968 ( 17.146 -14.993 10.632) 25.136 6.343 ( 29.563 -19.899 7.628) 36.443 6.807 ( 7.681 -2.795 -24.886) 26.194 7.091 ( 2.489 1.921 -15.878) 16.187 7.562 ( 7.603 -19.892 -14.973) 26.032 8.771 ( -11.698 6.504 21.406) 25.246 9.251 ( -27.861 4.693 18.447) 33.743 9.751 ( -18.218 24.694 14.703) 34.028 10.538 ( -12.686 7.986 -9.958) 17.996 10.842 ( -18.634 17.438 -12.445) 28.394 11.220 ( -0.332 1.474 -17.289) 17.354 11.742 ( 0.385 -15.120 0.860) 15.150 11.852 ( 12.951 -9.458 -4.619) 16.688 12.881 ( 6.143 7.157 8.306) 12.568 13.036 ( 2.938 -5.214 1.825) 6.257 13.787 ( 4.346 0.737 7.034) 8.301 13.945 ( -5.318 -5.727 5.976) 9.838 14.815 ( -5.660 -1.464 12.375) 13.687 15.295 ( -2.347 0.960 -4.780) 5.411 16.183 ( -8.737 9.134 7.691) 14.796 17.006 ( -4.213 1.849 -21.574) 22.060 17.730 ( -3.137 -1.846 10.332) 10.955 17.794 ( 7.022 2.044 17.433) 18.905 18.461 ( 3.704 4.603 -10.170) 11.762 18.681 ( 9.973 -2.375 -9.967) 14.298 21.979 ( -8.211 2.487 26.564) 27.916 23.082 ( -0.804 -5.193 -9.561) 10.910 27.361 ( 0.142 -0.775 13.046) 13.070 27.907 ( -16.870 -3.470 -2.046) 17.344 28.935 ( -0.531 -0.467 5.238) 5.286 29.270 ( 5.268 -1.420 6.463) 8.458 29.386 ( 11.028 -2.455 -5.297) 12.478 30.214 ( 20.453 1.114 -22.631) 30.524 ======================= Grid point 434 (133/186) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( -8.906 -4.332 5.604) 11.379 4.201 ( 7.329 5.582 7.105) 11.634 4.904 ( 20.055 -1.664 -7.702) 21.547 5.459 ( 17.396 -18.612 -0.028) 25.476 6.623 ( 3.153 6.214 -25.575) 26.507 7.070 ( 10.285 -3.483 -22.013) 24.545 7.282 ( 11.316 -20.715 7.934) 24.902 7.978 ( 0.022 -13.404 -13.856) 19.278 8.341 ( -19.588 15.058 25.289) 35.355 9.152 ( 1.744 10.534 22.531) 24.933 9.203 ( -9.558 -2.349 14.580) 17.591 10.163 ( -19.520 14.449 -11.388) 26.824 10.329 ( -8.511 21.797 -11.998) 26.296 11.241 ( 2.758 -4.386 -13.355) 14.325 12.024 ( 2.988 -12.099 2.305) 12.674 12.155 ( 5.129 -14.599 -1.023) 15.508 12.726 ( 1.197 14.434 11.766) 18.660 13.146 ( -0.216 -3.873 -1.702) 4.236 13.767 ( -3.735 -0.084 8.641) 9.414 14.017 ( -3.572 -5.995 4.179) 8.134 14.766 ( -6.816 0.230 11.873) 13.692 15.212 ( -5.565 4.219 -4.112) 8.104 15.915 ( -4.915 12.039 8.999) 15.814 16.907 ( -1.746 6.333 -26.443) 27.246 17.737 ( -1.109 -1.956 10.275) 10.519 17.832 ( 3.276 -0.900 15.564) 15.930 18.402 ( 4.216 6.273 -6.644) 10.063 18.832 ( 9.004 -2.952 -10.918) 14.456 21.894 ( -4.382 -0.499 31.252) 31.562 23.175 ( -0.894 -5.831 -11.587) 13.002 27.385 ( 0.350 -1.586 10.431) 10.556 27.839 ( -12.254 -5.500 -1.451) 13.510 28.956 ( 1.113 -1.516 5.380) 5.699 29.346 ( 2.876 -2.500 4.112) 5.607 29.531 ( 8.838 -2.068 -3.187) 9.620 30.350 ( 15.674 4.966 -22.022) 27.482 ======================= Grid point 435 (134/186) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( -7.386 -8.777 17.600) 21.008 4.205 ( 9.888 3.349 1.029) 10.490 5.167 ( 12.615 -7.005 -10.010) 17.562 5.912 ( 12.361 -12.597 -8.078) 19.410 6.490 ( -7.045 4.898 -15.623) 17.824 7.037 ( -0.239 10.045 -2.140) 10.273 7.587 ( -9.423 0.102 7.702) 12.171 7.829 ( -4.716 -1.605 -1.546) 5.216 8.239 ( -4.477 -4.252 -0.221) 6.178 8.950 ( 9.964 5.930 -3.577) 12.134 9.497 ( 5.466 0.879 5.163) 7.570 9.678 ( -21.321 12.074 -13.795) 28.119 10.119 ( 17.016 -6.932 13.295) 22.680 11.478 ( 7.499 -16.199 -7.973) 19.550 12.179 ( -0.311 1.841 9.093) 9.283 12.348 ( -4.004 3.935 4.750) 7.354 12.534 ( 6.550 -4.073 8.805) 11.705 13.081 ( -8.708 7.596 0.105) 11.556 13.776 ( -4.717 -6.378 9.615) 12.465 14.058 ( -3.232 -2.762 2.405) 4.884 14.666 ( -9.001 1.424 11.372) 14.573 15.043 ( -7.486 6.268 -4.323) 10.678 15.694 ( -1.809 8.538 6.330) 10.781 16.745 ( 0.286 10.573 -30.791) 32.557 17.786 ( 2.510 -2.286 13.593) 14.010 17.902 ( 0.013 -5.097 9.538) 10.815 18.332 ( 3.408 6.068 -2.865) 7.526 18.950 ( 5.816 -1.394 -11.884) 13.304 21.896 ( -1.260 -2.501 33.169) 33.287 23.260 ( -0.443 -4.419 -12.389) 13.161 27.418 ( -0.391 -1.993 9.204) 9.425 27.842 ( -6.166 -5.518 -1.199) 8.360 29.003 ( 1.589 -1.929 4.737) 5.356 29.415 ( 0.694 -3.091 1.633) 3.564 29.631 ( 5.978 -0.557 -2.506) 6.505 30.359 ( 9.539 8.377 -18.931) 22.794 ======================= Grid point 436 (135/186) ======================= q-point: ( 0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( -6.047 -7.756 15.065) 17.991 4.255 ( 9.086 3.737 0.367) 9.831 5.370 ( 2.818 -6.429 -3.584) 7.881 6.049 ( -3.213 2.444 -19.370) 19.786 6.321 ( -9.858 0.612 -1.209) 9.951 6.882 ( -7.731 8.309 10.789) 15.659 7.404 ( 1.769 -2.662 10.605) 11.076 7.970 ( 3.356 -4.057 -8.918) 10.356 8.329 ( -1.431 -12.717 -6.392) 14.305 8.931 ( 4.242 13.303 -11.323) 17.977 9.213 ( -14.276 9.154 -13.383) 21.603 9.465 ( 13.182 6.070 -13.425) 19.769 10.799 ( 26.654 -28.977 24.930) 46.601 11.668 ( -6.389 23.397 11.964) 27.044 11.977 ( 0.252 -14.442 8.062) 16.542 12.338 ( -1.270 3.088 -3.337) 4.721 12.723 ( 3.815 6.392 5.106) 9.027 12.811 ( -2.621 -3.414 14.203) 14.840 13.850 ( -5.242 -5.693 5.890) 9.725 14.042 ( -6.821 -0.775 2.407) 7.275 14.570 ( -9.385 -2.571 11.254) 14.878 14.892 ( -4.459 2.162 -5.915) 7.716 15.577 ( -0.967 3.522 2.764) 4.581 16.577 ( 1.814 8.488 -33.340) 34.451 17.842 ( 3.318 -0.052 17.318) 17.633 18.006 ( -0.866 -6.880 4.079) 8.045 18.259 ( 2.550 5.679 -1.127) 6.326 18.992 ( 1.786 1.129 -12.415) 12.593 21.934 ( 0.228 -1.900 33.540) 33.594 23.318 ( 0.047 -2.351 -12.582) 12.800 27.439 ( -1.729 -1.486 9.395) 9.668 27.905 ( 0.668 -4.680 -1.442) 4.942 29.044 ( 0.956 -0.855 4.263) 4.451 29.465 ( -1.150 -2.731 -0.752) 3.057 29.674 ( 3.242 0.920 -3.442) 4.817 30.266 ( 3.475 9.302 -15.285) 18.227 ======================= Grid point 437 (136/186) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -9.757 -0.040 4.476) 10.735 4.232 ( 6.658 7.368 10.715) 14.609 5.406 ( -4.197 3.085 -11.496) 12.621 5.949 ( -5.387 1.966 -7.025) 9.068 6.333 ( -9.120 -11.399 3.847) 15.097 6.575 ( -9.644 6.577 3.852) 12.292 7.716 ( 16.320 -12.603 4.650) 21.138 8.007 ( -0.135 0.120 -9.398) 9.399 8.594 ( 3.735 -4.967 -5.515) 8.309 8.710 ( 1.351 2.286 -13.261) 13.524 8.946 ( -9.509 3.515 -6.436) 12.008 9.702 ( 21.168 -6.971 -16.340) 27.635 10.871 ( -6.328 39.014 26.146) 47.390 11.611 ( 16.567 -21.604 16.412) 31.789 11.958 ( -12.054 18.433 0.062) 22.025 12.218 ( -14.504 -8.591 7.726) 18.544 12.750 ( 15.012 -0.020 3.827) 15.493 13.030 ( 11.860 -7.088 7.910) 15.920 13.806 ( -12.136 0.229 6.600) 13.816 13.994 ( -6.904 -4.384 3.976) 9.094 14.584 ( -5.098 -7.269 11.168) 14.267 14.913 ( 0.406 -6.309 -5.300) 8.250 15.532 ( -1.272 0.411 1.620) 2.100 16.518 ( 2.752 0.343 -34.076) 34.189 17.842 ( 1.321 2.829 19.909) 20.152 18.111 ( -0.634 -5.430 0.989) 5.556 18.188 ( 2.924 5.448 -1.256) 6.309 18.947 ( -2.023 3.667 -12.375) 13.064 21.958 ( 0.690 -0.165 33.359) 33.367 23.343 ( 0.373 -0.201 -12.793) 12.800 27.434 ( -2.134 -0.290 10.465) 10.684 28.016 ( 6.179 -3.718 -2.960) 7.795 29.045 ( -0.256 1.130 4.682) 4.823 29.476 ( -3.535 -0.757 -1.191) 3.806 29.671 ( 3.128 2.965 -6.589) 7.873 30.121 ( -3.040 6.795 -12.397) 14.460 ======================= Grid point 438 (137/186) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( -12.294 3.525 -4.453) 13.542 4.170 ( 4.538 5.249 24.693) 25.649 5.164 ( -5.955 17.717 -17.977) 25.934 5.787 ( -6.140 9.603 4.151) 12.130 6.342 ( -8.414 -5.576 -20.911) 23.220 6.745 ( 0.885 -18.666 4.857) 19.308 7.900 ( 4.447 2.748 -6.648) 8.457 8.035 ( 2.802 1.210 -1.077) 3.236 8.528 ( 2.983 8.965 -8.043) 12.408 8.830 ( 9.949 -11.745 1.630) 15.478 9.134 ( -2.974 -21.378 -1.897) 21.667 9.837 ( -4.616 17.611 10.518) 21.026 10.331 ( 16.012 5.807 7.107) 18.456 11.508 ( -3.547 16.247 -6.425) 17.828 12.028 ( -6.258 -8.037 10.175) 14.397 12.157 ( -7.895 -4.125 6.732) 11.165 12.832 ( 13.880 8.349 3.415) 16.553 13.190 ( 4.530 0.223 -1.965) 4.943 13.687 ( -13.115 -3.515 13.880) 19.417 14.096 ( 2.587 -8.467 4.778) 10.061 14.698 ( -0.956 -8.265 11.565) 14.247 15.070 ( 1.469 -8.874 -3.710) 9.730 15.556 ( -0.753 -5.422 4.680) 7.202 16.617 ( 2.532 -7.709 -32.608) 33.602 17.781 ( -0.515 4.068 20.958) 21.355 18.113 ( 2.986 5.932 -0.415) 6.654 18.192 ( 0.043 -3.440 -1.973) 3.966 18.829 ( -4.593 5.633 -11.847) 13.899 21.960 ( 0.968 0.548 32.811) 32.830 23.333 ( 0.519 1.830 -13.126) 13.263 27.411 ( -1.457 0.657 11.815) 11.923 28.153 ( 9.302 -2.534 -6.129) 11.424 29.006 ( -1.090 2.206 5.749) 6.253 29.412 ( -6.482 2.025 0.764) 6.834 29.625 ( 5.727 7.915 -9.767) 13.814 29.983 ( -9.160 1.361 -11.450) 14.726 ======================= Grid point 439 (138/186) ======================= q-point: (-0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -7.925 -1.785 -14.424) 16.554 4.168 ( 2.672 -1.325 36.461) 36.583 4.725 ( -5.822 23.045 -5.896) 24.489 5.512 ( -2.041 16.446 -10.243) 19.482 6.388 ( -3.530 -3.370 -27.526) 27.956 6.890 ( -3.519 1.816 -15.176) 15.684 7.644 ( 0.941 27.853 4.534) 28.235 8.252 ( 6.949 -4.794 0.615) 8.465 8.369 ( -3.275 -6.178 1.766) 7.212 9.029 ( 0.807 8.204 26.220) 27.485 9.452 ( 7.807 -26.478 -6.183) 28.288 9.766 ( -2.603 -20.818 13.419) 24.905 10.606 ( 10.551 -10.221 -7.841) 16.651 11.365 ( 9.705 3.218 -13.485) 16.923 11.864 ( -14.567 5.185 4.296) 16.048 12.138 ( -7.657 4.386 -1.334) 8.924 12.783 ( 7.671 8.387 7.309) 13.513 13.159 ( -0.458 4.029 -2.618) 4.826 13.676 ( -5.123 -4.770 16.177) 17.626 14.222 ( 3.095 -0.173 1.822) 3.596 14.825 ( 0.573 -5.521 11.946) 13.173 15.219 ( 0.606 -6.259 -3.240) 7.074 15.745 ( 1.216 -15.588 9.723) 18.412 16.810 ( 1.508 -10.888 -29.434) 31.419 17.706 ( -1.041 3.073 20.795) 21.047 18.025 ( 2.626 7.277 1.298) 7.845 18.250 ( -0.197 -3.582 -4.448) 5.715 18.672 ( -4.302 6.177 -11.075) 13.391 21.973 ( 1.142 -1.208 31.254) 31.298 23.289 ( 0.456 3.772 -13.160) 13.697 27.386 ( -0.549 0.924 13.312) 13.356 28.286 ( 8.874 -1.508 -10.653) 13.946 28.959 ( -1.134 1.536 6.690) 6.957 29.285 ( -6.299 4.319 3.190) 8.277 29.500 ( 3.437 11.382 -9.205) 15.036 29.889 ( -8.123 -0.643 -12.599) 15.004 ======================= Grid point 440 (139/186) ======================= q-point: (-0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( 0.000 -9.742 -26.152) 27.908 4.274 ( 0.000 -8.399 43.094) 43.905 4.292 ( -0.000 20.690 2.380) 20.826 5.172 ( -0.000 20.694 -16.287) 26.335 6.263 ( -0.000 17.243 -10.410) 20.142 6.744 ( -0.000 9.112 -24.137) 25.800 7.210 ( -0.000 16.306 1.837) 16.409 7.862 ( -0.000 25.292 -11.397) 27.741 8.953 ( -0.000 0.077 17.877) 17.877 9.019 ( 0.000 -41.408 18.299) 45.271 10.075 ( 0.000 -31.525 -12.958) 34.084 10.117 ( 0.000 -18.836 18.682) 26.529 10.846 ( 0.000 -12.266 -12.952) 17.839 11.498 ( 0.000 -5.786 -17.786) 18.704 11.636 ( -0.000 9.119 3.450) 9.749 11.903 ( -0.000 14.718 -2.985) 15.018 12.715 ( -0.000 2.752 9.459) 9.852 13.065 ( -0.000 6.142 -1.114) 6.242 13.699 ( -0.000 0.011 13.364) 13.364 14.172 ( -0.000 6.467 1.829) 6.720 14.890 ( 0.000 -1.572 12.106) 12.208 15.298 ( 0.000 -2.571 -3.494) 4.337 16.073 ( 0.000 -18.718 9.948) 21.197 17.000 ( 0.000 -8.933 -25.912) 27.408 17.658 ( -0.000 1.559 20.039) 20.100 17.910 ( -0.000 7.175 4.648) 8.549 18.323 ( 0.000 -4.866 -6.893) 8.438 18.550 ( -0.000 4.564 -10.333) 11.296 22.033 ( 0.000 -4.840 27.545) 27.967 23.208 ( -0.000 5.685 -12.095) 13.364 27.369 ( -0.000 0.710 15.040) 15.057 28.361 ( 0.000 -0.650 -14.042) 14.057 28.939 ( 0.000 -0.312 5.625) 5.634 29.159 ( -0.000 5.271 6.140) 8.092 29.317 ( -0.000 10.445 -6.391) 12.245 29.838 ( -0.000 1.376 -13.728) 13.797 ======================= Grid point 443 (140/186) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( -16.896 -0.000 5.517) 17.773 4.339 ( 12.889 0.000 -20.213) 23.973 4.927 ( 16.590 0.000 -2.041) 16.715 5.189 ( 24.404 0.000 18.708) 30.750 6.494 ( 40.630 0.000 14.217) 43.045 6.844 ( -1.132 -0.000 -35.427) 35.445 7.266 ( 10.749 0.000 -13.296) 17.097 7.400 ( 12.757 0.000 -14.430) 19.260 8.771 ( -3.325 -0.000 24.030) 24.259 8.885 ( -38.740 -0.000 17.839) 42.650 9.849 ( -18.125 -0.000 14.922) 23.477 10.358 ( -23.715 -0.000 -10.763) 26.043 10.827 ( -18.861 -0.000 -10.998) 21.833 11.237 ( -1.434 -0.000 -19.294) 19.347 11.542 ( -2.626 -0.000 7.355) 7.809 11.968 ( 20.275 0.000 -9.594) 22.431 12.939 ( -4.279 -0.000 2.703) 5.061 13.049 ( 5.045 0.000 3.568) 6.180 13.839 ( -5.289 -0.000 9.041) 10.474 13.843 ( 2.838 0.000 6.114) 6.740 14.730 ( -6.616 -0.000 12.739) 14.354 15.278 ( -2.939 -0.000 -5.999) 6.680 16.160 ( -10.048 -0.000 7.883) 12.771 16.973 ( -3.882 -0.000 -20.337) 20.704 17.692 ( -1.459 -0.000 13.430) 13.509 17.899 ( 7.290 0.000 17.276) 18.751 18.553 ( 5.571 0.000 -12.668) 13.839 18.767 ( 10.460 0.000 -10.246) 14.642 21.904 ( -9.301 -0.000 27.781) 29.297 23.027 ( -0.304 -0.000 -8.682) 8.687 27.354 ( 0.196 0.000 10.810) 10.812 27.711 ( -14.295 -0.000 0.522) 14.304 28.934 ( 1.277 0.000 7.321) 7.432 29.316 ( 4.771 0.000 12.141) 13.045 29.477 ( 11.040 0.000 -8.413) 13.880 30.441 ( 20.004 0.000 -26.927) 33.545 ======================= Grid point 444 (141/186) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -17.493 -4.472 12.681) 22.064 4.419 ( 13.599 6.378 -5.231) 15.905 5.137 ( 17.575 -0.662 -18.998) 25.889 5.438 ( 24.455 -4.328 17.253) 30.240 6.732 ( -6.941 5.364 -34.088) 35.199 7.104 ( 33.211 -15.051 2.058) 36.521 7.243 ( 11.044 4.917 -9.522) 15.389 7.753 ( 2.815 -13.241 -7.019) 15.248 8.382 ( -18.746 11.374 19.357) 29.248 8.923 ( -0.668 -13.908 23.215) 27.070 9.457 ( -9.467 19.018 11.669) 24.237 10.090 ( -26.361 4.223 -10.707) 28.764 10.526 ( -13.961 11.303 -11.145) 21.139 11.198 ( -1.482 -0.390 -14.012) 14.095 11.719 ( -1.617 -18.065 7.924) 19.793 12.170 ( 16.277 -0.282 -7.948) 18.116 12.880 ( -5.188 2.527 4.359) 7.233 13.066 ( -1.837 -1.585 0.650) 2.512 13.748 ( -6.175 3.543 10.489) 12.677 13.880 ( -4.182 -4.512 4.983) 7.917 14.684 ( -5.898 -1.115 11.632) 13.089 15.220 ( -4.746 2.667 -6.195) 8.247 16.008 ( -8.001 6.044 9.583) 13.870 16.940 ( -2.409 0.278 -23.099) 23.226 17.688 ( -0.458 -0.625 12.749) 12.772 17.935 ( 6.311 3.259 18.567) 19.879 18.566 ( 6.383 5.441 -11.678) 14.378 18.885 ( 9.037 -1.565 -10.963) 14.294 21.827 ( -5.863 -0.919 31.181) 31.741 23.070 ( -0.385 -4.653 -9.968) 11.008 27.364 ( 0.030 -0.750 8.086) 8.121 27.625 ( -10.442 -4.758 0.731) 11.498 28.960 ( 3.048 -0.466 8.783) 9.308 29.358 ( 2.840 -0.311 12.535) 12.856 29.599 ( 9.959 -1.008 -7.394) 12.444 30.593 ( 15.168 3.799 -27.493) 31.629 ======================= Grid point 445 (142/186) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -13.482 -10.978 18.409) 25.321 4.420 ( 13.326 8.049 4.632) 16.242 5.312 ( 19.672 2.300 -18.650) 27.205 5.801 ( 11.640 -11.786 4.895) 17.273 6.520 ( -10.928 7.208 -28.292) 31.174 7.146 ( -1.839 7.297 -7.322) 10.500 7.548 ( -9.988 4.757 11.799) 16.174 7.757 ( 9.622 -8.027 -1.270) 12.595 8.216 ( -1.013 3.622 6.380) 7.406 9.128 ( 5.958 2.298 -6.076) 8.815 9.414 ( 16.272 -15.632 19.534) 29.845 9.674 ( -22.657 12.187 -11.392) 28.136 10.260 ( 0.965 6.006 -3.178) 6.863 11.283 ( 1.144 -10.021 -8.316) 13.073 12.050 ( 0.248 -18.927 7.386) 20.318 12.299 ( 8.067 0.201 -1.395) 8.189 12.719 ( -1.576 10.560 8.274) 13.508 13.059 ( -7.524 -0.365 0.268) 7.538 13.632 ( -7.621 -0.424 11.263) 13.606 13.908 ( -9.339 -6.470 2.674) 11.671 14.605 ( -8.393 2.590 10.520) 13.705 15.082 ( -6.031 6.035 -6.478) 10.713 15.807 ( -5.565 8.074 9.684) 13.782 16.891 ( -0.210 4.612 -28.363) 28.736 17.721 ( 0.393 -3.708 10.735) 11.364 17.939 ( 5.827 2.893 19.341) 20.406 18.503 ( 5.344 8.130 -8.475) 12.903 18.989 ( 5.910 -1.130 -11.631) 13.095 21.827 ( -1.949 -3.375 33.345) 33.572 23.163 ( -0.266 -5.823 -11.281) 12.698 27.375 ( -1.532 -1.411 6.859) 7.168 27.661 ( -4.958 -7.954 -0.771) 9.405 29.009 ( 4.039 -0.713 9.207) 10.079 29.386 ( 0.416 -1.070 11.457) 11.514 29.699 ( 7.616 0.223 -6.563) 10.056 30.611 ( 9.411 8.336 -25.156) 28.123 ======================= Grid point 446 (143/186) ======================= q-point: ( 0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( -7.791 -14.115 18.089) 24.231 4.431 ( 12.179 5.737 5.045) 14.377 5.408 ( 8.337 5.447 -2.086) 10.174 5.954 ( -10.358 -4.095 -0.388) 11.145 6.317 ( -3.838 4.998 -31.700) 32.320 6.922 ( -13.666 10.244 3.440) 17.422 7.361 ( -0.630 -2.747 14.680) 14.948 7.996 ( 7.961 -0.317 -3.273) 8.613 8.178 ( 2.750 -4.380 -1.690) 5.441 9.163 ( 5.047 5.428 -15.763) 17.419 9.222 ( -17.540 11.903 -9.328) 23.160 9.671 ( 9.444 1.914 -13.903) 16.916 10.619 ( 29.536 -24.555 21.701) 44.116 11.542 ( -1.198 -16.698 -2.205) 16.886 12.174 ( 0.007 18.451 11.820) 21.913 12.371 ( 3.120 -8.284 2.203) 9.122 12.638 ( 4.814 -4.048 7.905) 10.102 12.876 ( -8.199 8.189 9.420) 14.934 13.638 ( -8.573 -8.267 8.747) 14.777 13.906 ( -11.952 -4.821 1.691) 12.998 14.436 ( -12.133 2.441 10.635) 16.318 14.917 ( -4.100 5.777 -8.551) 11.105 15.637 ( -3.351 5.492 6.968) 9.484 16.767 ( 1.339 9.463 -32.260) 33.645 17.827 ( 1.603 -6.460 8.212) 10.571 17.954 ( 4.037 1.328 19.113) 19.580 18.405 ( 3.490 7.751 -5.626) 10.193 19.035 ( 2.499 0.954 -12.117) 12.408 21.886 ( 0.147 -3.771 33.890) 34.099 23.256 ( 0.053 -4.642 -11.913) 12.785 27.385 ( -2.358 -1.971 7.493) 8.099 27.787 ( -0.101 -8.781 -3.014) 9.284 29.060 ( 4.055 -0.072 9.351) 10.193 29.403 ( -2.344 -1.942 9.340) 9.823 29.744 ( 5.108 1.887 -6.816) 8.724 30.502 ( 4.420 11.745 -21.796) 25.151 ======================= Grid point 447 (144/186) ======================= q-point: (-0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( -4.859 -6.433 10.149) 12.961 4.437 ( 8.674 7.055 6.082) 12.728 5.312 ( -9.943 -0.729 13.466) 16.756 5.916 ( -1.189 -0.642 -3.668) 3.908 6.216 ( -5.076 3.512 -25.090) 25.838 6.579 ( -13.173 8.026 2.443) 15.618 7.613 ( 11.466 -13.893 6.900) 19.290 7.983 ( -3.694 -1.018 -3.216) 5.002 8.419 ( 10.176 -10.674 -6.811) 16.244 8.863 ( -8.288 10.320 -4.370) 13.939 9.027 ( -4.685 10.123 -18.726) 21.796 9.817 ( 16.745 -3.122 -17.719) 24.579 11.340 ( 22.332 -13.567 16.171) 30.730 11.600 ( 1.760 20.772 14.595) 25.448 11.846 ( -9.832 -6.715 10.243) 15.706 12.251 ( -6.326 18.615 -0.127) 19.661 12.772 ( 1.117 -11.143 14.247) 18.121 13.003 ( 17.139 -10.748 10.002) 22.568 13.660 ( -12.285 -3.015 5.897) 13.957 13.809 ( -14.304 -2.399 3.959) 15.035 14.367 ( -8.458 -7.682 10.217) 15.328 14.834 ( -1.446 -0.641 -9.284) 9.418 15.545 ( -1.710 2.353 3.487) 4.541 16.622 ( 1.989 7.690 -34.274) 35.182 17.916 ( 3.303 1.948 18.435) 18.830 17.999 ( -0.220 -5.915 6.666) 8.915 18.312 ( 2.441 5.959 -4.479) 7.844 19.005 ( -0.196 3.731 -12.273) 12.829 21.945 ( 0.633 -2.145 33.670) 33.745 23.322 ( 0.257 -2.541 -12.292) 12.555 27.395 ( -1.960 -1.596 9.076) 9.421 27.956 ( 3.076 -8.397 -5.477) 10.486 29.082 ( 2.774 1.831 10.616) 11.124 29.405 ( -4.412 -2.084 5.441) 7.308 29.749 ( 3.684 2.155 -7.584) 8.702 30.301 ( 0.329 13.424 -18.589) 22.932 ======================= Grid point 448 (145/186) ======================= q-point: (-0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( -5.320 5.243 2.606) 7.911 4.346 ( 3.539 9.360 15.385) 18.353 5.297 ( -4.444 -0.655 -12.059) 12.869 5.859 ( -2.477 6.240 19.521) 20.643 6.148 ( -5.221 -5.456 -15.910) 17.611 6.493 ( -1.243 -7.445 -6.122) 9.718 7.898 ( 2.514 -4.103 -8.702) 9.944 8.031 ( 1.624 -7.483 -2.402) 8.025 8.674 ( 2.671 -7.756 -15.493) 17.531 8.745 ( 1.146 5.336 -3.034) 6.244 8.835 ( -1.653 -4.702 2.402) 5.533 10.025 ( 8.082 -0.813 -15.573) 17.564 10.849 ( 2.924 39.426 26.948) 47.845 11.789 ( -3.978 8.374 5.461) 10.760 11.834 ( -0.643 0.607 2.155) 2.330 11.984 ( -1.913 -8.443 5.088) 10.041 13.042 ( 14.975 -7.091 14.189) 21.814 13.262 ( 7.519 -0.180 3.900) 8.472 13.461 ( -18.704 2.446 9.289) 21.027 13.875 ( -3.689 -15.571 5.465) 16.910 14.494 ( -2.739 -11.767 10.462) 15.981 14.914 ( -0.105 -8.359 -6.709) 10.719 15.508 ( -0.817 0.249 2.604) 2.740 16.568 ( 1.497 0.064 -34.446) 34.479 17.863 ( 0.563 5.054 22.546) 23.112 18.104 ( -0.096 -5.075 0.278) 5.084 18.244 ( 1.856 4.571 -3.498) 6.048 18.906 ( -1.416 6.224 -12.089) 13.670 21.971 ( 0.427 -0.269 33.255) 33.259 23.350 ( 0.232 -0.336 -12.766) 12.772 27.399 ( -0.979 -0.567 10.817) 10.876 28.133 ( 3.764 -7.232 -8.419) 11.719 29.052 ( 0.698 3.358 12.276) 12.746 29.379 ( -3.983 0.268 1.655) 4.322 29.761 ( 3.966 0.610 -8.654) 9.539 30.046 ( -3.256 13.481 -15.715) 20.960 ======================= Grid point 449 (146/186) ======================= q-point: (-0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -0.000 4.876 -4.461) 6.609 4.222 ( -0.000 5.722 27.527) 28.115 5.090 ( -0.000 19.376 -16.981) 25.764 5.728 ( -0.000 8.854 5.516) 10.432 6.254 ( 0.000 -8.299 -24.977) 26.320 6.747 ( 0.000 -16.142 0.821) 16.163 7.957 ( 0.000 -8.079 -1.366) 8.193 8.045 ( -0.000 12.127 -6.362) 13.695 8.551 ( -0.000 10.024 -7.302) 12.402 8.976 ( 0.000 -24.735 -17.093) 30.066 9.097 ( 0.000 -12.948 17.946) 22.129 9.767 ( -0.000 25.342 20.483) 32.585 10.549 ( 0.000 -0.851 1.255) 1.516 11.537 ( -0.000 11.081 -8.961) 14.251 11.825 ( -0.000 0.218 8.318) 8.321 12.109 ( 0.000 -3.480 0.501) 3.516 13.052 ( -0.000 14.466 2.753) 14.726 13.235 ( -0.000 4.650 -0.592) 4.688 13.471 ( 0.000 -13.739 21.664) 25.653 14.137 ( 0.000 -11.659 3.600) 12.202 14.685 ( 0.000 -10.285 11.362) 15.326 15.080 ( 0.000 -9.392 -4.236) 10.303 15.548 ( 0.000 -6.429 5.873) 8.708 16.647 ( 0.000 -7.591 -32.503) 33.377 17.774 ( -0.000 4.875 22.228) 22.756 18.141 ( -0.000 3.142 -1.178) 3.356 18.203 ( 0.000 -1.016 -2.891) 3.064 18.774 ( -0.000 7.317 -11.672) 13.776 21.971 ( -0.000 0.202 32.625) 32.626 23.339 ( -0.000 1.711 -13.218) 13.328 27.395 ( -0.000 0.408 12.264) 12.271 28.268 ( 0.000 -5.111 -11.180) 12.293 28.994 ( -0.000 3.063 11.443) 11.846 29.323 ( -0.000 3.230 1.278) 3.474 29.763 ( -0.000 14.471 -13.281) 19.641 29.815 ( 0.000 -2.165 -9.836) 10.072 ======================= Grid point 454 (147/186) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -18.223 -0.000 17.819) 25.487 4.652 ( 17.311 0.000 -11.891) 21.002 5.263 ( 15.799 0.000 -8.661) 18.017 5.695 ( 23.282 0.000 11.002) 25.751 6.653 ( -14.966 -0.000 -37.676) 40.540 7.345 ( 36.316 0.000 4.070) 36.543 7.508 ( 12.680 0.000 -17.900) 21.936 7.572 ( -7.215 -0.000 10.897) 13.069 8.335 ( -7.803 -0.000 8.048) 11.210 8.813 ( 8.261 0.000 25.720) 27.014 9.553 ( -7.905 -0.000 7.618) 10.978 9.830 ( -24.399 -0.000 -9.366) 26.135 10.448 ( -17.309 -0.000 -9.850) 19.916 11.202 ( -1.016 -0.000 -18.409) 18.437 11.503 ( -2.125 -0.000 17.716) 17.843 12.346 ( 13.828 0.000 -9.739) 16.913 12.805 ( -7.482 -0.000 1.245) 7.585 13.020 ( -5.369 -0.000 -2.709) 6.013 13.747 ( -4.264 -0.000 10.902) 11.706 13.749 ( -12.073 -0.000 8.654) 14.854 14.634 ( -2.299 -0.000 10.266) 10.521 15.202 ( -4.097 -0.000 -7.581) 8.617 15.980 ( -7.226 -0.000 10.498) 12.745 16.904 ( -3.166 -0.000 -21.504) 21.736 17.698 ( 2.072 0.000 14.591) 14.738 18.022 ( 4.618 0.000 19.616) 20.152 18.693 ( 7.626 0.000 -14.066) 16.001 18.959 ( 7.610 0.000 -11.574) 13.851 21.759 ( -4.643 -0.000 32.427) 32.757 23.024 ( 0.023 0.000 -9.436) 9.436 27.363 ( 0.633 0.000 5.348) 5.386 27.479 ( -8.493 -0.000 1.879) 8.698 28.997 ( 4.676 0.000 11.377) 12.300 29.376 ( 0.947 0.000 16.777) 16.803 29.697 ( 10.150 0.000 -9.002) 13.567 30.769 ( 11.661 0.000 -29.774) 31.976 ======================= Grid point 455 (148/186) ======================= q-point: ( 0.40 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -14.279 -7.299 21.382) 26.727 4.745 ( 18.107 9.149 -0.129) 20.287 5.490 ( 15.939 -5.745 -20.007) 26.217 5.852 ( 12.244 4.276 14.377) 19.362 6.468 ( -14.980 2.070 -38.186) 41.072 7.311 ( -3.411 11.272 2.520) 12.043 7.505 ( -11.992 5.482 3.093) 13.543 7.820 ( 28.538 -6.703 1.541) 29.355 8.277 ( -1.946 3.452 7.318) 8.322 9.070 ( 8.441 -13.259 6.789) 17.122 9.453 ( 7.246 2.947 3.087) 8.410 9.610 ( -14.669 3.051 -8.930) 17.442 10.282 ( -6.852 0.537 -4.067) 7.986 11.188 ( 1.081 -1.423 -10.084) 10.241 11.673 ( -3.508 -18.770 14.093) 23.733 12.408 ( 2.121 1.817 -5.053) 5.773 12.754 ( -4.782 -1.122 2.960) 5.735 12.994 ( -0.084 -0.060 -1.794) 1.797 13.584 ( -11.959 2.142 9.885) 15.663 13.703 ( -10.157 -2.003 6.410) 12.177 14.594 ( -3.269 2.789 9.099) 10.063 15.124 ( -3.971 4.022 -8.053) 9.838 15.865 ( -5.604 5.249 11.500) 13.828 16.896 ( -1.968 -1.764 -24.337) 24.480 17.714 ( 2.565 0.713 14.101) 14.350 18.042 ( 3.949 2.149 20.974) 21.450 18.708 ( 6.848 6.821 -13.579) 16.667 19.029 ( 4.774 -0.548 -11.701) 12.650 21.749 ( -1.907 -2.793 33.842) 34.011 23.067 ( 0.062 -4.386 -10.093) 11.005 27.348 ( -1.880 0.592 4.263) 4.697 27.484 ( -3.307 -6.816 0.499) 7.593 29.053 ( 5.646 -0.208 12.653) 13.857 29.375 ( -1.176 -0.011 17.473) 17.512 29.790 ( 8.210 0.587 -8.707) 11.982 30.821 ( 7.283 5.182 -29.011) 30.356 ======================= Grid point 456 (149/186) ======================= q-point: ( 0.50 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -8.496 -14.917 22.009) 27.912 4.742 ( 17.965 11.538 7.383) 22.591 5.677 ( 1.642 14.169 7.422) 16.079 5.767 ( -1.260 -6.992 -9.081) 11.530 6.333 ( -5.852 1.855 -43.656) 44.086 7.030 ( -8.915 16.053 -2.586) 18.544 7.309 ( -2.821 -0.574 21.002) 21.199 8.079 ( 1.507 3.774 3.415) 5.309 8.224 ( 13.699 -1.275 1.476) 13.837 9.162 ( -12.826 1.193 -15.931) 20.487 9.310 ( -4.919 8.230 -9.011) 13.158 9.738 ( 12.287 -5.227 -14.496) 19.709 10.494 ( 19.960 -19.806 15.821) 32.264 11.311 ( 2.977 -9.377 -2.717) 10.207 12.000 ( -7.703 -22.652 11.545) 26.566 12.376 ( -1.754 1.561 4.310) 4.908 12.743 ( 5.669 2.696 4.711) 7.848 12.948 ( -0.478 6.521 6.259) 9.052 13.455 ( -10.330 -1.060 7.790) 12.981 13.646 ( -13.521 -6.574 1.391) 15.099 14.440 ( -6.845 8.198 9.418) 14.239 14.996 ( -2.279 6.283 -9.545) 11.653 15.703 ( -3.956 6.545 11.176) 13.542 16.887 ( -0.190 2.641 -30.141) 30.257 17.748 ( 1.760 -2.835 12.698) 13.129 18.040 ( 3.573 2.445 22.044) 22.465 18.608 ( 4.399 10.278 -11.544) 16.070 19.069 ( 2.062 0.164 -11.709) 11.890 21.809 ( -0.082 -4.718 34.380) 34.703 23.162 ( 0.091 -5.816 -10.931) 12.382 27.332 ( -2.067 -1.205 5.259) 5.778 27.614 ( -0.548 -9.671 -2.706) 10.057 29.117 ( 6.189 0.064 13.276) 14.648 29.353 ( -3.640 -0.316 15.883) 16.298 29.835 ( 5.198 2.117 -8.267) 9.992 30.741 ( 3.556 10.015 -26.620) 28.663 ======================= Grid point 457 (150/186) ======================= q-point: ( 0.60 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( -3.159 -17.209 17.262) 24.578 4.704 ( 12.995 11.690 5.949) 18.464 5.288 ( -15.516 11.528 28.934) 34.797 5.942 ( 11.542 -1.633 -17.808) 21.284 6.212 ( -9.836 3.075 -35.698) 37.155 6.652 ( -7.742 13.773 -4.505) 16.430 7.473 ( 6.434 -12.537 18.597) 23.333 7.947 ( -5.327 4.090 -2.250) 7.083 8.441 ( 14.242 -3.423 3.206) 14.994 8.915 ( -11.826 7.636 -12.713) 18.968 9.140 ( -3.479 8.040 -20.041) 21.872 9.901 ( 8.588 -2.790 -20.106) 22.041 11.151 ( 14.998 -26.282 13.577) 33.167 11.532 ( 4.084 -10.649 1.325) 11.482 12.179 ( -0.643 17.257 12.146) 21.113 12.301 ( -7.351 -14.274 12.551) 20.379 12.623 ( -3.677 12.618 13.375) 18.751 13.010 ( 17.495 -8.511 10.093) 21.918 13.409 ( -14.438 -8.017 6.426) 17.721 13.648 ( -9.184 -4.145 -0.875) 10.114 14.241 ( -5.403 3.818 10.348) 12.282 14.871 ( -0.869 5.451 -11.281) 12.559 15.580 ( -1.629 3.907 7.833) 8.904 16.787 ( 0.547 8.266 -33.565) 34.572 17.854 ( 0.852 -7.089 8.480) 11.086 18.020 ( 1.837 3.255 22.894) 23.197 18.464 ( 1.792 8.994 -8.945) 12.811 19.061 ( 0.378 2.239 -11.941) 12.155 21.893 ( 0.326 -4.213 34.161) 34.422 23.259 ( 0.110 -4.754 -11.572) 12.511 27.345 ( -1.124 -2.006 7.021) 7.388 27.799 ( 0.627 -10.861 -5.769) 12.314 29.162 ( 5.143 2.207 16.027) 16.976 29.323 ( -4.691 -1.858 9.812) 11.034 29.827 ( 2.367 2.945 -7.778) 8.647 30.553 ( 0.978 13.486 -23.733) 27.314 ======================= Grid point 458 (151/186) ======================= q-point: (-0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 0.000 -5.147 8.533) 9.965 4.557 ( -0.000 11.865 7.338) 13.951 5.143 ( 0.000 -5.406 22.102) 22.753 6.016 ( -0.000 8.721 -2.372) 9.038 6.060 ( 0.000 -1.343 -16.333) 16.388 6.453 ( -0.000 3.834 -15.926) 16.381 7.787 ( 0.000 -16.516 10.693) 19.676 7.878 ( 0.000 -0.682 -9.226) 9.252 8.617 ( 0.000 -7.465 10.929) 13.235 8.711 ( -0.000 6.550 -20.221) 21.256 8.966 ( -0.000 9.551 -16.022) 18.653 10.013 ( 0.000 -4.270 -20.382) 20.824 11.584 ( 0.000 -14.978 9.005) 17.476 11.611 ( -0.000 40.821 21.459) 46.118 11.770 ( 0.000 -13.096 1.977) 13.244 12.181 ( -0.000 20.217 2.830) 20.414 12.763 ( 0.000 -24.160 27.796) 36.828 13.300 ( 0.000 -4.065 8.625) 9.535 13.519 ( 0.000 -17.812 5.562) 18.660 13.532 ( -0.000 9.529 0.527) 9.544 14.275 ( 0.000 -9.596 9.696) 13.642 14.821 ( 0.000 -1.189 -10.322) 10.391 15.525 ( -0.000 1.880 3.866) 4.298 16.644 ( -0.000 7.150 -34.820) 35.547 17.957 ( -0.000 4.755 23.339) 23.819 17.992 ( 0.000 -7.360 3.523) 8.160 18.342 ( -0.000 5.900 -6.177) 8.542 19.000 ( -0.000 4.737 -12.109) 13.002 21.953 ( 0.000 -2.184 33.686) 33.757 23.325 ( 0.000 -2.613 -12.169) 12.447 27.373 ( 0.000 -1.666 9.064) 9.216 27.993 ( 0.000 -10.154 -8.054) 12.960 29.127 ( -0.000 4.075 17.359) 17.831 29.339 ( 0.000 -2.227 3.214) 3.910 29.793 ( -0.000 1.814 -7.312) 7.533 30.300 ( -0.000 15.273 -20.515) 25.575 ======================= Grid point 465 (152/186) ======================= q-point: ( 0.40 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( -10.730 -0.000 23.727) 26.041 5.045 ( 20.943 0.000 -1.138) 20.974 5.555 ( 11.644 0.000 -9.853) 15.254 5.974 ( -6.468 -0.000 13.328) 14.814 6.363 ( -3.666 -0.000 -49.362) 49.498 7.320 ( -7.907 -0.000 27.492) 28.607 7.551 ( -1.609 -0.000 -22.031) 22.089 8.072 ( 28.680 0.000 3.257) 28.864 8.258 ( -7.410 -0.000 11.341) 13.547 8.972 ( -2.536 -0.000 9.302) 9.642 9.491 ( -4.526 -0.000 -9.782) 10.778 9.610 ( 10.843 0.000 -10.828) 15.324 10.206 ( -3.676 -0.000 2.090) 4.229 11.226 ( 3.545 0.000 -15.907) 16.297 11.425 ( -5.461 -0.000 22.568) 23.219 12.359 ( -11.687 -0.000 -4.738) 12.610 12.678 ( -4.148 -0.000 7.074) 8.200 13.070 ( 11.845 0.000 -5.857) 13.214 13.434 ( -15.421 -0.000 7.780) 17.273 13.621 ( -8.639 -0.000 6.890) 11.050 14.609 ( -0.689 -0.000 8.069) 8.098 15.126 ( -2.904 -0.000 -8.623) 9.098 15.871 ( -3.384 -0.000 11.899) 12.370 16.845 ( -2.248 -0.000 -21.512) 21.629 17.758 ( 2.992 0.000 14.245) 14.556 18.089 ( 1.940 0.000 21.914) 22.000 18.842 ( 6.161 0.000 -15.377) 16.566 19.064 ( 2.643 0.000 -11.734) 12.028 21.706 ( -0.961 -0.000 34.427) 34.440 23.027 ( 0.188 0.000 -9.603) 9.605 27.353 ( -3.925 -0.000 2.145) 4.473 27.377 ( 0.580 0.000 1.317) 1.440 29.111 ( 5.923 0.000 14.168) 15.356 29.356 ( -2.635 -0.000 20.321) 20.491 29.874 ( 6.581 0.000 -9.266) 11.365 30.929 ( 4.410 0.000 -30.139) 30.460 ======================= Grid point 466 (153/186) ======================= q-point: ( 0.50 0.40 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -5.257 -8.614 24.608) 26.597 5.161 ( 22.201 10.869 6.002) 25.437 5.611 ( -14.854 3.522 10.728) 18.659 5.865 ( 1.908 -4.110 -10.931) 11.832 6.338 ( 0.502 4.526 -53.596) 53.789 7.250 ( 1.033 5.740 21.585) 22.359 7.330 ( -6.392 14.299 -1.573) 15.742 8.142 ( -4.246 3.860 7.169) 9.182 8.375 ( 20.243 -1.973 5.909) 21.180 8.951 ( -16.162 -6.439 -3.865) 17.821 9.418 ( -0.168 6.777 -19.265) 20.423 9.766 ( 9.187 -4.542 -17.896) 20.623 10.328 ( 7.526 -13.661 14.891) 21.564 11.269 ( 7.230 -2.557 -5.855) 9.649 11.538 ( -9.684 -15.992 15.479) 24.272 12.275 ( -7.560 -4.503 -0.575) 8.818 12.716 ( 0.208 -6.961 12.411) 14.231 13.127 ( 6.210 8.598 2.332) 10.860 13.335 ( -4.582 -3.330 -0.374) 5.677 13.499 ( -10.594 2.069 3.248) 11.272 14.541 ( -1.615 6.805 8.227) 10.798 15.070 ( -1.255 3.642 -9.327) 10.092 15.787 ( -1.946 5.867 12.632) 14.064 16.865 ( -0.857 -3.146 -24.652) 24.867 17.764 ( 1.593 1.548 14.181) 14.354 18.095 ( 1.224 0.968 22.769) 22.822 18.820 ( 3.329 7.892 -15.329) 17.559 19.083 ( 0.898 -0.224 -11.214) 11.252 21.732 ( -0.129 -3.419 34.754) 34.922 23.069 ( 0.104 -4.294 -9.980) 10.865 27.307 ( -1.322 0.491 3.268) 3.559 27.458 ( -0.198 -7.081 -1.199) 7.184 29.174 ( 5.446 -0.601 13.887) 14.929 29.318 ( -3.815 0.723 21.056) 21.411 29.914 ( 3.342 1.471 -9.063) 9.771 30.910 ( 1.859 5.689 -29.265) 29.871 ======================= Grid point 467 (154/186) ======================= q-point: (-0.40 -0.60 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 0.000 -16.190 22.990) 28.119 5.066 ( -0.000 16.881 -1.726) 16.969 5.351 ( -0.000 7.368 37.809) 38.520 6.018 ( 0.000 -4.416 -18.407) 18.930 6.199 ( -0.000 7.385 -54.335) 54.834 6.910 ( -0.000 19.624 -6.330) 20.620 7.327 ( 0.000 -6.554 29.639) 30.355 8.021 ( -0.000 6.513 0.521) 6.534 8.507 ( 0.000 -0.169 10.370) 10.372 8.907 ( -0.000 0.146 -15.280) 15.280 9.270 ( -0.000 8.655 -22.046) 23.684 9.888 ( 0.000 -3.692 -21.200) 21.519 10.758 ( 0.000 -25.921 15.563) 30.234 11.427 ( 0.000 -6.908 -5.719) 8.968 11.793 ( 0.000 -22.853 22.154) 31.829 12.345 ( 0.000 -3.393 4.446) 5.592 12.905 ( -0.000 16.476 7.994) 18.313 12.921 ( 0.000 -13.344 14.286) 19.548 13.306 ( -0.000 6.784 2.810) 7.343 13.476 ( 0.000 -8.343 -3.973) 9.241 14.363 ( -0.000 10.708 9.418) 14.261 14.976 ( -0.000 6.149 -10.782) 12.412 15.661 ( -0.000 6.276 11.914) 13.465 16.885 ( -0.000 1.797 -30.754) 30.806 17.770 ( 0.000 -2.330 13.341) 13.543 18.077 ( -0.000 1.955 23.181) 23.263 18.658 ( -0.000 11.228 -13.024) 17.196 19.087 ( -0.000 0.504 -11.445) 11.456 21.810 ( 0.000 -5.033 34.631) 34.995 23.163 ( 0.000 -5.816 -10.758) 12.229 27.309 ( 0.000 -1.271 4.949) 5.110 27.611 ( 0.000 -10.152 -3.881) 10.869 29.243 ( 0.000 -2.360 9.915) 10.192 29.253 ( -0.000 2.722 22.157) 22.324 29.892 ( -0.000 2.757 -8.481) 8.918 30.774 ( -0.000 10.511 -27.111) 29.078 ======================= Grid point 478 (155/186) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 0.000 0.000 25.289) 25.289 5.441 ( -0.000 -0.000 25.909) 25.909 5.626 ( 0.000 0.000 -15.578) 15.578 5.686 ( 0.000 0.000 -9.318) 9.318 6.409 ( 0.000 0.000 -53.564) 53.564 7.275 ( 0.000 0.000 38.753) 38.753 7.510 ( 0.000 0.000 -23.729) 23.729 8.133 ( 0.000 0.000 14.088) 14.088 8.512 ( 0.000 0.000 10.300) 10.300 8.743 ( -0.000 -0.000 -1.014) 1.014 9.497 ( 0.000 0.000 -24.078) 24.078 9.763 ( 0.000 0.000 -19.408) 19.408 10.232 ( 0.000 0.000 17.022) 17.022 11.293 ( 0.000 0.000 -13.674) 13.674 11.342 ( 0.000 0.000 21.238) 21.238 12.171 ( 0.000 0.000 -2.639) 2.639 12.639 ( 0.000 0.000 17.609) 17.609 13.250 ( 0.000 0.000 2.016) 2.016 13.308 ( 0.000 0.000 -5.860) 5.860 13.437 ( 0.000 0.000 4.665) 4.665 14.601 ( 0.000 0.000 7.643) 7.643 15.094 ( 0.000 0.000 -8.910) 8.910 15.837 ( 0.000 0.000 12.236) 12.236 16.821 ( 0.000 0.000 -21.372) 21.372 17.793 ( 0.000 0.000 13.780) 13.780 18.107 ( 0.000 0.000 22.968) 22.968 18.913 ( -0.000 -0.000 -16.631) 16.631 19.084 ( 0.000 0.000 -10.809) 10.809 21.699 ( 0.000 0.000 34.860) 34.860 23.029 ( 0.000 0.000 -9.567) 9.567 27.314 ( 0.000 0.000 2.174) 2.174 27.383 ( 0.000 0.000 -0.146) 0.146 29.199 ( 0.000 0.000 12.705) 12.705 29.303 ( 0.000 0.000 24.060) 24.060 29.945 ( 0.000 0.000 -9.322) 9.322 30.971 ( 0.000 0.000 -30.070) 30.070 ======================= Grid point 525 (156/186) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 0.000 0.000 -17.923) 17.923 3.413 ( 0.000 0.000 -19.719) 19.719 5.182 ( 0.000 0.000 40.299) 40.299 5.336 ( 0.000 0.000 32.491) 32.491 5.735 ( 0.000 0.000 -7.711) 7.711 5.925 ( 0.000 0.000 -35.755) 35.755 6.924 ( 0.000 0.000 -6.788) 6.788 6.959 ( 0.000 0.000 -12.052) 12.052 9.526 ( 0.000 0.000 38.445) 38.445 10.262 ( 0.000 0.000 -32.224) 32.224 10.286 ( 0.000 0.000 11.859) 11.859 10.512 ( 0.000 0.000 -11.248) 11.248 11.085 ( 0.000 0.000 12.117) 12.117 11.380 ( 0.000 0.000 -15.458) 15.458 11.395 ( 0.000 0.000 3.588) 3.588 11.463 ( 0.000 0.000 -3.316) 3.316 12.839 ( 0.000 0.000 4.248) 4.248 12.885 ( 0.000 0.000 -0.639) 0.639 13.847 ( 0.000 0.000 9.645) 9.645 13.992 ( 0.000 0.000 -4.358) 4.358 15.093 ( 0.000 0.000 8.565) 8.565 15.229 ( 0.000 0.000 -5.680) 5.680 16.582 ( 0.000 0.000 7.774) 7.774 16.794 ( 0.000 0.000 -14.585) 14.585 17.978 ( 0.000 0.000 16.067) 16.067 17.994 ( 0.000 0.000 12.514) 12.514 18.234 ( 0.000 0.000 -12.100) 12.100 18.257 ( 0.000 0.000 -12.747) 12.747 22.545 ( 0.000 0.000 16.829) 16.829 22.839 ( 0.000 0.000 -13.192) 13.192 27.713 ( 0.000 0.000 18.716) 18.716 28.062 ( 0.000 0.000 -16.956) 16.956 29.027 ( 0.000 0.000 0.726) 0.726 29.043 ( 0.000 0.000 -0.820) 0.820 29.247 ( 0.000 0.000 12.088) 12.088 29.504 ( 0.000 0.000 -14.287) 14.287 ======================= Grid point 526 (157/186) ======================= q-point: ( 0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 5.751 0.424 -7.791) 9.693 3.581 ( 5.571 -10.772 -26.307) 28.968 5.207 ( -3.768 4.817 34.773) 35.306 5.317 ( 4.755 -5.684 33.633) 34.440 5.841 ( 10.645 -2.193 -17.286) 20.419 6.049 ( 9.325 -7.899 -32.030) 34.282 6.982 ( -0.766 -12.522 3.431) 13.006 7.183 ( 0.437 -19.853 -14.945) 24.853 9.500 ( -5.448 0.526 36.519) 36.926 9.934 ( -12.088 18.906 9.035) 24.191 10.174 ( -6.129 19.733 -11.470) 23.633 10.393 ( 10.870 13.196 -22.453) 28.221 10.884 ( -15.772 10.093 10.128) 21.289 11.165 ( -20.326 7.084 -14.684) 26.057 11.590 ( 10.306 -11.162 2.144) 15.343 11.648 ( 8.027 -11.874 -3.300) 14.708 12.874 ( 5.147 -0.237 5.896) 7.830 12.953 ( 4.216 -3.306 -2.203) 5.793 13.887 ( 0.863 -3.411 9.743) 10.359 14.033 ( -1.194 -4.659 -4.489) 6.579 15.091 ( -1.376 -0.367 8.686) 8.801 15.228 ( -0.803 -0.118 -5.674) 5.732 16.479 ( -3.983 8.832 9.266) 13.406 16.719 ( -3.306 6.328 -15.979) 17.501 17.987 ( -1.149 0.079 11.899) 11.955 18.008 ( 2.661 -0.714 14.694) 14.950 18.219 ( 1.012 1.560 -10.370) 10.535 18.299 ( 5.133 -1.928 -12.731) 13.862 22.523 ( -2.068 0.728 19.484) 19.607 22.860 ( -0.907 -2.625 -15.108) 15.361 27.693 ( -2.438 0.492 17.621) 17.796 28.018 ( -7.072 0.015 -15.492) 17.030 29.029 ( 0.491 -0.306 3.337) 3.387 29.097 ( 1.961 -3.694 -3.660) 5.558 29.314 ( 7.195 -2.825 11.424) 13.793 29.567 ( 7.658 -2.266 -14.439) 16.500 ======================= Grid point 527 (158/186) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 11.487 -5.796 4.402) 13.598 3.890 ( 9.515 -14.807 -30.910) 35.569 5.028 ( -3.329 8.914 36.915) 38.122 5.512 ( -0.356 -9.119 7.865) 12.047 5.987 ( 15.112 -1.633 -10.810) 18.652 6.348 ( 13.190 -11.558 -27.543) 32.653 7.335 ( 1.306 -23.897 10.790) 26.252 7.602 ( 1.743 -23.740 -15.854) 28.600 9.208 ( -14.079 24.178 23.434) 36.495 9.553 ( -10.603 18.514 -1.526) 21.390 9.710 ( 0.273 13.858 19.865) 24.223 10.194 ( -1.815 16.902 -14.213) 22.158 10.514 ( -17.902 9.506 6.534) 21.296 10.865 ( -12.169 1.652 -22.241) 25.406 11.919 ( 11.116 -12.934 3.410) 17.392 11.991 ( 9.848 -15.160 -3.606) 18.434 12.897 ( 1.620 3.097 8.700) 9.376 13.032 ( 2.538 -0.823 -5.202) 5.847 13.956 ( 0.124 -3.269 10.079) 10.597 14.105 ( -2.625 -5.112 -4.604) 7.364 15.067 ( -2.466 1.236 8.749) 9.174 15.203 ( -1.898 1.880 -5.401) 6.025 16.217 ( -4.686 14.812 12.173) 19.737 16.517 ( -3.813 11.847 -19.375) 23.028 17.967 ( -3.135 -0.907 8.475) 9.082 18.030 ( -0.394 -0.256 7.412) 7.427 18.236 ( 5.281 -0.101 -0.010) 5.282 18.420 ( 8.070 -3.426 -12.774) 15.493 22.497 ( -2.242 -0.697 23.887) 24.002 22.905 ( -1.164 -3.527 -18.184) 18.560 27.662 ( -2.868 -0.402 15.438) 15.707 27.945 ( -8.509 -1.285 -13.120) 15.690 29.050 ( 0.246 -1.566 6.234) 6.433 29.182 ( 1.464 -3.623 -7.219) 8.209 29.464 ( 9.729 -3.468 10.781) 14.930 29.711 ( 11.382 -1.937 -14.438) 18.487 ======================= Grid point 528 (159/186) ======================= q-point: ( 0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.799 ( 14.437 -10.102 13.483) 22.187 4.260 ( 8.926 -14.767 -28.692) 33.481 4.862 ( -2.353 5.409 34.107) 34.613 5.552 ( -3.626 1.155 -27.836) 28.095 6.283 ( 16.696 -12.417 14.749) 25.505 6.685 ( 12.219 -10.260 -20.449) 25.937 7.699 ( -2.617 -14.263 9.251) 17.201 7.939 ( -3.734 -12.603 -13.974) 19.184 8.626 ( -7.456 23.312 21.867) 32.821 8.999 ( -10.597 23.352 -12.128) 28.367 9.523 ( -7.098 15.265 11.528) 20.403 9.802 ( -14.526 17.346 -13.913) 26.560 10.399 ( 0.819 -14.603 29.560) 32.981 10.960 ( 5.496 -14.638 -25.370) 29.801 12.247 ( 8.742 -10.921 5.482) 15.025 12.331 ( 9.290 -10.300 -2.694) 14.130 12.784 ( -5.885 6.059 13.270) 15.730 13.021 ( -1.229 2.428 -10.482) 10.829 14.002 ( -0.030 -1.865 9.840) 10.015 14.137 ( -3.157 -1.360 -3.470) 4.884 14.988 ( -3.495 4.108 8.349) 9.939 15.110 ( -3.842 5.309 -4.407) 7.897 15.905 ( -2.695 14.766 12.899) 19.791 16.247 ( -2.844 14.012 -22.695) 26.824 17.971 ( -2.760 -2.995 6.025) 7.273 18.033 ( -1.866 -1.919 1.147) 2.912 18.305 ( 5.895 -0.397 9.621) 11.290 18.560 ( 7.173 -3.046 -13.940) 15.971 22.504 ( -1.289 -1.974 26.604) 26.708 22.956 ( -0.763 -3.232 -20.020) 20.294 27.654 ( -1.961 -1.391 13.390) 13.604 27.895 ( -6.902 -2.035 -10.813) 12.988 29.085 ( 0.413 -1.872 7.323) 7.570 29.250 ( 0.410 -2.860 -9.183) 9.627 29.613 ( 8.298 -2.444 9.925) 13.165 29.842 ( 10.015 -0.084 -13.449) 16.769 ======================= Grid point 529 (160/186) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.124 ( 12.871 -9.317 18.370) 24.289 4.488 ( -1.859 -3.899 4.734) 6.408 4.863 ( 5.751 -5.158 -0.669) 7.754 5.456 ( -4.113 4.119 -37.007) 37.462 6.683 ( 11.451 -13.040 15.369) 23.181 6.877 ( 7.953 1.059 -1.408) 8.146 7.774 ( -5.772 -2.232 7.291) 9.563 7.939 ( -9.334 0.047 -4.279) 10.269 8.364 ( -0.910 3.427 6.952) 7.804 8.616 ( -1.693 13.263 -13.208) 18.794 9.145 ( -4.434 15.104 3.598) 16.147 9.344 ( -17.734 13.016 -14.715) 26.466 10.918 ( 13.919 -28.571 28.773) 42.871 11.398 ( 11.523 -21.120 -20.370) 31.524 12.276 ( -3.789 12.984 12.696) 18.551 12.468 ( -1.313 4.093 -7.177) 8.366 12.722 ( 0.720 -6.405 16.548) 17.759 12.986 ( -2.420 -2.478 -8.579) 9.252 14.013 ( 0.057 0.808 6.733) 6.781 14.099 ( -1.208 1.838 -1.689) 2.773 14.873 ( -2.984 4.110 6.639) 8.359 14.956 ( -4.632 6.004 -2.416) 7.959 15.684 ( -0.389 7.916 9.822) 12.621 16.006 ( -1.390 9.612 -23.807) 25.712 18.004 ( -1.405 -2.733 4.467) 5.422 18.058 ( -1.217 -2.351 -1.328) 2.962 18.357 ( 3.504 0.106 14.852) 15.261 18.661 ( 4.050 -1.637 -15.229) 15.844 22.530 ( -0.433 -1.629 27.587) 27.638 22.998 ( -0.297 -1.936 -20.629) 20.722 27.665 ( -0.808 -1.262 11.796) 11.891 27.871 ( -3.938 -1.408 -8.634) 9.593 29.118 ( 0.365 -1.307 7.104) 7.232 29.290 ( -0.038 -1.526 -10.015) 10.131 29.712 ( 4.610 -1.212 8.777) 9.987 29.916 ( 5.675 0.766 -11.784) 13.102 ======================= Grid point 530 (161/186) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( -0.000 -0.000 18.485) 18.485 4.456 ( 0.000 -0.000 24.124) 24.124 4.997 ( 0.000 -0.000 -20.130) 20.130 5.374 ( -0.000 0.000 -38.034) 38.034 6.798 ( 0.000 -0.000 18.215) 18.215 6.965 ( 0.000 -0.000 0.878) 0.878 7.705 ( -0.000 -0.000 17.111) 17.111 7.943 ( 0.000 -0.000 -3.589) 3.589 8.400 ( 0.000 -0.000 -10.658) 10.658 8.411 ( 0.000 0.000 -7.112) 7.112 9.022 ( 0.000 -0.000 -3.761) 3.761 9.081 ( -0.000 -0.000 -9.347) 9.347 11.417 ( -0.000 0.000 18.910) 18.910 11.656 ( 0.000 -0.000 -0.523) 0.523 12.086 ( 0.000 -0.000 4.032) 4.032 12.274 ( 0.000 -0.000 -10.440) 10.440 12.834 ( -0.000 -0.000 16.008) 16.008 13.006 ( 0.000 -0.000 -0.401) 0.401 13.997 ( 0.000 -0.000 4.176) 4.176 14.077 ( 0.000 -0.000 -3.170) 3.170 14.817 ( 0.000 -0.000 5.241) 5.241 14.865 ( 0.000 -0.000 -0.796) 0.796 15.615 ( 0.000 -0.000 7.667) 7.667 15.910 ( 0.000 -0.000 -23.495) 23.495 18.023 ( 0.000 -0.000 3.960) 3.960 18.075 ( 0.000 -0.000 -2.300) 2.300 18.373 ( 0.000 -0.000 16.842) 16.842 18.697 ( 0.000 -0.000 -15.751) 15.751 22.543 ( 0.000 -0.000 27.766) 27.766 23.014 ( 0.000 -0.000 -20.716) 20.716 27.673 ( 0.000 -0.000 11.112) 11.112 27.863 ( 0.000 -0.000 -7.619) 7.619 29.133 ( 0.000 -0.000 6.779) 6.779 29.303 ( 0.000 -0.000 -10.191) 10.191 29.747 ( 0.000 -0.000 8.175) 8.175 29.937 ( 0.000 -0.000 -10.925) 10.925 ======================= Grid point 537 (162/186) ======================= q-point: ( 0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 7.104 0.000 -14.247) 15.920 3.537 ( 11.334 0.000 -19.836) 22.846 5.184 ( 0.295 0.000 32.589) 32.591 5.392 ( 5.458 0.000 21.460) 22.143 5.990 ( 23.582 0.000 -1.333) 23.620 6.112 ( 15.957 0.000 -25.201) 29.828 6.916 ( 0.203 0.000 -8.527) 8.529 6.942 ( 0.139 0.000 -11.927) 11.927 9.444 ( -7.125 -0.000 33.184) 33.940 9.826 ( -25.782 -0.000 -0.833) 25.795 10.479 ( -4.516 -0.000 0.709) 4.572 10.485 ( -5.134 -0.000 -7.515) 9.101 10.822 ( -9.986 -0.000 -5.534) 11.417 11.013 ( -22.884 -0.000 -14.104) 26.881 11.563 ( 10.117 0.000 0.670) 10.139 11.582 ( 3.880 0.000 -1.321) 4.098 12.961 ( 8.911 0.000 3.181) 9.461 12.981 ( 5.987 0.000 0.833) 6.045 13.875 ( 2.705 0.000 7.334) 7.817 13.977 ( -1.319 -0.000 -2.386) 2.727 15.060 ( -3.323 -0.000 9.225) 9.805 15.211 ( -1.968 -0.000 -6.428) 6.722 16.496 ( -7.306 -0.000 8.622) 11.301 16.722 ( -5.921 -0.000 -15.156) 16.272 17.982 ( -0.817 -0.000 13.336) 13.361 18.066 ( 7.546 0.000 16.163) 17.838 18.239 ( 0.771 0.000 -12.977) 13.000 18.348 ( 7.955 0.000 -12.895) 15.151 22.496 ( -4.249 -0.000 18.903) 19.374 22.821 ( -1.647 -0.000 -14.267) 14.362 27.658 ( -4.806 -0.000 15.097) 15.843 27.914 ( -11.663 -0.000 -10.904) 15.966 29.033 ( 0.853 0.000 4.204) 4.290 29.122 ( 7.439 0.000 -5.181) 9.065 29.379 ( 10.260 0.000 12.244) 15.975 29.658 ( 13.526 0.000 -16.367) 21.232 ======================= Grid point 538 (163/186) ======================= q-point: ( 0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 10.367 -1.950 -3.280) 11.047 3.780 ( 13.056 -10.249 -23.647) 28.891 5.145 ( -1.957 6.021 28.996) 29.679 5.449 ( 7.694 -1.468 11.492) 13.908 6.171 ( 16.724 4.011 -10.123) 19.956 6.385 ( 22.036 -4.512 -19.583) 29.823 7.005 ( 5.624 -15.264 6.466) 17.505 7.248 ( 7.944 -21.022 -16.304) 27.764 9.291 ( -16.212 8.295 25.175) 31.071 9.541 ( -22.346 0.829 3.914) 22.701 10.025 ( -11.232 23.023 17.733) 31.155 10.416 ( -14.924 7.389 -8.079) 18.510 10.569 ( -11.003 15.932 -7.870) 20.900 10.801 ( -6.417 1.923 -21.859) 22.862 11.763 ( 5.532 -13.297 1.568) 14.487 11.799 ( 8.362 -12.606 -2.004) 15.259 13.007 ( 4.420 2.696 4.590) 6.919 13.055 ( 3.591 -1.525 -0.429) 3.925 13.916 ( 1.460 -1.008 5.830) 6.094 13.989 ( -2.723 -3.396 -1.169) 4.507 15.028 ( -4.857 -0.886 9.652) 10.842 15.187 ( -3.485 -0.097 -6.774) 7.618 16.353 ( -7.165 7.138 10.585) 14.640 16.617 ( -5.498 4.903 -17.184) 18.696 17.955 ( -1.038 1.753 12.195) 12.364 18.094 ( 4.709 4.627 7.835) 10.246 18.278 ( 4.894 -1.573 -3.664) 6.313 18.460 ( 9.317 -2.206 -12.795) 15.981 22.453 ( -4.152 -0.609 22.277) 22.669 22.830 ( -1.766 -2.897 -16.481) 16.827 27.610 ( -5.081 -0.689 12.124) 13.164 27.808 ( -11.346 -1.882 -7.987) 14.003 29.054 ( 3.059 -0.081 7.091) 7.723 29.202 ( 7.344 -0.000 -7.882) 10.773 29.514 ( 10.421 -2.505 13.321) 17.097 29.820 ( 14.738 -0.912 -18.187) 23.427 ======================= Grid point 539 (164/186) ======================= q-point: ( 0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 11.395 -8.381 8.800) 16.659 4.125 ( 12.750 -12.607 -23.078) 29.225 4.978 ( -0.615 9.107 28.695) 30.112 5.542 ( 2.076 -0.656 -17.257) 17.394 6.291 ( 12.419 -3.375 6.936) 14.619 6.663 ( 15.256 -6.186 -22.221) 27.655 7.441 ( 10.190 -18.015 10.533) 23.223 7.692 ( 6.938 -16.016 -14.719) 22.832 8.830 ( -21.978 16.592 23.955) 36.499 9.196 ( -19.731 15.759 -10.662) 27.411 9.679 ( -5.185 8.915 19.032) 21.647 9.982 ( -18.609 18.728 -12.696) 29.295 10.303 ( 2.431 1.988 19.649) 19.898 10.834 ( 5.773 -6.938 -27.522) 28.964 12.072 ( 4.762 -13.986 2.792) 15.036 12.124 ( 4.358 -15.879 -2.316) 16.628 12.937 ( 0.813 8.384 9.481) 12.682 13.081 ( 0.469 1.656 -5.289) 5.562 13.930 ( -3.205 -2.415 7.482) 8.490 14.032 ( -4.176 -4.829 -2.581) 6.886 14.973 ( -6.886 0.855 9.296) 11.600 15.120 ( -6.434 2.423 -5.948) 9.091 16.117 ( -4.559 12.084 12.849) 18.219 16.439 ( -3.273 10.108 -20.777) 23.336 17.923 ( -0.588 0.210 9.378) 9.399 18.048 ( 2.698 3.658 0.578) 4.582 18.360 ( 5.992 -0.597 6.947) 9.193 18.595 ( 8.146 -2.268 -13.424) 15.865 22.446 ( -2.296 -2.450 25.715) 25.934 22.880 ( -1.093 -4.172 -18.955) 19.439 27.588 ( -4.041 -2.233 10.112) 11.116 27.756 ( -8.772 -3.962 -6.848) 11.812 29.094 ( 4.227 0.001 8.595) 9.578 29.270 ( 6.670 0.505 -8.820) 11.069 29.654 ( 7.835 -2.198 13.055) 15.383 29.960 ( 11.502 0.854 -18.196) 21.544 ======================= Grid point 540 (165/186) ======================= q-point: ( 0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.062 ( 8.939 -11.089 17.461) 22.533 4.422 ( 7.701 -6.503 -4.438) 11.013 4.883 ( 4.679 1.829 9.822) 11.032 5.500 ( -1.954 4.245 -36.283) 36.582 6.536 ( 4.532 -11.045 18.228) 21.790 6.887 ( 4.763 -5.493 -14.593) 16.304 7.708 ( 4.717 -3.601 7.055) 9.219 7.832 ( -6.865 -0.634 -3.734) 7.840 8.432 ( -8.410 7.863 18.658) 21.925 8.792 ( -6.676 11.141 -14.498) 19.465 9.386 ( -7.767 14.979 -3.263) 17.185 9.473 ( -12.117 18.722 -9.166) 24.111 10.634 ( 18.506 -22.313 31.025) 42.460 11.169 ( 12.651 -18.854 -22.931) 32.270 12.305 ( 0.077 -6.988 4.914) 8.543 12.373 ( -2.693 -6.789 -1.766) 7.514 12.781 ( 3.316 6.684 14.105) 15.957 13.006 ( -1.686 4.795 -8.169) 9.621 13.952 ( -4.803 -4.437 7.870) 10.232 14.057 ( -4.838 -3.065 -2.730) 6.344 14.855 ( -9.589 2.330 7.864) 12.618 14.969 ( -9.555 4.707 -4.226) 11.459 15.863 ( -1.697 12.131 12.387) 17.420 16.208 ( -0.883 12.879 -23.496) 26.808 17.947 ( 0.609 -2.633 6.513) 7.052 18.040 ( 2.775 0.484 -1.029) 2.999 18.409 ( 3.891 1.012 12.462) 13.094 18.692 ( 5.217 -0.677 -14.700) 15.613 22.484 ( -0.523 -3.043 27.348) 27.522 22.945 ( -0.230 -3.716 -20.191) 20.531 27.602 ( -2.981 -3.269 9.466) 10.449 27.764 ( -5.266 -4.901 -6.687) 9.822 29.137 ( 4.613 0.417 8.849) 9.988 29.321 ( 6.083 1.118 -9.220) 11.102 29.739 ( 3.569 -0.559 11.686) 12.232 30.016 ( 6.318 3.244 -16.388) 17.861 ======================= Grid point 541 (166/186) ======================= q-point: ( 0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( -1.932 -4.282 23.853) 24.311 4.510 ( 7.867 1.128 17.819) 19.511 4.989 ( 4.432 -3.043 -17.842) 18.634 5.404 ( -0.289 3.363 -38.687) 38.834 6.637 ( -13.449 -6.433 20.992) 25.747 6.927 ( -8.874 -0.878 -6.903) 11.277 7.702 ( 1.034 -0.858 14.966) 15.026 7.892 ( 6.398 -4.960 -4.211) 9.125 8.305 ( -4.166 0.339 7.612) 8.684 8.613 ( 0.488 10.126 -19.924) 22.355 9.070 ( -5.792 9.028 0.644) 10.746 9.208 ( 7.829 6.963 -11.920) 15.870 11.271 ( 18.604 -22.886 22.444) 37.062 11.627 ( 8.297 -13.064 -13.142) 20.304 12.162 ( -4.996 11.908 9.329) 15.931 12.291 ( -8.413 8.186 -3.770) 12.329 12.867 ( 7.400 -3.164 9.389) 12.367 12.974 ( 1.904 -3.457 0.866) 4.040 13.960 ( -5.314 -1.844 5.316) 7.739 14.040 ( -5.533 -1.270 -2.497) 6.201 14.739 ( -9.609 -1.906 6.074) 11.526 14.815 ( -7.990 0.284 -2.798) 8.470 15.681 ( -0.203 6.963 9.630) 11.885 16.004 ( 0.909 9.132 -24.154) 25.838 18.010 ( 1.774 -2.550 4.305) 5.309 18.074 ( 2.847 -0.673 -1.495) 3.285 18.403 ( 0.935 2.362 15.817) 16.019 18.720 ( 1.602 1.441 -15.643) 15.791 22.529 ( 0.347 -1.863 27.735) 27.800 22.997 ( 0.279 -2.041 -20.551) 20.654 27.633 ( -2.137 -2.999 10.303) 10.942 27.814 ( -1.471 -4.498 -7.658) 9.002 29.169 ( 4.539 1.423 8.640) 9.863 29.355 ( 5.783 1.984 -9.505) 11.302 29.747 ( -1.264 0.862 9.665) 9.785 29.982 ( 0.629 4.399 -13.843) 14.539 ======================= Grid point 542 (167/186) ======================= q-point: (-0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( -9.966 7.578 24.716) 27.707 4.583 ( 6.691 2.026 8.377) 10.911 4.925 ( -5.250 7.571 -11.905) 15.054 5.440 ( 5.297 -3.075 -35.957) 36.475 6.628 ( -15.947 -6.844 15.487) 23.259 6.752 ( -12.563 2.514 4.730) 13.657 7.827 ( 5.280 -5.083 8.582) 11.286 7.972 ( 4.878 -0.178 0.294) 4.890 8.364 ( -3.082 -7.055 -10.168) 12.754 8.452 ( 1.560 4.698 -13.093) 13.998 9.036 ( 7.430 -5.125 13.601) 16.324 9.359 ( 17.758 -6.580 -18.260) 26.307 11.336 ( -3.876 27.894 21.006) 35.133 11.655 ( -1.141 13.074 -10.843) 17.024 12.071 ( -0.923 -7.662 10.922) 13.374 12.242 ( -7.808 -12.440 -5.203) 15.582 12.924 ( 11.104 5.538 12.042) 17.291 13.090 ( 7.894 0.680 -3.008) 8.475 13.934 ( -6.705 -3.506 6.370) 9.891 14.020 ( -5.177 -4.590 -1.702) 7.125 14.753 ( -4.913 -7.907 6.247) 11.210 14.837 ( -2.365 -8.165 -3.206) 9.086 15.618 ( 0.200 -0.009 8.901) 8.903 15.935 ( 1.975 -0.176 -24.344) 24.425 18.057 ( 2.903 0.201 3.727) 4.728 18.107 ( 2.806 0.569 -2.029) 3.510 18.349 ( -2.200 2.795 16.842) 17.213 18.675 ( -1.919 3.395 -15.780) 16.255 22.550 ( 0.562 0.040 27.681) 27.686 23.019 ( 0.436 0.037 -20.654) 20.659 27.659 ( -1.083 -1.696 12.342) 12.505 27.885 ( 1.650 -3.166 -10.124) 10.735 29.176 ( 4.339 2.918 8.971) 10.384 29.369 ( 5.909 3.226 -9.822) 11.908 29.687 ( -5.554 1.873 7.725) 9.698 29.885 ( -4.937 3.713 -11.762) 13.285 ======================= Grid point 543 (168/186) ======================= q-point: (-0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.858 ( -11.248 11.949 21.443) 27.002 4.447 ( -5.138 14.333 -33.594) 36.883 4.832 ( 2.189 -0.994 32.759) 32.847 5.557 ( 5.322 -3.590 -35.094) 35.676 6.349 ( -15.824 12.473 20.430) 28.694 6.701 ( -8.257 1.571 -12.036) 14.681 7.928 ( 8.649 2.063 9.557) 13.054 8.113 ( 6.057 -5.256 0.432) 8.031 8.337 ( -2.870 -1.130 -0.402) 3.111 8.618 ( -2.267 -21.538 -18.915) 28.755 9.356 ( 12.762 -15.355 18.552) 27.255 9.705 ( 13.900 -10.931 -16.030) 23.867 10.769 ( 0.189 27.229 28.067) 39.105 11.245 ( -2.154 21.901 -19.927) 29.688 12.191 ( -13.258 -3.300 5.900) 14.882 12.242 ( -13.376 -2.791 0.992) 13.700 12.939 ( 14.130 7.665 7.755) 17.848 13.096 ( 7.425 5.285 -7.306) 11.681 13.950 ( -5.652 -4.963 12.189) 14.323 14.112 ( 0.076 -6.567 -3.778) 7.576 14.885 ( -0.823 -9.158 7.660) 11.968 14.998 ( 0.172 -9.700 -4.319) 10.619 15.704 ( 1.256 -9.313 11.901) 15.164 16.052 ( 2.478 -9.984 -24.375) 26.456 18.063 ( 3.934 2.913 5.300) 7.215 18.110 ( 3.219 2.460 -1.121) 4.203 18.267 ( -4.962 2.139 13.525) 14.565 18.567 ( -4.530 4.819 -15.120) 16.503 22.543 ( 0.660 1.283 27.282) 27.320 23.007 ( 0.475 1.779 -20.567) 20.649 27.672 ( 0.071 -0.485 14.729) 14.737 27.954 ( 3.450 -1.616 -13.521) 14.048 29.156 ( 4.010 4.146 9.694) 11.281 29.357 ( 5.874 5.246 -9.752) 12.535 29.573 ( -8.103 2.831 6.990) 11.070 29.762 ( -8.822 1.927 -11.167) 14.361 ======================= Grid point 544 (169/186) ======================= q-point: (-0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -7.171 10.110 15.183) 19.600 4.099 ( -5.013 17.102 -37.662) 41.666 4.927 ( 2.469 -5.870 40.137) 40.639 5.666 ( 7.138 -0.631 -26.645) 27.592 5.956 ( -13.081 13.851 18.214) 26.358 6.479 ( -6.052 12.863 -26.151) 29.765 7.756 ( 1.927 21.541 9.567) 23.649 8.005 ( 2.220 20.032 -15.091) 25.178 8.706 ( 1.278 -35.509 22.190) 41.892 9.130 ( 2.405 -33.672 -20.186) 39.333 9.621 ( 1.370 -0.520 26.959) 26.999 9.973 ( 4.022 -12.634 -4.329) 13.947 10.582 ( 10.502 0.878 13.194) 16.886 10.999 ( 7.260 6.251 -23.219) 25.118 11.970 ( -12.944 7.833 6.005) 16.277 12.077 ( -11.004 7.642 -4.690) 14.194 12.934 ( 5.525 4.754 7.967) 10.798 13.074 ( 2.524 3.808 -6.100) 7.621 13.974 ( -1.686 -1.362 13.816) 13.985 14.178 ( 0.815 0.266 -6.653) 6.708 15.022 ( 0.435 -5.852 8.271) 10.141 15.146 ( 0.416 -6.183 -4.762) 7.815 15.961 ( 1.917 -16.705 13.612) 21.633 16.303 ( 1.861 -14.622 -22.194) 26.643 18.046 ( 4.126 3.465 9.265) 10.718 18.087 ( 1.908 3.472 5.825) 7.045 18.188 ( -4.525 0.401 1.790) 4.883 18.426 ( -4.663 5.174 -14.281) 15.889 22.527 ( 0.699 1.083 25.929) 25.961 22.970 ( 0.433 2.823 -19.796) 20.001 27.681 ( 0.701 -0.213 16.778) 16.794 28.011 ( 3.395 -0.821 -16.588) 16.952 29.114 ( 2.497 4.376 9.165) 10.458 29.298 ( 3.977 7.304 -9.022) 12.271 29.435 ( -7.403 3.221 8.815) 11.954 29.647 ( -7.170 1.417 -12.194) 14.217 ======================= Grid point 545 (170/186) ======================= q-point: (-0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -0.000 4.835 4.540) 6.633 3.782 ( -0.000 15.153 -33.237) 36.528 5.071 ( 0.000 -8.755 39.518) 40.476 5.547 ( -0.000 17.602 34.151) 38.421 5.787 ( 0.000 -2.374 -33.514) 33.598 6.199 ( -0.000 13.633 -31.775) 34.576 7.331 ( -0.000 24.590 10.401) 26.699 7.591 ( -0.000 25.435 -15.328) 29.697 9.392 ( 0.000 -37.958 19.828) 42.824 9.558 ( -0.000 3.071 37.489) 37.614 9.765 ( 0.000 -34.094 -18.320) 38.704 10.183 ( 0.000 -6.880 -21.021) 22.119 10.757 ( 0.000 -11.498 12.927) 17.300 11.121 ( 0.000 -9.581 -20.594) 22.714 11.723 ( -0.000 11.271 5.168) 12.400 11.823 ( -0.000 12.937 -4.937) 13.847 12.885 ( -0.000 3.084 7.843) 8.428 13.009 ( -0.000 4.465 -4.745) 6.516 13.949 ( -0.000 3.088 11.975) 12.367 14.132 ( -0.000 4.821 -6.121) 7.791 15.089 ( 0.000 -1.674 8.473) 8.636 15.219 ( 0.000 -2.009 -5.108) 5.489 16.273 ( 0.000 -15.994 11.787) 19.868 16.563 ( 0.000 -12.697 -18.767) 22.659 18.019 ( -0.000 2.642 17.144) 17.346 18.030 ( -0.000 2.577 7.377) 7.814 18.180 ( 0.000 -1.594 -7.794) 7.955 18.318 ( -0.000 3.681 -13.754) 14.238 22.523 ( 0.000 -0.126 23.012) 23.013 22.918 ( -0.000 3.222 -17.819) 18.108 27.694 ( 0.000 -0.610 18.050) 18.060 28.046 ( 0.000 -0.727 -17.864) 17.879 29.058 ( -0.000 3.044 6.534) 7.208 29.188 ( -0.000 6.738 -6.814) 9.583 29.333 ( -0.000 3.521 11.174) 11.716 29.573 ( -0.000 2.555 -13.388) 13.629 ======================= Grid point 548 (171/186) ======================= q-point: ( 0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 6.306 0.000 0.659) 6.341 3.841 ( 17.532 0.000 -21.147) 27.470 5.191 ( 0.628 0.000 22.619) 22.628 5.532 ( 6.548 0.000 -1.285) 6.673 6.396 ( 7.812 0.000 -0.683) 7.842 6.612 ( 32.777 0.000 -5.656) 33.261 6.996 ( 10.055 0.000 -6.409) 11.924 7.125 ( 20.831 0.000 -13.371) 24.753 9.217 ( -32.307 -0.000 14.260) 35.314 9.257 ( -11.249 -0.000 15.776) 19.376 10.135 ( -20.196 -0.000 12.800) 23.911 10.210 ( -19.408 -0.000 -0.237) 19.409 10.609 ( -15.946 -0.000 -8.763) 18.195 10.777 ( -1.062 -0.000 -24.658) 24.681 11.683 ( 6.876 0.000 6.916) 9.753 11.813 ( 14.732 0.000 -6.905) 16.270 13.009 ( -4.169 -0.000 3.900) 5.709 13.066 ( -0.788 -0.000 -1.497) 1.692 13.936 ( 1.727 0.000 3.179) 3.618 13.949 ( -1.448 -0.000 2.266) 2.689 14.959 ( -6.146 -0.000 10.809) 12.434 15.143 ( -4.539 -0.000 -8.191) 9.364 16.334 ( -7.582 -0.000 10.727) 13.136 16.597 ( -5.560 -0.000 -16.897) 17.788 17.978 ( 0.870 0.000 15.667) 15.691 18.241 ( 8.525 0.000 16.915) 18.942 18.280 ( 3.483 0.000 -15.242) 15.635 18.537 ( 9.453 0.000 -13.613) 16.573 22.399 ( -4.559 -0.000 23.039) 23.486 22.783 ( -1.729 -0.000 -16.469) 16.559 27.546 ( -5.504 -0.000 8.553) 10.171 27.673 ( -10.802 -0.000 -4.374) 11.654 29.100 ( 5.475 0.000 9.701) 11.140 29.295 ( 9.226 0.000 -10.094) 13.675 29.595 ( 9.704 0.000 16.864) 19.456 29.970 ( 14.914 0.000 -21.892) 26.490 ======================= Grid point 549 (172/186) ======================= q-point: ( 0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 5.171 -5.306 14.079) 15.909 4.100 ( 17.804 -7.364 -22.378) 29.529 5.139 ( 1.906 7.136 17.836) 19.305 5.576 ( 3.071 0.593 -17.269) 17.550 6.400 ( 6.726 3.620 11.663) 13.942 6.820 ( 15.900 4.814 -23.165) 28.506 7.322 ( 25.230 -14.331 10.212) 30.761 7.550 ( 19.118 -14.106 -12.329) 26.767 8.800 ( -26.435 8.893 21.935) 35.483 9.135 ( -18.020 1.790 -7.986) 19.791 9.773 ( -12.073 11.182 19.214) 25.297 10.004 ( -20.068 6.222 -1.878) 21.094 10.390 ( -5.722 5.502 5.033) 9.399 10.790 ( 1.366 -3.291 -26.234) 26.475 11.876 ( 6.287 -11.843 7.902) 15.563 12.022 ( 12.936 -5.685 -7.387) 15.944 12.971 ( -6.840 -1.533 4.739) 8.462 13.046 ( -5.192 -1.936 -2.700) 6.164 13.898 ( -3.888 2.422 4.829) 6.656 13.936 ( -3.705 -0.958 0.698) 3.890 14.901 ( -6.813 -0.276 10.557) 12.568 15.084 ( -6.186 1.188 -8.184) 10.327 16.215 ( -6.005 5.312 12.566) 14.906 16.517 ( -4.118 3.393 -19.095) 19.827 17.965 ( 2.149 2.768 15.093) 15.495 18.202 ( 6.198 7.461 -1.685) 9.844 18.396 ( 5.705 -2.441 4.376) 7.593 18.644 ( 8.005 -1.471 -13.890) 16.099 22.377 ( -2.848 -2.127 25.414) 25.662 22.799 ( -1.080 -3.275 -18.052) 18.378 27.506 ( -4.675 -1.543 6.337) 8.025 27.600 ( -8.442 -3.151 -3.188) 9.558 29.159 ( 6.808 0.565 11.369) 13.264 29.377 ( 9.297 1.553 -10.264) 13.935 29.699 ( 7.016 -1.336 17.756) 19.139 30.100 ( 11.544 1.219 -23.350) 26.076 ======================= Grid point 550 (173/186) ======================= q-point: ( 0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 2.845 -10.662 26.649) 28.843 4.420 ( 16.211 -7.635 -16.830) 24.584 5.028 ( 5.504 8.054 9.318) 13.490 5.555 ( -0.995 3.060 -33.803) 33.956 6.439 ( 0.612 -2.050 20.959) 21.068 6.874 ( 3.304 1.221 -20.313) 20.616 7.742 ( 14.892 -4.398 6.469) 16.821 7.795 ( 2.964 -1.229 1.704) 3.633 8.464 ( -9.435 6.300 18.506) 21.706 8.861 ( -10.788 6.957 -19.797) 23.594 9.507 ( -10.247 9.725 3.051) 14.452 9.629 ( -14.864 12.586 -5.483) 20.234 10.497 ( 14.837 -13.776 25.330) 32.427 10.987 ( 8.153 -13.938 -21.903) 27.212 12.165 ( 4.655 -13.025 4.800) 14.641 12.245 ( 7.941 -6.715 -3.591) 11.002 12.892 ( -4.508 3.805 8.501) 10.348 13.020 ( -5.348 -0.253 -4.410) 6.936 13.818 ( -7.798 -1.423 7.468) 10.891 13.912 ( -8.858 -4.126 -2.267) 10.031 14.798 ( -9.330 2.996 9.197) 13.439 14.955 ( -8.579 4.738 -7.104) 12.104 16.031 ( -3.917 9.407 14.363) 17.610 16.386 ( -2.042 8.063 -22.636) 24.115 17.950 ( 3.022 1.237 12.357) 12.781 18.147 ( 6.652 5.838 -4.014) 9.718 18.461 ( 3.505 0.367 10.164) 10.757 18.735 ( 5.257 -0.687 -14.570) 15.505 22.414 ( -0.740 -3.918 27.128) 27.419 22.866 ( -0.194 -4.721 -19.457) 20.023 27.505 ( -3.892 -3.275 6.352) 8.137 27.611 ( -5.184 -5.808 -4.285) 8.887 29.217 ( 7.407 1.210 11.835) 14.014 29.434 ( 8.714 2.433 -8.977) 12.745 29.765 ( 2.782 -0.128 15.997) 16.237 30.149 ( 6.474 4.004 -22.402) 23.660 ======================= Grid point 551 (174/186) ======================= q-point: ( 0.50 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( -1.274 -9.544 33.557) 34.911 4.643 ( 13.671 0.630 3.519) 14.130 5.014 ( 6.378 0.759 -13.988) 15.392 5.476 ( 0.430 4.266 -38.018) 38.259 6.394 ( -16.423 -1.790 23.605) 28.812 6.798 ( -13.002 1.730 -15.533) 20.330 7.715 ( 2.353 1.184 17.713) 17.908 7.963 ( 15.167 -0.626 -6.289) 16.431 8.304 ( -5.864 4.959 16.532) 18.228 8.725 ( -2.774 4.426 -24.302) 24.857 9.192 ( -8.194 11.364 4.684) 14.773 9.389 ( 1.895 6.104 -14.019) 15.407 11.057 ( 20.570 -23.948 21.349) 38.110 11.395 ( 7.936 -19.864 -12.957) 25.009 12.322 ( 1.089 5.507 4.305) 7.075 12.371 ( 3.821 0.597 -1.289) 4.076 12.834 ( 2.531 -3.321 10.288) 11.103 12.960 ( -0.433 0.142 -1.448) 1.518 13.801 ( -10.459 -6.323 7.211) 14.191 13.897 ( -11.763 -5.441 -2.672) 13.233 14.623 ( -11.532 2.989 8.459) 14.611 14.769 ( -8.358 4.954 -7.123) 12.047 15.825 ( -1.919 9.715 13.752) 16.947 16.200 ( -0.195 11.100 -25.061) 27.409 17.989 ( 3.027 -1.801 8.782) 9.462 18.137 ( 6.076 2.859 -4.207) 7.924 18.458 ( 0.916 2.409 14.499) 14.726 18.768 ( 2.269 1.393 -15.463) 15.691 22.484 ( 0.424 -3.690 27.677) 27.925 22.947 ( 0.371 -4.012 -20.090) 20.490 27.539 ( -2.864 -4.330 8.212) 9.715 27.688 ( -2.252 -7.038 -6.830) 10.063 29.267 ( 7.652 2.026 11.582) 14.029 29.471 ( 7.779 2.863 -7.396) 11.108 29.755 ( -1.867 1.819 12.844) 13.106 30.093 ( 1.288 6.683 -20.105) 21.226 ======================= Grid point 552 (175/186) ======================= q-point: (-0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( -4.715 1.752 32.006) 32.399 4.717 ( 10.266 3.992 7.774) 13.482 5.003 ( -2.701 5.696 -18.285) 19.342 5.465 ( 5.552 -0.124 -34.418) 34.863 6.293 ( -16.245 -9.378 21.552) 28.572 6.612 ( -16.349 -0.341 -7.545) 18.009 7.798 ( 6.365 -2.165 14.004) 15.535 8.075 ( 6.888 3.621 -0.584) 7.804 8.222 ( -2.147 -3.524 -0.432) 4.148 8.568 ( -4.847 6.776 -22.642) 24.126 9.058 ( 2.979 0.255 16.919) 17.181 9.439 ( 11.733 -2.616 -20.702) 23.939 11.602 ( 11.927 -13.139 10.395) 20.566 11.720 ( 2.848 -6.573 -1.050) 7.240 12.050 ( -6.326 13.845 9.484) 17.934 12.192 ( -3.038 17.718 -5.318) 18.746 13.034 ( 10.936 -8.372 10.997) 17.624 13.131 ( 13.776 -8.060 1.560) 16.036 13.772 ( -13.609 -3.211 5.320) 14.960 13.841 ( -13.752 -4.448 -1.096) 14.495 14.541 ( -7.928 -6.509 7.713) 12.834 14.678 ( -4.563 -3.665 -7.094) 9.196 15.672 ( -0.627 5.803 11.179) 12.611 16.025 ( 0.861 7.939 -25.645) 26.859 18.059 ( 2.463 -2.504 5.340) 6.391 18.158 ( 4.470 1.373 -3.447) 5.809 18.398 ( -1.168 4.091 17.250) 17.767 18.732 ( -0.176 3.836 -15.978) 16.433 22.540 ( 0.603 -1.901 27.673) 27.745 23.006 ( 0.458 -2.062 -20.353) 20.462 27.592 ( -1.609 -4.025 10.986) 11.810 27.801 ( -0.133 -6.771 -10.070) 12.135 29.300 ( 7.932 3.345 11.631) 14.470 29.493 ( 6.347 2.952 -4.744) 8.456 29.671 ( -5.305 2.948 7.499) 9.647 29.948 ( -3.369 8.162 -17.404) 19.515 ======================= Grid point 553 (176/186) ======================= q-point: (-0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( -4.758 11.606 27.626) 30.341 4.656 ( 0.397 12.166 -32.544) 34.746 4.862 ( -0.357 2.962 26.168) 26.338 5.545 ( 3.680 -2.593 -35.532) 35.816 6.327 ( -9.403 -2.528 19.074) 21.416 6.554 ( -5.817 -7.684 -1.343) 9.730 7.879 ( 1.121 -5.334 9.825) 11.236 8.106 ( 5.869 -1.075 5.843) 8.351 8.282 ( -4.256 -7.376 -16.790) 18.827 8.454 ( -0.589 4.648 -17.164) 17.792 9.219 ( 6.571 -11.450 23.462) 26.922 9.659 ( 8.707 -8.402 -21.406) 24.589 11.336 ( 2.952 33.814 21.902) 40.396 11.669 ( 2.716 24.585 -12.295) 27.622 11.967 ( -8.631 -8.040 5.772) 13.132 12.029 ( -7.588 -8.047 -0.535) 11.073 13.231 ( 15.441 6.554 5.869) 17.771 13.294 ( 8.965 6.029 -0.821) 10.835 13.710 ( -13.354 -10.682 14.157) 22.200 13.900 ( -5.148 -14.344 -4.054) 15.770 14.669 ( -2.434 -12.363 7.595) 14.712 14.796 ( -1.178 -11.363 -5.934) 12.874 15.621 ( 0.048 -0.847 10.684) 10.718 15.970 ( 1.020 -1.071 -25.609) 25.652 18.117 ( 2.129 -1.198 2.712) 3.651 18.170 ( 2.575 1.562 -2.313) 3.797 18.296 ( -2.406 5.240 18.320) 19.206 18.635 ( -1.383 5.913 -15.943) 17.060 22.561 ( 0.348 0.064 27.541) 27.544 23.027 ( 0.270 0.058 -20.554) 20.556 27.641 ( -0.499 -2.656 13.854) 14.115 27.913 ( 0.820 -5.211 -13.567) 14.556 29.304 ( 7.375 5.531 13.342) 16.217 29.480 ( -1.141 2.531 5.081) 5.789 29.580 ( 1.209 3.387 -6.961) 7.835 29.749 ( -7.564 7.524 -14.418) 17.937 ======================= Grid point 554 (177/186) ======================= q-point: (-0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( -0.000 13.319 23.147) 26.705 4.378 ( -0.000 16.896 -40.970) 44.317 4.868 ( 0.000 -2.225 38.224) 38.288 5.630 ( 0.000 -4.699 -38.244) 38.531 6.162 ( -0.000 13.110 26.761) 29.800 6.605 ( -0.000 2.664 -16.937) 17.145 8.065 ( -0.000 10.487 8.528) 13.517 8.143 ( 0.000 -24.783 19.042) 31.253 8.307 ( -0.000 11.862 -14.565) 18.784 8.575 ( 0.000 -27.192 -23.211) 35.752 9.509 ( 0.000 -14.402 21.190) 25.621 9.844 ( 0.000 -6.513 -11.124) 12.891 10.821 ( -0.000 22.328 23.793) 32.629 11.262 ( -0.000 19.813 -19.400) 27.729 11.975 ( -0.000 0.671 6.846) 6.878 12.078 ( 0.000 -0.941 -3.626) 3.746 13.119 ( -0.000 11.075 4.017) 11.781 13.194 ( -0.000 7.577 -3.357) 8.287 13.862 ( 0.000 -9.784 17.646) 20.177 14.109 ( 0.000 -8.894 -7.149) 11.411 14.872 ( 0.000 -10.881 7.969) 13.486 14.995 ( 0.000 -10.707 -5.014) 11.822 15.720 ( 0.000 -10.390 12.978) 16.625 16.082 ( 0.000 -10.395 -24.663) 26.764 18.136 ( -0.000 1.729 0.569) 1.820 18.159 ( -0.000 0.354 -1.729) 1.765 18.175 ( -0.000 5.856 19.187) 20.061 18.511 ( -0.000 6.676 -15.503) 16.879 22.551 ( -0.000 1.113 27.121) 27.144 23.012 ( -0.000 1.700 -20.516) 20.586 27.672 ( 0.000 -1.167 16.017) 16.059 27.992 ( 0.000 -3.029 -16.328) 16.606 29.234 ( -0.000 6.600 13.229) 14.783 29.425 ( -0.000 1.584 8.400) 8.548 29.498 ( -0.000 10.496 -13.897) 17.415 29.615 ( 0.000 -0.022 -10.543) 10.543 ======================= Grid point 559 (178/186) ======================= q-point: ( 0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 1.430 0.000 26.754) 26.792 4.236 ( 20.465 0.000 -25.795) 32.927 5.240 ( 4.858 0.000 7.853) 9.234 5.591 ( -1.427 -0.000 -25.067) 25.107 6.499 ( 3.844 0.000 22.901) 23.221 7.022 ( 8.450 0.000 -26.944) 28.238 7.505 ( 33.744 0.000 8.200) 34.726 7.645 ( 22.951 0.000 -4.012) 23.299 8.619 ( -21.300 -0.000 20.230) 29.376 8.982 ( -13.871 -0.000 -11.871) 18.257 9.744 ( -17.574 -0.000 10.711) 20.581 9.839 ( -17.116 -0.000 5.570) 17.999 10.353 ( -6.242 -0.000 7.070) 9.431 10.760 ( 0.952 0.000 -26.296) 26.313 11.840 ( 6.567 0.000 16.415) 17.680 12.126 ( 13.259 0.000 -13.099) 18.638 12.855 ( -8.323 -0.000 3.790) 9.145 12.941 ( -8.443 -0.000 -4.785) 9.704 13.872 ( -8.959 -0.000 3.803) 9.733 13.883 ( -6.154 -0.000 3.065) 6.875 14.841 ( -4.543 -0.000 10.843) 11.756 15.040 ( -5.001 -0.000 -9.394) 10.642 16.199 ( -5.428 -0.000 12.838) 13.938 16.499 ( -4.066 -0.000 -18.590) 19.030 18.026 ( 3.684 0.000 18.384) 18.750 18.381 ( 5.945 0.000 -17.765) 18.733 18.393 ( 6.046 0.000 17.996) 18.985 18.708 ( 6.810 0.000 -14.549) 16.064 22.329 ( -2.094 -0.000 26.151) 26.235 22.758 ( -0.627 -0.000 -18.099) 18.110 27.449 ( -3.809 -0.000 3.320) 5.053 27.489 ( -7.018 -0.000 -0.820) 7.066 29.241 ( 7.706 0.000 13.303) 15.374 29.491 ( 9.434 0.000 -12.123) 15.361 29.751 ( 5.214 0.000 22.042) 22.650 30.223 ( 9.288 0.000 -26.559) 28.136 ======================= Grid point 560 (179/186) ======================= q-point: ( 0.40 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( -0.317 -6.445 39.064) 39.594 4.493 ( 19.832 -4.827 -28.482) 35.040 5.236 ( 6.979 6.997 1.145) 9.948 5.564 ( -2.920 0.004 -30.447) 30.587 6.470 ( -1.754 4.709 27.106) 27.568 6.992 ( 0.780 7.698 -24.897) 26.072 7.821 ( 5.865 1.136 13.644) 14.894 7.891 ( 26.083 -4.333 3.374) 26.654 8.463 ( -4.313 1.859 13.731) 14.512 8.835 ( -9.092 2.546 -21.474) 23.458 9.526 ( -11.009 4.828 3.583) 12.544 9.606 ( -19.631 5.250 -0.893) 20.341 10.419 ( 9.359 -8.897 19.457) 23.352 10.860 ( 6.152 -8.067 -22.095) 24.313 11.982 ( 1.739 -10.549 15.874) 19.138 12.249 ( 5.140 -3.271 -11.243) 12.787 12.828 ( -3.463 -3.242 4.617) 6.619 12.924 ( -1.936 -3.814 -4.893) 6.499 13.733 ( -13.516 1.602 5.269) 14.595 13.778 ( -11.076 1.406 0.862) 11.198 14.778 ( -4.753 2.809 9.708) 11.168 14.961 ( -5.082 3.511 -8.973) 10.893 16.110 ( -4.080 4.521 14.448) 15.679 16.446 ( -2.843 2.140 -20.658) 20.962 18.035 ( 4.099 3.119 17.892) 18.619 18.344 ( 7.032 6.997 -5.486) 11.336 18.489 ( 3.127 -1.019 6.682) 7.447 18.774 ( 4.508 -0.514 -14.787) 15.467 22.342 ( -0.648 -3.051 27.161) 27.339 22.788 ( -0.042 -3.548 -18.820) 19.152 27.422 ( -3.557 -1.503 3.290) 5.073 27.471 ( -4.064 -4.222 -1.699) 6.101 29.314 ( 7.669 0.658 13.887) 15.878 29.565 ( 8.488 1.918 -10.771) 13.847 29.791 ( 2.009 0.226 21.766) 21.860 30.275 ( 5.527 2.947 -27.135) 27.849 ======================= Grid point 561 (180/186) ======================= q-point: ( 0.50 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( -1.338 -10.580 45.174) 46.416 4.776 ( 17.358 -4.150 -24.912) 30.645 5.160 ( 5.165 7.896 -6.602) 11.515 5.540 ( 0.937 1.455 -31.671) 31.718 6.280 ( -14.106 7.091 28.649) 32.711 6.781 ( -10.182 10.018 -21.427) 25.752 7.800 ( 6.266 3.278 25.227) 26.200 8.149 ( 19.454 1.114 -7.560) 20.901 8.347 ( -6.294 6.598 16.130) 18.529 8.741 ( -4.465 2.214 -23.091) 23.622 9.256 ( -14.109 8.179 3.789) 16.743 9.448 ( -1.227 0.839 -14.265) 14.343 10.847 ( 16.657 -21.270 18.553) 32.773 11.157 ( 8.174 -15.520 -12.639) 21.621 12.222 ( -1.116 -15.113 10.246) 18.293 12.369 ( 1.273 -6.433 -4.539) 7.976 12.867 ( 5.937 0.971 7.588) 9.683 12.982 ( 5.230 0.453 -2.836) 5.967 13.580 ( -16.058 -2.618 4.975) 17.013 13.645 ( -16.125 -3.701 -1.655) 16.627 14.628 ( -6.389 7.280 9.763) 13.752 14.814 ( -4.582 6.929 -9.479) 12.604 15.962 ( -2.527 8.036 16.270) 18.322 16.352 ( -1.257 6.462 -24.259) 25.136 18.024 ( 3.372 1.921 15.114) 15.604 18.293 ( 6.683 6.593 -8.701) 12.800 18.499 ( 0.279 1.474 13.173) 13.258 18.809 ( 2.063 0.593 -15.268) 15.418 22.412 ( 0.279 -4.625 27.653) 28.038 22.869 ( 0.307 -4.996 -19.470) 20.103 27.438 ( -2.426 -3.711 5.571) 7.120 27.540 ( -1.977 -6.824 -4.786) 8.566 29.375 ( 7.154 1.094 13.252) 15.100 29.602 ( 6.989 2.912 -6.579) 10.031 29.771 ( -1.851 2.219 17.638) 17.873 30.229 ( 1.718 6.507 -25.916) 26.776 ======================= Grid point 562 (181/186) ======================= q-point: ( 0.60 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( -1.480 -7.687 42.345) 43.063 4.929 ( 12.347 5.116 -6.113) 14.697 5.075 ( -1.441 5.081 -20.355) 21.029 5.539 ( 4.305 1.692 -30.947) 31.290 6.038 ( -13.118 -0.336 27.669) 30.623 6.503 ( -10.911 6.287 -17.162) 21.286 7.879 ( 11.355 -0.467 22.301) 25.029 8.131 ( -10.227 5.965 19.940) 23.190 8.296 ( 15.422 3.139 -18.595) 24.361 8.587 ( -11.030 5.279 -24.033) 26.965 9.079 ( -2.528 1.686 16.204) 16.486 9.483 ( 4.262 -2.018 -22.564) 23.052 11.373 ( 7.534 -21.263 9.155) 24.345 11.503 ( 3.723 -15.489 -4.217) 16.479 12.350 ( 0.892 10.002 6.262) 11.834 12.419 ( -0.119 2.958 -0.140) 2.964 12.929 ( 6.124 -5.626 16.080) 18.103 13.117 ( 15.680 -8.090 -1.466) 17.704 13.512 ( -17.007 -8.148 4.538) 19.397 13.598 ( -13.742 -6.654 -4.001) 15.783 14.447 ( -4.538 4.291 10.886) 12.550 14.658 ( -2.525 5.169 -10.876) 12.303 15.794 ( -0.919 8.466 15.261) 17.476 16.196 ( -0.136 9.834 -26.392) 28.165 18.044 ( 1.712 -1.142 10.772) 10.967 18.251 ( 3.825 4.310 -9.362) 10.993 18.454 ( -0.814 3.136 18.288) 18.572 18.793 ( 0.410 2.636 -15.854) 16.077 22.494 ( 0.358 -3.896 27.682) 27.957 22.955 ( 0.271 -4.113 -19.885) 20.308 27.497 ( -1.088 -4.798 8.479) 9.803 27.661 ( -0.574 -8.107 -8.187) 11.536 29.423 ( 6.266 1.240 11.626) 13.265 29.601 ( 3.603 4.071 5.602) 7.806 29.683 ( -3.711 3.451 5.079) 7.174 30.089 ( -0.827 9.528 -23.897) 25.740 ======================= Grid point 563 (182/186) ======================= q-point: (-0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.117 ( -0.000 3.738 33.910) 34.115 4.881 ( -0.000 11.090 -40.110) 41.615 4.919 ( -0.000 5.043 28.337) 28.782 5.547 ( -0.000 0.301 -33.308) 33.309 6.103 ( 0.000 -12.500 20.011) 23.594 6.415 ( 0.000 -2.968 -7.415) 7.987 7.894 ( -0.000 5.457 12.381) 13.530 8.075 ( 0.000 -5.758 19.303) 20.143 8.274 ( -0.000 7.317 -23.514) 24.626 8.481 ( 0.000 -0.294 -20.891) 20.893 9.103 ( 0.000 -4.801 23.479) 23.964 9.578 ( 0.000 -5.575 -24.237) 24.870 11.720 ( 0.000 -14.400 4.993) 15.241 11.779 ( 0.000 -13.829 -1.197) 13.881 11.956 ( -0.000 30.816 13.970) 33.834 12.148 ( -0.000 23.612 -5.938) 24.348 13.261 ( 0.000 -21.508 21.661) 30.525 13.442 ( -0.000 1.282 5.720) 5.862 13.518 ( -0.000 6.329 -2.218) 6.706 13.533 ( 0.000 -19.298 -5.845) 20.164 14.457 ( 0.000 -8.049 9.145) 12.183 14.633 ( 0.000 -4.627 -9.261) 10.353 15.664 ( -0.000 5.285 12.036) 13.146 16.034 ( -0.000 7.306 -26.452) 27.442 18.089 ( 0.000 -2.507 6.098) 6.593 18.215 ( -0.000 2.118 -6.755) 7.079 18.378 ( -0.000 4.839 20.019) 20.596 18.727 ( -0.000 4.811 -16.123) 16.825 22.548 ( 0.000 -1.882 27.607) 27.671 23.012 ( 0.000 -2.056 -20.245) 20.349 27.575 ( 0.000 -4.361 11.479) 12.280 27.800 ( 0.000 -7.576 -11.375) 13.667 29.456 ( -0.000 0.323 8.261) 8.268 29.492 ( -0.000 7.470 20.099) 21.442 29.631 ( -0.000 1.463 -9.227) 9.342 29.894 ( -0.000 11.297 -21.226) 24.045 ======================= Grid point 570 (183/186) ======================= q-point: ( 0.40 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( -1.219 -0.000 49.155) 49.171 4.653 ( 18.793 0.000 -39.969) 44.167 5.387 ( 8.288 0.000 -5.001) 9.680 5.508 ( -5.351 -0.000 -23.799) 24.393 6.489 ( -5.951 -0.000 30.246) 30.826 7.062 ( -3.810 -0.000 -28.077) 28.335 7.908 ( 7.006 0.000 26.204) 27.124 8.140 ( 27.412 0.000 0.609) 27.418 8.456 ( -0.593 -0.000 10.551) 10.567 8.784 ( -5.279 -0.000 -21.210) 21.857 9.435 ( -21.343 -0.000 -0.255) 21.345 9.457 ( -8.783 -0.000 -4.206) 9.738 10.430 ( 11.350 0.000 19.911) 22.919 10.856 ( 8.112 0.000 -21.822) 23.280 11.857 ( -5.744 -0.000 20.864) 21.640 12.191 ( -8.129 -0.000 -13.028) 15.356 12.799 ( 4.903 0.000 6.144) 7.860 12.931 ( 10.265 0.000 -7.569) 12.754 13.587 ( -17.031 -0.000 7.092) 18.448 13.675 ( -13.589 -0.000 -1.309) 13.652 14.778 ( -1.888 -0.000 9.163) 9.355 14.956 ( -2.910 -0.000 -9.079) 9.534 16.115 ( -2.735 -0.000 13.938) 14.204 16.432 ( -2.339 -0.000 -19.304) 19.445 18.107 ( 3.513 0.000 20.178) 20.482 18.485 ( 2.847 0.000 18.723) 18.938 18.498 ( 4.769 0.000 -19.603) 20.175 18.809 ( 3.021 0.000 -14.879) 15.182 22.308 ( -0.198 -0.000 27.420) 27.421 22.755 ( 0.140 0.000 -18.644) 18.644 27.383 ( -3.340 -0.000 0.985) 3.482 27.391 ( -1.791 -0.000 0.158) 1.798 29.392 ( 6.310 0.000 14.625) 15.928 29.661 ( 6.450 0.000 -12.757) 14.295 29.810 ( 0.866 0.000 26.183) 26.198 30.351 ( 3.485 0.000 -29.341) 29.547 ======================= Grid point 571 (184/186) ======================= q-point: ( 0.50 0.40 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( -0.923 -6.481 53.745) 54.142 4.857 ( 12.772 -4.066 -51.592) 53.304 5.338 ( 0.630 7.895 -2.173) 8.212 5.537 ( 1.394 -2.919 -18.607) 18.886 6.329 ( -7.743 9.301 31.181) 33.448 6.905 ( -5.434 11.171 -26.804) 29.543 7.944 ( 7.650 3.904 33.169) 34.263 8.370 ( 6.398 3.822 7.457) 10.542 8.411 ( 9.763 2.718 -1.332) 10.222 8.718 ( -6.770 1.359 -19.529) 20.714 9.198 ( -14.820 3.397 2.191) 15.361 9.420 ( -1.355 -1.967 -16.839) 17.007 10.672 ( 10.376 -13.510 19.074) 25.573 11.023 ( 7.327 -8.940 -16.488) 20.136 11.903 ( -6.492 -12.769 18.092) 23.077 12.177 ( -6.653 -8.994 -9.680) 14.794 12.925 ( 10.749 -4.642 9.561) 15.117 13.087 ( 14.662 -1.539 -6.525) 16.122 13.388 ( -17.180 2.165 5.974) 18.318 13.497 ( -14.982 3.214 -3.719) 15.768 14.711 ( -1.731 5.728 9.200) 10.975 14.891 ( -1.678 4.657 -9.304) 10.539 16.053 ( -1.414 4.505 15.455) 16.161 16.405 ( -1.052 1.472 -21.327) 21.404 18.104 ( 2.037 3.136 19.469) 19.825 18.466 ( 4.403 5.165 -6.622) 9.483 18.518 ( -0.377 1.092 6.702) 6.801 18.831 ( 1.244 0.086 -14.964) 15.015 22.339 ( 0.115 -3.388 27.656) 27.863 22.791 ( 0.172 -3.658 -18.916) 19.268 27.368 ( -1.399 -1.702 3.058) 3.770 27.422 ( -1.036 -4.437 -2.403) 5.151 29.443 ( 3.948 0.195 14.031) 14.577 29.700 ( 4.023 1.394 -10.950) 11.749 29.795 ( -0.912 2.025 25.483) 25.580 30.340 ( 1.245 3.974 -29.329) 29.623 ======================= Grid point 572 (185/186) ======================= q-point: (-0.40 -0.60 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.907 ( 0.000 -10.344 51.284) 52.317 5.016 ( 0.000 -4.429 -60.819) 60.980 5.187 ( -0.000 8.859 14.305) 16.826 5.577 ( 0.000 -0.289 -24.079) 24.080 6.075 ( -0.000 11.570 33.210) 35.168 6.634 ( -0.000 13.738 -23.144) 26.914 7.945 ( -0.000 0.831 32.499) 32.510 8.211 ( -0.000 9.158 16.643) 18.996 8.505 ( -0.000 3.230 -20.754) 21.004 8.570 ( -0.000 5.796 -18.942) 19.809 9.083 ( -0.000 1.552 11.790) 11.892 9.461 ( 0.000 -2.464 -22.441) 22.576 11.041 ( 0.000 -20.493 13.494) 24.537 11.271 ( 0.000 -13.704 -10.179) 17.071 12.166 ( 0.000 -19.215 15.042) 24.403 12.351 ( 0.000 -10.966 -4.283) 11.772 13.078 ( -0.000 11.485 10.588) 15.621 13.172 ( 0.000 -11.343 11.414) 16.091 13.270 ( -0.000 7.015 -7.089) 9.974 13.359 ( 0.000 -9.879 -7.942) 12.675 14.560 ( -0.000 9.142 10.689) 14.065 14.768 ( -0.000 7.585 -10.772) 13.175 15.935 ( -0.000 7.708 17.072) 18.732 16.338 ( -0.000 5.914 -24.845) 25.540 18.062 ( -0.000 2.128 16.230) 16.369 18.377 ( -0.000 7.040 -15.815) 17.311 18.490 ( -0.000 1.609 19.484) 19.550 18.828 ( -0.000 1.071 -15.431) 15.468 22.416 ( 0.000 -4.795 27.719) 28.130 22.873 ( 0.000 -5.065 -19.382) 20.033 27.412 ( 0.000 -3.877 5.656) 6.857 27.521 ( 0.000 -7.100 -5.363) 8.897 29.463 ( -0.000 0.132 12.340) 12.341 29.698 ( -0.000 1.759 -11.464) 11.598 29.721 ( -0.000 4.969 25.918) 26.390 30.242 ( -0.000 7.618 -27.636) 28.667 ======================= Grid point 583 (186/186) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 0.000 0.000 56.815) 56.815 4.889 ( 0.000 0.000 -62.692) 62.692 5.431 ( -0.000 -0.000 -3.249) 3.249 5.493 ( 0.000 0.000 -8.442) 8.442 6.381 ( 0.000 0.000 31.083) 31.083 6.989 ( 0.000 0.000 -29.859) 29.859 8.033 ( 0.000 0.000 37.448) 37.448 8.404 ( -0.000 -0.000 13.447) 13.447 8.599 ( 0.000 0.000 -13.017) 13.017 8.632 ( -0.000 -0.000 -9.532) 9.532 9.140 ( 0.000 0.000 -1.873) 1.873 9.384 ( 0.000 0.000 -18.973) 18.973 10.604 ( -0.000 -0.000 20.301) 20.301 10.983 ( 0.000 0.000 -18.244) 18.244 11.744 ( 0.000 0.000 19.036) 19.036 12.040 ( 0.000 0.000 -11.078) 11.078 12.938 ( 0.000 0.000 13.328) 13.328 13.158 ( 0.000 0.000 -9.548) 9.548 13.329 ( -0.000 -0.000 5.721) 5.721 13.436 ( 0.000 0.000 -4.023) 4.023 14.758 ( 0.000 0.000 8.506) 8.506 14.925 ( 0.000 0.000 -8.688) 8.688 16.087 ( 0.000 0.000 14.180) 14.180 16.408 ( 0.000 0.000 -19.403) 19.403 18.147 ( 0.000 0.000 20.770) 20.770 18.513 ( 0.000 0.000 18.931) 18.931 18.551 ( 0.000 0.000 -20.384) 20.384 18.838 ( 0.000 0.000 -14.739) 14.739 22.308 ( 0.000 0.000 27.654) 27.654 22.757 ( 0.000 0.000 -18.686) 18.686 27.349 ( 0.000 0.000 1.555) 1.555 27.373 ( 0.000 0.000 -0.903) 0.903 29.465 ( 0.000 0.000 14.319) 14.319 29.731 ( 0.000 0.000 -12.752) 12.752 29.812 ( 0.000 0.000 28.315) 28.315 30.383 ( 0.000 0.000 -30.370) 30.370 =================== 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 3/39600 10.0 1764.980 717.524 888.519 0.000 0.000 0.000 3/39600 20.0 2935.361 2271.968 3085.196 0.000 0.000 0.000 3/39600 30.0 1521.835 1469.513 1545.404 0.000 0.000 0.000 3/39600 40.0 802.678 842.071 783.584 0.000 0.000 0.000 3/39600 50.0 483.367 525.225 483.329 0.000 0.000 0.000 3/39600 60.0 323.980 359.115 336.874 0.000 0.000 0.000 3/39600 70.0 232.710 262.177 251.598 0.000 0.000 0.000 3/39600 80.0 175.167 200.237 196.302 0.000 0.000 0.000 3/39600 90.0 136.654 158.200 158.123 0.000 0.000 0.000 3/39600 100.0 109.808 128.493 130.674 0.000 0.000 0.000 3/39600 110.0 90.486 106.841 110.334 0.000 0.000 0.000 3/39600 120.0 76.193 90.646 94.879 0.000 0.000 0.000 3/39600 130.0 65.357 78.250 82.877 0.000 0.000 0.000 3/39600 140.0 56.958 68.561 73.374 0.000 0.000 0.000 3/39600 150.0 50.318 60.844 65.718 0.000 0.000 0.000 3/39600 160.0 44.973 54.592 59.451 0.000 0.000 0.000 3/39600 170.0 40.601 49.448 54.249 0.000 0.000 0.000 3/39600 180.0 36.972 45.157 49.876 0.000 0.000 0.000 3/39600 190.0 33.921 41.533 46.156 0.000 0.000 0.000 3/39600 200.0 31.326 38.438 42.959 0.000 0.000 0.000 3/39600 210.0 29.096 35.768 40.185 0.000 0.000 0.000 3/39600 220.0 27.162 33.444 37.758 0.000 0.000 0.000 3/39600 230.0 25.469 31.405 35.617 0.000 0.000 0.000 3/39600 240.0 23.977 29.602 33.715 0.000 0.000 0.000 3/39600 250.0 22.653 27.998 32.016 0.000 0.000 0.000 3/39600 260.0 21.471 26.561 30.487 0.000 0.000 0.000 3/39600 270.0 20.408 25.268 29.105 0.000 0.000 0.000 3/39600 280.0 19.449 24.098 27.850 0.000 0.000 0.000 3/39600 290.0 18.578 23.034 26.704 0.000 0.000 0.000 3/39600 300.0 17.785 22.063 25.653 0.000 0.000 0.000 3/39600 310.0 17.059 21.173 24.687 0.000 0.000 0.000 3/39600 320.0 16.392 20.355 23.795 0.000 0.000 0.000 3/39600 330.0 15.777 19.599 22.968 0.000 0.000 0.000 3/39600 340.0 15.209 18.900 22.201 0.000 0.000 0.000 3/39600 350.0 14.681 18.250 21.485 0.000 0.000 0.000 3/39600 360.0 14.191 17.646 20.817 0.000 0.000 0.000 3/39600 370.0 13.734 17.081 20.191 0.000 0.000 0.000 3/39600 380.0 13.306 16.553 19.604 0.000 0.000 0.000 3/39600 390.0 12.906 16.058 19.051 0.000 0.000 0.000 3/39600 400.0 12.530 15.593 18.531 0.000 0.000 0.000 3/39600 410.0 12.176 15.155 18.039 0.000 0.000 0.000 3/39600 420.0 11.843 14.742 17.574 0.000 0.000 0.000 3/39600 430.0 11.528 14.352 17.133 0.000 0.000 0.000 3/39600 440.0 11.230 13.983 16.715 0.000 0.000 0.000 3/39600 450.0 10.948 13.632 16.318 0.000 0.000 0.000 3/39600 460.0 10.680 13.300 15.940 0.000 0.000 0.000 3/39600 470.0 10.426 12.984 15.579 0.000 0.000 0.000 3/39600 480.0 10.183 12.684 15.235 0.000 0.000 0.000 3/39600 490.0 9.953 12.397 14.907 0.000 0.000 0.000 3/39600 500.0 9.733 12.123 14.593 0.000 0.000 0.000 3/39600 510.0 9.523 11.862 14.292 0.000 0.000 0.000 3/39600 520.0 9.322 11.612 14.004 0.000 0.000 0.000 3/39600 530.0 9.129 11.373 13.728 0.000 0.000 0.000 3/39600 540.0 8.945 11.144 13.463 0.000 0.000 0.000 3/39600 550.0 8.768 10.924 13.208 0.000 0.000 0.000 3/39600 560.0 8.599 10.713 12.963 0.000 0.000 0.000 3/39600 570.0 8.436 10.511 12.727 0.000 0.000 0.000 3/39600 580.0 8.279 10.316 12.499 0.000 0.000 0.000 3/39600 590.0 8.129 10.128 12.280 0.000 0.000 0.000 3/39600 600.0 7.983 9.947 12.069 0.000 0.000 0.000 3/39600 610.0 7.844 9.773 11.865 0.000 0.000 0.000 3/39600 620.0 7.709 9.605 11.668 0.000 0.000 0.000 3/39600 630.0 7.578 9.443 11.477 0.000 0.000 0.000 3/39600 640.0 7.453 9.286 11.293 0.000 0.000 0.000 3/39600 650.0 7.331 9.135 11.115 0.000 0.000 0.000 3/39600 660.0 7.214 8.988 10.942 0.000 0.000 0.000 3/39600 670.0 7.100 8.847 10.775 0.000 0.000 0.000 3/39600 680.0 6.990 8.710 10.613 0.000 0.000 0.000 3/39600 690.0 6.883 8.577 10.455 0.000 0.000 0.000 3/39600 700.0 6.780 8.448 10.303 0.000 0.000 0.000 3/39600 710.0 6.680 8.323 10.155 0.000 0.000 0.000 3/39600 720.0 6.582 8.202 10.011 0.000 0.000 0.000 3/39600 730.0 6.488 8.084 9.871 0.000 0.000 0.000 3/39600 740.0 6.396 7.970 9.736 0.000 0.000 0.000 3/39600 750.0 6.307 7.859 9.603 0.000 0.000 0.000 3/39600 760.0 6.221 7.752 9.475 0.000 0.000 0.000 3/39600 770.0 6.137 7.647 9.350 0.000 0.000 0.000 3/39600 780.0 6.055 7.545 9.228 0.000 0.000 0.000 3/39600 790.0 5.975 7.446 9.110 0.000 0.000 0.000 3/39600 800.0 5.898 7.349 8.994 0.000 0.000 0.000 3/39600 810.0 5.822 7.255 8.882 0.000 0.000 0.000 3/39600 820.0 5.749 7.163 8.772 0.000 0.000 0.000 3/39600 830.0 5.677 7.074 8.665 0.000 0.000 0.000 3/39600 840.0 5.607 6.987 8.560 0.000 0.000 0.000 3/39600 850.0 5.539 6.902 8.459 0.000 0.000 0.000 3/39600 860.0 5.473 6.819 8.359 0.000 0.000 0.000 3/39600 870.0 5.408 6.738 8.262 0.000 0.000 0.000 3/39600 880.0 5.345 6.659 8.167 0.000 0.000 0.000 3/39600 890.0 5.283 6.582 8.074 0.000 0.000 0.000 3/39600 900.0 5.222 6.507 7.984 0.000 0.000 0.000 3/39600 910.0 5.163 6.433 7.895 0.000 0.000 0.000 3/39600 920.0 5.106 6.362 7.808 0.000 0.000 0.000 3/39600 930.0 5.049 6.291 7.724 0.000 0.000 0.000 3/39600 940.0 4.994 6.223 7.641 0.000 0.000 0.000 3/39600 950.0 4.940 6.156 7.560 0.000 0.000 0.000 3/39600 960.0 4.888 6.090 7.480 0.000 0.000 0.000 3/39600 970.0 4.836 6.025 7.403 0.000 0.000 0.000 3/39600 980.0 4.786 5.963 7.327 0.000 0.000 0.000 3/39600 990.0 4.736 5.901 7.252 0.000 0.000 0.000 3/39600 1000.0 4.688 5.841 7.179 0.000 0.000 0.000 3/39600 Thermal conductivity related properties were written into "kappa-m101011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:56:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|