----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:01:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.284069820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.933853310000000 Atomic positions (fractional): *1 O 0.00000000000000 0.55515843321210 0.25000000000000 15.999 2 O 0.50000000000000 0.94484156678790 0.75000000000000 15.999 3 O 0.00000000000000 0.44484156678790 0.75000000000000 15.999 4 O 0.50000000000000 0.05515843321210 0.25000000000000 15.999 *5 O 0.85160112460860 0.93661441113105 0.54933448281047 15.999 6 O 0.64839887539140 0.56338558886895 0.04933448281047 15.999 7 O 0.35160112460859 0.56338558886895 0.45066551718953 15.999 8 O 0.14839887539141 0.93661441113105 0.95066551718953 15.999 9 O 0.14839887539141 0.06338558886895 0.45066551718953 15.999 10 O 0.35160112460859 0.43661441113105 0.95066551718953 15.999 11 O 0.64839887539140 0.43661441113105 0.54933448281047 15.999 12 O 0.85160112460860 0.06338558886895 0.04933448281047 15.999 *13 O 0.69198771757170 0.29256877195656 0.19232359655267 15.999 14 O 0.80801228242830 0.20743122804344 0.69232359655267 15.999 15 O 0.19198771757170 0.20743122804344 0.80767640344733 15.999 16 O 0.30801228242830 0.29256877195656 0.30767640344733 15.999 17 O 0.30801228242830 0.70743122804344 0.80767640344733 15.999 18 O 0.19198771757170 0.79256877195656 0.30767640344733 15.999 19 O 0.80801228242830 0.79256877195656 0.19232359655267 15.999 20 O 0.69198771757170 0.70743122804344 0.69232359655267 15.999 *21 Mg 0.50000000000000 0.44132482125576 0.25000000000000 24.305 22 Mg 0.00000000000000 0.05867517874424 0.75000000000000 24.305 23 Mg 0.50000000000000 0.55867517874424 0.75000000000000 24.305 24 Mg 0.00000000000000 0.94132482125576 0.25000000000000 24.305 *25 Te 0.36607397308483 0.15313685780523 0.49392892338923 127.600 26 Te 0.13392602691517 0.34686314219477 0.99392892338923 127.600 27 Te 0.86607397308483 0.34686314219477 0.50607107661077 127.600 28 Te 0.63392602691517 0.15313685780523 0.00607107661077 127.600 29 Te 0.36607397308483 0.84686314219477 0.99392892338923 127.600 30 Te 0.13392602691517 0.65313685780523 0.49392892338923 127.600 31 Te 0.86607397308483 0.65313685780523 0.00607107661077 127.600 32 Te 0.63392602691517 0.84686314219477 0.50607107661077 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.284069820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.933853310000000 Atomic positions (fractional): *1 O 0.00000000000000 0.55515843321210 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.94484156678790 0.75000000000000 15.999 > 2 3 O 0.00000000000000 0.44484156678790 0.75000000000000 15.999 > 3 4 O 0.50000000000000 0.05515843321210 0.25000000000000 15.999 > 4 *5 O 0.85160112460860 0.93661441113105 0.54933448281047 15.999 > 5 6 O 0.64839887539140 0.56338558886895 0.04933448281047 15.999 > 6 7 O 0.35160112460859 0.56338558886895 0.45066551718953 15.999 > 7 8 O 0.14839887539141 0.93661441113105 0.95066551718953 15.999 > 8 9 O 0.14839887539141 0.06338558886895 0.45066551718953 15.999 > 9 10 O 0.35160112460859 0.43661441113105 0.95066551718953 15.999 > 10 11 O 0.64839887539140 0.43661441113105 0.54933448281047 15.999 > 11 12 O 0.85160112460860 0.06338558886895 0.04933448281047 15.999 > 12 *13 O 0.69198771757170 0.29256877195656 0.19232359655267 15.999 > 13 14 O 0.80801228242830 0.20743122804344 0.69232359655267 15.999 > 14 15 O 0.19198771757170 0.20743122804344 0.80767640344733 15.999 > 15 16 O 0.30801228242830 0.29256877195656 0.30767640344733 15.999 > 16 17 O 0.30801228242830 0.70743122804344 0.80767640344733 15.999 > 17 18 O 0.19198771757170 0.79256877195656 0.30767640344733 15.999 > 18 19 O 0.80801228242830 0.79256877195656 0.19232359655267 15.999 > 19 20 O 0.69198771757170 0.70743122804344 0.69232359655267 15.999 > 20 *21 Mg 0.50000000000000 0.44132482125576 0.25000000000000 24.305 > 21 22 Mg 0.00000000000000 0.05867517874424 0.75000000000000 24.305 > 22 23 Mg 0.50000000000000 0.55867517874424 0.75000000000000 24.305 > 23 24 Mg 0.00000000000000 0.94132482125576 0.25000000000000 24.305 > 24 *25 Te 0.36607397308483 0.15313685780523 0.49392892338923 127.600 > 25 26 Te 0.13392602691517 0.34686314219477 0.99392892338923 127.600 > 26 27 Te 0.86607397308483 0.34686314219477 0.50607107661077 127.600 > 27 28 Te 0.63392602691517 0.15313685780523 0.00607107661077 127.600 > 28 29 Te 0.36607397308483 0.84686314219477 0.99392892338923 127.600 > 29 30 Te 0.13392602691517 0.65313685780523 0.49392892338923 127.600 > 30 31 Te 0.86607397308483 0.65313685780523 0.00607107661077 127.600 > 31 32 Te 0.63392602691517 0.84686314219477 0.50607107661077 127.600 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.568139640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.867706620000000 Atomic positions (fractional): *1 O 0.00000000000000 0.55515843321210 0.12500000000000 15.999 > 1 2 O 0.50000000000000 0.55515843321210 0.12500000000000 15.999 > 1 3 O 0.00000000000000 0.55515843321210 0.62500000000000 15.999 > 1 4 O 0.50000000000000 0.55515843321210 0.62500000000000 15.999 > 1 5 O 0.25000000000000 0.94484156678790 0.37500000000000 15.999 > 2 6 O 0.75000000000000 0.94484156678790 0.37500000000000 15.999 > 2 7 O 0.25000000000000 0.94484156678790 0.87500000000000 15.999 > 2 8 O 0.75000000000000 0.94484156678790 0.87500000000000 15.999 > 2 9 O 0.00000000000000 0.44484156678790 0.37500000000000 15.999 > 3 10 O 0.50000000000000 0.44484156678790 0.37500000000000 15.999 > 3 11 O 0.00000000000000 0.44484156678790 0.87500000000000 15.999 > 3 12 O 0.50000000000000 0.44484156678790 0.87500000000000 15.999 > 3 13 O 0.25000000000000 0.05515843321210 0.12500000000000 15.999 > 4 14 O 0.75000000000000 0.05515843321210 0.12500000000000 15.999 > 4 15 O 0.25000000000000 0.05515843321210 0.62500000000000 15.999 > 4 16 O 0.75000000000000 0.05515843321210 0.62500000000000 15.999 > 4 *17 O 0.42580056230430 0.93661441113105 0.27466724140523 15.999 > 5 18 O 0.92580056230430 0.93661441113105 0.27466724140523 15.999 > 5 19 O 0.42580056230430 0.93661441113105 0.77466724140523 15.999 > 5 20 O 0.92580056230430 0.93661441113105 0.77466724140523 15.999 > 5 21 O 0.32419943769570 0.56338558886895 0.02466724140523 15.999 > 6 22 O 0.82419943769570 0.56338558886895 0.02466724140523 15.999 > 6 23 O 0.32419943769570 0.56338558886895 0.52466724140523 15.999 > 6 24 O 0.82419943769570 0.56338558886895 0.52466724140523 15.999 > 6 25 O 0.17580056230430 0.56338558886895 0.22533275859477 15.999 > 7 26 O 0.67580056230430 0.56338558886895 0.22533275859477 15.999 > 7 27 O 0.17580056230430 0.56338558886895 0.72533275859477 15.999 > 7 28 O 0.67580056230430 0.56338558886895 0.72533275859477 15.999 > 7 29 O 0.07419943769570 0.93661441113105 0.47533275859477 15.999 > 8 30 O 0.57419943769570 0.93661441113105 0.47533275859477 15.999 > 8 31 O 0.07419943769570 0.93661441113105 0.97533275859477 15.999 > 8 32 O 0.57419943769570 0.93661441113105 0.97533275859477 15.999 > 8 33 O 0.07419943769570 0.06338558886895 0.22533275859477 15.999 > 9 34 O 0.57419943769570 0.06338558886895 0.22533275859477 15.999 > 9 35 O 0.07419943769570 0.06338558886895 0.72533275859477 15.999 > 9 36 O 0.57419943769570 0.06338558886895 0.72533275859477 15.999 > 9 37 O 0.17580056230430 0.43661441113105 0.47533275859477 15.999 > 10 38 O 0.67580056230430 0.43661441113105 0.47533275859477 15.999 > 10 39 O 0.17580056230430 0.43661441113105 0.97533275859477 15.999 > 10 40 O 0.67580056230430 0.43661441113105 0.97533275859477 15.999 > 10 41 O 0.32419943769570 0.43661441113105 0.27466724140523 15.999 > 11 42 O 0.82419943769570 0.43661441113105 0.27466724140523 15.999 > 11 43 O 0.32419943769570 0.43661441113105 0.77466724140523 15.999 > 11 44 O 0.82419943769570 0.43661441113105 0.77466724140523 15.999 > 11 45 O 0.42580056230430 0.06338558886895 0.02466724140523 15.999 > 12 46 O 0.92580056230430 0.06338558886895 0.02466724140523 15.999 > 12 47 O 0.42580056230430 0.06338558886895 0.52466724140523 15.999 > 12 48 O 0.92580056230430 0.06338558886895 0.52466724140523 15.999 > 12 *49 O 0.34599385878585 0.29256877195656 0.09616179827633 15.999 > 13 50 O 0.84599385878585 0.29256877195656 0.09616179827633 15.999 > 13 51 O 0.34599385878585 0.29256877195656 0.59616179827633 15.999 > 13 52 O 0.84599385878585 0.29256877195656 0.59616179827633 15.999 > 13 53 O 0.40400614121415 0.20743122804344 0.34616179827633 15.999 > 14 54 O 0.90400614121415 0.20743122804344 0.34616179827633 15.999 > 14 55 O 0.40400614121415 0.20743122804344 0.84616179827633 15.999 > 14 56 O 0.90400614121415 0.20743122804344 0.84616179827633 15.999 > 14 57 O 0.09599385878585 0.20743122804344 0.40383820172367 15.999 > 15 58 O 0.59599385878585 0.20743122804344 0.40383820172367 15.999 > 15 59 O 0.09599385878585 0.20743122804344 0.90383820172367 15.999 > 15 60 O 0.59599385878585 0.20743122804344 0.90383820172367 15.999 > 15 61 O 0.15400614121415 0.29256877195656 0.15383820172367 15.999 > 16 62 O 0.65400614121415 0.29256877195656 0.15383820172367 15.999 > 16 63 O 0.15400614121415 0.29256877195656 0.65383820172367 15.999 > 16 64 O 0.65400614121415 0.29256877195656 0.65383820172367 15.999 > 16 65 O 0.15400614121415 0.70743122804344 0.40383820172367 15.999 > 17 66 O 0.65400614121415 0.70743122804344 0.40383820172367 15.999 > 17 67 O 0.15400614121415 0.70743122804344 0.90383820172367 15.999 > 17 68 O 0.65400614121415 0.70743122804344 0.90383820172367 15.999 > 17 69 O 0.09599385878585 0.79256877195656 0.15383820172367 15.999 > 18 70 O 0.59599385878585 0.79256877195656 0.15383820172367 15.999 > 18 71 O 0.09599385878585 0.79256877195656 0.65383820172367 15.999 > 18 72 O 0.59599385878585 0.79256877195656 0.65383820172367 15.999 > 18 73 O 0.40400614121415 0.79256877195656 0.09616179827633 15.999 > 19 74 O 0.90400614121415 0.79256877195656 0.09616179827633 15.999 > 19 75 O 0.40400614121415 0.79256877195656 0.59616179827633 15.999 > 19 76 O 0.90400614121415 0.79256877195656 0.59616179827633 15.999 > 19 77 O 0.34599385878585 0.70743122804344 0.34616179827633 15.999 > 20 78 O 0.84599385878585 0.70743122804344 0.34616179827633 15.999 > 20 79 O 0.34599385878585 0.70743122804344 0.84616179827633 15.999 > 20 80 O 0.84599385878585 0.70743122804344 0.84616179827633 15.999 > 20 *81 Mg 0.25000000000000 0.44132482125576 0.12500000000000 24.305 > 21 82 Mg 0.75000000000000 0.44132482125576 0.12500000000000 24.305 > 21 83 Mg 0.25000000000000 0.44132482125576 0.62500000000000 24.305 > 21 84 Mg 0.75000000000000 0.44132482125576 0.62500000000000 24.305 > 21 85 Mg 0.00000000000000 0.05867517874424 0.37500000000000 24.305 > 22 86 Mg 0.50000000000000 0.05867517874424 0.37500000000000 24.305 > 22 87 Mg 0.00000000000000 0.05867517874424 0.87500000000000 24.305 > 22 88 Mg 0.50000000000000 0.05867517874424 0.87500000000000 24.305 > 22 89 Mg 0.25000000000000 0.55867517874424 0.37500000000000 24.305 > 23 90 Mg 0.75000000000000 0.55867517874424 0.37500000000000 24.305 > 23 91 Mg 0.25000000000000 0.55867517874424 0.87500000000000 24.305 > 23 92 Mg 0.75000000000000 0.55867517874424 0.87500000000000 24.305 > 23 93 Mg 0.00000000000000 0.94132482125576 0.12500000000000 24.305 > 24 94 Mg 0.50000000000000 0.94132482125576 0.12500000000000 24.305 > 24 95 Mg 0.00000000000000 0.94132482125576 0.62500000000000 24.305 > 24 96 Mg 0.50000000000000 0.94132482125576 0.62500000000000 24.305 > 24 *97 Te 0.18303698654241 0.15313685780523 0.24696446169462 127.600 > 25 98 Te 0.68303698654241 0.15313685780523 0.24696446169462 127.600 > 25 99 Te 0.18303698654241 0.15313685780523 0.74696446169462 127.600 > 25 100 Te 0.68303698654241 0.15313685780523 0.74696446169462 127.600 > 25 101 Te 0.06696301345759 0.34686314219477 0.49696446169462 127.600 > 26 102 Te 0.56696301345759 0.34686314219477 0.49696446169462 127.600 > 26 103 Te 0.06696301345759 0.34686314219477 0.99696446169462 127.600 > 26 104 Te 0.56696301345759 0.34686314219477 0.99696446169462 127.600 > 26 105 Te 0.43303698654241 0.34686314219477 0.25303553830538 127.600 > 27 106 Te 0.93303698654241 0.34686314219477 0.25303553830538 127.600 > 27 107 Te 0.43303698654241 0.34686314219477 0.75303553830538 127.600 > 27 108 Te 0.93303698654241 0.34686314219477 0.75303553830538 127.600 > 27 109 Te 0.31696301345759 0.15313685780523 0.00303553830538 127.600 > 28 110 Te 0.81696301345759 0.15313685780523 0.00303553830538 127.600 > 28 111 Te 0.31696301345759 0.15313685780523 0.50303553830538 127.600 > 28 112 Te 0.81696301345759 0.15313685780523 0.50303553830538 127.600 > 28 113 Te 0.18303698654241 0.84686314219477 0.49696446169462 127.600 > 29 114 Te 0.68303698654241 0.84686314219477 0.49696446169462 127.600 > 29 115 Te 0.18303698654241 0.84686314219477 0.99696446169462 127.600 > 29 116 Te 0.68303698654241 0.84686314219477 0.99696446169462 127.600 > 29 117 Te 0.06696301345759 0.65313685780523 0.24696446169462 127.600 > 30 118 Te 0.56696301345759 0.65313685780523 0.24696446169462 127.600 > 30 119 Te 0.06696301345759 0.65313685780523 0.74696446169462 127.600 > 30 120 Te 0.56696301345759 0.65313685780523 0.74696446169462 127.600 > 30 121 Te 0.43303698654241 0.65313685780523 0.00303553830538 127.600 > 31 122 Te 0.93303698654241 0.65313685780523 0.00303553830538 127.600 > 31 123 Te 0.43303698654241 0.65313685780523 0.50303553830538 127.600 > 31 124 Te 0.93303698654241 0.65313685780523 0.50303553830538 127.600 > 31 125 Te 0.31696301345759 0.84686314219477 0.25303553830538 127.600 > 32 126 Te 0.81696301345759 0.84686314219477 0.25303553830538 127.600 > 32 127 Te 0.31696301345759 0.84686314219477 0.75303553830538 127.600 > 32 128 Te 0.81696301345759 0.84686314219477 0.75303553830538 127.600 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4207628 0.0000000 0.0000000 0.0000000 4.6143003 0.0000000 0.0000000 0.0000000 5.3846483 -------------------------- Born effective charges -------------------------- 1 O -2.0454750 0.0000000 -2.0144932 0.0000000 -2.5770332 0.0000000 -0.9854178 0.0000000 -3.6701821 2 O -2.0454750 0.0000000 2.0144932 0.0000000 -2.5770332 0.0000000 0.9854178 0.0000000 -3.6701821 3 O -2.0454750 0.0000000 -2.0144932 0.0000000 -2.5770332 0.0000000 -0.9854178 0.0000000 -3.6701821 4 O -2.0454750 0.0000000 2.0144932 0.0000000 -2.5770332 0.0000000 0.9854178 0.0000000 -3.6701821 5 O -2.1721941 -0.4976759 -0.0515441 -0.8610047 -1.7550003 -0.3923403 0.3590349 -0.1475221 -1.3752384 6 O -2.1721941 -0.4976759 0.0515441 -0.8610047 -1.7550003 0.3923403 -0.3590349 0.1475221 -1.3752384 7 O -2.1721941 0.4976759 0.0515441 0.8610047 -1.7550003 -0.3923403 -0.3590349 -0.1475221 -1.3752384 8 O -2.1721941 0.4976759 -0.0515441 0.8610047 -1.7550003 0.3923403 0.3590349 0.1475221 -1.3752384 9 O -2.1721941 -0.4976759 -0.0515441 -0.8610047 -1.7550003 -0.3923403 0.3590349 -0.1475221 -1.3752384 10 O -2.1721941 -0.4976759 0.0515441 -0.8610047 -1.7550003 0.3923403 -0.3590349 0.1475221 -1.3752384 11 O -2.1721941 0.4976759 0.0515441 0.8610047 -1.7550003 -0.3923403 -0.3590349 -0.1475221 -1.3752384 12 O -2.1721941 0.4976759 -0.0515441 0.8610047 -1.7550003 0.3923403 0.3590349 0.1475221 -1.3752384 13 O -1.7977722 -0.5614578 -0.7029720 -0.7473446 -2.1526312 -1.3989956 -0.9771427 -1.2607056 -2.7142252 14 O -1.7977722 -0.5614578 0.7029720 -0.7473446 -2.1526312 1.3989956 0.9771427 1.2607056 -2.7142252 15 O -1.7977722 0.5614578 0.7029720 0.7473446 -2.1526312 -1.3989956 0.9771427 -1.2607056 -2.7142252 16 O -1.7977722 0.5614578 -0.7029720 0.7473446 -2.1526312 1.3989956 -0.9771427 1.2607056 -2.7142252 17 O -1.7977722 -0.5614578 -0.7029720 -0.7473446 -2.1526312 -1.3989956 -0.9771427 -1.2607056 -2.7142252 18 O -1.7977722 -0.5614578 0.7029720 -0.7473446 -2.1526312 1.3989956 0.9771427 1.2607056 -2.7142252 19 O -1.7977722 0.5614578 0.7029720 0.7473446 -2.1526312 -1.3989956 0.9771427 -1.2607056 -2.7142252 20 O -1.7977722 0.5614578 -0.7029720 0.7473446 -2.1526312 1.3989956 -0.9771427 1.2607056 -2.7142252 21 Mg 2.4750129 0.0000000 0.0356011 0.0000000 2.5880004 0.0000000 0.1151814 0.0000000 1.9781553 22 Mg 2.4750129 0.0000000 -0.0356011 0.0000000 2.5880004 0.0000000 -0.1151814 0.0000000 1.9781553 23 Mg 2.4750129 0.0000000 0.0356011 0.0000000 2.5880004 0.0000000 0.1151814 0.0000000 1.9781553 24 Mg 2.4750129 0.0000000 -0.0356011 0.0000000 2.5880004 0.0000000 -0.1151814 0.0000000 1.9781553 25 Te 3.7551974 -1.1102382 -1.4242473 -0.8435837 3.9021479 0.6460120 -1.3982371 0.0500023 4.9354769 26 Te 3.7551974 -1.1102382 1.4242473 -0.8435837 3.9021479 -0.6460120 1.3982371 -0.0500023 4.9354769 27 Te 3.7551974 1.1102382 1.4242473 0.8435837 3.9021479 0.6460120 1.3982371 0.0500023 4.9354769 28 Te 3.7551974 1.1102382 -1.4242473 0.8435837 3.9021479 -0.6460120 -1.3982371 -0.0500023 4.9354769 29 Te 3.7551974 1.1102382 -1.4242473 0.8435837 3.9021479 -0.6460120 -1.3982371 -0.0500023 4.9354769 30 Te 3.7551974 1.1102382 1.4242473 0.8435837 3.9021479 0.6460120 1.3982371 0.0500023 4.9354769 31 Te 3.7551974 -1.1102382 1.4242473 -0.8435837 3.9021479 -0.6460120 1.3982371 -0.0500023 4.9354769 32 Te 3.7551974 -1.1102382 -1.4242473 -0.8435837 3.9021479 0.6460120 -1.3982371 0.0500023 4.9354769 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2404 Number of blocks in projector: 2404 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 240 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (2404, 2367), data: False |-- (292, 287), data: True |-- (292, 287), data: True |-- (292, 287), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (520, 510), data: False |-- (520, 510), data: False |-- (520, 8), data: (520, 18) @ (18, 8) |-- (270, 262), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.828 Solver_block: 200 / 480 - Time: 0.783 Solver_block: 300 / 480 - Time: 0.774 Solver_block: 400 / 480 - Time: 0.775 Solver_block: 480 / 480 - Time: 0.639 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.890 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2404 Number of blocks in projector: 2404 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 240 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (2404, 2367), data: False |-- (292, 287), data: True |-- (292, 287), data: True |-- (292, 287), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (520, 510), data: False |-- (520, 510), data: False |-- (520, 8), data: (520, 18) @ (18, 8) |-- (270, 262), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:01:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:01:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.284069820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.933853310000000 Atomic positions (fractional): 1 O 0.00000000000000 0.55515843321210 0.25000000000000 15.999 2 O 0.50000000000000 0.94484156678790 0.75000000000000 15.999 3 O 0.00000000000000 0.44484156678790 0.75000000000000 15.999 4 O 0.50000000000000 0.05515843321210 0.25000000000000 15.999 5 O 0.85160112460860 0.93661441113105 0.54933448281047 15.999 6 O 0.64839887539140 0.56338558886895 0.04933448281047 15.999 7 O 0.35160112460859 0.56338558886895 0.45066551718953 15.999 8 O 0.14839887539141 0.93661441113105 0.95066551718953 15.999 9 O 0.14839887539141 0.06338558886895 0.45066551718953 15.999 10 O 0.35160112460859 0.43661441113105 0.95066551718953 15.999 11 O 0.64839887539140 0.43661441113105 0.54933448281047 15.999 12 O 0.85160112460860 0.06338558886895 0.04933448281047 15.999 13 O 0.69198771757170 0.29256877195656 0.19232359655267 15.999 14 O 0.80801228242830 0.20743122804344 0.69232359655267 15.999 15 O 0.19198771757170 0.20743122804344 0.80767640344733 15.999 16 O 0.30801228242830 0.29256877195656 0.30767640344733 15.999 17 O 0.30801228242830 0.70743122804344 0.80767640344733 15.999 18 O 0.19198771757170 0.79256877195656 0.30767640344733 15.999 19 O 0.80801228242830 0.79256877195656 0.19232359655267 15.999 20 O 0.69198771757170 0.70743122804344 0.69232359655267 15.999 21 Mg 0.50000000000000 0.44132482125576 0.25000000000000 24.305 22 Mg 0.00000000000000 0.05867517874424 0.75000000000000 24.305 23 Mg 0.50000000000000 0.55867517874424 0.75000000000000 24.305 24 Mg 0.00000000000000 0.94132482125576 0.25000000000000 24.305 25 Te 0.36607397308483 0.15313685780523 0.49392892338923 127.600 26 Te 0.13392602691517 0.34686314219477 0.99392892338923 127.600 27 Te 0.86607397308483 0.34686314219477 0.50607107661077 127.600 28 Te 0.63392602691517 0.15313685780523 0.00607107661077 127.600 29 Te 0.36607397308483 0.84686314219477 0.99392892338923 127.600 30 Te 0.13392602691517 0.65313685780523 0.49392892338923 127.600 31 Te 0.86607397308483 0.65313685780523 0.00607107661077 127.600 32 Te 0.63392602691517 0.84686314219477 0.50607107661077 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.568139640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.867706620000000 Atomic positions (fractional): 1 O 0.00000000000000 0.55515843321210 0.12500000000000 15.999 > 1 2 O 0.50000000000000 0.55515843321210 0.12500000000000 15.999 > 1 3 O 0.00000000000000 0.55515843321210 0.62500000000000 15.999 > 1 4 O 0.50000000000000 0.55515843321210 0.62500000000000 15.999 > 1 5 O 0.25000000000000 0.94484156678790 0.37500000000000 15.999 > 5 6 O 0.75000000000000 0.94484156678790 0.37500000000000 15.999 > 5 7 O 0.25000000000000 0.94484156678790 0.87500000000000 15.999 > 5 8 O 0.75000000000000 0.94484156678790 0.87500000000000 15.999 > 5 9 O 0.00000000000000 0.44484156678790 0.37500000000000 15.999 > 9 10 O 0.50000000000000 0.44484156678790 0.37500000000000 15.999 > 9 11 O 0.00000000000000 0.44484156678790 0.87500000000000 15.999 > 9 12 O 0.50000000000000 0.44484156678790 0.87500000000000 15.999 > 9 13 O 0.25000000000000 0.05515843321210 0.12500000000000 15.999 > 13 14 O 0.75000000000000 0.05515843321210 0.12500000000000 15.999 > 13 15 O 0.25000000000000 0.05515843321210 0.62500000000000 15.999 > 13 16 O 0.75000000000000 0.05515843321210 0.62500000000000 15.999 > 13 17 O 0.42580056230430 0.93661441113105 0.27466724140523 15.999 > 17 18 O 0.92580056230430 0.93661441113105 0.27466724140523 15.999 > 17 19 O 0.42580056230430 0.93661441113105 0.77466724140523 15.999 > 17 20 O 0.92580056230430 0.93661441113105 0.77466724140523 15.999 > 17 21 O 0.32419943769570 0.56338558886895 0.02466724140523 15.999 > 21 22 O 0.82419943769570 0.56338558886895 0.02466724140523 15.999 > 21 23 O 0.32419943769570 0.56338558886895 0.52466724140523 15.999 > 21 24 O 0.82419943769570 0.56338558886895 0.52466724140523 15.999 > 21 25 O 0.17580056230430 0.56338558886895 0.22533275859477 15.999 > 25 26 O 0.67580056230430 0.56338558886895 0.22533275859477 15.999 > 25 27 O 0.17580056230430 0.56338558886895 0.72533275859477 15.999 > 25 28 O 0.67580056230430 0.56338558886895 0.72533275859477 15.999 > 25 29 O 0.07419943769570 0.93661441113105 0.47533275859477 15.999 > 29 30 O 0.57419943769570 0.93661441113105 0.47533275859477 15.999 > 29 31 O 0.07419943769570 0.93661441113105 0.97533275859477 15.999 > 29 32 O 0.57419943769570 0.93661441113105 0.97533275859477 15.999 > 29 33 O 0.07419943769570 0.06338558886895 0.22533275859477 15.999 > 33 34 O 0.57419943769570 0.06338558886895 0.22533275859477 15.999 > 33 35 O 0.07419943769570 0.06338558886895 0.72533275859477 15.999 > 33 36 O 0.57419943769570 0.06338558886895 0.72533275859477 15.999 > 33 37 O 0.17580056230430 0.43661441113105 0.47533275859477 15.999 > 37 38 O 0.67580056230430 0.43661441113105 0.47533275859477 15.999 > 37 39 O 0.17580056230430 0.43661441113105 0.97533275859477 15.999 > 37 40 O 0.67580056230430 0.43661441113105 0.97533275859477 15.999 > 37 41 O 0.32419943769570 0.43661441113105 0.27466724140523 15.999 > 41 42 O 0.82419943769570 0.43661441113105 0.27466724140523 15.999 > 41 43 O 0.32419943769570 0.43661441113105 0.77466724140523 15.999 > 41 44 O 0.82419943769570 0.43661441113105 0.77466724140523 15.999 > 41 45 O 0.42580056230430 0.06338558886895 0.02466724140523 15.999 > 45 46 O 0.92580056230430 0.06338558886895 0.02466724140523 15.999 > 45 47 O 0.42580056230430 0.06338558886895 0.52466724140523 15.999 > 45 48 O 0.92580056230430 0.06338558886895 0.52466724140523 15.999 > 45 49 O 0.34599385878585 0.29256877195656 0.09616179827633 15.999 > 49 50 O 0.84599385878585 0.29256877195656 0.09616179827633 15.999 > 49 51 O 0.34599385878585 0.29256877195656 0.59616179827633 15.999 > 49 52 O 0.84599385878585 0.29256877195656 0.59616179827633 15.999 > 49 53 O 0.40400614121415 0.20743122804344 0.34616179827633 15.999 > 53 54 O 0.90400614121415 0.20743122804344 0.34616179827633 15.999 > 53 55 O 0.40400614121415 0.20743122804344 0.84616179827633 15.999 > 53 56 O 0.90400614121415 0.20743122804344 0.84616179827633 15.999 > 53 57 O 0.09599385878585 0.20743122804344 0.40383820172367 15.999 > 57 58 O 0.59599385878585 0.20743122804344 0.40383820172367 15.999 > 57 59 O 0.09599385878585 0.20743122804344 0.90383820172367 15.999 > 57 60 O 0.59599385878585 0.20743122804344 0.90383820172367 15.999 > 57 61 O 0.15400614121415 0.29256877195656 0.15383820172367 15.999 > 61 62 O 0.65400614121415 0.29256877195656 0.15383820172367 15.999 > 61 63 O 0.15400614121415 0.29256877195656 0.65383820172367 15.999 > 61 64 O 0.65400614121415 0.29256877195656 0.65383820172367 15.999 > 61 65 O 0.15400614121415 0.70743122804344 0.40383820172367 15.999 > 65 66 O 0.65400614121415 0.70743122804344 0.40383820172367 15.999 > 65 67 O 0.15400614121415 0.70743122804344 0.90383820172367 15.999 > 65 68 O 0.65400614121415 0.70743122804344 0.90383820172367 15.999 > 65 69 O 0.09599385878585 0.79256877195656 0.15383820172367 15.999 > 69 70 O 0.59599385878585 0.79256877195656 0.15383820172367 15.999 > 69 71 O 0.09599385878585 0.79256877195656 0.65383820172367 15.999 > 69 72 O 0.59599385878585 0.79256877195656 0.65383820172367 15.999 > 69 73 O 0.40400614121415 0.79256877195656 0.09616179827633 15.999 > 73 74 O 0.90400614121415 0.79256877195656 0.09616179827633 15.999 > 73 75 O 0.40400614121415 0.79256877195656 0.59616179827633 15.999 > 73 76 O 0.90400614121415 0.79256877195656 0.59616179827633 15.999 > 73 77 O 0.34599385878585 0.70743122804344 0.34616179827633 15.999 > 77 78 O 0.84599385878585 0.70743122804344 0.34616179827633 15.999 > 77 79 O 0.34599385878585 0.70743122804344 0.84616179827633 15.999 > 77 80 O 0.84599385878585 0.70743122804344 0.84616179827633 15.999 > 77 81 Mg 0.25000000000000 0.44132482125576 0.12500000000000 24.305 > 81 82 Mg 0.75000000000000 0.44132482125576 0.12500000000000 24.305 > 81 83 Mg 0.25000000000000 0.44132482125576 0.62500000000000 24.305 > 81 84 Mg 0.75000000000000 0.44132482125576 0.62500000000000 24.305 > 81 85 Mg 0.00000000000000 0.05867517874424 0.37500000000000 24.305 > 85 86 Mg 0.50000000000000 0.05867517874424 0.37500000000000 24.305 > 85 87 Mg 0.00000000000000 0.05867517874424 0.87500000000000 24.305 > 85 88 Mg 0.50000000000000 0.05867517874424 0.87500000000000 24.305 > 85 89 Mg 0.25000000000000 0.55867517874424 0.37500000000000 24.305 > 89 90 Mg 0.75000000000000 0.55867517874424 0.37500000000000 24.305 > 89 91 Mg 0.25000000000000 0.55867517874424 0.87500000000000 24.305 > 89 92 Mg 0.75000000000000 0.55867517874424 0.87500000000000 24.305 > 89 93 Mg 0.00000000000000 0.94132482125576 0.12500000000000 24.305 > 93 94 Mg 0.50000000000000 0.94132482125576 0.12500000000000 24.305 > 93 95 Mg 0.00000000000000 0.94132482125576 0.62500000000000 24.305 > 93 96 Mg 0.50000000000000 0.94132482125576 0.62500000000000 24.305 > 93 97 Te 0.18303698654241 0.15313685780523 0.24696446169462 127.600 > 97 98 Te 0.68303698654241 0.15313685780523 0.24696446169462 127.600 > 97 99 Te 0.18303698654241 0.15313685780523 0.74696446169462 127.600 > 97 100 Te 0.68303698654241 0.15313685780523 0.74696446169462 127.600 > 97 101 Te 0.06696301345759 0.34686314219477 0.49696446169462 127.600 > 101 102 Te 0.56696301345759 0.34686314219477 0.49696446169462 127.600 > 101 103 Te 0.06696301345759 0.34686314219477 0.99696446169462 127.600 > 101 104 Te 0.56696301345759 0.34686314219477 0.99696446169462 127.600 > 101 105 Te 0.43303698654241 0.34686314219477 0.25303553830538 127.600 > 105 106 Te 0.93303698654241 0.34686314219477 0.25303553830538 127.600 > 105 107 Te 0.43303698654241 0.34686314219477 0.75303553830538 127.600 > 105 108 Te 0.93303698654241 0.34686314219477 0.75303553830538 127.600 > 105 109 Te 0.31696301345759 0.15313685780523 0.00303553830538 127.600 > 109 110 Te 0.81696301345759 0.15313685780523 0.00303553830538 127.600 > 109 111 Te 0.31696301345759 0.15313685780523 0.50303553830538 127.600 > 109 112 Te 0.81696301345759 0.15313685780523 0.50303553830538 127.600 > 109 113 Te 0.18303698654241 0.84686314219477 0.49696446169462 127.600 > 113 114 Te 0.68303698654241 0.84686314219477 0.49696446169462 127.600 > 113 115 Te 0.18303698654241 0.84686314219477 0.99696446169462 127.600 > 113 116 Te 0.68303698654241 0.84686314219477 0.99696446169462 127.600 > 113 117 Te 0.06696301345759 0.65313685780523 0.24696446169462 127.600 > 117 118 Te 0.56696301345759 0.65313685780523 0.24696446169462 127.600 > 117 119 Te 0.06696301345759 0.65313685780523 0.74696446169462 127.600 > 117 120 Te 0.56696301345759 0.65313685780523 0.74696446169462 127.600 > 117 121 Te 0.43303698654241 0.65313685780523 0.00303553830538 127.600 > 121 122 Te 0.93303698654241 0.65313685780523 0.00303553830538 127.600 > 121 123 Te 0.43303698654241 0.65313685780523 0.50303553830538 127.600 > 121 124 Te 0.93303698654241 0.65313685780523 0.50303553830538 127.600 > 121 125 Te 0.31696301345759 0.84686314219477 0.25303553830538 127.600 > 125 126 Te 0.81696301345759 0.84686314219477 0.25303553830538 127.600 > 125 127 Te 0.31696301345759 0.84686314219477 0.75303553830538 127.600 > 125 128 Te 0.81696301345759 0.84686314219477 0.75303553830538 127.600 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4207628 0.0000000 0.0000000 0.0000000 4.6143003 0.0000000 0.0000000 0.0000000 5.3846483 -------------------------- Born effective charges -------------------------- 1 O -2.0454750 0.0000000 -2.0144932 0.0000000 -2.5770332 0.0000000 -0.9854178 0.0000000 -3.6701821 2 O -2.0454750 0.0000000 2.0144932 0.0000000 -2.5770332 0.0000000 0.9854178 0.0000000 -3.6701821 3 O -2.0454750 0.0000000 -2.0144932 0.0000000 -2.5770332 0.0000000 -0.9854178 0.0000000 -3.6701821 4 O -2.0454750 0.0000000 2.0144932 0.0000000 -2.5770332 0.0000000 0.9854178 0.0000000 -3.6701821 5 O -2.1721941 -0.4976759 -0.0515441 -0.8610047 -1.7550003 -0.3923403 0.3590349 -0.1475221 -1.3752384 6 O -2.1721941 -0.4976759 0.0515441 -0.8610047 -1.7550003 0.3923403 -0.3590349 0.1475221 -1.3752384 7 O -2.1721941 0.4976759 0.0515441 0.8610047 -1.7550003 -0.3923403 -0.3590349 -0.1475221 -1.3752384 8 O -2.1721941 0.4976759 -0.0515441 0.8610047 -1.7550003 0.3923403 0.3590349 0.1475221 -1.3752384 9 O -2.1721941 -0.4976759 -0.0515441 -0.8610047 -1.7550003 -0.3923403 0.3590349 -0.1475221 -1.3752384 10 O -2.1721941 -0.4976759 0.0515441 -0.8610047 -1.7550003 0.3923403 -0.3590349 0.1475221 -1.3752384 11 O -2.1721941 0.4976759 0.0515441 0.8610047 -1.7550003 -0.3923403 -0.3590349 -0.1475221 -1.3752384 12 O -2.1721941 0.4976759 -0.0515441 0.8610047 -1.7550003 0.3923403 0.3590349 0.1475221 -1.3752384 13 O -1.7977722 -0.5614578 -0.7029720 -0.7473446 -2.1526312 -1.3989956 -0.9771427 -1.2607056 -2.7142252 14 O -1.7977722 -0.5614578 0.7029720 -0.7473446 -2.1526312 1.3989956 0.9771427 1.2607056 -2.7142252 15 O -1.7977722 0.5614578 0.7029720 0.7473446 -2.1526312 -1.3989956 0.9771427 -1.2607056 -2.7142252 16 O -1.7977722 0.5614578 -0.7029720 0.7473446 -2.1526312 1.3989956 -0.9771427 1.2607056 -2.7142252 17 O -1.7977722 -0.5614578 -0.7029720 -0.7473446 -2.1526312 -1.3989956 -0.9771427 -1.2607056 -2.7142252 18 O -1.7977722 -0.5614578 0.7029720 -0.7473446 -2.1526312 1.3989956 0.9771427 1.2607056 -2.7142252 19 O -1.7977722 0.5614578 0.7029720 0.7473446 -2.1526312 -1.3989956 0.9771427 -1.2607056 -2.7142252 20 O -1.7977722 0.5614578 -0.7029720 0.7473446 -2.1526312 1.3989956 -0.9771427 1.2607056 -2.7142252 21 Mg 2.4750129 0.0000000 0.0356011 0.0000000 2.5880004 0.0000000 0.1151814 0.0000000 1.9781553 22 Mg 2.4750129 0.0000000 -0.0356011 0.0000000 2.5880004 0.0000000 -0.1151814 0.0000000 1.9781553 23 Mg 2.4750129 0.0000000 0.0356011 0.0000000 2.5880004 0.0000000 0.1151814 0.0000000 1.9781553 24 Mg 2.4750129 0.0000000 -0.0356011 0.0000000 2.5880004 0.0000000 -0.1151814 0.0000000 1.9781553 25 Te 3.7551974 -1.1102382 -1.4242473 -0.8435837 3.9021479 0.6460120 -1.3982371 0.0500023 4.9354769 26 Te 3.7551974 -1.1102382 1.4242473 -0.8435837 3.9021479 -0.6460120 1.3982371 -0.0500023 4.9354769 27 Te 3.7551974 1.1102382 1.4242473 0.8435837 3.9021479 0.6460120 1.3982371 0.0500023 4.9354769 28 Te 3.7551974 1.1102382 -1.4242473 0.8435837 3.9021479 -0.6460120 -1.3982371 -0.0500023 4.9354769 29 Te 3.7551974 1.1102382 -1.4242473 0.8435837 3.9021479 -0.6460120 -1.3982371 -0.0500023 4.9354769 30 Te 3.7551974 1.1102382 1.4242473 0.8435837 3.9021479 0.6460120 1.3982371 0.0500023 4.9354769 31 Te 3.7551974 -1.1102382 1.4242473 -0.8435837 3.9021479 -0.6460120 1.3982371 -0.0500023 4.9354769 32 Te 3.7551974 -1.1102382 -1.4242473 -0.8435837 3.9021479 0.6460120 -1.3982371 0.0500023 4.9354769 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:02:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:02:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.284069820000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.933853310000000 Atomic positions (fractional): 1 O 0.00000000000000 0.55515843321210 0.25000000000000 15.999 2 O 0.50000000000000 0.94484156678790 0.75000000000000 15.999 3 O 0.00000000000000 0.44484156678790 0.75000000000000 15.999 4 O 0.50000000000000 0.05515843321210 0.25000000000000 15.999 5 O 0.85160112460860 0.93661441113105 0.54933448281047 15.999 6 O 0.64839887539140 0.56338558886895 0.04933448281047 15.999 7 O 0.35160112460859 0.56338558886895 0.45066551718953 15.999 8 O 0.14839887539141 0.93661441113105 0.95066551718953 15.999 9 O 0.14839887539141 0.06338558886895 0.45066551718953 15.999 10 O 0.35160112460859 0.43661441113105 0.95066551718953 15.999 11 O 0.64839887539140 0.43661441113105 0.54933448281047 15.999 12 O 0.85160112460860 0.06338558886895 0.04933448281047 15.999 13 O 0.69198771757170 0.29256877195656 0.19232359655267 15.999 14 O 0.80801228242830 0.20743122804344 0.69232359655267 15.999 15 O 0.19198771757170 0.20743122804344 0.80767640344733 15.999 16 O 0.30801228242830 0.29256877195656 0.30767640344733 15.999 17 O 0.30801228242830 0.70743122804344 0.80767640344733 15.999 18 O 0.19198771757170 0.79256877195656 0.30767640344733 15.999 19 O 0.80801228242830 0.79256877195656 0.19232359655267 15.999 20 O 0.69198771757170 0.70743122804344 0.69232359655267 15.999 21 Mg 0.50000000000000 0.44132482125576 0.25000000000000 24.305 22 Mg 0.00000000000000 0.05867517874424 0.75000000000000 24.305 23 Mg 0.50000000000000 0.55867517874424 0.75000000000000 24.305 24 Mg 0.00000000000000 0.94132482125576 0.25000000000000 24.305 25 Te 0.36607397308483 0.15313685780523 0.49392892338923 127.600 26 Te 0.13392602691517 0.34686314219477 0.99392892338923 127.600 27 Te 0.86607397308483 0.34686314219477 0.50607107661077 127.600 28 Te 0.63392602691517 0.15313685780523 0.00607107661077 127.600 29 Te 0.36607397308483 0.84686314219477 0.99392892338923 127.600 30 Te 0.13392602691517 0.65313685780523 0.49392892338923 127.600 31 Te 0.86607397308483 0.65313685780523 0.00607107661077 127.600 32 Te 0.63392602691517 0.84686314219477 0.50607107661077 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.568139640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655188420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.867706620000000 Atomic positions (fractional): 1 O 0.00000000000000 0.55515843321210 0.12500000000000 15.999 > 1 2 O 0.50000000000000 0.55515843321210 0.12500000000000 15.999 > 1 3 O 0.00000000000000 0.55515843321210 0.62500000000000 15.999 > 1 4 O 0.50000000000000 0.55515843321210 0.62500000000000 15.999 > 1 5 O 0.25000000000000 0.94484156678790 0.37500000000000 15.999 > 5 6 O 0.75000000000000 0.94484156678790 0.37500000000000 15.999 > 5 7 O 0.25000000000000 0.94484156678790 0.87500000000000 15.999 > 5 8 O 0.75000000000000 0.94484156678790 0.87500000000000 15.999 > 5 9 O 0.00000000000000 0.44484156678790 0.37500000000000 15.999 > 9 10 O 0.50000000000000 0.44484156678790 0.37500000000000 15.999 > 9 11 O 0.00000000000000 0.44484156678790 0.87500000000000 15.999 > 9 12 O 0.50000000000000 0.44484156678790 0.87500000000000 15.999 > 9 13 O 0.25000000000000 0.05515843321210 0.12500000000000 15.999 > 13 14 O 0.75000000000000 0.05515843321210 0.12500000000000 15.999 > 13 15 O 0.25000000000000 0.05515843321210 0.62500000000000 15.999 > 13 16 O 0.75000000000000 0.05515843321210 0.62500000000000 15.999 > 13 17 O 0.42580056230430 0.93661441113105 0.27466724140523 15.999 > 17 18 O 0.92580056230430 0.93661441113105 0.27466724140523 15.999 > 17 19 O 0.42580056230430 0.93661441113105 0.77466724140523 15.999 > 17 20 O 0.92580056230430 0.93661441113105 0.77466724140523 15.999 > 17 21 O 0.32419943769570 0.56338558886895 0.02466724140523 15.999 > 21 22 O 0.82419943769570 0.56338558886895 0.02466724140523 15.999 > 21 23 O 0.32419943769570 0.56338558886895 0.52466724140523 15.999 > 21 24 O 0.82419943769570 0.56338558886895 0.52466724140523 15.999 > 21 25 O 0.17580056230430 0.56338558886895 0.22533275859477 15.999 > 25 26 O 0.67580056230430 0.56338558886895 0.22533275859477 15.999 > 25 27 O 0.17580056230430 0.56338558886895 0.72533275859477 15.999 > 25 28 O 0.67580056230430 0.56338558886895 0.72533275859477 15.999 > 25 29 O 0.07419943769570 0.93661441113105 0.47533275859477 15.999 > 29 30 O 0.57419943769570 0.93661441113105 0.47533275859477 15.999 > 29 31 O 0.07419943769570 0.93661441113105 0.97533275859477 15.999 > 29 32 O 0.57419943769570 0.93661441113105 0.97533275859477 15.999 > 29 33 O 0.07419943769570 0.06338558886895 0.22533275859477 15.999 > 33 34 O 0.57419943769570 0.06338558886895 0.22533275859477 15.999 > 33 35 O 0.07419943769570 0.06338558886895 0.72533275859477 15.999 > 33 36 O 0.57419943769570 0.06338558886895 0.72533275859477 15.999 > 33 37 O 0.17580056230430 0.43661441113105 0.47533275859477 15.999 > 37 38 O 0.67580056230430 0.43661441113105 0.47533275859477 15.999 > 37 39 O 0.17580056230430 0.43661441113105 0.97533275859477 15.999 > 37 40 O 0.67580056230430 0.43661441113105 0.97533275859477 15.999 > 37 41 O 0.32419943769570 0.43661441113105 0.27466724140523 15.999 > 41 42 O 0.82419943769570 0.43661441113105 0.27466724140523 15.999 > 41 43 O 0.32419943769570 0.43661441113105 0.77466724140523 15.999 > 41 44 O 0.82419943769570 0.43661441113105 0.77466724140523 15.999 > 41 45 O 0.42580056230430 0.06338558886895 0.02466724140523 15.999 > 45 46 O 0.92580056230430 0.06338558886895 0.02466724140523 15.999 > 45 47 O 0.42580056230430 0.06338558886895 0.52466724140523 15.999 > 45 48 O 0.92580056230430 0.06338558886895 0.52466724140523 15.999 > 45 49 O 0.34599385878585 0.29256877195656 0.09616179827633 15.999 > 49 50 O 0.84599385878585 0.29256877195656 0.09616179827633 15.999 > 49 51 O 0.34599385878585 0.29256877195656 0.59616179827633 15.999 > 49 52 O 0.84599385878585 0.29256877195656 0.59616179827633 15.999 > 49 53 O 0.40400614121415 0.20743122804344 0.34616179827633 15.999 > 53 54 O 0.90400614121415 0.20743122804344 0.34616179827633 15.999 > 53 55 O 0.40400614121415 0.20743122804344 0.84616179827633 15.999 > 53 56 O 0.90400614121415 0.20743122804344 0.84616179827633 15.999 > 53 57 O 0.09599385878585 0.20743122804344 0.40383820172367 15.999 > 57 58 O 0.59599385878585 0.20743122804344 0.40383820172367 15.999 > 57 59 O 0.09599385878585 0.20743122804344 0.90383820172367 15.999 > 57 60 O 0.59599385878585 0.20743122804344 0.90383820172367 15.999 > 57 61 O 0.15400614121415 0.29256877195656 0.15383820172367 15.999 > 61 62 O 0.65400614121415 0.29256877195656 0.15383820172367 15.999 > 61 63 O 0.15400614121415 0.29256877195656 0.65383820172367 15.999 > 61 64 O 0.65400614121415 0.29256877195656 0.65383820172367 15.999 > 61 65 O 0.15400614121415 0.70743122804344 0.40383820172367 15.999 > 65 66 O 0.65400614121415 0.70743122804344 0.40383820172367 15.999 > 65 67 O 0.15400614121415 0.70743122804344 0.90383820172367 15.999 > 65 68 O 0.65400614121415 0.70743122804344 0.90383820172367 15.999 > 65 69 O 0.09599385878585 0.79256877195656 0.15383820172367 15.999 > 69 70 O 0.59599385878585 0.79256877195656 0.15383820172367 15.999 > 69 71 O 0.09599385878585 0.79256877195656 0.65383820172367 15.999 > 69 72 O 0.59599385878585 0.79256877195656 0.65383820172367 15.999 > 69 73 O 0.40400614121415 0.79256877195656 0.09616179827633 15.999 > 73 74 O 0.90400614121415 0.79256877195656 0.09616179827633 15.999 > 73 75 O 0.40400614121415 0.79256877195656 0.59616179827633 15.999 > 73 76 O 0.90400614121415 0.79256877195656 0.59616179827633 15.999 > 73 77 O 0.34599385878585 0.70743122804344 0.34616179827633 15.999 > 77 78 O 0.84599385878585 0.70743122804344 0.34616179827633 15.999 > 77 79 O 0.34599385878585 0.70743122804344 0.84616179827633 15.999 > 77 80 O 0.84599385878585 0.70743122804344 0.84616179827633 15.999 > 77 81 Mg 0.25000000000000 0.44132482125576 0.12500000000000 24.305 > 81 82 Mg 0.75000000000000 0.44132482125576 0.12500000000000 24.305 > 81 83 Mg 0.25000000000000 0.44132482125576 0.62500000000000 24.305 > 81 84 Mg 0.75000000000000 0.44132482125576 0.62500000000000 24.305 > 81 85 Mg 0.00000000000000 0.05867517874424 0.37500000000000 24.305 > 85 86 Mg 0.50000000000000 0.05867517874424 0.37500000000000 24.305 > 85 87 Mg 0.00000000000000 0.05867517874424 0.87500000000000 24.305 > 85 88 Mg 0.50000000000000 0.05867517874424 0.87500000000000 24.305 > 85 89 Mg 0.25000000000000 0.55867517874424 0.37500000000000 24.305 > 89 90 Mg 0.75000000000000 0.55867517874424 0.37500000000000 24.305 > 89 91 Mg 0.25000000000000 0.55867517874424 0.87500000000000 24.305 > 89 92 Mg 0.75000000000000 0.55867517874424 0.87500000000000 24.305 > 89 93 Mg 0.00000000000000 0.94132482125576 0.12500000000000 24.305 > 93 94 Mg 0.50000000000000 0.94132482125576 0.12500000000000 24.305 > 93 95 Mg 0.00000000000000 0.94132482125576 0.62500000000000 24.305 > 93 96 Mg 0.50000000000000 0.94132482125576 0.62500000000000 24.305 > 93 97 Te 0.18303698654241 0.15313685780523 0.24696446169462 127.600 > 97 98 Te 0.68303698654241 0.15313685780523 0.24696446169462 127.600 > 97 99 Te 0.18303698654241 0.15313685780523 0.74696446169462 127.600 > 97 100 Te 0.68303698654241 0.15313685780523 0.74696446169462 127.600 > 97 101 Te 0.06696301345759 0.34686314219477 0.49696446169462 127.600 > 101 102 Te 0.56696301345759 0.34686314219477 0.49696446169462 127.600 > 101 103 Te 0.06696301345759 0.34686314219477 0.99696446169462 127.600 > 101 104 Te 0.56696301345759 0.34686314219477 0.99696446169462 127.600 > 101 105 Te 0.43303698654241 0.34686314219477 0.25303553830538 127.600 > 105 106 Te 0.93303698654241 0.34686314219477 0.25303553830538 127.600 > 105 107 Te 0.43303698654241 0.34686314219477 0.75303553830538 127.600 > 105 108 Te 0.93303698654241 0.34686314219477 0.75303553830538 127.600 > 105 109 Te 0.31696301345759 0.15313685780523 0.00303553830538 127.600 > 109 110 Te 0.81696301345759 0.15313685780523 0.00303553830538 127.600 > 109 111 Te 0.31696301345759 0.15313685780523 0.50303553830538 127.600 > 109 112 Te 0.81696301345759 0.15313685780523 0.50303553830538 127.600 > 109 113 Te 0.18303698654241 0.84686314219477 0.49696446169462 127.600 > 113 114 Te 0.68303698654241 0.84686314219477 0.49696446169462 127.600 > 113 115 Te 0.18303698654241 0.84686314219477 0.99696446169462 127.600 > 113 116 Te 0.68303698654241 0.84686314219477 0.99696446169462 127.600 > 113 117 Te 0.06696301345759 0.65313685780523 0.24696446169462 127.600 > 117 118 Te 0.56696301345759 0.65313685780523 0.24696446169462 127.600 > 117 119 Te 0.06696301345759 0.65313685780523 0.74696446169462 127.600 > 117 120 Te 0.56696301345759 0.65313685780523 0.74696446169462 127.600 > 117 121 Te 0.43303698654241 0.65313685780523 0.00303553830538 127.600 > 121 122 Te 0.93303698654241 0.65313685780523 0.00303553830538 127.600 > 121 123 Te 0.43303698654241 0.65313685780523 0.50303553830538 127.600 > 121 124 Te 0.93303698654241 0.65313685780523 0.50303553830538 127.600 > 121 125 Te 0.31696301345759 0.84686314219477 0.25303553830538 127.600 > 125 126 Te 0.81696301345759 0.84686314219477 0.25303553830538 127.600 > 125 127 Te 0.31696301345759 0.84686314219477 0.75303553830538 127.600 > 125 128 Te 0.81696301345759 0.84686314219477 0.75303553830538 127.600 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4207628 0.0000000 0.0000000 0.0000000 4.6143003 0.0000000 0.0000000 0.0000000 5.3846483 -------------------------- Born effective charges -------------------------- 1 O -2.0454750 0.0000000 -2.0144932 0.0000000 -2.5770332 0.0000000 -0.9854178 0.0000000 -3.6701821 2 O -2.0454750 0.0000000 2.0144932 0.0000000 -2.5770332 0.0000000 0.9854178 0.0000000 -3.6701821 3 O -2.0454750 0.0000000 -2.0144932 0.0000000 -2.5770332 0.0000000 -0.9854178 0.0000000 -3.6701821 4 O -2.0454750 0.0000000 2.0144932 0.0000000 -2.5770332 0.0000000 0.9854178 0.0000000 -3.6701821 5 O -2.1721941 -0.4976759 -0.0515441 -0.8610047 -1.7550003 -0.3923403 0.3590349 -0.1475221 -1.3752384 6 O -2.1721941 -0.4976759 0.0515441 -0.8610047 -1.7550003 0.3923403 -0.3590349 0.1475221 -1.3752384 7 O -2.1721941 0.4976759 0.0515441 0.8610047 -1.7550003 -0.3923403 -0.3590349 -0.1475221 -1.3752384 8 O -2.1721941 0.4976759 -0.0515441 0.8610047 -1.7550003 0.3923403 0.3590349 0.1475221 -1.3752384 9 O -2.1721941 -0.4976759 -0.0515441 -0.8610047 -1.7550003 -0.3923403 0.3590349 -0.1475221 -1.3752384 10 O -2.1721941 -0.4976759 0.0515441 -0.8610047 -1.7550003 0.3923403 -0.3590349 0.1475221 -1.3752384 11 O -2.1721941 0.4976759 0.0515441 0.8610047 -1.7550003 -0.3923403 -0.3590349 -0.1475221 -1.3752384 12 O -2.1721941 0.4976759 -0.0515441 0.8610047 -1.7550003 0.3923403 0.3590349 0.1475221 -1.3752384 13 O -1.7977722 -0.5614578 -0.7029720 -0.7473446 -2.1526312 -1.3989956 -0.9771427 -1.2607056 -2.7142252 14 O -1.7977722 -0.5614578 0.7029720 -0.7473446 -2.1526312 1.3989956 0.9771427 1.2607056 -2.7142252 15 O -1.7977722 0.5614578 0.7029720 0.7473446 -2.1526312 -1.3989956 0.9771427 -1.2607056 -2.7142252 16 O -1.7977722 0.5614578 -0.7029720 0.7473446 -2.1526312 1.3989956 -0.9771427 1.2607056 -2.7142252 17 O -1.7977722 -0.5614578 -0.7029720 -0.7473446 -2.1526312 -1.3989956 -0.9771427 -1.2607056 -2.7142252 18 O -1.7977722 -0.5614578 0.7029720 -0.7473446 -2.1526312 1.3989956 0.9771427 1.2607056 -2.7142252 19 O -1.7977722 0.5614578 0.7029720 0.7473446 -2.1526312 -1.3989956 0.9771427 -1.2607056 -2.7142252 20 O -1.7977722 0.5614578 -0.7029720 0.7473446 -2.1526312 1.3989956 -0.9771427 1.2607056 -2.7142252 21 Mg 2.4750129 0.0000000 0.0356011 0.0000000 2.5880004 0.0000000 0.1151814 0.0000000 1.9781553 22 Mg 2.4750129 0.0000000 -0.0356011 0.0000000 2.5880004 0.0000000 -0.1151814 0.0000000 1.9781553 23 Mg 2.4750129 0.0000000 0.0356011 0.0000000 2.5880004 0.0000000 0.1151814 0.0000000 1.9781553 24 Mg 2.4750129 0.0000000 -0.0356011 0.0000000 2.5880004 0.0000000 -0.1151814 0.0000000 1.9781553 25 Te 3.7551974 -1.1102382 -1.4242473 -0.8435837 3.9021479 0.6460120 -1.3982371 0.0500023 4.9354769 26 Te 3.7551974 -1.1102382 1.4242473 -0.8435837 3.9021479 -0.6460120 1.3982371 -0.0500023 4.9354769 27 Te 3.7551974 1.1102382 1.4242473 0.8435837 3.9021479 0.6460120 1.3982371 0.0500023 4.9354769 28 Te 3.7551974 1.1102382 -1.4242473 0.8435837 3.9021479 -0.6460120 -1.3982371 -0.0500023 4.9354769 29 Te 3.7551974 1.1102382 -1.4242473 0.8435837 3.9021479 -0.6460120 -1.3982371 -0.0500023 4.9354769 30 Te 3.7551974 1.1102382 1.4242473 0.8435837 3.9021479 0.6460120 1.3982371 0.0500023 4.9354769 31 Te 3.7551974 -1.1102382 1.4242473 -0.8435837 3.9021479 -0.6460120 1.3982371 -0.0500023 4.9354769 32 Te 3.7551974 -1.1102382 -1.4242473 -0.8435837 3.9021479 0.6460120 -1.3982371 0.0500023 4.9354769 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.045 ( 0.000 0.000 0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.084 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.631 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 13.010 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 14.468 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.241 ( 0.000 0.000 0.000) 0.000 19.014 ( 0.000 0.000 0.000) 0.000 19.159 ( 0.000 0.000 0.000) 0.000 19.180 ( 0.000 0.000 0.000) 0.000 19.230 ( 0.000 0.000 0.000) 0.000 19.910 ( 0.000 0.000 0.000) 0.000 20.345 ( 0.000 0.000 0.000) 0.000 20.509 ( 0.000 0.000 0.000) 0.000 21.988 ( 0.000 0.000 0.000) 0.000 22.282 ( 0.000 0.000 0.000) 0.000 22.541 ( 0.000 0.000 0.000) 0.000 22.739 ( 0.000 0.000 0.000) 0.000 22.784 ( 0.000 0.000 0.000) 0.000 23.222 ( 0.000 0.000 0.000) 0.000 23.229 ( 0.000 0.000 0.000) 0.000 23.967 ( 0.000 0.000 0.000) 0.000 24.290 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 27.180 0.000 0.000) 27.180 0.638 ( 30.944 0.000 0.000) 30.944 0.870 ( 42.924 0.000 0.000) 42.924 1.366 ( 19.689 0.000 0.000) 19.689 1.655 ( 19.931 0.000 0.000) 19.931 2.055 ( -0.382 0.000 0.000) 0.382 2.071 ( 3.817 0.000 0.000) 3.817 2.618 ( 7.356 0.000 0.000) 7.356 2.667 ( -3.325 0.000 0.000) 3.325 2.696 ( -1.740 0.000 0.000) 1.740 3.235 ( -6.584 0.000 0.000) 6.584 3.278 ( -7.729 0.000 0.000) 7.729 3.338 ( 6.012 0.000 0.000) 6.012 3.452 ( 3.379 0.000 0.000) 3.379 3.468 ( -11.140 0.000 0.000) 11.140 3.472 ( -15.074 0.000 0.000) 15.074 3.546 ( -3.724 0.000 0.000) 3.724 3.784 ( 5.177 0.000 0.000) 5.177 3.841 ( 1.124 0.000 0.000) 1.124 3.944 ( 1.248 0.000 0.000) 1.248 4.138 ( 2.375 0.000 0.000) 2.375 4.360 ( 2.892 0.000 0.000) 2.892 4.495 ( 1.414 0.000 0.000) 1.414 4.580 ( -4.556 0.000 0.000) 4.556 4.693 ( 8.217 0.000 0.000) 8.217 4.829 ( 1.670 0.000 0.000) 1.670 4.912 ( -1.394 0.000 0.000) 1.394 4.980 ( -5.849 0.000 0.000) 5.849 5.046 ( 10.902 0.000 0.000) 10.902 5.196 ( -0.670 0.000 0.000) 0.670 5.550 ( -1.394 0.000 0.000) 1.394 5.793 ( -10.017 0.000 0.000) 10.017 5.927 ( 5.159 0.000 0.000) 5.159 6.153 ( 7.732 0.000 0.000) 7.732 6.327 ( -11.227 0.000 0.000) 11.227 6.344 ( 0.870 0.000 0.000) 0.870 6.582 ( 0.773 0.000 0.000) 0.773 6.851 ( 4.414 0.000 0.000) 4.414 7.033 ( -1.771 0.000 0.000) 1.771 7.146 ( 6.547 0.000 0.000) 6.547 7.299 ( -2.755 0.000 0.000) 2.755 7.362 ( 10.782 0.000 0.000) 10.782 7.421 ( -3.858 0.000 0.000) 3.858 7.496 ( 3.446 0.000 0.000) 3.446 7.522 ( 4.742 0.000 0.000) 4.742 8.425 ( -8.242 0.000 0.000) 8.242 8.550 ( -3.781 0.000 0.000) 3.781 8.632 ( -5.675 0.000 0.000) 5.675 9.015 ( -0.875 0.000 0.000) 0.875 9.036 ( -0.656 0.000 0.000) 0.656 9.104 ( -6.493 0.000 0.000) 6.493 9.205 ( -4.737 0.000 0.000) 4.737 9.278 ( -6.638 0.000 0.000) 6.638 9.493 ( -0.913 0.000 0.000) 0.913 9.783 ( 11.376 0.000 0.000) 11.376 9.864 ( 13.714 0.000 0.000) 13.714 10.318 ( 0.749 0.000 0.000) 0.749 10.595 ( 0.417 0.000 0.000) 0.417 10.652 ( -3.725 0.000 0.000) 3.725 10.855 ( -3.348 0.000 0.000) 3.348 10.896 ( -1.824 0.000 0.000) 1.824 10.996 ( -0.999 0.000 0.000) 0.999 11.271 ( 0.301 0.000 0.000) 0.301 11.530 ( -5.120 0.000 0.000) 5.120 11.832 ( -1.865 0.000 0.000) 1.865 12.045 ( -3.660 0.000 0.000) 3.660 12.058 ( 4.452 0.000 0.000) 4.452 12.277 ( -13.710 0.000 0.000) 13.710 12.389 ( -3.096 0.000 0.000) 3.096 12.413 ( -12.964 0.000 0.000) 12.964 12.906 ( 15.582 0.000 0.000) 15.582 12.922 ( 9.970 0.000 0.000) 9.970 13.053 ( 9.377 0.000 0.000) 9.377 13.094 ( 7.913 0.000 0.000) 7.913 13.794 ( -1.081 0.000 0.000) 1.081 14.021 ( -8.942 0.000 0.000) 8.942 14.964 ( 9.713 0.000 0.000) 9.713 15.705 ( 2.801 0.000 0.000) 2.801 16.092 ( -1.733 0.000 0.000) 1.733 16.201 ( -4.217 0.000 0.000) 4.217 19.019 ( 0.508 0.000 0.000) 0.508 19.160 ( -1.807 0.000 0.000) 1.807 19.161 ( 0.207 0.000 0.000) 0.207 19.225 ( -0.440 0.000 0.000) 0.440 19.926 ( 1.648 0.000 0.000) 1.648 20.468 ( -4.148 0.000 0.000) 4.148 20.542 ( 5.518 0.000 0.000) 5.518 21.813 ( -14.504 0.000 0.000) 14.504 22.633 ( -8.419 0.000 0.000) 8.419 22.675 ( 10.555 0.000 0.000) 10.555 22.697 ( -7.346 0.000 0.000) 7.346 23.295 ( 5.947 0.000 0.000) 5.947 23.315 ( 6.705 0.000 0.000) 6.705 23.672 ( -9.720 0.000 0.000) 9.720 24.066 ( 6.421 0.000 0.000) 6.421 24.292 ( 0.150 0.000 0.000) 0.150 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 26.960 0.000 0.000) 26.960 1.205 ( 26.984 0.000 0.000) 26.984 1.649 ( 35.126 0.000 0.000) 35.126 1.800 ( 22.442 0.000 0.000) 22.442 2.035 ( -2.193 0.000 0.000) 2.193 2.122 ( 24.858 0.000 0.000) 24.858 2.160 ( 4.333 0.000 0.000) 4.333 2.589 ( -3.829 0.000 0.000) 3.829 2.635 ( -4.901 0.000 0.000) 4.901 2.745 ( 3.144 0.000 0.000) 3.144 3.047 ( -10.762 0.000 0.000) 10.762 3.095 ( -10.370 0.000 0.000) 10.370 3.127 ( -17.628 0.000 0.000) 17.628 3.202 ( -14.232 0.000 0.000) 14.232 3.484 ( -0.490 0.000 0.000) 0.490 3.491 ( 7.962 0.000 0.000) 7.962 3.564 ( 6.081 0.000 0.000) 6.081 3.880 ( 3.240 0.000 0.000) 3.240 3.907 ( 6.891 0.000 0.000) 6.891 3.952 ( -2.102 0.000 0.000) 2.102 4.231 ( 6.368 0.000 0.000) 6.368 4.418 ( 2.771 0.000 0.000) 2.771 4.467 ( -5.711 0.000 0.000) 5.711 4.506 ( -0.590 0.000 0.000) 0.590 4.798 ( 0.728 0.000 0.000) 0.728 4.821 ( -6.063 0.000 0.000) 6.063 4.833 ( -8.400 0.000 0.000) 8.400 4.836 ( -1.509 0.000 0.000) 1.509 5.227 ( 4.566 0.000 0.000) 4.566 5.319 ( 13.412 0.000 0.000) 13.412 5.478 ( -4.069 0.000 0.000) 4.069 5.609 ( -8.388 0.000 0.000) 8.388 6.132 ( -6.815 0.000 0.000) 6.815 6.144 ( 15.350 0.000 0.000) 15.350 6.289 ( 6.113 0.000 0.000) 6.113 6.375 ( 2.194 0.000 0.000) 2.194 6.551 ( -4.739 0.000 0.000) 4.739 6.952 ( 5.169 0.000 0.000) 5.169 7.026 ( 0.788 0.000 0.000) 0.788 7.100 ( -10.203 0.000 0.000) 10.203 7.270 ( -0.275 0.000 0.000) 0.275 7.330 ( -4.610 0.000 0.000) 4.610 7.591 ( 11.487 0.000 0.000) 11.487 7.647 ( 8.160 0.000 0.000) 8.160 7.682 ( 14.049 0.000 0.000) 14.049 8.232 ( -11.154 0.000 0.000) 11.154 8.417 ( -14.670 0.000 0.000) 14.670 8.439 ( -7.706 0.000 0.000) 7.706 8.975 ( -2.753 0.000 0.000) 2.753 9.030 ( 0.245 0.000 0.000) 0.245 9.038 ( -0.829 0.000 0.000) 0.829 9.092 ( -6.220 0.000 0.000) 6.220 9.223 ( 1.026 0.000 0.000) 1.026 9.457 ( -2.921 0.000 0.000) 2.921 10.018 ( 12.002 0.000 0.000) 12.002 10.143 ( 14.134 0.000 0.000) 14.134 10.348 ( 2.428 0.000 0.000) 2.428 10.575 ( -3.207 0.000 0.000) 3.207 10.576 ( -3.625 0.000 0.000) 3.625 10.765 ( -5.899 0.000 0.000) 5.899 10.853 ( -2.031 0.000 0.000) 2.031 10.951 ( -3.591 0.000 0.000) 3.591 11.273 ( -0.022 0.000 0.000) 0.022 11.421 ( -5.467 0.000 0.000) 5.467 11.797 ( -1.144 0.000 0.000) 1.144 11.955 ( -5.138 0.000 0.000) 5.138 12.066 ( -7.336 0.000 0.000) 7.336 12.153 ( 4.757 0.000 0.000) 4.757 12.188 ( -9.630 0.000 0.000) 9.630 12.335 ( -2.287 0.000 0.000) 2.287 13.106 ( 9.340 0.000 0.000) 9.340 13.170 ( 10.774 0.000 0.000) 10.774 13.265 ( 8.285 0.000 0.000) 8.285 13.266 ( 11.422 0.000 0.000) 11.422 13.751 ( -3.582 0.000 0.000) 3.582 13.812 ( -11.622 0.000 0.000) 11.622 15.209 ( 14.775 0.000 0.000) 14.775 15.779 ( 4.546 0.000 0.000) 4.546 16.043 ( -3.260 0.000 0.000) 3.260 16.069 ( -9.384 0.000 0.000) 9.384 19.033 ( 0.836 0.000 0.000) 0.836 19.118 ( -2.228 0.000 0.000) 2.228 19.169 ( 0.592 0.000 0.000) 0.592 19.214 ( -0.651 0.000 0.000) 0.651 19.976 ( 3.524 0.000 0.000) 3.524 20.353 ( -7.274 0.000 0.000) 7.274 20.694 ( 9.747 0.000 0.000) 9.747 21.501 ( -16.346 0.000 0.000) 16.346 22.481 ( -6.144 0.000 0.000) 6.144 22.547 ( -7.123 0.000 0.000) 7.123 22.885 ( 10.356 0.000 0.000) 10.356 23.410 ( 5.138 0.000 0.000) 5.138 23.434 ( 4.811 0.000 0.000) 4.811 23.471 ( -10.406 0.000 0.000) 10.406 24.176 ( 4.635 0.000 0.000) 4.635 24.293 ( -0.151 0.000 0.000) 0.151 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 23.273 0.000 0.000) 23.273 1.690 ( 21.949 0.000 0.000) 21.949 1.919 ( -11.454 0.000 0.000) 11.454 2.009 ( -6.570 0.000 0.000) 6.570 2.197 ( 17.395 0.000 0.000) 17.395 2.348 ( 20.448 0.000 0.000) 20.448 2.479 ( -11.375 0.000 0.000) 11.375 2.522 ( 13.007 0.000 0.000) 13.007 2.575 ( 2.717 0.000 0.000) 2.717 2.676 ( -10.473 0.000 0.000) 10.473 2.864 ( -6.943 0.000 0.000) 6.943 2.868 ( -6.129 0.000 0.000) 6.129 2.912 ( -6.230 0.000 0.000) 6.230 2.961 ( -9.531 0.000 0.000) 9.531 3.575 ( 9.665 0.000 0.000) 9.665 3.619 ( 4.228 0.000 0.000) 4.228 3.644 ( 1.580 0.000 0.000) 1.580 3.809 ( -11.851 0.000 0.000) 11.851 3.967 ( 4.834 0.000 0.000) 4.834 4.009 ( 1.877 0.000 0.000) 1.877 4.355 ( 5.113 0.000 0.000) 5.113 4.404 ( -1.100 0.000 0.000) 1.100 4.465 ( 1.727 0.000 0.000) 1.727 4.484 ( -0.982 0.000 0.000) 0.982 4.701 ( -3.012 0.000 0.000) 3.012 4.726 ( -2.121 0.000 0.000) 2.121 4.739 ( -4.817 0.000 0.000) 4.817 4.766 ( -4.770 0.000 0.000) 4.770 5.347 ( 6.486 0.000 0.000) 6.486 5.451 ( 1.430 0.000 0.000) 1.430 5.468 ( -6.219 0.000 0.000) 6.219 5.476 ( 1.577 0.000 0.000) 1.577 6.132 ( 7.491 0.000 0.000) 7.491 6.334 ( -7.919 0.000 0.000) 7.919 6.385 ( 3.321 0.000 0.000) 3.321 6.410 ( 0.691 0.000 0.000) 0.691 6.525 ( 13.799 0.000 0.000) 13.799 6.839 ( -15.493 0.000 0.000) 15.493 7.030 ( 2.406 0.000 0.000) 2.406 7.045 ( 0.602 0.000 0.000) 0.602 7.261 ( -0.423 0.000 0.000) 0.423 7.268 ( -1.520 0.000 0.000) 1.520 7.784 ( 9.687 0.000 0.000) 9.687 7.862 ( 12.589 0.000 0.000) 12.589 7.977 ( 14.951 0.000 0.000) 14.951 8.000 ( -12.021 0.000 0.000) 12.021 8.124 ( -14.316 0.000 0.000) 14.316 8.245 ( -12.005 0.000 0.000) 12.005 8.942 ( 0.056 0.000 0.000) 0.056 8.985 ( -4.159 0.000 0.000) 4.159 9.038 ( 0.282 0.000 0.000) 0.282 9.039 ( 0.299 0.000 0.000) 0.299 9.286 ( 4.606 0.000 0.000) 4.606 9.381 ( -4.645 0.000 0.000) 4.645 10.243 ( 10.739 0.000 0.000) 10.739 10.394 ( -0.621 0.000 0.000) 0.621 10.405 ( 12.346 0.000 0.000) 12.346 10.478 ( -3.715 0.000 0.000) 3.715 10.511 ( -3.217 0.000 0.000) 3.217 10.618 ( -9.195 0.000 0.000) 9.195 10.833 ( 0.305 0.000 0.000) 0.305 10.873 ( -3.604 0.000 0.000) 3.604 11.281 ( 1.238 0.000 0.000) 1.238 11.329 ( -3.661 0.000 0.000) 3.661 11.801 ( 1.652 0.000 0.000) 1.652 11.860 ( -4.167 0.000 0.000) 4.167 11.993 ( -0.299 0.000 0.000) 0.299 12.043 ( -5.099 0.000 0.000) 5.099 12.235 ( 3.545 0.000 0.000) 3.545 12.292 ( -2.364 0.000 0.000) 2.364 13.277 ( 6.758 0.000 0.000) 6.758 13.311 ( 3.202 0.000 0.000) 3.202 13.406 ( 6.985 0.000 0.000) 6.985 13.479 ( 9.993 0.000 0.000) 9.993 13.586 ( -10.993 0.000 0.000) 10.993 13.647 ( -6.988 0.000 0.000) 6.988 15.523 ( 16.621 0.000 0.000) 16.621 15.834 ( -14.400 0.000 0.000) 14.400 15.874 ( 4.959 0.000 0.000) 4.959 15.967 ( -4.405 0.000 0.000) 4.405 19.052 ( 1.141 0.000 0.000) 1.141 19.079 ( -1.691 0.000 0.000) 1.691 19.183 ( 0.863 0.000 0.000) 0.863 19.200 ( -0.804 0.000 0.000) 0.804 20.067 ( 5.814 0.000 0.000) 5.814 20.201 ( -7.695 0.000 0.000) 7.695 20.917 ( 12.779 0.000 0.000) 12.779 21.191 ( -15.059 0.000 0.000) 15.059 22.409 ( -1.036 0.000 0.000) 1.036 22.437 ( -3.749 0.000 0.000) 3.749 23.080 ( 9.643 0.000 0.000) 9.643 23.271 ( -9.929 0.000 0.000) 9.929 23.484 ( 2.245 0.000 0.000) 2.245 23.494 ( 1.245 0.000 0.000) 1.245 24.247 ( 2.637 0.000 0.000) 2.637 24.282 ( -1.091 0.000 0.000) 1.091 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 22.823 0.000) 22.823 0.545 ( 0.000 28.395 0.000) 28.395 0.911 ( 0.000 47.300 0.000) 47.300 1.097 ( 0.000 -4.538 0.000) 4.538 1.482 ( 0.000 2.745 0.000) 2.745 1.812 ( 0.000 5.249 0.000) 5.249 2.057 ( 0.000 -0.005 0.000) 0.005 2.392 ( 0.000 -12.076 0.000) 12.076 2.716 ( 0.000 0.577 0.000) 0.577 2.807 ( 0.000 10.518 0.000) 10.518 2.835 ( 0.000 -16.163 0.000) 16.163 2.977 ( 0.000 -23.103 0.000) 23.103 3.215 ( 0.000 -12.542 0.000) 12.542 3.413 ( 0.000 -1.837 0.000) 1.837 3.558 ( 0.000 11.082 0.000) 11.082 3.580 ( 0.000 2.403 0.000) 2.403 3.732 ( 0.000 5.489 0.000) 5.489 3.736 ( 0.000 1.187 0.000) 1.187 3.820 ( 0.000 0.169 0.000) 0.169 3.950 ( 0.000 1.729 0.000) 1.729 4.159 ( 0.000 -12.593 0.000) 12.593 4.211 ( 0.000 3.756 0.000) 3.756 4.500 ( 0.000 -4.894 0.000) 4.894 4.552 ( 0.000 7.352 0.000) 7.352 4.629 ( 0.000 0.211 0.000) 0.211 4.857 ( 0.000 10.055 0.000) 10.055 4.932 ( 0.000 6.676 0.000) 6.676 5.005 ( 0.000 1.011 0.000) 1.011 5.076 ( 0.000 1.156 0.000) 1.156 5.178 ( 0.000 -6.730 0.000) 6.730 5.247 ( 0.000 5.106 0.000) 5.106 5.856 ( 0.000 -3.614 0.000) 3.614 5.953 ( 0.000 -0.785 0.000) 0.785 5.984 ( 0.000 -0.358 0.000) 0.358 6.261 ( 0.000 -5.781 0.000) 5.781 6.535 ( 0.000 3.591 0.000) 3.591 6.577 ( 0.000 0.940 0.000) 0.940 6.780 ( 0.000 -19.654 0.000) 19.654 6.890 ( 0.000 8.192 0.000) 8.192 7.096 ( 0.000 3.085 0.000) 3.085 7.264 ( 0.000 -0.954 0.000) 0.954 7.408 ( 0.000 8.617 0.000) 8.617 7.423 ( 0.000 -3.901 0.000) 3.901 7.454 ( 0.000 8.324 0.000) 8.324 7.785 ( 0.000 19.159 0.000) 19.159 8.271 ( 0.000 -17.148 0.000) 17.148 8.433 ( 0.000 -18.929 0.000) 18.929 8.734 ( 0.000 -10.494 0.000) 10.494 8.775 ( 0.000 8.316 0.000) 8.316 9.013 ( 0.000 -2.792 0.000) 2.792 9.283 ( 0.000 2.433 0.000) 2.433 9.310 ( 0.000 5.780 0.000) 5.780 9.476 ( 0.000 -2.238 0.000) 2.238 9.509 ( 0.000 -6.996 0.000) 6.996 9.755 ( 0.000 11.031 0.000) 11.031 9.880 ( 0.000 12.145 0.000) 12.145 10.284 ( 0.000 -3.211 0.000) 3.211 10.315 ( 0.000 6.732 0.000) 6.732 10.514 ( 0.000 -7.168 0.000) 7.168 10.809 ( 0.000 -6.400 0.000) 6.400 10.954 ( 0.000 2.066 0.000) 2.066 11.003 ( 0.000 0.096 0.000) 0.096 11.315 ( 0.000 4.549 0.000) 4.549 11.617 ( 0.000 -5.097 0.000) 5.097 11.867 ( 0.000 1.560 0.000) 1.560 12.043 ( 0.000 -0.985 0.000) 0.985 12.091 ( 0.000 4.736 0.000) 4.736 12.443 ( 0.000 1.454 0.000) 1.454 12.501 ( 0.000 -5.689 0.000) 5.689 12.603 ( 0.000 -2.696 0.000) 2.696 12.619 ( 0.000 1.450 0.000) 1.450 12.719 ( 0.000 -0.726 0.000) 0.726 12.964 ( 0.000 1.617 0.000) 1.617 12.973 ( 0.000 2.018 0.000) 2.018 14.143 ( 0.000 2.427 0.000) 2.427 14.348 ( 0.000 -2.541 0.000) 2.541 14.503 ( 0.000 3.646 0.000) 3.646 14.821 ( 0.000 -3.994 0.000) 3.994 16.116 ( 0.000 0.676 0.000) 0.676 16.222 ( 0.000 -1.913 0.000) 1.913 19.019 ( 0.000 0.643 0.000) 0.643 19.137 ( 0.000 -2.198 0.000) 2.198 19.186 ( 0.000 0.606 0.000) 0.606 19.226 ( 0.000 -0.386 0.000) 0.386 20.367 ( 0.000 2.198 0.000) 2.198 20.499 ( 0.000 -1.093 0.000) 1.093 22.020 ( 0.000 3.269 0.000) 3.269 22.257 ( 0.000 -2.530 0.000) 2.530 22.548 ( 0.000 0.665 0.000) 0.665 22.604 ( 0.000 -0.705 0.000) 0.705 22.748 ( 0.000 1.014 0.000) 1.014 22.850 ( 0.000 -1.528 0.000) 1.528 23.222 ( 0.000 0.025 0.000) 0.025 23.228 ( 0.000 -0.095 0.000) 0.095 24.000 ( 0.000 3.419 0.000) 3.419 24.261 ( 0.000 -3.001 0.000) 3.001 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 18.050 20.244 0.000) 27.122 0.779 ( 23.275 12.213 0.000) 26.285 1.255 ( 28.327 32.017 0.000) 42.750 1.310 ( 18.701 -5.205 0.000) 19.412 1.692 ( 19.173 1.746 0.000) 19.253 2.008 ( 9.719 -2.160 0.000) 9.957 2.072 ( 1.551 2.215 0.000) 2.704 2.459 ( 5.432 -13.151 0.000) 14.229 2.687 ( -2.486 -0.854 0.000) 2.629 2.718 ( -5.369 3.647 0.000) 6.490 2.992 ( -0.238 -20.311 0.000) 20.312 3.039 ( 3.618 -18.486 0.000) 18.837 3.235 ( 0.537 -7.593 0.000) 7.612 3.398 ( -0.726 -1.237 0.000) 1.435 3.534 ( -6.240 4.037 0.000) 7.432 3.613 ( 0.912 7.251 0.000) 7.308 3.614 ( -6.247 7.204 0.000) 9.535 3.739 ( 0.846 -3.032 0.000) 3.148 3.844 ( 1.840 0.090 0.000) 1.842 3.944 ( 1.378 0.055 0.000) 1.379 4.255 ( 1.843 9.517 0.000) 9.693 4.273 ( 7.182 -8.245 0.000) 10.934 4.506 ( 2.194 -4.239 0.000) 4.773 4.566 ( -5.769 -0.797 0.000) 5.823 4.596 ( 2.785 -1.940 0.000) 3.394 4.888 ( -1.186 3.902 0.000) 4.078 4.962 ( -0.800 3.212 0.000) 3.310 5.039 ( -2.792 4.203 0.000) 5.046 5.069 ( 8.042 1.607 0.000) 8.201 5.262 ( 2.721 8.156 0.000) 8.598 5.290 ( 6.740 -14.666 0.000) 16.140 5.807 ( -8.004 0.352 0.000) 8.012 5.937 ( 7.725 1.556 0.000) 7.880 6.117 ( 6.493 -4.292 0.000) 7.783 6.196 ( -6.710 -7.020 0.000) 9.711 6.450 ( -4.420 3.395 0.000) 5.574 6.567 ( -0.941 -0.662 0.000) 1.151 6.850 ( 4.087 -15.253 0.000) 15.791 6.927 ( 3.260 7.128 0.000) 7.838 7.171 ( 5.898 -0.661 0.000) 5.935 7.288 ( 2.013 0.859 0.000) 2.189 7.386 ( -1.707 6.854 0.000) 7.063 7.402 ( -2.002 -1.812 0.000) 2.700 7.531 ( 7.260 8.425 0.000) 11.121 7.806 ( 2.766 18.386 0.000) 18.593 8.209 ( -5.698 -17.063 0.000) 17.989 8.548 ( 5.253 -16.222 0.000) 17.052 8.638 ( -9.040 -7.198 0.000) 11.556 8.779 ( 0.252 3.895 0.000) 3.903 9.007 ( -0.666 -2.760 0.000) 2.839 9.029 ( -12.094 -0.124 0.000) 12.095 9.196 ( -6.936 -1.172 0.000) 7.035 9.500 ( 1.028 0.904 0.000) 1.369 9.625 ( -4.956 14.954 0.000) 15.754 9.705 ( 4.008 -0.954 0.000) 4.120 9.994 ( 13.712 9.163 0.000) 16.492 10.307 ( 1.924 -1.612 0.000) 2.511 10.510 ( -0.350 -8.245 0.000) 8.252 10.551 ( 9.177 -2.740 0.000) 9.577 10.795 ( -1.382 -4.878 0.000) 5.070 10.929 ( -2.368 2.074 0.000) 3.148 10.992 ( -0.828 -0.122 0.000) 0.837 11.322 ( 0.381 4.791 0.000) 4.806 11.684 ( -0.242 5.157 0.000) 5.163 11.827 ( -8.820 -6.924 0.000) 11.213 11.850 ( -1.482 1.894 0.000) 2.404 12.025 ( -1.899 -2.347 0.000) 3.019 12.235 ( -12.716 -4.272 0.000) 13.415 12.410 ( -4.577 2.139 0.000) 5.052 12.539 ( -9.659 3.483 0.000) 10.268 12.903 ( 16.889 -0.096 0.000) 16.889 12.949 ( 11.716 1.732 0.000) 11.844 13.030 ( 9.626 -3.550 0.000) 10.260 13.053 ( 6.916 -0.150 0.000) 6.917 13.968 ( -11.254 11.534 0.000) 16.115 14.050 ( -8.236 2.814 0.000) 8.704 14.931 ( 10.226 -3.349 0.000) 10.761 15.115 ( 25.859 -28.247 0.000) 38.296 16.092 ( -2.406 0.149 0.000) 2.411 16.209 ( -2.386 -1.879 0.000) 3.037 19.024 ( 0.489 0.631 0.000) 0.799 19.140 ( 0.308 -2.112 0.000) 2.135 19.160 ( -2.190 0.639 0.000) 2.282 19.219 ( -0.660 -0.630 0.000) 0.913 20.341 ( -3.969 8.064 0.000) 8.988 20.468 ( -3.208 -0.175 0.000) 3.212 21.056 ( -37.453 43.388 0.000) 57.317 21.817 ( -16.269 0.037 0.000) 16.269 22.628 ( -8.878 -0.121 0.000) 8.879 22.686 ( -8.036 -1.065 0.000) 8.106 22.704 ( 11.254 2.800 0.000) 11.597 23.194 ( 9.206 -11.890 0.000) 15.037 23.322 ( 7.072 0.778 0.000) 7.114 23.489 ( 9.115 -10.229 0.000) 13.701 24.041 ( 5.165 1.101 0.000) 5.281 24.265 ( 0.276 -2.871 0.000) 2.884 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 23.738 10.632 0.000) 26.010 1.250 ( 23.488 4.386 0.000) 23.894 1.693 ( 18.782 -8.177 0.000) 20.485 1.856 ( 29.084 17.795 0.000) 34.096 2.035 ( 6.511 -2.652 0.000) 7.031 2.176 ( 7.367 1.730 0.000) 7.567 2.199 ( 16.960 7.480 0.000) 18.536 2.519 ( -0.998 -14.151 0.000) 14.186 2.596 ( -6.333 0.359 0.000) 6.344 2.615 ( -5.408 -2.160 0.000) 5.823 2.938 ( -4.512 -12.977 0.000) 13.739 2.996 ( -4.939 -7.481 0.000) 8.964 3.174 ( -7.027 1.274 0.000) 7.142 3.307 ( -9.543 10.102 0.000) 13.897 3.454 ( 2.080 -0.026 0.000) 2.080 3.595 ( 2.961 6.515 0.000) 7.156 3.610 ( 1.058 3.581 0.000) 3.734 3.796 ( 4.047 -8.436 0.000) 9.357 3.890 ( 2.881 0.410 0.000) 2.910 4.000 ( 2.457 1.830 0.000) 3.064 4.283 ( 1.957 4.916 0.000) 5.292 4.349 ( -1.001 -4.032 0.000) 4.155 4.443 ( -3.851 -3.083 0.000) 4.933 4.508 ( -3.800 0.728 0.000) 3.869 4.651 ( 3.384 -10.248 0.000) 10.792 4.800 ( -6.257 0.276 0.000) 6.264 4.924 ( -3.342 6.055 0.000) 6.916 4.984 ( -3.375 7.733 0.000) 8.437 5.199 ( 5.474 -1.585 0.000) 5.699 5.349 ( 0.315 -10.113 0.000) 10.118 5.408 ( 10.242 8.369 0.000) 13.226 5.648 ( -7.089 2.911 0.000) 7.664 6.050 ( -5.763 -6.262 0.000) 8.510 6.175 ( 13.238 4.245 0.000) 13.902 6.228 ( 6.710 -7.515 0.000) 10.075 6.407 ( -0.699 0.841 0.000) 1.094 6.516 ( -4.613 -2.529 0.000) 5.260 6.912 ( 1.958 -8.657 0.000) 8.875 6.995 ( 3.140 4.316 0.000) 5.337 7.162 ( -6.839 2.337 0.000) 7.228 7.342 ( 0.413 6.401 0.000) 6.414 7.357 ( -2.118 2.568 0.000) 3.329 7.429 ( 8.492 -6.166 0.000) 10.494 7.708 ( 10.172 7.702 0.000) 12.759 7.919 ( 8.850 14.716 0.000) 17.172 8.058 ( -9.483 -14.599 0.000) 17.409 8.405 ( -13.523 -2.561 0.000) 13.763 8.533 ( -6.071 2.709 0.000) 6.648 8.776 ( -0.487 -9.954 0.000) 9.966 8.949 ( 2.202 -4.908 0.000) 5.379 8.972 ( -3.971 -4.924 0.000) 6.326 9.077 ( -3.545 -2.367 0.000) 4.263 9.489 ( -5.134 17.804 0.000) 18.529 9.495 ( -1.448 3.825 0.000) 4.090 9.880 ( 10.144 -9.351 0.000) 13.796 10.257 ( 12.492 7.552 0.000) 14.597 10.328 ( -0.813 -4.955 0.000) 5.022 10.506 ( 0.204 -3.638 0.000) 3.644 10.617 ( 0.095 3.475 0.000) 3.476 10.758 ( -2.384 -1.453 0.000) 2.792 10.874 ( -2.724 2.344 0.000) 3.594 10.963 ( -2.540 1.108 0.000) 2.771 11.316 ( -0.973 4.075 0.000) 4.190 11.502 ( -9.776 6.729 0.000) 11.867 11.823 ( -1.039 2.430 0.000) 2.643 11.853 ( 0.860 -8.662 0.000) 8.704 12.009 ( 1.462 -5.674 0.000) 5.860 12.043 ( -6.222 -2.770 0.000) 6.811 12.331 ( -3.255 0.174 0.000) 3.260 12.347 ( -8.397 6.789 0.000) 10.798 13.082 ( 5.879 -2.499 0.000) 6.388 13.151 ( 6.545 -2.677 0.000) 7.072 13.245 ( 13.014 -0.712 0.000) 13.034 13.271 ( 10.703 0.804 0.000) 10.733 13.829 ( -5.065 6.822 0.000) 8.496 13.868 ( -9.497 4.882 0.000) 10.678 15.188 ( 15.420 -2.187 0.000) 15.575 15.475 ( 13.383 -21.442 0.000) 25.276 16.021 ( -4.855 -1.778 0.000) 5.170 16.101 ( -8.720 -0.654 0.000) 8.745 19.037 ( 0.771 0.580 0.000) 0.965 19.115 ( -2.186 0.360 0.000) 2.215 19.149 ( 0.661 -1.944 0.000) 2.053 19.203 ( -0.913 -1.150 0.000) 1.468 20.226 ( -4.793 16.798 0.000) 17.468 20.379 ( -5.589 2.324 0.000) 6.053 20.808 ( 2.164 13.344 0.000) 13.518 21.482 ( -16.756 -2.392 0.000) 16.926 22.464 ( -6.691 -1.388 0.000) 6.834 22.525 ( -7.533 -2.185 0.000) 7.843 22.924 ( 10.486 3.916 0.000) 11.193 23.322 ( 3.365 -7.518 0.000) 8.237 23.441 ( 4.424 0.698 0.000) 4.478 23.487 ( -3.685 0.410 0.000) 3.708 24.155 ( 5.137 -1.216 0.000) 5.279 24.269 ( 0.102 -2.425 0.000) 2.427 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 20.013 4.394 0.000) 20.490 1.658 ( 16.106 -1.833 0.000) 16.210 1.941 ( 3.355 -5.779 0.000) 6.682 2.025 ( -7.028 9.140 0.000) 11.530 2.281 ( 10.794 5.018 0.000) 11.903 2.289 ( 5.895 -1.910 0.000) 6.197 2.354 ( -2.808 -18.546 0.000) 18.757 2.465 ( -9.317 -1.680 0.000) 9.467 2.541 ( 3.567 -2.042 0.000) 4.110 2.587 ( 6.314 2.932 0.000) 6.962 2.863 ( -0.311 -3.678 0.000) 3.692 2.940 ( -1.433 0.746 0.000) 1.616 3.026 ( -4.216 10.443 0.000) 11.261 3.125 ( -8.892 14.862 0.000) 17.319 3.563 ( 8.392 0.024 0.000) 8.392 3.642 ( 0.826 -0.072 0.000) 0.829 3.666 ( 3.466 3.462 0.000) 4.899 3.797 ( -6.869 -1.843 0.000) 7.112 3.959 ( 3.611 -0.742 0.000) 3.686 3.995 ( -0.838 -1.048 0.000) 1.342 4.312 ( -0.244 -10.579 0.000) 10.582 4.316 ( 0.267 -7.967 0.000) 7.972 4.420 ( -0.757 0.276 0.000) 0.806 4.424 ( -2.371 0.667 0.000) 2.463 4.709 ( 1.906 -2.206 0.000) 2.915 4.713 ( -1.154 1.915 0.000) 2.235 4.847 ( -2.667 8.465 0.000) 8.875 4.891 ( -5.454 7.946 0.000) 9.637 5.301 ( 4.285 -3.180 0.000) 5.337 5.347 ( -0.540 -5.991 0.000) 6.015 5.538 ( 1.843 5.262 0.000) 5.575 5.555 ( -2.160 4.713 0.000) 5.184 6.057 ( 7.148 -6.156 0.000) 9.434 6.228 ( -5.516 -8.357 0.000) 10.013 6.375 ( -0.339 -3.108 0.000) 3.126 6.394 ( -1.040 -2.744 0.000) 2.935 6.562 ( 15.215 4.230 0.000) 15.792 6.847 ( -11.008 0.313 0.000) 11.013 7.037 ( 1.118 1.732 0.000) 2.061 7.051 ( -1.575 1.953 0.000) 2.509 7.331 ( -0.461 5.191 0.000) 5.212 7.334 ( -0.571 5.572 0.000) 5.601 7.625 ( 10.849 -10.635 0.000) 15.192 7.848 ( -11.535 -12.466 0.000) 16.983 7.916 ( 10.978 5.904 0.000) 12.465 8.131 ( 11.911 10.594 0.000) 15.940 8.145 ( -12.517 2.177 0.000) 12.705 8.360 ( -10.855 7.991 0.000) 13.479 8.791 ( 2.295 -10.910 0.000) 11.148 8.867 ( -5.288 -8.236 0.000) 9.788 9.012 ( 2.963 -3.683 0.000) 4.727 9.048 ( -0.883 -2.107 0.000) 2.284 9.436 ( -0.469 12.715 0.000) 12.724 9.456 ( -2.022 7.402 0.000) 7.673 10.079 ( 9.859 -12.397 0.000) 15.839 10.250 ( -6.967 -12.603 0.000) 14.401 10.462 ( 7.454 4.262 0.000) 8.586 10.519 ( 0.375 4.010 0.000) 4.028 10.620 ( 1.385 7.032 0.000) 7.167 10.692 ( -4.487 3.852 0.000) 5.914 10.847 ( 0.566 2.606 0.000) 2.667 10.896 ( -3.747 2.902 0.000) 4.739 11.305 ( 0.596 2.376 0.000) 2.449 11.358 ( -4.939 2.560 0.000) 5.563 11.809 ( -0.169 0.650 0.000) 0.672 11.827 ( -1.891 -2.133 0.000) 2.851 11.998 ( 0.968 -0.478 0.000) 1.080 12.032 ( -0.905 -3.420 0.000) 3.537 12.251 ( -0.882 3.073 0.000) 3.197 12.277 ( -2.391 -0.466 0.000) 2.435 13.186 ( 4.100 -7.491 0.000) 8.540 13.221 ( 0.832 -8.015 0.000) 8.058 13.435 ( 6.082 2.562 0.000) 6.600 13.453 ( 6.184 0.445 0.000) 6.200 13.713 ( -4.750 8.354 0.000) 9.610 13.733 ( -4.669 6.799 0.000) 8.248 15.510 ( 16.440 -1.268 0.000) 16.489 15.678 ( 5.850 -10.973 0.000) 12.436 15.888 ( -10.648 -1.759 0.000) 10.792 15.905 ( -6.602 -5.544 0.000) 8.620 19.054 ( 1.006 0.454 0.000) 1.104 19.078 ( -1.519 0.309 0.000) 1.550 19.166 ( 0.951 -1.782 0.000) 2.020 19.185 ( -0.970 -1.568 0.000) 1.844 20.197 ( 1.485 11.138 0.000) 11.237 20.267 ( -5.197 6.001 0.000) 7.938 20.943 ( 10.061 2.926 0.000) 10.477 21.180 ( -13.883 -1.363 0.000) 13.950 22.384 ( -1.291 -2.224 0.000) 2.571 22.411 ( -3.823 -2.534 0.000) 4.587 23.113 ( 8.828 3.175 0.000) 9.382 23.271 ( -6.988 -0.248 0.000) 6.993 23.477 ( 1.610 -0.569 0.000) 1.708 23.490 ( 0.695 -0.389 0.000) 0.796 24.230 ( 2.640 -1.391 0.000) 2.984 24.263 ( -0.856 -1.817 0.000) 2.009 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 12.868 0.000) 12.868 0.991 ( 0.000 -5.745 0.000) 5.745 1.052 ( 0.000 23.805 0.000) 23.805 1.421 ( 0.000 -12.344 0.000) 12.344 1.751 ( 0.000 41.570 0.000) 41.570 1.927 ( 0.000 6.579 0.000) 6.579 2.042 ( 0.000 -4.169 0.000) 4.169 2.277 ( 0.000 5.702 0.000) 5.702 2.452 ( 0.000 -32.776 0.000) 32.776 2.527 ( 0.000 -16.423 0.000) 16.423 2.758 ( 0.000 4.896 0.000) 4.896 2.935 ( 0.000 -13.965 0.000) 13.965 3.054 ( 0.000 14.396 0.000) 14.396 3.295 ( 0.000 -10.182 0.000) 10.182 3.693 ( 0.000 8.983 0.000) 8.983 3.734 ( 0.000 6.214 0.000) 6.214 3.770 ( 0.000 2.386 0.000) 2.386 3.801 ( 0.000 1.386 0.000) 1.386 3.812 ( 0.000 -1.483 0.000) 1.483 3.922 ( 0.000 -12.215 0.000) 12.215 4.003 ( 0.000 4.183 0.000) 4.183 4.124 ( 0.000 -8.616 0.000) 8.616 4.546 ( 0.000 6.039 0.000) 6.039 4.621 ( 0.000 -1.708 0.000) 1.708 4.729 ( 0.000 10.818 0.000) 10.818 4.913 ( 0.000 -6.094 0.000) 6.094 5.022 ( 0.000 2.595 0.000) 2.595 5.034 ( 0.000 2.203 0.000) 2.203 5.062 ( 0.000 -3.115 0.000) 3.115 5.076 ( 0.000 -1.551 0.000) 1.551 5.437 ( 0.000 14.073 0.000) 14.073 5.701 ( 0.000 -12.431 0.000) 12.431 6.017 ( 0.000 4.437 0.000) 4.437 6.068 ( 0.000 13.268 0.000) 13.268 6.136 ( 0.000 -7.306 0.000) 7.306 6.396 ( 0.000 -20.153 0.000) 20.153 6.576 ( 0.000 1.212 0.000) 1.212 6.588 ( 0.000 0.031 0.000) 0.031 7.063 ( 0.000 9.110 0.000) 9.110 7.192 ( 0.000 6.565 0.000) 6.565 7.203 ( 0.000 -5.393 0.000) 5.393 7.321 ( 0.000 -6.654 0.000) 6.654 7.633 ( 0.000 14.784 0.000) 14.784 7.702 ( 0.000 16.761 0.000) 16.761 7.941 ( 0.000 -17.500 0.000) 17.500 8.055 ( 0.000 -20.254 0.000) 20.254 8.146 ( 0.000 18.685 0.000) 18.685 8.475 ( 0.000 -16.157 0.000) 16.157 8.889 ( 0.000 4.339 0.000) 4.339 8.956 ( 0.000 -3.170 0.000) 3.170 9.335 ( 0.000 3.123 0.000) 3.123 9.388 ( 0.000 2.721 0.000) 2.721 9.404 ( 0.000 -4.402 0.000) 4.402 9.431 ( 0.000 -2.289 0.000) 2.289 9.988 ( 0.000 12.239 0.000) 12.239 10.115 ( 0.000 12.580 0.000) 12.580 10.181 ( 0.000 -7.946 0.000) 7.946 10.340 ( 0.000 -10.985 0.000) 10.985 10.477 ( 0.000 9.789 0.000) 9.789 10.660 ( 0.000 -9.234 0.000) 9.234 10.986 ( 0.000 1.316 0.000) 1.316 11.002 ( 0.000 -0.372 0.000) 0.372 11.412 ( 0.000 5.399 0.000) 5.399 11.514 ( 0.000 -5.554 0.000) 5.554 11.914 ( 0.000 3.381 0.000) 3.381 11.985 ( 0.000 -3.894 0.000) 3.894 12.223 ( 0.000 7.857 0.000) 7.857 12.371 ( 0.000 -7.689 0.000) 7.689 12.483 ( 0.000 2.780 0.000) 2.780 12.543 ( 0.000 -3.417 0.000) 3.417 12.654 ( 0.000 2.189 0.000) 2.189 12.694 ( 0.000 -1.881 0.000) 1.881 12.995 ( 0.000 1.249 0.000) 1.249 13.001 ( 0.000 0.666 0.000) 0.666 14.206 ( 0.000 3.981 0.000) 3.981 14.283 ( 0.000 -4.051 0.000) 4.051 14.598 ( 0.000 6.168 0.000) 6.168 14.720 ( 0.000 -6.393 0.000) 6.393 16.138 ( 0.000 1.715 0.000) 1.715 16.178 ( 0.000 -2.477 0.000) 2.477 19.042 ( 0.000 1.853 0.000) 1.853 19.087 ( 0.000 -2.783 0.000) 2.783 19.200 ( 0.000 0.870 0.000) 0.870 19.216 ( 0.000 -0.734 0.000) 0.734 20.418 ( 0.000 2.922 0.000) 2.922 20.468 ( 0.000 -2.264 0.000) 2.264 22.100 ( 0.000 4.896 0.000) 4.896 22.190 ( 0.000 -4.442 0.000) 4.442 22.565 ( 0.000 1.096 0.000) 1.096 22.586 ( 0.000 -1.121 0.000) 1.121 22.776 ( 0.000 1.837 0.000) 1.837 22.814 ( 0.000 -2.144 0.000) 2.144 23.223 ( 0.000 0.093 0.000) 0.093 23.226 ( 0.000 -0.135 0.000) 0.135 24.085 ( 0.000 5.252 0.000) 5.252 24.184 ( 0.000 -5.004 0.000) 5.004 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 16.095 10.370 0.000) 19.147 1.149 ( 12.581 6.994 0.000) 14.395 1.195 ( 14.416 9.066 0.000) 17.029 1.573 ( 12.863 -15.956 0.000) 20.495 1.907 ( 15.032 33.377 0.000) 36.606 2.044 ( 9.543 5.433 0.000) 10.981 2.123 ( 7.721 -1.809 0.000) 7.930 2.333 ( 5.774 4.555 0.000) 7.355 2.519 ( 5.595 -23.161 0.000) 23.827 2.625 ( 6.049 -14.937 0.000) 16.116 2.725 ( -3.761 0.633 0.000) 3.814 2.807 ( -7.387 -6.450 0.000) 9.806 3.182 ( 7.193 4.063 0.000) 8.261 3.311 ( 1.919 -7.010 0.000) 7.267 3.645 ( -5.761 5.930 0.000) 8.268 3.690 ( -3.722 -0.091 0.000) 3.723 3.726 ( -3.421 4.851 0.000) 5.935 3.748 ( -3.711 3.748 0.000) 5.274 3.840 ( 2.198 -0.375 0.000) 2.230 3.899 ( 2.132 -5.704 0.000) 6.090 4.165 ( 11.556 -0.507 0.000) 11.567 4.257 ( 10.791 -8.633 0.000) 13.819 4.485 ( -5.403 5.516 0.000) 7.722 4.549 ( -6.956 -1.507 0.000) 7.117 4.692 ( -4.619 8.450 0.000) 9.630 4.861 ( -5.462 -7.422 0.000) 9.215 5.019 ( 1.393 3.025 0.000) 3.330 5.066 ( 1.640 -1.456 0.000) 2.193 5.094 ( 3.962 1.439 0.000) 4.215 5.133 ( 3.591 -3.154 0.000) 4.779 5.498 ( 5.566 15.336 0.000) 16.315 5.757 ( 2.610 -9.243 0.000) 9.604 5.954 ( -1.208 2.025 0.000) 2.358 6.060 ( -6.525 -7.420 0.000) 9.880 6.155 ( 6.095 11.411 0.000) 12.937 6.412 ( 0.481 -10.621 0.000) 10.632 6.561 ( -2.601 -0.072 0.000) 2.602 6.593 ( 2.631 -6.768 0.000) 7.262 7.073 ( 0.867 7.237 0.000) 7.288 7.161 ( -0.187 -1.641 0.000) 1.651 7.311 ( 6.698 1.543 0.000) 6.873 7.356 ( 2.951 -2.858 0.000) 4.108 7.574 ( -4.257 13.061 0.000) 13.738 7.784 ( 6.388 17.441 0.000) 18.574 7.869 ( -5.067 -17.825 0.000) 18.531 8.150 ( 0.704 17.670 0.000) 17.684 8.151 ( 6.474 -21.204 0.000) 22.170 8.449 ( -2.431 -13.525 0.000) 13.741 8.882 ( -0.302 3.831 0.000) 3.842 8.946 ( -1.081 -3.410 0.000) 3.577 9.077 ( -15.874 4.505 0.000) 16.501 9.155 ( -11.154 -3.274 0.000) 11.625 9.534 ( 4.379 2.766 0.000) 5.179 9.600 ( 6.957 -4.031 0.000) 8.041 9.974 ( -7.288 15.955 0.000) 17.541 10.168 ( 10.919 8.985 0.000) 14.141 10.222 ( -0.679 -8.990 0.000) 9.015 10.331 ( 3.516 -9.268 0.000) 9.912 10.583 ( 7.249 4.635 0.000) 8.604 10.689 ( 2.221 -6.069 0.000) 6.463 10.964 ( -1.890 1.645 0.000) 2.506 10.987 ( -1.125 -0.673 0.000) 1.311 11.427 ( 0.812 6.204 0.000) 6.257 11.561 ( 3.487 -8.350 0.000) 9.049 11.900 ( -1.251 3.242 0.000) 3.475 11.942 ( -11.368 5.133 0.000) 12.474 11.980 ( -6.034 1.290 0.000) 6.170 12.123 ( -13.040 -7.513 0.000) 15.050 12.465 ( -5.250 3.600 0.000) 6.366 12.532 ( -5.607 -2.883 0.000) 6.304 12.912 ( 18.620 1.153 0.000) 18.656 12.943 ( 19.384 -1.853 0.000) 19.473 13.017 ( 1.724 1.372 0.000) 2.203 13.043 ( 3.171 -1.037 0.000) 3.336 14.108 ( -7.980 2.551 0.000) 8.378 14.111 ( -10.597 3.241 0.000) 11.082 14.837 ( 17.219 -4.387 0.000) 17.769 14.854 ( 11.923 -4.010 0.000) 12.580 16.108 ( -3.162 1.724 0.000) 3.601 16.156 ( -2.717 -3.134 0.000) 4.148 19.047 ( 0.474 1.842 0.000) 1.902 19.092 ( 0.433 -2.735 0.000) 2.769 19.179 ( -1.905 1.240 0.000) 2.273 19.202 ( -1.238 -1.132 0.000) 1.678 20.420 ( 0.036 2.646 0.000) 2.646 20.456 ( -1.240 -1.195 0.000) 1.723 21.607 ( -33.433 16.943 0.000) 37.481 21.787 ( -22.294 -4.196 0.000) 22.685 22.636 ( -10.471 0.943 0.000) 10.513 22.661 ( -9.737 -1.528 0.000) 9.856 22.784 ( 14.154 6.029 0.000) 15.384 22.946 ( 15.347 -11.573 0.000) 19.222 23.345 ( 8.093 1.615 0.000) 8.253 23.386 ( 9.624 -2.946 0.000) 10.065 24.101 ( 1.987 4.533 0.000) 4.949 24.191 ( 0.762 -4.670 0.000) 4.732 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 18.155 6.499 0.000) 19.284 1.425 ( 15.240 11.752 0.000) 19.245 1.536 ( 18.056 -2.348 0.000) 18.208 1.824 ( 11.868 -18.366 0.000) 21.867 2.208 ( 8.104 6.330 0.000) 10.283 2.263 ( 2.845 -1.591 0.000) 3.260 2.267 ( 15.797 18.523 0.000) 24.344 2.516 ( 12.293 12.531 0.000) 17.554 2.574 ( -5.174 -2.890 0.000) 5.927 2.588 ( -8.024 -0.994 0.000) 8.086 2.652 ( 1.846 -15.805 0.000) 15.913 2.788 ( 4.687 -13.654 0.000) 14.436 3.261 ( 0.113 6.295 0.000) 6.296 3.358 ( 1.188 -3.087 0.000) 3.308 3.536 ( -2.416 6.572 0.000) 7.001 3.648 ( 0.979 -6.425 0.000) 6.499 3.672 ( -2.363 2.629 0.000) 3.535 3.686 ( -0.490 2.094 0.000) 2.150 3.908 ( 3.932 2.522 0.000) 4.672 3.982 ( 4.353 -3.825 0.000) 5.795 4.332 ( -3.347 2.325 0.000) 4.075 4.344 ( -8.851 0.867 0.000) 8.894 4.380 ( -2.057 -2.332 0.000) 3.109 4.453 ( 5.903 -8.738 0.000) 10.545 4.589 ( -2.261 7.831 0.000) 8.150 4.750 ( -4.473 -6.914 0.000) 8.234 5.030 ( -1.085 4.541 0.000) 4.668 5.068 ( -1.826 1.039 0.000) 2.101 5.184 ( 4.824 -0.073 0.000) 4.825 5.208 ( 3.669 -3.679 0.000) 5.196 5.613 ( 4.800 12.078 0.000) 12.996 5.709 ( -4.846 2.573 0.000) 5.487 5.941 ( -3.813 -4.384 0.000) 5.810 6.015 ( 3.991 -12.291 0.000) 12.922 6.306 ( 7.055 7.223 0.000) 10.097 6.385 ( -2.981 -2.388 0.000) 3.820 6.514 ( 0.617 4.356 0.000) 4.400 6.703 ( 7.831 -12.976 0.000) 15.156 7.089 ( 0.541 4.882 0.000) 4.912 7.157 ( -1.132 -2.234 0.000) 2.504 7.404 ( 1.386 1.891 0.000) 2.345 7.411 ( 1.874 1.299 0.000) 2.280 7.493 ( -2.451 10.672 0.000) 10.950 7.755 ( -6.681 -16.309 0.000) 17.625 7.925 ( 7.415 14.812 0.000) 16.564 8.194 ( 4.297 14.033 0.000) 14.676 8.226 ( -0.492 -15.688 0.000) 15.696 8.420 ( 1.150 -9.620 0.000) 9.688 8.806 ( -11.720 4.945 0.000) 12.720 8.879 ( -7.296 -4.428 0.000) 8.535 8.899 ( 2.115 2.046 0.000) 2.943 8.998 ( -2.878 -5.727 0.000) 6.410 9.589 ( 1.848 6.035 0.000) 6.312 9.717 ( 5.299 -7.392 0.000) 9.095 9.822 ( -6.681 16.915 0.000) 18.187 10.124 ( -6.740 -14.664 0.000) 16.138 10.390 ( 10.119 6.269 0.000) 11.904 10.474 ( 7.615 -2.260 0.000) 7.944 10.677 ( 2.085 2.619 0.000) 3.348 10.719 ( 0.455 -2.160 0.000) 2.207 10.933 ( -0.725 3.412 0.000) 3.488 10.975 ( -0.083 -0.537 0.000) 0.543 11.409 ( -2.735 5.815 0.000) 6.426 11.531 ( -7.602 -5.635 0.000) 9.463 11.806 ( 0.673 5.856 0.000) 5.894 11.874 ( -2.012 2.667 0.000) 3.340 11.929 ( -1.569 -3.263 0.000) 3.620 11.950 ( -3.757 -7.075 0.000) 8.011 12.362 ( -4.350 3.017 0.000) 5.294 12.407 ( -6.028 -0.396 0.000) 6.040 13.046 ( 1.214 -0.260 0.000) 1.241 13.082 ( 1.092 -3.603 0.000) 3.765 13.258 ( 14.969 1.434 0.000) 15.037 13.279 ( 13.882 -0.402 0.000) 13.888 13.941 ( -6.784 3.784 0.000) 7.768 13.949 ( -7.480 2.711 0.000) 7.957 15.141 ( 16.771 -1.781 0.000) 16.866 15.184 ( 17.665 -8.156 0.000) 19.457 16.006 ( -7.363 0.824 0.000) 7.409 16.052 ( -8.257 -3.445 0.000) 8.947 19.059 ( 0.735 1.837 0.000) 1.979 19.103 ( 0.648 -2.617 0.000) 2.696 19.138 ( -2.018 1.739 0.000) 2.664 19.174 ( -1.533 -1.903 0.000) 2.444 20.405 ( -1.741 3.561 0.000) 3.964 20.419 ( -2.462 1.327 0.000) 2.797 21.138 ( -13.696 17.604 0.000) 22.304 21.386 ( -17.217 -8.640 0.000) 19.263 22.449 ( -7.726 0.266 0.000) 7.730 22.477 ( -8.074 -2.476 0.000) 8.445 23.024 ( 10.170 6.543 0.000) 12.093 23.166 ( 7.679 -8.372 0.000) 11.360 23.459 ( 3.186 1.173 0.000) 3.395 23.481 ( 0.706 -0.949 0.000) 1.183 24.159 ( 3.330 1.803 0.000) 3.786 24.212 ( 1.139 -3.354 0.000) 3.542 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 10.609 1.601 0.000) 10.729 1.685 ( 8.263 0.970 0.000) 8.320 1.864 ( 15.257 1.266 0.000) 15.310 2.030 ( 6.509 -14.305 0.000) 15.716 2.193 ( -6.312 6.967 0.000) 9.401 2.253 ( -3.180 -0.440 0.000) 3.211 2.396 ( -4.293 3.115 0.000) 5.304 2.427 ( -6.639 -1.928 0.000) 6.913 2.533 ( 5.675 2.458 0.000) 6.185 2.608 ( -1.451 -2.749 0.000) 3.109 2.838 ( 11.122 2.638 0.000) 11.430 2.912 ( 4.732 -3.357 0.000) 5.802 3.231 ( -0.242 8.892 0.000) 8.895 3.303 ( -5.323 2.412 0.000) 5.844 3.603 ( 6.051 4.686 0.000) 7.654 3.656 ( -0.329 1.323 0.000) 1.363 3.714 ( 3.811 0.728 0.000) 3.880 3.733 ( 5.670 -4.039 0.000) 6.961 3.954 ( -0.665 0.678 0.000) 0.950 3.977 ( -6.070 -1.153 0.000) 6.179 4.148 ( -5.505 -5.453 0.000) 7.749 4.153 ( -7.348 -6.237 0.000) 9.638 4.438 ( 2.116 1.940 0.000) 2.871 4.465 ( -0.953 0.935 0.000) 1.335 4.660 ( 4.754 -0.865 0.000) 4.832 4.707 ( -0.722 -3.278 0.000) 3.357 4.992 ( -1.689 5.432 0.000) 5.689 5.008 ( -3.219 3.672 0.000) 4.883 5.258 ( 2.221 -1.273 0.000) 2.559 5.263 ( 1.583 -2.345 0.000) 2.829 5.640 ( -1.561 3.938 0.000) 4.237 5.643 ( -0.935 4.521 0.000) 4.616 5.966 ( 5.488 -1.698 0.000) 5.745 6.052 ( -1.069 -9.323 0.000) 9.384 6.303 ( -2.629 -2.630 0.000) 3.718 6.317 ( -3.263 -3.838 0.000) 5.038 6.690 ( 12.387 8.670 0.000) 15.120 6.825 ( 1.444 -4.003 0.000) 4.255 7.087 ( -0.741 2.524 0.000) 2.631 7.099 ( -3.407 1.686 0.000) 3.801 7.398 ( -0.272 1.198 0.000) 1.229 7.408 ( -0.664 1.902 0.000) 2.015 7.513 ( 3.043 0.245 0.000) 3.053 7.614 ( -7.036 -10.610 0.000) 12.731 8.055 ( 5.800 7.855 0.000) 9.764 8.159 ( -4.845 -2.067 0.000) 5.267 8.322 ( 8.262 9.550 0.000) 12.628 8.453 ( -1.767 -1.338 0.000) 2.216 8.639 ( -2.549 -1.627 0.000) 3.024 8.719 ( -7.567 -7.055 0.000) 10.346 8.950 ( 2.490 -1.414 0.000) 2.863 8.980 ( -0.599 -3.869 0.000) 3.915 9.627 ( 2.333 10.121 0.000) 10.386 9.692 ( -4.467 13.096 0.000) 13.837 9.851 ( 6.459 -10.393 0.000) 12.237 9.986 ( -7.112 -14.638 0.000) 16.274 10.541 ( 4.882 3.544 0.000) 6.033 10.572 ( 1.805 0.723 0.000) 1.945 10.694 ( 0.492 1.327 0.000) 1.416 10.709 ( -0.980 -0.767 0.000) 1.245 10.943 ( 1.373 5.302 0.000) 5.477 10.968 ( -0.871 2.834 0.000) 2.964 11.360 ( -1.120 3.024 0.000) 3.225 11.393 ( -4.757 0.232 0.000) 4.763 11.808 ( -0.806 0.256 0.000) 0.846 11.817 ( -2.140 -0.011 0.000) 2.140 11.943 ( 1.819 -3.586 0.000) 4.021 11.950 ( 1.106 -3.525 0.000) 3.694 12.306 ( -1.270 2.739 0.000) 3.020 12.319 ( -2.659 2.260 0.000) 3.489 13.067 ( 0.945 -3.646 0.000) 3.766 13.083 ( -0.615 -5.162 0.000) 5.198 13.476 ( 6.416 1.167 0.000) 6.521 13.477 ( 5.947 1.289 0.000) 6.085 13.833 ( -3.665 3.660 0.000) 5.180 13.837 ( -3.664 3.214 0.000) 4.873 15.483 ( 16.912 -1.046 0.000) 16.944 15.513 ( 14.970 -5.261 0.000) 15.868 15.819 ( -11.266 -2.210 0.000) 11.481 15.833 ( -13.351 -2.922 0.000) 13.667 19.075 ( 0.908 1.770 0.000) 1.989 19.097 ( -1.279 1.150 0.000) 1.720 19.126 ( 0.827 -1.803 0.000) 1.983 19.146 ( -1.218 -2.308 0.000) 2.609 20.368 ( -1.261 5.094 0.000) 5.248 20.373 ( -1.681 3.850 0.000) 4.201 21.028 ( 0.848 5.770 0.000) 5.832 21.129 ( -9.104 -4.247 0.000) 10.046 22.349 ( -2.255 -0.893 0.000) 2.425 22.362 ( -3.432 -2.082 0.000) 4.014 23.184 ( 6.092 3.988 0.000) 7.281 23.247 ( 0.293 -2.463 0.000) 2.481 23.472 ( -0.237 0.198 0.000) 0.309 23.481 ( -0.403 -0.585 0.000) 0.710 24.211 ( 1.759 -0.233 0.000) 1.774 24.227 ( 0.145 -1.700 0.000) 1.706 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.000 25.316) 25.316 0.639 ( 0.000 0.000 28.767) 28.767 0.855 ( 0.000 0.000 37.930) 37.930 1.387 ( 0.000 0.000 20.106) 20.106 1.593 ( 0.000 0.000 13.248) 13.248 1.792 ( 0.000 0.000 3.301) 3.301 2.096 ( 0.000 0.000 3.548) 3.548 2.624 ( 0.000 0.000 5.912) 5.912 2.693 ( 0.000 0.000 -1.644) 1.644 2.756 ( 0.000 0.000 6.849) 6.849 2.856 ( 0.000 0.000 -11.978) 11.978 3.110 ( 0.000 0.000 -14.029) 14.029 3.235 ( 0.000 0.000 -3.569) 3.569 3.440 ( 0.000 0.000 0.920) 0.920 3.501 ( 0.000 0.000 4.615) 4.615 3.615 ( 0.000 0.000 1.850) 1.850 3.697 ( 0.000 0.000 3.672) 3.672 3.740 ( 0.000 0.000 1.622) 1.622 3.864 ( 0.000 0.000 2.292) 2.292 3.976 ( 0.000 0.000 4.732) 4.732 4.122 ( 0.000 0.000 -0.160) 0.160 4.286 ( 0.000 0.000 -3.222) 3.222 4.375 ( 0.000 0.000 -6.888) 6.888 4.533 ( 0.000 0.000 -4.639) 4.639 4.557 ( 0.000 0.000 -7.239) 7.239 4.603 ( 0.000 0.000 -2.064) 2.064 5.065 ( 0.000 0.000 0.397) 0.397 5.176 ( 0.000 0.000 0.047) 0.047 5.306 ( 0.000 0.000 6.259) 6.259 5.372 ( 0.000 0.000 21.315) 21.315 5.506 ( 0.000 0.000 -6.442) 6.442 5.878 ( 0.000 0.000 -0.249) 0.249 5.945 ( 0.000 0.000 -2.550) 2.550 6.022 ( 0.000 0.000 3.869) 3.869 6.372 ( 0.000 0.000 3.105) 3.105 6.420 ( 0.000 0.000 -12.207) 12.207 6.473 ( 0.000 0.000 0.134) 0.134 6.790 ( 0.000 0.000 -0.735) 0.735 7.125 ( 0.000 0.000 3.837) 3.837 7.157 ( 0.000 0.000 3.286) 3.286 7.223 ( 0.000 0.000 -1.357) 1.357 7.288 ( 0.000 0.000 -3.038) 3.038 7.479 ( 0.000 0.000 0.449) 0.449 7.567 ( 0.000 0.000 8.891) 8.891 7.859 ( 0.000 0.000 -1.795) 1.795 8.482 ( 0.000 0.000 -3.191) 3.191 8.634 ( 0.000 0.000 -14.410) 14.410 8.634 ( 0.000 0.000 -3.238) 3.238 8.768 ( 0.000 0.000 15.506) 15.506 9.016 ( 0.000 0.000 -1.567) 1.567 9.098 ( 0.000 0.000 -10.430) 10.430 9.213 ( 0.000 0.000 0.380) 0.380 9.441 ( 0.000 0.000 11.984) 11.984 9.644 ( 0.000 0.000 -3.338) 3.338 9.742 ( 0.000 0.000 8.517) 8.517 9.810 ( 0.000 0.000 10.400) 10.400 10.212 ( 0.000 0.000 -2.883) 2.883 10.387 ( 0.000 0.000 6.549) 6.549 10.602 ( 0.000 0.000 1.093) 1.093 10.662 ( 0.000 0.000 -6.021) 6.021 10.868 ( 0.000 0.000 -11.703) 11.703 10.888 ( 0.000 0.000 1.192) 1.192 10.948 ( 0.000 0.000 -0.057) 0.057 11.415 ( 0.000 0.000 13.123) 13.123 11.764 ( 0.000 0.000 -7.920) 7.920 11.981 ( 0.000 0.000 -2.408) 2.408 12.138 ( 0.000 0.000 4.861) 4.861 12.146 ( 0.000 0.000 -21.709) 21.709 12.381 ( 0.000 0.000 -19.440) 19.440 12.397 ( 0.000 0.000 -10.986) 10.986 12.660 ( 0.000 0.000 -4.933) 4.933 13.009 ( 0.000 0.000 2.794) 2.794 13.110 ( 0.000 0.000 18.444) 18.444 13.207 ( 0.000 0.000 16.062) 16.062 13.915 ( 0.000 0.000 -17.784) 17.784 14.554 ( 0.000 0.000 7.564) 7.564 14.642 ( 0.000 0.000 -3.143) 3.143 14.914 ( 0.000 0.000 5.013) 5.013 16.095 ( 0.000 0.000 -13.013) 13.013 17.094 ( 0.000 0.000 -18.218) 18.218 19.224 ( 0.000 0.000 7.541) 7.541 19.279 ( 0.000 0.000 8.188) 8.188 19.382 ( 0.000 0.000 11.918) 11.918 19.891 ( 0.000 0.000 -1.624) 1.624 20.295 ( 0.000 0.000 -4.530) 4.530 20.526 ( 0.000 0.000 1.483) 1.483 20.802 ( 0.000 0.000 -0.858) 0.858 22.095 ( 0.000 0.000 -13.841) 13.841 22.439 ( 0.000 0.000 1.393) 1.393 22.626 ( 0.000 0.000 4.234) 4.234 22.722 ( 0.000 0.000 -1.404) 1.404 22.777 ( 0.000 0.000 -0.718) 0.718 23.254 ( 0.000 0.000 2.333) 2.333 23.273 ( 0.000 0.000 4.604) 4.604 23.935 ( 0.000 0.000 -2.925) 2.925 24.247 ( 0.000 0.000 -4.042) 4.042 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 15.177 0.000 13.277) 20.165 0.755 ( 18.604 0.000 17.774) 25.730 1.274 ( 25.560 0.000 21.915) 33.668 1.518 ( 11.782 0.000 13.033) 17.569 1.811 ( 19.639 0.000 13.193) 23.659 1.944 ( 9.488 0.000 -3.720) 10.191 2.106 ( 1.271 0.000 4.786) 4.952 2.629 ( -0.718 0.000 -1.042) 1.265 2.671 ( -2.025 0.000 -2.112) 2.926 2.757 ( 3.320 0.000 9.680) 10.233 2.982 ( 3.514 0.000 -16.476) 16.846 3.088 ( -3.771 0.000 -12.872) 13.413 3.304 ( 6.386 0.000 -3.048) 7.076 3.384 ( -4.914 0.000 0.780) 4.976 3.440 ( -7.990 0.000 1.210) 8.081 3.567 ( -6.727 0.000 5.787) 8.874 3.665 ( -0.399 0.000 7.962) 7.972 3.791 ( 4.733 0.000 1.339) 4.918 3.842 ( -3.492 0.000 -6.345) 7.242 3.879 ( 0.833 0.000 1.680) 1.875 4.152 ( 0.473 0.000 0.834) 0.959 4.334 ( 2.099 0.000 -2.904) 3.583 4.363 ( 1.253 0.000 -8.180) 8.275 4.510 ( -4.414 0.000 -3.679) 5.746 4.626 ( 6.337 0.000 -5.073) 8.117 4.674 ( 5.121 0.000 -4.066) 6.539 5.039 ( -2.555 0.000 2.197) 3.370 5.143 ( -3.330 0.000 0.340) 3.347 5.259 ( -4.121 0.000 16.788) 17.286 5.275 ( -1.915 0.000 5.354) 5.686 5.577 ( 5.974 0.000 2.947) 6.661 5.809 ( -8.776 0.000 1.885) 8.976 5.923 ( 2.782 0.000 1.001) 2.957 6.141 ( 7.098 0.000 -0.129) 7.099 6.322 ( -7.301 0.000 -4.649) 8.655 6.378 ( 0.737 0.000 2.973) 3.063 6.479 ( -1.220 0.000 -5.728) 5.856 6.843 ( 4.834 0.000 -0.483) 4.858 7.085 ( -1.942 0.000 3.618) 4.106 7.150 ( -5.665 0.000 -3.468) 6.642 7.283 ( 5.075 0.000 1.738) 5.364 7.343 ( 9.723 0.000 -1.908) 9.908 7.423 ( -1.790 0.000 5.429) 5.716 7.594 ( 2.669 0.000 6.676) 7.190 7.792 ( -3.039 0.000 8.409) 8.941 8.381 ( -8.259 0.000 -3.939) 9.150 8.571 ( -6.366 0.000 -5.862) 8.654 8.614 ( -4.852 0.000 -1.167) 4.991 8.865 ( 5.419 0.000 1.987) 5.771 9.018 ( -0.059 0.000 -1.216) 1.218 9.066 ( -1.079 0.000 -5.055) 5.169 9.215 ( -2.448 0.000 -0.788) 2.572 9.413 ( -2.683 0.000 12.267) 12.557 9.553 ( -6.340 0.000 0.479) 6.358 9.813 ( 6.446 0.000 3.484) 7.328 9.915 ( 11.692 0.000 5.825) 13.063 10.389 ( 0.270 0.000 5.968) 5.974 10.518 ( -5.684 0.000 -6.066) 8.313 10.619 ( 23.820 0.000 -24.777) 34.370 10.721 ( 3.540 0.000 1.485) 3.839 10.835 ( -4.051 0.000 -1.452) 4.304 10.903 ( 1.991 0.000 -7.622) 7.878 10.931 ( -1.002 0.000 -3.799) 3.929 11.410 ( -0.850 0.000 12.283) 12.313 11.745 ( -2.422 0.000 -8.332) 8.677 11.937 ( -1.279 0.000 -3.355) 3.591 12.043 ( -6.408 0.000 -13.615) 15.048 12.086 ( -3.024 0.000 2.975) 4.242 12.502 ( -0.563 0.000 -10.821) 10.836 12.599 ( 16.926 0.000 -16.161) 23.403 12.640 ( 3.922 0.000 -3.583) 5.312 12.853 ( -12.664 0.000 5.873) 13.960 12.999 ( -1.987 0.000 7.610) 7.865 13.359 ( 7.289 0.000 12.153) 14.172 13.862 ( -5.096 0.000 -13.056) 14.016 14.137 ( -17.278 0.000 11.851) 20.952 14.996 ( 8.177 0.000 3.374) 8.845 15.103 ( 21.457 0.000 -11.425) 24.309 16.064 ( -3.247 0.000 -12.079) 12.507 16.789 ( -24.393 0.000 0.474) 24.398 19.231 ( 0.649 0.000 7.682) 7.710 19.249 ( -3.089 0.000 8.707) 9.239 19.369 ( -1.226 0.000 11.451) 11.517 19.720 ( -38.512 0.000 32.845) 50.616 19.911 ( 2.038 0.000 -1.258) 2.395 20.487 ( -3.953 0.000 1.725) 4.313 20.488 ( 4.150 0.000 -4.165) 5.879 21.967 ( -16.616 0.000 10.734) 19.781 22.586 ( 13.397 0.000 -10.893) 17.267 22.612 ( -8.448 0.000 -1.735) 8.624 22.713 ( -6.097 0.000 1.244) 6.222 23.226 ( 21.870 0.000 -24.760) 33.036 23.324 ( 5.467 0.000 2.186) 5.888 23.344 ( 6.048 0.000 3.185) 6.836 23.943 ( 2.817 0.000 -4.679) 5.462 24.249 ( 0.098 0.000 -4.079) 4.080 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 28.459 0.000 -5.514) 28.989 1.178 ( 23.092 0.000 9.984) 25.158 1.761 ( 10.657 0.000 -1.324) 10.739 1.770 ( 23.572 0.000 7.332) 24.686 2.064 ( 6.149 0.000 -5.840) 8.480 2.166 ( 5.209 0.000 9.670) 10.983 2.262 ( 20.822 0.000 10.950) 23.526 2.593 ( -2.239 0.000 -0.537) 2.302 2.610 ( -4.622 0.000 -2.271) 5.149 2.816 ( -0.064 0.000 6.239) 6.239 2.934 ( -6.033 0.000 -9.615) 11.351 2.948 ( -9.360 0.000 -8.556) 12.682 3.149 ( -16.603 0.000 1.769) 16.697 3.249 ( -9.527 0.000 3.716) 10.226 3.463 ( 8.323 0.000 -2.673) 8.742 3.539 ( -3.535 0.000 3.786) 5.180 3.578 ( 4.280 0.000 1.164) 4.436 3.880 ( 2.396 0.000 -0.133) 2.400 3.923 ( 4.986 0.000 0.534) 5.015 3.932 ( 2.044 0.000 -0.917) 2.240 4.165 ( 3.722 0.000 -7.608) 8.470 4.317 ( -1.789 0.000 -10.467) 10.619 4.418 ( 1.001 0.000 -2.964) 3.128 4.426 ( -2.894 0.000 0.679) 2.973 4.705 ( 1.956 0.000 -4.082) 4.526 4.719 ( -0.859 0.000 -1.548) 1.770 4.971 ( -4.142 0.000 5.992) 7.284 5.002 ( -9.953 0.000 0.625) 9.973 5.285 ( 3.354 0.000 3.861) 5.115 5.354 ( 11.308 0.000 9.010) 14.458 5.636 ( -8.502 0.000 2.950) 8.999 5.679 ( 3.972 0.000 10.896) 11.598 5.974 ( 0.023 0.000 -2.819) 2.819 6.251 ( 3.970 0.000 -1.806) 4.361 6.271 ( 5.981 0.000 -1.187) 6.097 6.402 ( 1.445 0.000 2.101) 2.550 6.403 ( -6.557 0.000 -7.447) 9.923 6.947 ( 5.103 0.000 -0.708) 5.151 6.991 ( -9.424 0.000 -4.894) 10.619 7.065 ( -0.257 0.000 2.569) 2.582 7.358 ( 0.847 0.000 8.434) 8.476 7.460 ( 2.798 0.000 3.828) 4.741 7.566 ( 12.493 0.000 -2.335) 12.709 7.668 ( 5.092 0.000 2.681) 5.755 7.783 ( 3.875 0.000 6.941) 7.949 8.198 ( -10.043 0.000 -2.815) 10.430 8.407 ( -9.947 0.000 -4.504) 10.919 8.416 ( -13.950 0.000 0.148) 13.950 8.956 ( 4.281 0.000 2.520) 4.968 9.027 ( 1.246 0.000 -0.153) 1.256 9.079 ( 1.249 0.000 2.049) 2.400 9.151 ( -2.751 0.000 1.844) 3.311 9.345 ( -3.779 0.000 11.840) 12.429 9.445 ( -5.117 0.000 -1.563) 5.351 9.964 ( 8.342 0.000 -3.815) 9.173 10.168 ( 13.048 0.000 2.439) 13.274 10.377 ( -3.957 0.000 -5.479) 6.759 10.436 ( 0.183 0.000 0.968) 0.985 10.728 ( -6.193 0.000 2.511) 6.683 10.781 ( -4.505 0.000 0.767) 4.569 10.788 ( 3.179 0.000 2.006) 3.759 10.936 ( 0.817 0.000 -3.228) 3.330 11.021 ( 8.244 0.000 -26.173) 27.441 11.364 ( -4.119 0.000 6.056) 7.324 11.705 ( -0.184 0.000 -5.312) 5.315 11.916 ( -3.327 0.000 -2.743) 4.312 11.955 ( -2.252 0.000 -6.962) 7.317 12.091 ( 5.083 0.000 0.903) 5.163 12.301 ( -13.211 0.000 4.003) 13.804 12.596 ( -10.968 0.000 10.258) 15.017 12.857 ( 12.796 0.000 -15.760) 20.300 12.974 ( 18.762 0.000 -18.142) 26.099 13.053 ( 5.586 0.000 -3.934) 6.832 13.442 ( 1.337 0.000 2.636) 2.956 13.729 ( -8.163 0.000 -5.421) 9.799 13.868 ( -11.988 0.000 4.954) 12.971 15.216 ( 13.614 0.000 1.053) 13.655 15.452 ( 15.135 0.000 -11.334) 18.909 15.961 ( -7.453 0.000 -9.369) 11.972 16.343 ( -19.735 0.000 5.206) 20.410 19.172 ( -3.466 0.000 10.313) 10.880 19.249 ( 1.202 0.000 8.076) 8.165 19.317 ( -8.968 0.000 16.295) 18.599 19.339 ( -1.674 0.000 10.409) 10.543 19.971 ( 4.097 0.000 -0.406) 4.117 20.375 ( -7.282 0.000 1.990) 7.550 20.661 ( 11.981 0.000 -2.662) 12.273 21.618 ( -18.217 0.000 8.808) 20.235 22.465 ( -5.563 0.000 -1.165) 5.683 22.577 ( -7.014 0.000 2.360) 7.400 22.822 ( 10.764 0.000 -6.862) 12.765 23.337 ( -4.380 0.000 -11.749) 12.539 23.429 ( 4.816 0.000 1.780) 5.135 23.457 ( 4.626 0.000 2.148) 5.100 24.056 ( 6.721 0.000 -8.470) 10.813 24.246 ( -0.551 0.000 -4.392) 4.427 ======================= Grid point 38 (16/60) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 22.998 0.000 -7.310) 24.132 1.611 ( 19.412 0.000 3.772) 19.775 1.853 ( -3.304 0.000 -4.178) 5.327 1.928 ( -8.760 0.000 -7.150) 11.307 2.300 ( 7.971 0.000 7.053) 10.643 2.329 ( 19.021 0.000 -0.826) 19.039 2.476 ( -9.049 0.000 -0.018) 9.049 2.546 ( 1.267 0.000 -0.837) 1.519 2.598 ( 6.185 0.000 4.630) 7.726 2.717 ( -8.090 0.000 3.743) 8.913 2.800 ( -2.562 0.000 -4.238) 4.952 2.846 ( 1.045 0.000 -2.717) 2.911 2.883 ( -9.570 0.000 0.528) 9.584 3.026 ( -12.426 0.000 3.565) 12.927 3.605 ( 5.312 0.000 -1.485) 5.516 3.607 ( 8.807 0.000 3.067) 9.325 3.647 ( 1.281 0.000 -0.045) 1.282 3.814 ( -10.643 0.000 0.880) 10.679 3.932 ( 3.616 0.000 -3.554) 5.070 3.987 ( -0.204 0.000 -2.442) 2.450 4.302 ( 1.336 0.000 -10.540) 10.624 4.318 ( 8.247 0.000 -4.270) 9.287 4.372 ( -4.614 0.000 -7.604) 8.894 4.402 ( -0.907 0.000 1.736) 1.959 4.692 ( 0.285 0.000 -0.168) 0.331 4.766 ( 4.909 0.000 4.655) 6.765 4.797 ( -9.685 0.000 -1.143) 9.752 4.876 ( -5.599 0.000 7.942) 9.718 5.378 ( 5.302 0.000 2.258) 5.763 5.489 ( -6.378 0.000 2.254) 6.765 5.582 ( 10.007 0.000 13.001) 16.406 5.715 ( -2.476 0.000 16.251) 16.438 5.982 ( 5.830 0.000 -10.725) 12.208 6.187 ( -11.876 0.000 -14.767) 18.950 6.370 ( 3.923 0.000 -1.247) 4.116 6.416 ( -0.602 0.000 0.216) 0.640 6.496 ( 14.648 0.000 1.483) 14.723 6.775 ( -12.862 0.000 -2.576) 13.117 7.027 ( 2.839 0.000 -0.889) 2.975 7.060 ( -0.697 0.000 0.487) 0.850 7.380 ( 1.939 0.000 9.635) 9.828 7.437 ( -3.428 0.000 9.620) 10.213 7.789 ( 8.951 0.000 0.609) 8.971 7.829 ( 11.612 0.000 -1.944) 11.773 7.955 ( 11.719 0.000 -1.168) 11.777 8.000 ( -9.144 0.000 -0.065) 9.145 8.124 ( -14.758 0.000 0.139) 14.758 8.191 ( -11.825 0.000 -3.931) 12.461 9.040 ( 4.130 0.000 6.297) 7.530 9.060 ( 1.842 0.000 1.816) 2.587 9.087 ( -0.631 0.000 3.378) 3.437 9.108 ( -2.482 0.000 5.366) 5.913 9.298 ( 0.001 0.000 5.465) 5.465 9.349 ( -4.383 0.000 -1.635) 4.678 10.125 ( 7.869 0.000 -8.668) 11.707 10.266 ( -6.451 0.000 -10.473) 12.300 10.414 ( 11.984 0.000 0.702) 12.004 10.495 ( 4.675 0.000 3.886) 6.080 10.603 ( -6.144 0.000 2.896) 6.793 10.631 ( -9.818 0.000 0.663) 9.840 10.855 ( 3.627 0.000 4.319) 5.640 10.920 ( -2.478 0.000 2.508) 3.526 11.149 ( 5.607 0.000 -14.386) 15.440 11.261 ( -5.811 0.000 -3.965) 7.035 11.743 ( 3.541 0.000 -1.697) 3.926 11.827 ( -4.796 0.000 -1.041) 4.908 11.960 ( 2.911 0.000 -2.603) 3.905 12.075 ( -8.942 0.000 1.394) 9.051 12.236 ( 8.407 0.000 1.486) 8.537 12.405 ( -8.888 0.000 5.585) 10.497 13.079 ( 8.751 0.000 -15.048) 17.408 13.150 ( 2.177 0.000 -10.768) 10.986 13.326 ( 16.684 0.000 -11.604) 20.322 13.451 ( 1.670 0.000 -1.893) 2.524 13.560 ( -8.369 0.000 -2.252) 8.666 13.622 ( -13.589 0.000 -3.597) 14.057 15.502 ( 14.749 0.000 -1.618) 14.837 15.728 ( 13.637 0.000 -7.218) 15.430 15.769 ( -12.002 0.000 -5.450) 13.182 16.006 ( -15.165 0.000 -1.210) 15.213 19.150 ( 1.101 0.000 8.825) 8.893 19.203 ( -4.027 0.000 9.669) 10.474 19.276 ( 1.496 0.000 8.643) 8.772 19.306 ( -1.613 0.000 9.394) 9.531 20.074 ( 6.406 0.000 0.625) 6.436 20.219 ( -8.105 0.000 1.586) 8.258 20.935 ( 15.694 0.000 1.385) 15.755 21.265 ( -17.617 0.000 5.541) 18.468 22.411 ( 0.050 0.000 0.260) 0.264 22.459 ( -4.587 0.000 1.805) 4.929 23.017 ( 9.406 0.000 -6.199) 11.265 23.195 ( -8.655 0.000 -7.076) 11.179 23.501 ( 2.269 0.000 1.601) 2.777 23.513 ( 1.092 0.000 1.779) 2.088 24.164 ( 4.156 0.000 -6.930) 8.080 24.223 ( -1.937 0.000 -5.308) 5.651 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 19.051 19.141) 27.007 0.828 ( 0.000 17.586 21.066) 27.442 1.103 ( 0.000 24.081 19.341) 30.887 1.339 ( 0.000 -4.234 19.695) 20.145 1.646 ( 0.000 3.964 14.129) 14.674 1.868 ( 0.000 6.958 4.906) 8.514 2.111 ( 0.000 1.199 3.542) 3.739 2.498 ( 0.000 -10.325 7.699) 12.879 2.695 ( 0.000 -12.120 -8.333) 14.708 2.697 ( 0.000 1.245 1.068) 1.640 2.863 ( 0.000 10.231 3.418) 10.787 2.901 ( 0.000 -23.965 -8.489) 25.424 3.171 ( 0.000 -4.382 -3.746) 5.764 3.457 ( 0.000 -2.490 3.304) 4.137 3.588 ( 0.000 9.220 1.099) 9.285 3.611 ( 0.000 0.245 0.891) 0.924 3.740 ( 0.000 3.156 1.469) 3.481 3.802 ( 0.000 6.185 5.073) 7.999 3.836 ( 0.000 -2.307 0.588) 2.381 3.977 ( 0.000 0.463 3.659) 3.688 4.096 ( 0.000 -7.966 -4.674) 9.236 4.256 ( 0.000 3.567 2.692) 4.469 4.442 ( 0.000 -6.602 -4.302) 7.880 4.510 ( 0.000 11.392 -5.874) 12.818 4.608 ( 0.000 0.848 -2.232) 2.388 4.692 ( 0.000 8.148 -8.499) 11.774 5.065 ( 0.000 -0.206 2.248) 2.258 5.136 ( 0.000 -4.365 -0.517) 4.396 5.190 ( 0.000 -8.814 2.951) 9.295 5.335 ( 0.000 -3.879 19.526) 19.908 5.472 ( 0.000 -0.665 6.695) 6.728 5.821 ( 0.000 -4.698 -2.650) 5.394 5.963 ( 0.000 2.271 0.001) 2.271 6.027 ( 0.000 1.312 6.340) 6.475 6.304 ( 0.000 -5.362 3.702) 6.516 6.420 ( 0.000 -0.626 -9.889) 9.909 6.538 ( 0.000 3.932 0.536) 3.969 6.866 ( 0.000 7.117 -1.551) 7.284 6.903 ( 0.000 -15.324 6.490) 16.642 7.146 ( 0.000 3.021 3.588) 4.691 7.279 ( 0.000 -10.860 0.608) 10.877 7.371 ( 0.000 8.409 -3.097) 8.961 7.393 ( 0.000 5.601 -1.104) 5.708 7.630 ( 0.000 4.858 11.592) 12.568 7.849 ( 0.000 2.960 1.244) 3.211 8.349 ( 0.000 -12.374 4.369) 13.122 8.460 ( 0.000 -15.745 1.154) 15.787 8.565 ( 0.000 -7.447 -11.731) 13.895 8.842 ( 0.000 7.036 9.207) 11.588 8.960 ( 0.000 -1.825 -5.139) 5.453 9.192 ( 0.000 4.233 -16.403) 16.940 9.321 ( 0.000 4.290 2.475) 4.953 9.432 ( 0.000 -0.223 9.371) 9.373 9.571 ( 0.000 -5.290 -1.030) 5.390 9.823 ( 0.000 9.136 5.849) 10.848 9.924 ( 0.000 10.160 6.508) 12.066 10.273 ( 0.000 5.461 -2.804) 6.138 10.362 ( 0.000 -3.131 6.534) 7.246 10.544 ( 0.000 -5.417 2.258) 5.869 10.704 ( 0.000 -1.771 -12.414) 12.540 10.829 ( 0.000 -0.476 -2.488) 2.534 10.869 ( 0.000 -0.035 -11.487) 11.487 11.206 ( 0.000 18.631 -9.045) 20.710 11.455 ( 0.000 3.626 11.877) 12.418 11.787 ( 0.000 2.632 -7.093) 7.566 11.917 ( 0.000 -5.791 -1.634) 6.017 12.060 ( 0.000 -7.452 -22.939) 24.119 12.071 ( 0.000 -4.946 1.854) 5.282 12.427 ( 0.000 3.322 -16.500) 16.831 12.440 ( 0.000 2.715 -10.203) 10.558 12.736 ( 0.000 6.629 -3.217) 7.369 12.993 ( 0.000 -1.731 3.328) 3.751 13.109 ( 0.000 -0.079 17.082) 17.082 13.168 ( 0.000 -3.214 17.983) 18.268 13.968 ( 0.000 5.562 -14.716) 15.732 14.528 ( 0.000 -10.389 2.379) 10.658 14.584 ( 0.000 3.161 7.128) 7.798 14.876 ( 0.000 -3.918 5.024) 6.371 16.090 ( 0.000 -0.343 -11.938) 11.942 16.583 ( 0.000 -32.412 8.432) 33.491 19.142 ( 0.000 -9.271 10.736) 14.185 19.195 ( 0.000 -2.914 7.581) 8.122 19.383 ( 0.000 0.246 11.726) 11.729 19.479 ( 0.000 -8.240 17.994) 19.791 20.321 ( 0.000 2.592 -4.128) 4.875 20.496 ( 0.000 -1.921 -0.099) 1.923 21.543 ( 0.000 30.405 -29.078) 42.071 22.078 ( 0.000 -1.959 -13.865) 14.003 22.501 ( 0.000 4.633 -1.941) 5.023 22.619 ( 0.000 -0.739 3.631) 3.706 22.731 ( 0.000 0.924 -1.336) 1.624 22.784 ( 0.000 0.382 -1.596) 1.641 23.258 ( 0.000 0.310 2.426) 2.446 23.271 ( 0.000 -0.230 4.327) 4.333 23.963 ( 0.000 3.069 -3.170) 4.412 24.218 ( 0.000 -2.963 -4.001) 4.979 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 8.131 16.900 12.060) 22.297 0.991 ( 14.272 18.719 11.989) 26.416 1.404 ( 21.920 13.916 12.867) 28.978 1.469 ( 11.844 -4.860 13.659) 18.720 1.860 ( 10.150 -3.638 5.902) 12.292 1.895 ( 10.827 5.409 5.586) 13.330 2.213 ( 7.577 7.909 6.822) 12.904 2.522 ( 1.147 -9.872 2.224) 10.185 2.663 ( -2.058 -2.199 1.616) 3.418 2.726 ( 0.698 -4.900 -3.001) 5.788 2.884 ( 0.719 -3.665 -3.885) 5.389 2.937 ( 2.592 -14.329 -6.633) 16.001 3.208 ( 2.120 -5.253 -1.687) 5.911 3.408 ( -3.421 0.188 0.637) 3.485 3.544 ( -6.551 6.416 -2.380) 9.474 3.634 ( -1.245 2.113 6.637) 7.075 3.666 ( -2.911 4.449 3.314) 6.265 3.776 ( -3.495 -1.797 1.802) 4.324 3.860 ( 3.891 3.997 -1.121) 5.690 3.879 ( 0.830 -1.638 -2.176) 2.847 4.228 ( -0.342 6.956 -3.450) 7.772 4.275 ( 5.895 -4.425 2.286) 7.717 4.422 ( 1.587 0.223 -5.370) 5.604 4.524 ( -6.948 0.800 -3.691) 7.908 4.595 ( 4.092 0.936 -3.498) 5.464 4.733 ( 1.988 4.042 -5.960) 7.471 5.034 ( -1.585 -0.420 3.186) 3.583 5.113 ( -3.280 -3.642 0.340) 4.913 5.175 ( 0.044 -6.897 3.421) 7.699 5.276 ( -1.271 1.146 9.570) 9.722 5.559 ( 5.023 -0.994 11.034) 12.164 5.822 ( -3.963 0.895 1.041) 4.194 5.914 ( 2.816 0.809 0.270) 2.942 6.117 ( 5.048 -1.790 1.488) 5.559 6.271 ( -3.898 -5.350 5.008) 8.301 6.382 ( -2.482 0.315 -7.934) 8.319 6.523 ( -1.434 2.657 0.111) 3.021 6.892 ( 2.720 1.033 -0.264) 2.922 6.956 ( 3.698 -7.322 4.562) 9.386 7.123 ( -2.506 -2.829 -2.846) 4.731 7.287 ( 2.524 3.324 -0.495) 4.203 7.393 ( 1.443 2.372 1.526) 3.168 7.455 ( 5.359 3.210 1.454) 6.413 7.617 ( -0.091 4.895 7.687) 9.114 7.855 ( 1.495 5.119 2.254) 5.790 8.251 ( -8.471 -11.257 1.073) 14.129 8.501 ( -3.309 -12.079 -10.084) 16.079 8.587 ( 5.007 -7.707 3.253) 9.750 8.827 ( -4.719 4.802 3.031) 7.384 8.913 ( -2.985 -0.621 -1.562) 3.426 9.034 ( -2.835 -1.500 -1.364) 3.486 9.372 ( -5.057 -3.396 11.592) 13.095 9.450 ( 2.255 6.816 -3.299) 7.901 9.583 ( -0.380 3.281 -4.768) 5.800 9.765 ( -1.967 2.843 5.856) 6.800 10.035 ( 11.211 8.540 4.006) 14.652 10.355 ( 0.876 -3.616 2.118) 4.281 10.448 ( 1.721 -3.194 -1.162) 3.809 10.575 ( 9.465 -3.632 -4.154) 10.956 10.729 ( 1.582 -2.026 -7.181) 7.627 10.816 ( -0.499 0.374 -2.832) 2.900 10.894 ( 1.897 0.049 -10.256) 10.430 11.179 ( -2.254 16.863 -13.529) 21.737 11.446 ( -1.190 3.395 10.156) 10.774 11.775 ( -3.416 2.111 -6.339) 7.504 11.842 ( -1.615 -6.685 -1.343) 7.008 11.972 ( -4.629 -5.205 -10.550) 12.642 12.089 ( -1.401 -1.812 -1.885) 2.966 12.538 ( 8.737 2.063 -14.018) 16.647 12.637 ( 12.957 1.816 -15.189) 20.047 12.686 ( -2.809 6.043 2.475) 7.109 12.867 ( -10.198 1.689 3.863) 11.035 12.980 ( -2.047 -2.080 7.140) 7.713 13.355 ( 8.456 -1.453 14.787) 17.096 13.780 ( -14.208 -4.500 -11.717) 18.958 14.230 ( -11.238 6.606 6.257) 14.459 14.957 ( 9.749 -4.212 2.680) 10.953 15.025 ( 20.149 -6.374 -2.634) 21.297 16.055 ( -3.549 -0.839 -10.783) 11.383 16.463 ( -10.786 -22.407 7.515) 25.979 19.129 ( -1.004 -7.040 10.165) 12.406 19.206 ( 0.952 -2.778 7.970) 8.494 19.367 ( -1.589 -0.132 11.245) 11.358 19.424 ( -5.153 -4.779 17.387) 18.754 20.313 ( -2.628 7.009 -2.206) 7.804 20.479 ( -1.730 -0.587 0.664) 1.944 20.873 ( -27.994 32.760 -12.002) 44.732 21.988 ( -18.278 2.038 11.055) 21.458 22.589 ( 7.436 0.499 -9.500) 12.074 22.617 ( -2.350 0.428 -4.056) 4.707 22.707 ( -6.120 -0.688 1.000) 6.240 23.074 ( 18.087 -10.669 -11.325) 23.858 23.329 ( 6.359 0.292 1.226) 6.483 23.389 ( 7.838 1.617 -0.674) 8.032 23.975 ( 2.305 3.215 -4.391) 5.910 24.221 ( 0.214 -2.862 -4.021) 4.940 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 22.092 5.822 -1.447) 22.892 1.333 ( 18.984 10.630 6.104) 22.598 1.732 ( 13.689 -4.255 3.583) 14.777 1.851 ( 15.930 8.460 -2.142) 18.164 1.922 ( 10.197 -5.742 -2.435) 11.953 2.279 ( 13.329 2.742 10.584) 17.240 2.356 ( 10.121 9.759 7.793) 16.075 2.488 ( -4.105 -9.055 -2.464) 10.242 2.631 ( -2.144 -0.892 2.267) 3.245 2.682 ( -5.268 -2.812 3.870) 7.116 2.865 ( -2.470 -6.715 -4.437) 8.419 2.948 ( -1.501 -5.287 -3.258) 6.389 3.180 ( -5.341 -2.391 1.365) 6.009 3.285 ( -9.475 8.820 -1.293) 13.009 3.471 ( 1.297 0.002 0.125) 1.303 3.588 ( 0.122 4.230 -0.896) 4.326 3.624 ( 0.690 4.273 1.847) 4.706 3.806 ( 2.647 -5.594 0.938) 6.259 3.900 ( 1.674 -1.032 -0.425) 2.012 4.009 ( 6.036 4.765 0.204) 7.693 4.166 ( -2.708 3.153 -10.528) 11.318 4.351 ( 0.853 -3.288 0.627) 3.454 4.377 ( -5.781 -2.811 -4.653) 7.935 4.474 ( 0.775 6.576 -1.240) 6.736 4.640 ( 1.273 -7.039 -1.168) 7.248 4.728 ( -1.176 0.962 -2.562) 2.979 4.994 ( -7.391 -0.003 -2.037) 7.666 5.009 ( -2.725 1.383 3.488) 4.638 5.235 ( 5.210 -3.305 1.838) 6.438 5.356 ( 8.852 0.147 7.522) 11.617 5.588 ( -2.681 -0.112 8.562) 8.973 5.748 ( -1.035 3.676 7.967) 8.835 5.978 ( -0.975 0.230 -2.733) 2.910 6.204 ( 3.658 -6.112 -1.326) 7.245 6.263 ( 7.315 -1.420 5.900) 9.504 6.341 ( -2.040 0.631 -8.816) 9.071 6.473 ( -3.464 1.597 0.710) 3.880 6.947 ( 1.971 -3.501 0.652) 4.070 7.010 ( 0.392 1.498 2.036) 2.558 7.032 ( -4.968 1.040 -5.824) 7.725 7.407 ( 4.987 -3.534 0.459) 6.130 7.419 ( 4.686 2.869 3.523) 6.527 7.513 ( -0.456 -1.873 7.978) 8.207 7.691 ( 7.962 6.720 -1.669) 10.552 7.920 ( 4.326 4.498 0.504) 6.261 8.066 ( -8.984 -7.520 0.308) 11.720 8.355 ( -10.035 -5.370 -5.149) 12.492 8.556 ( -9.967 10.608 0.702) 14.572 8.768 ( 3.315 -14.880 1.243) 15.295 8.936 ( 2.384 -1.279 3.160) 4.160 9.031 ( 0.892 -4.314 3.605) 5.692 9.262 ( -5.680 -4.179 12.645) 14.478 9.437 ( -1.877 10.303 -2.466) 10.759 9.510 ( -4.593 9.844 -1.841) 11.018 9.849 ( 7.688 -8.269 -1.587) 11.401 10.258 ( 10.174 6.365 1.027) 12.044 10.305 ( -4.857 -7.435 -5.345) 10.366 10.467 ( 2.145 2.716 1.852) 3.925 10.684 ( -0.612 -1.865 -0.492) 2.024 10.765 ( 2.743 -1.912 -0.839) 3.447 10.824 ( -0.391 2.868 0.382) 2.919 10.923 ( 0.688 -0.867 -4.859) 4.984 11.150 ( 0.102 9.986 -19.756) 22.137 11.389 ( -4.845 2.101 3.205) 6.178 11.724 ( -0.218 -0.050 -2.865) 2.874 11.837 ( -1.379 -3.488 -3.400) 5.063 11.917 ( -0.163 -4.270 -5.173) 6.710 12.077 ( 1.129 -0.305 2.582) 2.835 12.419 ( -10.890 8.482 4.952) 14.665 12.612 ( -11.185 1.694 11.687) 16.265 12.881 ( 11.856 1.928 -15.709) 19.775 12.916 ( 11.409 -3.180 -15.582) 19.572 13.082 ( 12.289 1.378 -8.510) 15.011 13.455 ( 1.957 -0.605 6.892) 7.190 13.542 ( -9.788 -10.874 -10.825) 18.200 14.017 ( -11.557 8.684 1.748) 14.561 15.194 ( 14.506 -2.345 1.295) 14.751 15.373 ( 15.147 -6.862 -4.778) 17.302 15.952 ( -6.912 -1.019 -8.313) 10.860 16.214 ( -13.811 -10.148 3.233) 17.440 19.117 ( 0.130 -2.885 8.838) 9.298 19.229 ( 1.381 -2.189 8.515) 8.900 19.301 ( -5.459 -0.662 12.046) 13.242 19.337 ( -2.408 -0.260 11.720) 11.968 20.213 ( -4.366 16.107 -1.061) 16.722 20.395 ( -6.172 2.353 1.307) 6.733 20.734 ( 6.785 8.503 -5.270) 12.088 21.612 ( -19.049 -0.794 9.330) 21.226 22.448 ( -6.126 -1.403 -1.138) 6.387 22.554 ( -7.348 -2.165 2.250) 7.984 22.858 ( 11.013 3.504 -7.147) 13.589 23.252 ( 2.022 -7.016 -7.962) 10.803 23.443 ( 4.249 0.651 0.329) 4.311 23.473 ( 1.909 1.093 0.979) 2.408 24.064 ( 5.594 1.046 -6.892) 8.938 24.222 ( -0.242 -2.391 -4.313) 4.937 ======================= Grid point 45 (20/60) ======================= q-point: ( 0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 17.693 -3.037 -6.464) 19.080 1.651 ( 8.904 -0.845 -2.329) 9.242 1.919 ( 2.159 0.755 -2.138) 3.131 1.949 ( 5.465 6.729 -3.364) 9.299 2.235 ( 6.561 -4.165 -2.732) 8.237 2.309 ( -5.502 -5.374 1.794) 7.898 2.403 ( 2.914 -4.309 3.445) 6.239 2.528 ( -6.901 1.465 2.724) 7.562 2.606 ( 4.706 2.185 5.358) 7.458 2.629 ( 1.693 -1.039 5.100) 5.473 2.841 ( 4.086 -0.950 -0.965) 4.304 2.951 ( 3.425 5.653 -1.250) 6.727 3.025 ( -8.991 3.631 1.502) 9.812 3.107 ( -9.126 14.532 -1.484) 17.224 3.557 ( 6.164 -2.024 -0.334) 6.497 3.619 ( 0.435 -0.236 -2.212) 2.266 3.673 ( 4.011 2.117 0.573) 4.571 3.789 ( -5.894 -1.821 -0.214) 6.173 3.932 ( 1.795 -0.698 -3.274) 3.798 3.979 ( -2.834 -0.729 -2.520) 3.862 4.224 ( 3.958 -2.143 -7.251) 8.534 4.309 ( -4.608 -4.273 -3.830) 7.360 4.354 ( 3.887 -3.792 0.052) 5.431 4.445 ( -3.488 1.590 1.250) 4.032 4.662 ( 3.180 0.605 -1.851) 3.729 4.750 ( -0.675 0.931 2.173) 2.459 4.855 ( -2.318 3.048 -2.818) 4.754 4.931 ( -5.367 2.091 3.998) 7.011 5.347 ( 5.861 -1.182 3.167) 6.766 5.454 ( -4.052 -1.915 8.568) 9.670 5.591 ( 7.764 1.090 6.150) 9.964 5.727 ( -4.285 0.524 13.093) 13.787 5.983 ( 5.983 0.172 -6.253) 8.656 6.165 ( -9.137 -2.192 -7.595) 12.082 6.327 ( 3.302 -4.812 -2.223) 6.245 6.391 ( -2.428 -3.533 -0.767) 4.354 6.541 ( 14.341 5.127 0.888) 15.256 6.815 ( -12.325 3.729 -1.904) 13.017 7.014 ( 2.267 -1.418 -0.594) 2.739 7.039 ( -0.017 0.335 -0.319) 0.463 7.426 ( 1.105 3.425 6.755) 7.654 7.463 ( -2.515 1.768 7.412) 8.024 7.618 ( 10.379 -11.122 -0.558) 15.223 7.826 ( -10.456 -12.110 -1.928) 16.115 7.881 ( 10.677 3.915 -2.632) 11.673 8.061 ( -1.346 3.463 -1.342) 3.951 8.178 ( -1.097 7.239 -0.503) 7.339 8.339 ( -11.021 10.923 -0.934) 15.545 8.854 ( 4.751 -11.920 4.959) 13.757 8.937 ( -2.937 -7.438 4.062) 8.969 9.075 ( 3.877 -3.083 5.407) 7.333 9.161 ( -4.625 -3.155 8.742) 10.381 9.414 ( -0.040 10.982 -1.346) 11.065 9.439 ( -2.556 9.354 -1.381) 9.795 10.013 ( 8.540 -9.895 -5.315) 14.110 10.173 ( -7.567 -9.405 -6.636) 13.775 10.437 ( 6.670 2.775 -0.968) 7.289 10.502 ( 0.181 1.338 1.109) 1.747 10.664 ( 0.973 6.450 -0.588) 6.550 10.746 ( -5.477 7.007 -1.227) 8.977 10.842 ( 3.789 -1.049 5.120) 6.455 10.908 ( -2.331 -0.531 1.392) 2.766 11.189 ( 3.547 3.426 -12.210) 13.169 11.280 ( -5.520 1.516 -3.819) 6.882 11.739 ( 1.390 -1.124 -3.685) 4.096 11.784 ( -3.095 -2.790 -3.449) 5.409 11.973 ( 5.285 0.781 -0.017) 5.343 12.081 ( -3.676 0.321 3.456) 5.055 12.297 ( 1.303 5.984 3.689) 7.149 12.415 ( -8.641 1.477 7.576) 11.586 13.058 ( 6.245 -6.424 -10.628) 13.901 13.086 ( 4.812 -1.439 -14.865) 15.691 13.331 ( 6.358 -0.858 -6.131) 8.874 13.393 ( -4.792 -6.640 -11.029) 13.737 13.503 ( 8.306 2.454 -4.405) 9.717 13.764 ( -14.157 7.367 -4.137) 16.487 15.495 ( 14.957 -0.787 -1.079) 15.016 15.630 ( 9.712 -6.681 -2.937) 12.148 15.793 ( -7.411 0.018 -6.039) 9.559 15.937 ( -14.001 -6.141 -0.946) 15.318 19.141 ( 2.270 -0.344 8.081) 8.401 19.204 ( -4.148 0.304 9.242) 10.135 19.260 ( 1.687 -1.699 9.157) 9.465 19.295 ( -1.950 -1.105 9.986) 10.234 20.193 ( 2.061 10.298 -0.258) 10.506 20.274 ( -5.682 5.147 0.692) 7.698 20.951 ( 13.900 1.640 0.632) 14.010 21.256 ( -17.032 -0.923 5.585) 17.948 22.385 ( -0.213 -2.261 0.252) 2.285 22.432 ( -4.665 -2.528 1.768) 5.593 23.049 ( 8.608 2.990 -6.322) 11.091 23.197 ( -6.158 -0.090 -6.949) 9.285 23.496 ( 1.787 -0.423 1.761) 2.544 23.508 ( 0.805 -0.503 1.687) 1.936 24.157 ( 3.619 -0.558 -6.232) 7.228 24.206 ( -1.514 -1.575 -5.071) 5.521 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 11.059 20.753) 23.516 1.205 ( 0.000 19.840 13.407) 23.945 1.245 ( 0.000 -5.085 19.562) 20.212 1.505 ( 0.000 -2.292 6.146) 6.559 1.741 ( 0.000 21.660 2.636) 21.819 2.002 ( 0.000 5.288 4.554) 6.978 2.141 ( 0.000 0.472 5.841) 5.860 2.361 ( 0.000 -28.629 -4.759) 29.022 2.374 ( 0.000 0.576 8.007) 8.027 2.499 ( 0.000 -10.504 -1.189) 10.571 2.782 ( 0.000 8.532 3.979) 9.414 2.997 ( 0.000 -12.401 3.763) 12.959 3.102 ( 0.000 14.165 2.169) 14.330 3.342 ( 0.000 -10.006 2.995) 10.444 3.642 ( 0.000 3.422 -2.628) 4.315 3.725 ( 0.000 -1.232 -4.117) 4.297 3.781 ( 0.000 0.885 0.810) 1.200 3.792 ( 0.000 1.929 0.120) 1.933 3.943 ( 0.000 4.842 10.771) 11.809 3.966 ( 0.000 -3.239 0.372) 3.260 3.992 ( 0.000 4.589 0.201) 4.593 4.184 ( 0.000 -11.045 7.388) 13.288 4.462 ( 0.000 7.468 -7.174) 10.356 4.571 ( 0.000 -2.951 -4.053) 5.014 4.755 ( 0.000 9.791 -1.736) 9.944 4.805 ( 0.000 3.738 -7.976) 8.809 5.027 ( 0.000 -5.939 0.369) 5.951 5.030 ( 0.000 -6.920 -3.799) 7.894 5.096 ( 0.000 4.315 5.437) 6.942 5.222 ( 0.000 -7.669 10.754) 13.208 5.544 ( 0.000 7.777 4.832) 9.155 5.707 ( 0.000 -8.035 -0.789) 8.074 6.044 ( 0.000 6.314 3.638) 7.287 6.130 ( 0.000 9.103 7.076) 11.529 6.186 ( 0.000 -6.097 3.831) 7.201 6.346 ( 0.000 -8.784 -1.872) 8.981 6.590 ( 0.000 2.176 1.452) 2.616 6.667 ( 0.000 -7.939 5.518) 9.668 7.013 ( 0.000 7.594 -3.191) 8.238 7.138 ( 0.000 -5.986 -3.357) 6.863 7.245 ( 0.000 6.970 3.280) 7.703 7.375 ( 0.000 -5.689 2.610) 6.259 7.584 ( 0.000 13.468 -4.114) 14.083 7.782 ( 0.000 3.593 -2.457) 4.353 7.865 ( 0.000 1.443 5.360) 5.550 8.130 ( 0.000 -17.817 6.429) 18.941 8.230 ( 0.000 3.691 3.922) 5.385 8.391 ( 0.000 -10.295 -6.815) 12.346 8.932 ( 0.000 2.229 4.267) 4.814 8.947 ( 0.000 -0.181 -1.463) 1.474 9.251 ( 0.000 3.035 -9.754) 10.216 9.312 ( 0.000 -3.106 -1.383) 3.400 9.454 ( 0.000 1.735 4.409) 4.738 9.493 ( 0.000 -2.854 0.982) 3.018 10.043 ( 0.000 12.189 4.712) 13.068 10.126 ( 0.000 9.415 2.824) 9.829 10.264 ( 0.000 -6.542 6.253) 9.050 10.320 ( 0.000 -4.720 -1.388) 4.920 10.484 ( 0.000 3.206 1.297) 3.459 10.602 ( 0.000 -7.138 -5.303) 8.892 10.847 ( 0.000 1.211 -9.156) 9.235 10.864 ( 0.000 -0.534 -10.871) 10.884 11.481 ( 0.000 8.790 -6.353) 10.845 11.521 ( 0.000 2.477 7.770) 8.156 11.830 ( 0.000 -1.483 -9.109) 9.229 11.856 ( 0.000 3.176 -7.047) 7.730 11.917 ( 0.000 -5.594 -19.542) 20.327 11.974 ( 0.000 -5.426 -1.616) 5.661 12.473 ( 0.000 1.290 -12.408) 12.474 12.475 ( 0.000 0.943 -10.211) 10.254 12.858 ( 0.000 5.733 0.744) 5.781 12.944 ( 0.000 -3.498 3.334) 4.833 13.108 ( 0.000 0.049 15.695) 15.695 13.120 ( 0.000 -1.529 17.173) 17.241 14.114 ( 0.000 9.617 -7.127) 11.970 14.315 ( 0.000 -11.456 0.990) 11.499 14.667 ( 0.000 5.497 6.144) 8.244 14.779 ( 0.000 -5.987 5.306) 8.000 16.098 ( 0.000 1.876 -8.152) 8.365 16.199 ( 0.000 -10.506 0.451) 10.516 19.076 ( 0.000 0.851 7.580) 7.628 19.128 ( 0.000 -3.806 7.186) 8.132 19.393 ( 0.000 0.816 12.248) 12.275 19.414 ( 0.000 -1.556 13.945) 14.031 20.382 ( 0.000 3.623 -3.110) 4.775 20.448 ( 0.000 -3.183 -1.674) 3.596 21.881 ( 0.000 10.389 -18.610) 21.313 22.016 ( 0.000 -4.851 -14.569) 15.355 22.567 ( 0.000 2.373 -0.856) 2.523 22.599 ( 0.000 -1.326 1.860) 2.284 22.754 ( 0.000 1.432 -1.393) 1.998 22.779 ( 0.000 -0.985 -1.745) 2.004 23.262 ( 0.000 0.194 2.984) 2.991 23.266 ( 0.000 -0.233 3.685) 3.693 24.044 ( 0.000 5.133 -3.656) 6.301 24.142 ( 0.000 -4.947 -3.888) 6.292 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.363 13.162 9.352) 16.493 1.308 ( 8.734 13.326 11.442) 19.616 1.363 ( 11.203 -3.260 14.762) 18.817 1.623 ( 8.834 -7.763 2.981) 12.132 1.871 ( 9.049 18.792 -3.372) 21.128 1.988 ( 8.753 2.321 7.401) 11.695 2.357 ( 12.021 -2.491 6.662) 13.968 2.379 ( 5.493 -2.465 1.738) 6.267 2.473 ( 6.053 -11.703 2.094) 13.341 2.564 ( 4.163 -8.359 -2.409) 9.644 2.733 ( -2.314 0.780 3.074) 3.926 2.951 ( -6.393 -0.584 8.096) 10.332 3.143 ( 4.732 1.692 -1.665) 5.293 3.359 ( 0.831 -4.550 1.361) 4.822 3.641 ( -6.335 3.592 -2.323) 7.644 3.654 ( 1.235 0.710 -0.723) 1.598 3.736 ( -8.889 -2.640 -2.412) 9.581 3.744 ( -3.302 1.229 0.399) 3.545 3.844 ( 3.112 0.264 2.221) 3.832 4.000 ( 4.104 9.645 5.769) 11.965 4.182 ( 6.419 -5.624 5.623) 10.220 4.284 ( 10.726 -7.583 0.956) 13.170 4.388 ( -5.550 6.080 -7.819) 11.354 4.521 ( -7.303 -0.732 -2.540) 7.767 4.686 ( -5.971 4.028 -4.110) 8.293 4.793 ( -2.349 1.809 -4.384) 5.292 4.973 ( -1.685 -5.040 -2.843) 6.027 5.059 ( -0.221 -2.929 -1.984) 3.545 5.108 ( 3.823 2.617 4.177) 6.238 5.273 ( 3.634 -2.696 8.858) 9.947 5.605 ( 4.801 7.161 6.122) 10.574 5.779 ( 5.700 -6.956 -0.417) 9.003 5.979 ( -4.927 5.631 3.669) 8.333 6.140 ( -3.810 -7.668 6.596) 10.809 6.158 ( 1.997 6.602 2.974) 7.511 6.356 ( 1.168 -3.866 -4.364) 5.946 6.560 ( -2.414 2.005 3.892) 4.999 6.712 ( 3.678 -9.279 5.310) 11.305 7.014 ( 0.638 3.463 -3.569) 5.014 7.099 ( -1.492 0.040 -4.949) 5.170 7.344 ( 5.707 2.510 1.868) 6.509 7.444 ( 5.288 -2.467 6.467) 8.711 7.537 ( -3.309 11.529 -2.941) 12.350 7.784 ( -0.051 -0.689 -5.129) 5.175 7.839 ( -0.686 2.663 4.253) 5.065 8.136 ( -5.984 -5.111 -4.057) 8.854 8.216 ( 4.783 -8.007 5.854) 11.011 8.434 ( 3.267 -7.082 -0.431) 7.811 8.920 ( -1.796 0.620 0.783) 2.055 8.946 ( -0.325 2.065 2.379) 3.167 9.039 ( -11.352 3.959 -1.070) 12.070 9.271 ( -7.797 -5.655 7.084) 11.956 9.503 ( 5.843 1.198 -2.013) 6.295 9.580 ( 3.897 -1.398 -3.274) 5.279 9.982 ( -7.954 14.655 1.426) 16.735 10.189 ( 7.335 5.177 1.484) 9.099 10.234 ( -2.860 -8.235 1.346) 8.821 10.375 ( 5.540 -4.538 4.527) 8.472 10.547 ( 6.311 0.427 -3.855) 7.408 10.673 ( 4.351 -2.560 -1.292) 5.211 10.831 ( 0.741 0.649 -8.006) 8.066 10.895 ( 1.357 0.084 -9.431) 9.528 11.428 ( -5.168 8.541 -9.933) 14.083 11.510 ( -2.536 2.138 -1.442) 3.617 11.687 ( -5.217 -5.040 3.274) 7.958 11.862 ( -3.640 -0.966 -9.295) 10.029 11.900 ( -0.059 2.778 -7.187) 7.705 12.018 ( 2.256 -5.055 -4.000) 6.829 12.564 ( 10.327 0.689 -10.353) 14.639 12.659 ( 10.772 0.686 -13.025) 16.916 12.805 ( -7.017 5.400 9.579) 13.045 12.898 ( -3.669 -1.031 6.270) 7.338 12.937 ( -1.212 -0.387 -3.826) 4.032 13.297 ( 5.382 -3.166 16.570) 17.707 13.754 ( -20.238 0.563 -12.683) 23.890 14.323 ( -6.294 2.671 2.967) 7.453 14.875 ( 11.872 -2.606 4.378) 12.919 14.929 ( 17.167 -3.348 3.850) 17.909 16.042 ( -4.741 -0.279 -7.178) 8.607 16.185 ( -2.569 -7.003 -1.048) 7.532 19.081 ( 0.644 0.784 6.950) 7.024 19.143 ( 1.419 -3.341 7.976) 8.763 19.365 ( -2.755 -0.049 11.454) 11.781 19.389 ( -2.328 -0.486 13.856) 14.059 20.381 ( -0.325 1.875 -2.229) 2.931 20.464 ( 1.381 -0.783 -0.431) 1.645 21.292 ( -28.856 10.755 -17.993) 35.666 22.025 ( -21.556 1.320 11.468) 24.452 22.610 ( -4.850 1.387 -5.471) 7.441 22.626 ( 11.394 0.707 -10.730) 15.667 22.682 ( -5.973 -1.914 -0.370) 6.283 22.918 ( 14.021 -4.707 -1.417) 14.858 23.334 ( 7.056 0.228 0.692) 7.094 23.399 ( 7.367 -0.012 1.251) 7.473 24.054 ( 1.361 4.873 -4.105) 6.515 24.148 ( 0.633 -4.667 -3.924) 6.130 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.625 6.157 -4.002) 13.750 1.504 ( 9.792 7.149 2.546) 12.388 1.636 ( 15.130 -2.184 8.855) 17.666 1.765 ( 8.199 -9.567 -4.330) 13.323 2.141 ( 13.028 8.273 0.351) 15.437 2.207 ( 10.406 5.527 1.793) 11.918 2.480 ( 0.887 4.930 4.292) 6.596 2.548 ( 5.718 -10.090 -2.033) 11.774 2.572 ( 7.383 8.683 4.202) 12.148 2.587 ( -0.688 -8.019 3.988) 8.982 2.745 ( -1.916 -1.774 4.963) 5.608 2.816 ( -1.145 -6.933 4.331) 8.254 3.213 ( 0.838 4.003 -2.634) 4.865 3.350 ( -1.750 -1.489 -1.349) 2.665 3.515 ( -3.703 3.982 -1.592) 5.666 3.647 ( 0.486 1.676 -2.660) 3.181 3.682 ( -1.293 -1.036 0.429) 1.712 3.725 ( 3.054 -0.999 3.510) 4.759 3.890 ( 1.839 0.720 -0.179) 1.983 4.111 ( 4.201 5.385 6.692) 9.562 4.246 ( -7.456 1.301 -7.444) 10.616 4.285 ( 0.723 -0.919 -2.491) 2.751 4.301 ( -9.442 -3.455 -4.695) 11.096 4.477 ( 3.543 -7.327 0.279) 8.143 4.579 ( -0.675 3.709 -0.219) 3.776 4.736 ( -1.888 -1.417 -1.710) 2.915 4.952 ( -1.566 -2.999 -5.409) 6.380 5.024 ( -3.272 1.084 -2.469) 4.240 5.241 ( 8.297 2.261 4.316) 9.622 5.347 ( 4.207 -0.841 9.805) 10.703 5.677 ( 1.155 8.382 5.534) 10.111 5.813 ( -3.124 3.057 7.341) 8.544 5.915 ( -0.728 -7.504 -2.191) 7.851 6.086 ( 0.301 -5.445 5.072) 7.447 6.222 ( 2.879 -0.499 -1.328) 3.209 6.387 ( 0.178 0.684 -6.383) 6.422 6.517 ( 0.908 6.048 6.174) 8.691 6.796 ( 4.876 -10.049 4.316) 11.974 7.049 ( 2.033 0.526 -1.755) 2.736 7.071 ( -1.906 2.416 -6.932) 7.584 7.404 ( -1.115 4.650 0.730) 4.837 7.468 ( 2.393 -0.512 1.762) 3.016 7.538 ( -0.596 5.453 5.606) 7.844 7.735 ( -5.482 -13.533 -2.314) 14.783 7.878 ( 3.917 11.025 -4.754) 12.629 8.070 ( 0.348 -4.944 -6.213) 7.947 8.278 ( 1.967 2.048 3.560) 4.554 8.516 ( 5.232 -9.716 3.910) 11.708 8.761 ( -11.512 8.158 -0.211) 14.111 8.911 ( -3.747 -3.443 2.055) 5.488 8.970 ( 1.672 1.074 7.145) 7.416 9.138 ( -4.955 -6.997 9.717) 12.958 9.562 ( 1.473 5.853 -3.206) 6.834 9.677 ( 5.385 -4.233 -5.506) 8.789 9.822 ( -7.230 13.249 1.613) 15.180 10.103 ( -7.374 -12.944 -1.487) 14.971 10.367 ( 7.955 4.046 -0.468) 8.937 10.502 ( 4.572 0.419 2.007) 5.010 10.679 ( 6.403 0.794 -2.359) 6.869 10.723 ( 2.442 -2.012 -1.275) 3.411 10.878 ( 0.840 2.545 -3.361) 4.299 10.909 ( 1.376 -0.813 -5.115) 5.359 11.310 ( -5.545 6.565 -12.584) 15.239 11.399 ( -6.777 -2.333 -5.195) 8.852 11.697 ( 3.011 0.518 2.774) 4.127 11.787 ( -2.778 -4.106 -7.147) 8.698 11.899 ( 0.502 2.209 -0.059) 2.266 12.062 ( 2.295 -1.163 1.678) 3.072 12.551 ( -8.790 5.599 10.582) 14.852 12.626 ( -8.931 -1.637 13.621) 16.370 12.844 ( 4.531 -1.610 -13.287) 14.131 12.995 ( 10.438 7.563 -17.792) 21.971 13.090 ( 16.156 -0.402 -11.292) 19.715 13.271 ( -6.107 -11.085 -3.665) 13.176 13.519 ( -4.325 1.342 -6.485) 7.909 14.135 ( -12.046 3.445 -0.088) 12.529 15.143 ( 15.886 -2.191 2.750) 16.270 15.267 ( 15.740 -3.194 2.725) 16.290 15.929 ( -6.757 -0.944 -6.097) 9.149 16.072 ( -9.137 -3.979 -1.865) 10.139 19.105 ( 1.787 1.029 6.291) 6.621 19.177 ( 1.974 -2.717 9.270) 9.860 19.294 ( -4.117 -0.129 9.665) 10.506 19.333 ( -3.179 -0.118 13.036) 13.419 20.365 ( -1.280 2.056 -1.087) 2.654 20.460 ( -3.075 2.751 1.079) 4.265 20.935 ( -6.085 8.671 -11.958) 15.976 21.587 ( -20.903 -1.430 11.205) 23.760 22.429 ( -7.211 -0.343 -1.058) 7.297 22.511 ( -7.909 -1.739 2.415) 8.451 22.935 ( 11.802 3.851 -9.587) 15.685 23.123 ( 6.805 -5.499 -3.880) 9.571 23.453 ( 4.090 0.364 -0.040) 4.106 23.484 ( 1.533 0.166 0.953) 1.813 24.101 ( 3.043 2.826 -4.973) 6.479 24.164 ( 0.847 -3.501 -4.265) 5.582 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 10.931 -0.974 -9.987) 14.838 1.610 ( -0.440 -1.965 -8.789) 9.017 1.908 ( 13.180 -0.666 4.191) 13.846 2.020 ( 15.980 -0.701 -0.801) 16.015 2.138 ( -8.515 -4.337 3.317) 10.115 2.297 ( -9.136 6.712 -1.315) 11.413 2.467 ( 2.596 4.638 5.090) 7.360 2.539 ( -2.044 0.033 2.335) 3.103 2.603 ( -2.119 -1.151 7.993) 8.349 2.623 ( -2.471 -2.426 3.425) 4.871 2.828 ( 14.413 0.603 -0.952) 14.457 2.937 ( 5.402 -2.417 2.202) 6.314 3.191 ( -0.227 8.131 -3.012) 8.674 3.280 ( -5.766 2.307 -2.010) 6.528 3.556 ( 6.336 2.136 -2.552) 7.157 3.660 ( -1.763 4.509 -0.901) 4.925 3.679 ( 2.263 -1.881 -1.421) 3.268 3.768 ( -2.730 -0.425 -0.335) 2.783 3.919 ( 0.235 -0.045 -3.399) 3.407 3.944 ( -7.326 -3.111 -3.896) 8.862 4.186 ( -2.952 -1.911 0.264) 3.527 4.197 ( -2.024 -5.087 5.972) 8.101 4.343 ( 4.142 2.524 -5.879) 7.621 4.421 ( -3.870 -2.219 -1.914) 4.854 4.685 ( 6.100 0.216 0.951) 6.177 4.743 ( 1.018 -2.058 2.100) 3.112 4.902 ( -2.074 0.632 -7.033) 7.360 4.941 ( -4.656 1.482 -3.754) 6.162 5.382 ( 5.582 3.616 9.121) 11.289 5.431 ( 2.255 -1.296 13.145) 13.400 5.649 ( -0.615 4.931 1.580) 5.214 5.719 ( -5.770 -1.701 6.135) 8.592 5.988 ( 7.891 0.558 -0.084) 7.911 6.113 ( -0.895 -3.492 4.285) 5.600 6.227 ( -0.653 -3.127 -4.111) 5.206 6.291 ( -6.463 -5.218 -2.949) 8.814 6.678 ( 11.544 7.786 0.132) 13.925 6.851 ( -3.049 -1.642 1.069) 3.624 7.024 ( 0.811 2.732 -4.579) 5.394 7.072 ( -1.300 1.461 -0.123) 1.959 7.399 ( 1.851 -3.434 1.692) 4.252 7.472 ( -4.649 -1.973 3.472) 6.129 7.534 ( 3.306 0.565 0.642) 3.415 7.616 ( -5.365 -6.707 -0.320) 8.595 7.969 ( 5.190 4.203 -7.077) 9.731 8.060 ( -3.111 -2.137 -5.857) 6.968 8.360 ( 7.226 9.878 3.418) 12.708 8.540 ( -10.413 8.766 0.815) 13.636 8.644 ( 7.380 -9.432 6.829) 13.786 8.797 ( -7.507 -7.002 5.480) 11.637 9.021 ( 3.048 -1.454 5.722) 6.644 9.075 ( -2.392 -4.055 6.900) 8.353 9.599 ( 2.675 9.247 -3.557) 10.262 9.674 ( -4.792 12.722 -4.395) 14.288 9.819 ( 6.226 -9.404 -0.326) 11.283 9.956 ( -7.425 -12.456 -1.668) 14.597 10.491 ( 4.288 2.022 -1.851) 5.089 10.535 ( -0.465 1.284 -1.057) 1.727 10.742 ( 3.127 1.224 -2.726) 4.325 10.812 ( -1.392 -0.299 4.051) 4.294 10.862 ( 3.475 3.383 -5.012) 6.975 10.928 ( -1.176 1.803 0.339) 2.180 11.249 ( -0.367 2.604 -8.530) 8.926 11.289 ( -4.102 -0.987 -4.752) 6.354 11.716 ( 0.166 -0.267 -6.732) 6.739 11.742 ( -2.362 -1.921 -6.257) 6.958 11.986 ( 7.133 0.401 6.638) 9.752 12.083 ( -1.387 -0.084 5.831) 5.994 12.417 ( -3.225 5.505 8.146) 10.348 12.457 ( -6.630 1.580 10.372) 12.411 12.931 ( 5.047 -4.670 -12.083) 13.902 13.043 ( -5.632 -3.099 -11.401) 13.088 13.263 ( 7.617 -2.123 -10.694) 13.300 13.374 ( 0.389 0.608 -16.695) 16.710 13.539 ( 13.252 0.947 -6.283) 14.696 13.860 ( -15.879 2.649 -6.158) 17.236 15.473 ( 16.470 -1.198 0.413) 16.519 15.537 ( 11.342 -2.462 0.358) 11.612 15.777 ( -8.394 -1.017 -3.679) 9.221 15.838 ( -13.708 -3.099 -1.218) 14.107 19.151 ( 2.835 1.156 6.472) 7.159 19.215 ( -3.613 0.629 7.639) 8.474 19.220 ( 2.242 -1.999 10.539) 10.958 19.272 ( -2.943 -1.082 11.746) 12.157 20.345 ( -0.158 3.897 -0.846) 3.990 20.377 ( -3.584 4.490 -0.786) 5.798 20.991 ( 8.950 1.997 -1.549) 9.300 21.232 ( -15.246 -1.301 6.217) 16.516 22.348 ( -0.983 -1.186 0.273) 1.564 22.386 ( -4.518 -1.732 1.847) 5.179 23.111 ( 6.388 2.910 -7.253) 10.094 23.183 ( -0.622 -1.335 -6.010) 6.188 23.491 ( 0.585 0.045 1.785) 1.879 23.497 ( 0.213 -0.521 1.665) 1.758 24.153 ( 1.956 0.355 -5.100) 5.474 24.173 ( -0.131 -1.651 -4.739) 5.020 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 0.000 22.511) 22.511 1.200 ( 0.000 0.000 24.705) 24.705 1.520 ( 0.000 0.000 23.504) 23.504 1.859 ( 0.000 0.000 21.904) 21.904 1.900 ( 0.000 0.000 7.317) 7.317 1.973 ( 0.000 0.000 21.332) 21.332 2.209 ( 0.000 0.000 7.306) 7.306 2.662 ( 0.000 0.000 -0.815) 0.815 2.683 ( 0.000 0.000 -3.824) 3.824 2.709 ( 0.000 0.000 2.669) 2.669 2.749 ( 0.000 0.000 -18.690) 18.690 2.998 ( 0.000 0.000 13.150) 13.150 3.130 ( 0.000 0.000 -6.305) 6.305 3.373 ( 0.000 0.000 -5.498) 5.498 3.614 ( 0.000 0.000 4.300) 4.300 3.649 ( 0.000 0.000 2.958) 2.958 3.692 ( 0.000 0.000 -5.002) 5.002 3.850 ( 0.000 0.000 7.737) 7.737 3.864 ( 0.000 0.000 -1.941) 1.941 4.101 ( 0.000 0.000 -2.527) 2.527 4.138 ( 0.000 0.000 9.838) 9.838 4.211 ( 0.000 0.000 -4.327) 4.327 4.291 ( 0.000 0.000 0.083) 0.083 4.428 ( 0.000 0.000 -5.565) 5.565 4.438 ( 0.000 0.000 -2.111) 2.111 4.544 ( 0.000 0.000 -3.489) 3.489 5.040 ( 0.000 0.000 -3.157) 3.157 5.092 ( 0.000 0.000 -6.439) 6.439 5.303 ( 0.000 0.000 -6.864) 6.864 5.334 ( 0.000 0.000 -9.110) 9.110 5.843 ( 0.000 0.000 10.389) 10.389 5.986 ( 0.000 0.000 5.779) 5.779 5.987 ( 0.000 0.000 20.897) 20.897 6.115 ( 0.000 0.000 4.229) 4.229 6.152 ( 0.000 0.000 -11.134) 11.134 6.447 ( 0.000 0.000 3.415) 3.415 6.480 ( 0.000 0.000 0.605) 0.605 6.794 ( 0.000 0.000 1.511) 1.511 7.162 ( 0.000 0.000 -3.787) 3.787 7.181 ( 0.000 0.000 0.529) 0.529 7.222 ( 0.000 0.000 -2.607) 2.607 7.281 ( 0.000 0.000 8.281) 8.281 7.454 ( 0.000 0.000 -2.972) 2.972 7.789 ( 0.000 0.000 9.642) 9.642 7.819 ( 0.000 0.000 -1.448) 1.448 8.301 ( 0.000 0.000 -16.022) 16.022 8.429 ( 0.000 0.000 -1.006) 1.006 8.536 ( 0.000 0.000 -5.951) 5.951 8.804 ( 0.000 0.000 -15.646) 15.646 8.994 ( 0.000 0.000 -0.964) 0.964 9.149 ( 0.000 0.000 18.120) 18.120 9.209 ( 0.000 0.000 -1.313) 1.313 9.548 ( 0.000 0.000 -4.958) 4.958 9.695 ( 0.000 0.000 11.475) 11.475 9.943 ( 0.000 0.000 9.292) 9.292 10.097 ( 0.000 0.000 15.813) 15.813 10.153 ( 0.000 0.000 -2.117) 2.117 10.451 ( 0.000 0.000 -11.692) 11.692 10.494 ( 0.000 0.000 -14.449) 14.449 10.553 ( 0.000 0.000 8.135) 8.135 10.712 ( 0.000 0.000 2.321) 2.321 10.958 ( 0.000 0.000 1.318) 1.318 10.990 ( 0.000 0.000 6.522) 6.522 11.547 ( 0.000 0.000 -11.603) 11.603 11.730 ( 0.000 0.000 8.365) 8.365 11.730 ( 0.000 0.000 -17.491) 17.491 11.905 ( 0.000 0.000 -4.691) 4.691 11.963 ( 0.000 0.000 -11.635) 11.635 12.155 ( 0.000 0.000 -12.424) 12.424 12.263 ( 0.000 0.000 6.271) 6.271 12.522 ( 0.000 0.000 -6.240) 6.240 13.043 ( 0.000 0.000 1.219) 1.219 13.289 ( 0.000 0.000 -11.028) 11.028 13.563 ( 0.000 0.000 -4.781) 4.781 13.574 ( 0.000 0.000 17.344) 17.344 14.546 ( 0.000 0.000 -5.945) 5.945 14.752 ( 0.000 0.000 10.526) 10.526 15.064 ( 0.000 0.000 9.193) 9.193 15.755 ( 0.000 0.000 -17.538) 17.538 16.619 ( 0.000 0.000 -25.154) 25.154 19.440 ( 0.000 0.000 11.099) 11.099 19.466 ( 0.000 0.000 8.630) 8.630 19.705 ( 0.000 0.000 19.110) 19.110 19.848 ( 0.000 0.000 -2.328) 2.328 20.167 ( 0.000 0.000 -7.296) 7.296 20.566 ( 0.000 0.000 2.186) 2.186 20.774 ( 0.000 0.000 -1.835) 1.835 21.752 ( 0.000 0.000 -18.706) 18.706 22.483 ( 0.000 0.000 2.740) 2.740 22.669 ( 0.000 0.000 0.058) 0.058 22.688 ( 0.000 0.000 -1.706) 1.706 22.752 ( 0.000 0.000 -1.733) 1.733 23.325 ( 0.000 0.000 4.403) 4.403 23.402 ( 0.000 0.000 7.356) 7.356 23.847 ( 0.000 0.000 -5.294) 5.294 24.127 ( 0.000 0.000 -7.087) 7.087 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -5.945 0.000 25.768) 26.445 1.162 ( 10.550 0.000 19.278) 21.976 1.667 ( 11.007 0.000 15.202) 18.769 1.840 ( -1.904 0.000 16.052) 16.165 1.933 ( 3.257 0.000 4.940) 5.917 2.181 ( 16.656 0.000 16.563) 23.490 2.251 ( 4.412 0.000 8.454) 9.536 2.587 ( -3.604 0.000 -1.749) 4.006 2.615 ( -3.373 0.000 -3.877) 5.139 2.764 ( 0.217 0.000 -15.148) 15.150 2.822 ( 4.320 0.000 -0.816) 4.396 3.007 ( 0.682 0.000 11.631) 11.651 3.213 ( 7.393 0.000 -5.576) 9.260 3.381 ( 0.417 0.000 -0.736) 0.846 3.468 ( -10.605 0.000 0.209) 10.607 3.683 ( 1.565 0.000 -3.397) 3.740 3.692 ( -9.658 0.000 5.205) 10.971 3.803 ( 5.794 0.000 -2.337) 6.247 3.861 ( -1.211 0.000 -2.769) 3.022 3.862 ( -11.676 0.000 6.824) 13.524 4.139 ( -4.583 0.000 -2.562) 5.250 4.218 ( -3.611 0.000 -1.736) 4.007 4.323 ( 7.126 0.000 0.386) 7.136 4.480 ( 2.198 0.000 0.719) 2.312 4.521 ( 4.773 0.000 -3.485) 5.910 4.628 ( 7.055 0.000 -1.457) 7.204 5.045 ( -5.090 0.000 -8.095) 9.562 5.045 ( 0.451 0.000 -1.911) 1.963 5.278 ( -1.143 0.000 -5.415) 5.534 5.299 ( -1.283 0.000 -5.994) 6.130 5.892 ( 3.709 0.000 10.971) 11.581 5.908 ( -6.882 0.000 6.893) 9.740 6.010 ( 1.944 0.000 10.694) 10.870 6.145 ( -0.616 0.000 -2.896) 2.961 6.168 ( 4.431 0.000 2.231) 4.961 6.448 ( -0.008 0.000 3.135) 3.135 6.453 ( -2.371 0.000 1.445) 2.777 6.830 ( 3.077 0.000 -1.048) 3.250 7.092 ( -8.637 0.000 -2.397) 8.963 7.120 ( -2.263 0.000 -1.122) 2.526 7.297 ( 9.436 0.000 -1.596) 9.570 7.350 ( 5.805 0.000 5.887) 8.268 7.521 ( 3.799 0.000 2.748) 4.689 7.770 ( -1.337 0.000 8.479) 8.584 7.829 ( 0.974 0.000 -1.622) 1.893 8.280 ( -8.276 0.000 -4.995) 9.667 8.286 ( -1.622 0.000 -15.565) 15.649 8.614 ( -3.617 0.000 1.297) 3.842 8.834 ( 7.212 0.000 -14.488) 16.184 9.007 ( 1.336 0.000 -1.799) 2.240 9.102 ( -4.307 0.000 9.368) 10.310 9.244 ( 1.827 0.000 4.165) 4.549 9.486 ( -5.001 0.000 -2.993) 5.828 9.679 ( -1.466 0.000 11.749) 11.840 9.927 ( -1.058 0.000 5.974) 6.067 10.109 ( 4.475 0.000 10.540) 11.451 10.314 ( 11.779 0.000 -5.622) 13.052 10.331 ( -7.071 0.000 -9.050) 11.485 10.521 ( -1.259 0.000 0.832) 1.509 10.645 ( 8.805 0.000 -7.280) 11.425 10.721 ( -0.062 0.000 0.824) 0.826 10.924 ( -3.633 0.000 1.074) 3.788 10.980 ( -0.459 0.000 8.208) 8.221 11.508 ( -5.383 0.000 -11.930) 13.088 11.680 ( -1.009 0.000 1.482) 1.793 11.746 ( 1.499 0.000 -14.208) 14.287 11.883 ( -0.170 0.000 6.443) 6.445 12.071 ( 4.076 0.000 -7.039) 8.134 12.178 ( 1.556 0.000 -15.707) 15.784 12.348 ( 10.724 0.000 -1.748) 10.866 12.549 ( 2.811 0.000 -5.812) 6.456 12.948 ( -8.713 0.000 3.100) 9.248 13.256 ( -8.006 0.000 9.404) 12.351 13.314 ( -6.873 0.000 -13.431) 15.087 13.731 ( 2.698 0.000 2.863) 3.935 14.256 ( -18.323 0.000 0.394) 18.327 15.031 ( 16.927 0.000 2.090) 17.056 15.113 ( 5.271 0.000 7.713) 9.343 15.756 ( -0.121 0.000 -15.380) 15.381 16.504 ( -11.021 0.000 -20.620) 23.381 19.439 ( -2.520 0.000 8.508) 8.873 19.448 ( 0.857 0.000 11.231) 11.264 19.677 ( -2.489 0.000 17.655) 17.829 19.879 ( 2.962 0.000 -1.520) 3.329 20.097 ( -19.501 0.000 6.048) 20.417 20.410 ( -5.318 0.000 -2.360) 5.818 20.539 ( -2.987 0.000 3.293) 4.446 22.163 ( 6.698 0.000 -0.139) 6.699 22.179 ( -1.201 0.000 -17.274) 17.316 22.566 ( -8.281 0.000 -2.561) 8.668 22.740 ( -3.390 0.000 1.168) 3.585 22.934 ( 13.704 0.000 -6.608) 15.214 23.382 ( 4.909 0.000 3.513) 6.037 23.447 ( 3.896 0.000 6.229) 7.347 23.843 ( 0.355 0.000 -5.288) 5.300 24.129 ( 0.030 0.000 -7.049) 7.049 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 13.230 0.000 10.837) 17.101 1.421 ( 14.426 0.000 11.215) 18.272 1.810 ( -0.256 0.000 6.989) 6.994 1.848 ( 3.465 0.000 0.990) 3.603 2.058 ( 11.724 0.000 5.600) 12.993 2.353 ( 3.890 0.000 5.416) 6.668 2.473 ( 9.262 0.000 5.824) 10.941 2.550 ( -2.120 0.000 -2.602) 3.357 2.570 ( 3.975 0.000 1.296) 4.181 2.737 ( -2.959 0.000 -9.413) 9.868 2.840 ( -1.729 0.000 0.037) 1.729 2.986 ( -4.555 0.000 8.568) 9.703 3.198 ( -15.947 0.000 2.671) 16.169 3.326 ( -8.778 0.000 3.491) 9.447 3.378 ( 8.784 0.000 -5.560) 10.396 3.589 ( -0.919 0.000 0.427) 1.014 3.593 ( 0.260 0.000 -0.394) 0.472 3.826 ( -1.993 0.000 -5.641) 5.983 3.899 ( 2.941 0.000 -3.332) 4.444 3.922 ( 9.004 0.000 0.976) 9.057 4.020 ( -4.556 0.000 -4.858) 6.661 4.160 ( -2.155 0.000 -2.254) 3.118 4.369 ( -4.253 0.000 -1.191) 4.417 4.497 ( -0.248 0.000 4.330) 4.338 4.641 ( 9.239 0.000 -1.589) 9.375 4.732 ( 2.405 0.000 2.134) 3.216 4.900 ( -8.894 0.000 -7.964) 11.939 5.049 ( -0.543 0.000 0.718) 0.900 5.305 ( 4.039 0.000 -2.016) 4.514 5.352 ( 7.242 0.000 -7.658) 10.540 5.746 ( -9.093 0.000 6.716) 11.305 5.919 ( -1.932 0.000 -3.124) 3.673 6.054 ( 1.242 0.000 7.138) 7.245 6.128 ( -1.353 0.000 10.220) 10.309 6.261 ( 4.580 0.000 0.322) 4.591 6.436 ( 2.930 0.000 5.817) 6.513 6.441 ( -0.890 0.000 1.256) 1.539 6.894 ( 3.267 0.000 -4.812) 5.816 6.936 ( -7.438 0.000 -0.903) 7.492 7.073 ( -2.505 0.000 -2.588) 3.602 7.480 ( 6.109 0.000 4.304) 7.473 7.527 ( 13.330 0.000 -0.239) 13.332 7.577 ( 2.300 0.000 7.238) 7.595 7.771 ( 2.223 0.000 6.673) 7.033 7.856 ( 2.216 0.000 0.119) 2.219 8.132 ( -7.148 0.000 -3.019) 7.759 8.233 ( -4.033 0.000 -10.869) 11.594 8.420 ( -13.561 0.000 -0.492) 13.570 8.988 ( 5.358 0.000 -4.622) 7.076 9.004 ( -4.468 0.000 0.715) 4.525 9.059 ( 4.023 0.000 -4.595) 6.107 9.214 ( -5.668 0.000 -4.238) 7.078 9.432 ( 0.880 0.000 9.060) 9.102 9.637 ( -2.920 0.000 13.571) 13.882 9.923 ( 1.065 0.000 0.464) 1.162 10.196 ( -6.499 0.000 -6.541) 9.221 10.249 ( 8.829 0.000 5.038) 10.165 10.508 ( 0.429 0.000 0.560) 0.706 10.566 ( 13.333 0.000 -13.487) 18.965 10.684 ( -3.501 0.000 -1.737) 3.908 10.813 ( -7.424 0.000 0.803) 7.467 10.824 ( 8.768 0.000 -4.162) 9.706 10.989 ( 1.265 0.000 10.125) 10.204 11.340 ( -10.833 0.000 -9.585) 14.464 11.714 ( 3.158 0.000 0.318) 3.174 11.788 ( 2.991 0.000 -8.867) 9.358 11.868 ( -1.646 0.000 3.298) 3.686 12.145 ( 5.594 0.000 3.854) 6.793 12.163 ( -4.285 0.000 -15.544) 16.123 12.636 ( 11.817 0.000 -6.474) 13.474 12.639 ( 6.585 0.000 -6.767) 9.442 12.768 ( -3.738 0.000 1.757) 4.130 13.048 ( -8.315 0.000 4.789) 9.595 13.287 ( 0.190 0.000 -13.016) 13.018 13.668 ( -8.118 0.000 -2.900) 8.621 13.891 ( -19.132 0.000 -2.533) 19.298 15.271 ( 10.192 0.000 4.387) 11.096 15.343 ( 15.005 0.000 -0.576) 15.016 15.735 ( -2.522 0.000 -10.615) 10.911 16.231 ( -15.654 0.000 -12.102) 19.787 19.384 ( -2.611 0.000 9.146) 9.511 19.473 ( 1.732 0.000 11.700) 11.827 19.620 ( -3.023 0.000 15.691) 15.980 19.657 ( -17.303 0.000 13.965) 22.236 19.961 ( 5.413 0.000 -0.410) 5.429 20.440 ( -7.153 0.000 4.635) 8.523 20.586 ( 15.324 0.000 -4.862) 16.077 21.766 ( -21.272 0.000 2.811) 21.457 22.436 ( -4.035 0.000 -1.572) 4.331 22.564 ( 15.487 0.000 -16.399) 22.556 22.634 ( -6.614 0.000 2.900) 7.222 23.077 ( 0.475 0.000 -10.804) 10.815 23.481 ( 4.552 0.000 3.020) 5.463 23.526 ( 3.495 0.000 4.397) 5.617 23.894 ( 4.864 0.000 -6.770) 8.336 24.121 ( -1.059 0.000 -7.111) 7.189 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 18.726 0.000 -2.109) 18.845 1.677 ( 10.789 0.000 0.990) 10.835 1.775 ( -10.198 0.000 -5.168) 11.433 1.812 ( -2.043 0.000 1.365) 2.457 2.329 ( 12.938 0.000 0.670) 12.955 2.379 ( 3.050 0.000 -0.077) 3.051 2.499 ( -3.585 0.000 -2.846) 4.577 2.515 ( -6.613 0.000 3.381) 7.427 2.724 ( 5.480 0.000 -2.073) 5.859 2.739 ( 6.249 0.000 8.350) 10.429 2.831 ( 1.160 0.000 1.367) 1.793 2.846 ( -2.243 0.000 7.116) 7.461 2.909 ( -12.412 0.000 1.979) 12.569 3.085 ( -14.153 0.000 2.355) 14.347 3.543 ( 7.439 0.000 -4.732) 8.816 3.627 ( 0.065 0.000 -2.126) 2.127 3.688 ( 8.045 0.000 3.895) 8.938 3.807 ( 1.719 0.000 -7.375) 7.573 3.847 ( -7.680 0.000 1.824) 7.894 3.890 ( -4.010 0.000 -6.149) 7.341 4.153 ( 2.051 0.000 -3.150) 3.759 4.213 ( 13.904 0.000 -5.080) 14.803 4.240 ( -6.536 0.000 -3.954) 7.639 4.439 ( -7.378 0.000 0.076) 7.379 4.732 ( -1.124 0.000 3.230) 3.420 4.752 ( -4.278 0.000 -0.751) 4.343 4.844 ( 10.087 0.000 2.297) 10.345 4.999 ( -5.123 0.000 2.748) 5.813 5.416 ( 6.880 0.000 1.411) 7.023 5.561 ( 12.785 0.000 -13.146) 18.338 5.569 ( -8.622 0.000 4.774) 9.855 5.800 ( -10.233 0.000 -15.110) 18.249 6.055 ( 0.593 0.000 13.053) 13.066 6.089 ( -2.344 0.000 14.569) 14.756 6.341 ( 3.682 0.000 -1.263) 3.893 6.406 ( -2.727 0.000 -1.283) 3.014 6.586 ( 10.360 0.000 6.289) 12.120 6.781 ( -8.871 0.000 2.625) 9.251 6.959 ( 3.374 0.000 -5.728) 6.648 7.022 ( -2.856 0.000 -4.457) 5.293 7.560 ( 2.637 0.000 6.637) 7.141 7.598 ( -0.807 0.000 6.625) 6.674 7.791 ( 12.355 0.000 0.729) 12.376 7.865 ( 6.970 0.000 4.911) 8.526 7.953 ( 7.768 0.000 0.969) 7.828 7.994 ( -6.290 0.000 -0.460) 6.307 8.117 ( -7.755 0.000 -2.981) 8.308 8.133 ( -14.774 0.000 0.596) 14.786 8.975 ( 2.129 0.000 -7.615) 7.907 9.064 ( 3.238 0.000 -2.936) 4.371 9.074 ( -7.113 0.000 -9.905) 12.195 9.105 ( -0.231 0.000 -3.823) 3.830 9.488 ( 3.876 0.000 14.943) 15.437 9.568 ( -3.999 0.000 15.151) 15.670 9.975 ( 4.171 0.000 -3.605) 5.513 10.076 ( -5.778 0.000 -5.302) 7.842 10.434 ( 9.790 0.000 1.500) 9.905 10.540 ( 2.669 0.000 -0.781) 2.781 10.606 ( -3.937 0.000 -2.009) 4.420 10.626 ( -9.396 0.000 -0.905) 9.439 10.844 ( 13.115 0.000 -12.160) 17.885 10.963 ( 4.897 0.000 1.902) 5.253 11.009 ( -0.004 0.000 7.854) 7.854 11.103 ( -12.949 0.000 -10.368) 16.589 11.777 ( 2.981 0.000 1.425) 3.304 11.828 ( -2.311 0.000 1.483) 2.746 11.873 ( 5.914 0.000 -5.965) 8.400 12.022 ( -8.688 0.000 -8.026) 11.828 12.301 ( 9.764 0.000 5.761) 11.337 12.507 ( -10.868 0.000 5.757) 12.299 12.794 ( 8.240 0.000 -10.133) 13.061 12.928 ( -5.380 0.000 -6.847) 8.707 13.082 ( 21.205 0.000 -10.566) 23.691 13.324 ( 4.327 0.000 -8.949) 9.940 13.472 ( -10.188 0.000 -6.710) 12.199 13.499 ( -20.837 0.000 -7.467) 22.135 15.478 ( 10.162 0.000 -0.066) 10.162 15.629 ( 14.492 0.000 -2.536) 14.712 15.646 ( -6.622 0.000 -5.246) 8.448 15.922 ( -15.433 0.000 -5.894) 16.520 19.361 ( 0.856 0.000 10.126) 10.162 19.432 ( -6.767 0.000 11.341) 13.206 19.514 ( 2.328 0.000 12.580) 12.793 19.563 ( -2.726 0.000 13.927) 14.191 20.094 ( 8.144 0.000 1.604) 8.301 20.271 ( -9.446 0.000 3.868) 10.207 20.937 ( 19.819 0.000 -2.451) 19.970 21.345 ( -21.465 0.000 0.262) 21.466 22.420 ( 2.186 0.000 0.573) 2.260 22.505 ( -5.971 0.000 2.456) 6.456 22.815 ( 10.755 0.000 -12.366) 16.388 22.995 ( -7.434 0.000 -10.875) 13.174 23.550 ( 2.347 0.000 3.022) 3.827 23.568 ( 0.630 0.000 3.381) 3.439 24.001 ( 5.187 0.000 -7.788) 9.357 24.082 ( -3.018 0.000 -7.479) 8.065 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 13.055 17.316) 21.686 1.291 ( 0.000 9.279 21.885) 23.771 1.573 ( 0.000 5.044 20.413) 21.027 1.776 ( 0.000 -4.563 18.858) 19.402 2.008 ( 0.000 0.396 18.369) 18.374 2.012 ( 0.000 6.571 9.110) 11.232 2.222 ( 0.000 2.169 7.702) 8.002 2.589 ( 0.000 -5.064 -2.675) 5.727 2.637 ( 0.000 -3.955 5.733) 6.965 2.669 ( 0.000 -14.202 -10.674) 17.766 2.739 ( 0.000 5.280 0.129) 5.281 2.980 ( 0.000 0.451 8.196) 8.209 3.075 ( 0.000 -1.413 -5.095) 5.287 3.452 ( 0.000 4.102 -5.672) 7.000 3.591 ( 0.000 -2.368 -0.966) 2.558 3.618 ( 0.000 -2.064 -0.194) 2.073 3.701 ( 0.000 1.084 -3.742) 3.896 3.822 ( 0.000 -3.204 -0.633) 3.266 3.951 ( 0.000 7.927 7.269) 10.755 4.008 ( 0.000 -6.030 -3.079) 6.771 4.138 ( 0.000 0.507 10.630) 10.642 4.214 ( 0.000 -0.166 -6.290) 6.292 4.427 ( 0.000 12.281 -0.663) 12.299 4.435 ( 0.000 1.662 3.020) 3.447 4.531 ( 0.000 5.759 -6.275) 8.517 4.543 ( 0.000 -0.003 -3.786) 3.786 5.044 ( 0.000 -2.382 -5.916) 6.377 5.071 ( 0.000 -2.291 -5.037) 5.533 5.177 ( 0.000 -6.079 -1.491) 6.260 5.399 ( 0.000 4.547 -8.476) 9.618 5.788 ( 0.000 -8.366 0.588) 8.387 5.812 ( 0.000 -12.170 23.078) 26.090 6.025 ( 0.000 4.219 4.317) 6.036 6.176 ( 0.000 5.799 7.069) 9.143 6.230 ( 0.000 6.691 -7.329) 9.924 6.391 ( 0.000 -4.317 3.988) 5.877 6.563 ( 0.000 4.444 1.899) 4.833 6.847 ( 0.000 5.224 0.035) 5.224 7.010 ( 0.000 -11.259 3.453) 11.777 7.203 ( 0.000 3.317 1.200) 3.528 7.290 ( 0.000 -11.445 -0.276) 11.449 7.304 ( 0.000 7.793 -2.758) 8.267 7.387 ( 0.000 5.805 1.993) 6.138 7.745 ( 0.000 -5.794 -1.139) 5.905 7.955 ( 0.000 10.678 8.812) 13.845 8.231 ( 0.000 -5.600 -14.461) 15.507 8.356 ( 0.000 -7.266 -1.609) 7.442 8.574 ( 0.000 -1.376 4.530) 4.734 8.801 ( 0.000 -7.625 -9.124) 11.891 8.839 ( 0.000 3.909 -16.194) 16.659 9.173 ( 0.000 1.663 19.180) 19.252 9.347 ( 0.000 3.399 -1.198) 3.604 9.488 ( 0.000 -4.462 -6.252) 7.681 9.630 ( 0.000 -4.753 8.828) 10.026 9.966 ( 0.000 5.350 6.999) 8.809 10.150 ( 0.000 5.037 13.323) 14.243 10.245 ( 0.000 6.438 0.677) 6.473 10.453 ( 0.000 0.104 -10.495) 10.496 10.499 ( 0.000 0.857 -12.209) 12.239 10.522 ( 0.000 -3.298 7.429) 8.128 10.683 ( 0.000 -2.766 1.381) 3.092 10.824 ( 0.000 -6.993 1.073) 7.075 11.159 ( 0.000 10.189 1.606) 10.315 11.589 ( 0.000 3.098 -12.129) 12.518 11.627 ( 0.000 -5.912 -15.459) 16.551 11.735 ( 0.000 0.197 9.000) 9.003 11.864 ( 0.000 -4.073 -3.966) 5.685 12.069 ( 0.000 -8.113 -4.506) 9.280 12.081 ( 0.000 8.900 -11.366) 14.436 12.271 ( 0.000 1.607 -3.527) 3.876 12.602 ( 0.000 6.252 -6.881) 9.297 12.946 ( 0.000 -7.172 -6.950) 9.988 13.363 ( 0.000 4.401 2.720) 5.174 13.548 ( 0.000 -2.581 17.144) 17.337 13.678 ( 0.000 12.226 -7.563) 14.376 14.484 ( 0.000 -6.814 -5.024) 8.466 14.772 ( 0.000 2.134 10.057) 10.280 15.024 ( 0.000 -4.078 8.891) 9.781 15.770 ( 0.000 1.830 -16.869) 16.968 16.403 ( 0.000 -19.369 -18.500) 26.785 19.392 ( 0.000 -5.589 11.782) 13.040 19.431 ( 0.000 -1.170 12.755) 12.808 19.673 ( 0.000 -2.492 15.893) 16.087 19.745 ( 0.000 -5.726 7.137) 9.150 20.212 ( 0.000 4.302 -5.475) 6.963 20.506 ( 0.000 -4.151 1.261) 4.338 21.088 ( 0.000 22.522 -15.415) 27.292 21.728 ( 0.000 -2.749 -19.172) 19.368 22.512 ( 0.000 2.755 2.056) 3.438 22.652 ( 0.000 -1.352 -0.184) 1.365 22.705 ( 0.000 1.297 -1.157) 1.738 22.755 ( 0.000 0.165 -1.615) 1.623 23.330 ( 0.000 0.536 4.460) 4.492 23.392 ( 0.000 -1.039 6.940) 7.017 23.871 ( 0.000 2.518 -5.532) 6.078 24.100 ( 0.000 -2.812 -6.995) 7.539 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -5.268 10.526 22.242) 25.164 1.274 ( 8.398 10.984 14.679) 20.166 1.705 ( 10.333 4.263 13.766) 17.733 1.803 ( 2.404 -3.801 16.355) 16.962 1.895 ( -4.646 -3.721 5.599) 8.172 2.230 ( 16.117 4.174 15.646) 22.847 2.340 ( 7.500 7.087 5.529) 11.707 2.521 ( -4.277 -6.027 0.024) 7.390 2.645 ( -1.757 2.117 -1.956) 3.376 2.661 ( 1.177 -10.053 -8.508) 13.223 2.798 ( 4.401 -1.258 1.077) 4.702 2.993 ( 1.086 -0.813 7.795) 7.912 3.163 ( 6.548 -2.694 -2.738) 7.592 3.414 ( -3.782 -0.027 -0.995) 3.911 3.478 ( -6.771 2.732 -4.255) 8.451 3.680 ( -0.380 -0.572 -4.780) 4.829 3.711 ( -5.481 -5.303 -1.324) 7.741 3.778 ( -3.971 1.592 4.705) 6.359 3.790 ( 0.517 -0.322 -4.134) 4.179 3.963 ( -3.771 6.582 5.708) 9.494 4.127 ( -5.257 1.308 -3.832) 6.636 4.292 ( 5.090 0.509 -2.750) 5.807 4.378 ( -0.177 7.638 2.656) 8.089 4.480 ( 0.399 -0.421 0.002) 0.580 4.535 ( 3.254 2.131 -1.015) 4.020 4.649 ( 5.537 1.498 -2.595) 6.296 5.029 ( -1.052 -4.063 -5.135) 6.632 5.033 ( -4.555 -2.334 -6.428) 8.216 5.178 ( 1.247 -3.743 -0.164) 3.949 5.349 ( -1.858 4.498 -4.313) 6.503 5.849 ( 3.652 -3.704 2.109) 5.613 5.870 ( 3.637 -10.930 17.004) 20.539 5.983 ( -2.542 4.177 5.277) 7.194 6.195 ( 0.333 4.027 2.565) 4.786 6.210 ( -0.067 4.821 -2.786) 5.568 6.375 ( -1.298 -3.505 4.396) 5.770 6.546 ( -1.988 4.126 1.470) 4.810 6.866 ( 1.973 3.151 -1.632) 4.060 7.047 ( 1.050 -7.689 2.973) 8.310 7.106 ( -5.583 -2.192 0.821) 6.054 7.250 ( 2.087 3.137 -1.847) 4.196 7.398 ( 4.009 0.037 0.218) 4.015 7.496 ( 8.559 2.460 1.675) 9.062 7.740 ( -1.406 -3.160 1.766) 3.883 7.945 ( 0.047 8.132 8.114) 11.487 8.144 ( -6.759 -8.177 -10.113) 14.657 8.306 ( -3.243 -3.484 -6.528) 8.079 8.701 ( -8.247 4.858 -8.038) 12.499 8.706 ( 8.106 -8.645 5.370) 13.011 8.886 ( 4.266 -2.806 -11.386) 12.479 9.174 ( -0.225 2.472 16.812) 16.995 9.376 ( 1.511 5.824 -4.879) 7.747 9.441 ( -4.116 -3.288 -7.230) 8.946 9.612 ( -1.907 -5.462 10.472) 11.964 9.924 ( -3.628 2.380 8.277) 9.345 10.160 ( 4.276 4.677 7.420) 9.758 10.326 ( -7.067 -0.519 -7.067) 10.008 10.363 ( 8.054 3.508 -3.555) 9.477 10.520 ( 0.282 -0.783 0.207) 0.857 10.647 ( 8.237 0.264 -7.538) 11.168 10.703 ( 2.214 -2.053 1.534) 3.387 10.815 ( -0.861 -5.529 1.466) 5.785 11.110 ( -4.184 8.295 2.454) 9.609 11.527 ( -6.620 -0.271 -10.767) 12.642 11.659 ( 2.900 -2.368 -12.045) 12.613 11.690 ( -1.179 -0.727 0.104) 1.389 11.902 ( 1.647 -0.129 8.719) 8.874 12.064 ( 2.047 -3.168 -5.741) 6.869 12.208 ( 6.128 4.514 -13.526) 15.521 12.333 ( 8.294 0.172 -8.634) 11.974 12.617 ( 2.150 5.135 -6.764) 8.761 12.899 ( -4.956 -3.730 -2.117) 6.555 13.242 ( -9.868 -1.473 11.384) 15.137 13.417 ( -10.208 8.934 -7.677) 15.587 13.689 ( -1.594 -3.511 5.285) 6.542 14.272 ( -14.356 1.146 -2.089) 14.552 15.013 ( 15.817 -1.551 3.653) 16.307 15.086 ( 6.816 -2.722 7.164) 10.256 15.767 ( -0.450 1.369 -14.818) 14.888 16.321 ( -7.944 -16.392 -15.881) 24.166 19.377 ( -1.400 -4.675 11.903) 12.865 19.441 ( 0.977 -1.070 12.425) 12.509 19.642 ( -3.204 -3.558 14.372) 15.148 19.716 ( -2.965 -5.250 9.938) 11.624 20.259 ( 2.344 6.211 -2.915) 7.251 20.493 ( -1.092 -1.182 1.034) 1.912 20.657 ( -21.421 18.058 -8.023) 29.144 22.167 ( 20.615 -0.734 -25.745) 32.989 22.187 ( -15.405 1.833 7.710) 17.324 22.569 ( -8.680 0.302 -2.361) 9.000 22.731 ( -3.974 -1.044 1.154) 4.267 22.912 ( 12.117 -1.822 -4.561) 13.075 23.387 ( 4.760 0.385 3.809) 6.109 23.448 ( 4.599 0.052 5.104) 6.871 23.870 ( 0.615 2.869 -5.609) 6.330 24.103 ( 0.183 -2.664 -6.922) 7.419 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 8.843 5.860 10.602) 14.998 1.472 ( 9.529 3.644 6.700) 12.205 1.793 ( 2.105 0.376 4.939) 5.382 1.872 ( 4.064 0.844 5.554) 6.933 2.017 ( 13.177 -1.229 7.024) 14.983 2.426 ( -0.172 6.291 1.643) 6.504 2.440 ( -2.310 -5.302 -1.354) 5.940 2.521 ( 9.805 -0.663 4.766) 10.922 2.620 ( 0.879 2.161 -0.462) 2.379 2.714 ( 4.108 0.015 -0.847) 4.194 2.840 ( -0.425 -0.049 2.127) 2.170 2.977 ( -3.957 -1.577 5.897) 7.275 3.221 ( -3.798 -5.935 2.157) 7.369 3.276 ( -9.007 5.310 0.151) 10.457 3.425 ( 2.524 2.621 -3.985) 5.397 3.546 ( -1.382 -1.968 -3.292) 4.077 3.670 ( -2.891 3.991 1.043) 5.037 3.779 ( 1.273 -2.586 -4.762) 5.567 3.819 ( 0.721 -3.840 -6.547) 7.625 3.973 ( -1.436 0.109 -3.948) 4.202 4.028 ( 1.158 5.404 0.528) 5.552 4.249 ( -3.384 3.068 -3.910) 6.013 4.414 ( -2.712 3.180 2.756) 5.007 4.488 ( 0.447 2.159 2.151) 3.080 4.623 ( 6.642 -4.412 -0.013) 7.974 4.719 ( 1.960 -0.700 1.285) 2.446 4.886 ( -8.824 -0.609 -6.751) 11.127 5.021 ( -0.677 -5.577 -3.172) 6.451 5.265 ( 7.302 0.573 1.472) 7.471 5.393 ( 6.441 4.664 -4.676) 9.225 5.785 ( -7.749 3.243 7.139) 11.024 5.915 ( 0.450 -3.028 3.549) 4.687 6.007 ( 1.148 -3.386 4.454) 5.712 6.166 ( -2.148 4.665 2.772) 5.836 6.238 ( 1.598 -3.053 0.460) 3.476 6.396 ( 3.263 -1.546 4.835) 6.034 6.494 ( -1.214 3.327 2.460) 4.313 6.905 ( 0.045 0.551 -4.261) 4.297 6.983 ( -2.367 -0.491 0.943) 2.595 7.062 ( -2.059 3.633 1.547) 4.453 7.378 ( 9.717 -8.293 -0.369) 12.780 7.477 ( 3.689 -0.919 1.578) 4.117 7.663 ( 7.027 0.872 -0.532) 7.100 7.689 ( -1.603 1.377 7.726) 8.009 7.927 ( -4.602 -6.475 0.271) 7.948 8.072 ( 1.683 2.261 0.820) 2.936 8.220 ( -5.618 -2.302 -6.281) 8.736 8.511 ( -9.957 8.487 -5.091) 14.039 8.826 ( 4.395 -8.606 2.876) 10.082 8.970 ( 2.476 -2.756 -3.388) 5.021 9.159 ( -0.871 4.247 7.062) 8.287 9.329 ( -5.950 6.094 -12.688) 15.281 9.405 ( 0.986 0.251 0.978) 1.411 9.556 ( -3.450 -7.728 12.284) 14.917 9.892 ( 0.880 -1.926 6.131) 6.486 10.169 ( -5.979 -2.201 -5.667) 8.527 10.311 ( 7.130 5.050 3.322) 9.347 10.491 ( 2.502 -0.074 -2.514) 3.547 10.554 ( 4.061 -1.622 -7.448) 8.637 10.717 ( 2.823 -0.906 -5.958) 6.655 10.773 ( -2.453 -2.254 0.131) 3.334 10.855 ( 8.717 3.846 -1.458) 9.638 11.033 ( -2.872 4.686 5.567) 7.823 11.367 ( -9.211 1.131 -7.417) 11.881 11.681 ( 0.260 -5.366 -2.689) 6.007 11.717 ( 1.623 -0.911 -6.432) 6.696 11.928 ( 1.931 3.281 6.121) 7.209 12.144 ( 5.644 -0.599 3.315) 6.573 12.243 ( -1.736 7.429 -16.759) 18.414 12.545 ( 7.880 -4.115 -12.310) 15.184 12.735 ( 11.077 3.526 -6.306) 13.225 12.776 ( -5.323 2.174 3.406) 6.683 13.037 ( -9.048 -1.460 6.848) 11.441 13.274 ( -3.168 -1.854 -11.900) 12.454 13.575 ( -9.577 -6.253 0.824) 11.467 13.967 ( -17.001 5.269 -5.748) 18.704 15.255 ( 11.382 -1.447 4.431) 12.299 15.327 ( 14.248 -1.562 0.266) 14.336 15.740 ( -2.641 0.709 -10.330) 10.686 16.117 ( -12.203 -10.275 -10.423) 19.056 19.348 ( -1.095 -2.596 11.613) 11.949 19.469 ( 1.819 -0.747 12.496) 12.650 19.542 ( -6.798 -4.306 11.199) 13.791 19.639 ( -4.118 -0.620 15.115) 15.678 20.184 ( -4.423 15.532 -1.826) 16.252 20.439 ( -5.934 -0.048 3.694) 6.990 20.618 ( 12.811 3.505 -6.111) 14.620 21.760 ( -21.990 -0.725 2.363) 22.129 22.420 ( -4.152 -1.160 -1.654) 4.618 22.570 ( 8.699 0.248 -10.600) 13.715 22.632 ( -0.092 -0.201 -2.834) 2.843 23.051 ( 1.756 -2.199 -9.001) 9.431 23.483 ( 4.416 0.177 3.112) 5.405 23.527 ( 2.968 0.078 3.854) 4.864 23.918 ( 4.123 2.382 -6.661) 8.188 24.100 ( -0.675 -2.117 -6.925) 7.273 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 12.147 -3.637 -0.195) 12.681 1.571 ( -0.401 -7.282 -2.249) 7.632 1.906 ( 4.362 8.359 0.300) 9.433 1.914 ( 1.991 10.317 -1.119) 10.566 2.204 ( 5.265 -7.009 0.669) 8.791 2.335 ( -6.219 -6.938 0.643) 9.339 2.467 ( 4.156 1.996 1.756) 4.933 2.568 ( -3.251 2.009 1.950) 4.291 2.723 ( 6.279 1.181 2.624) 6.907 2.767 ( -1.196 0.360 6.781) 6.895 2.833 ( 3.367 0.199 1.791) 3.818 2.935 ( 4.414 8.108 1.204) 9.310 3.064 ( -11.580 0.974 0.222) 11.623 3.087 ( -8.838 10.349 1.291) 13.671 3.523 ( 4.829 -1.549 -3.858) 6.372 3.565 ( 0.560 -4.293 -2.851) 5.184 3.687 ( 4.167 -0.662 0.622) 4.265 3.781 ( -3.563 -4.249 -1.330) 5.702 3.802 ( 1.263 -1.074 -8.123) 8.291 3.871 ( -4.887 -1.872 -5.644) 7.697 4.132 ( 4.469 1.318 -1.049) 4.776 4.224 ( -3.117 0.202 -2.272) 3.862 4.357 ( 3.568 5.833 -2.370) 7.237 4.478 ( -3.872 2.496 1.236) 4.770 4.664 ( 0.448 -5.119 1.987) 5.509 4.731 ( -6.101 0.428 -1.771) 6.368 4.837 ( 8.369 -1.985 0.955) 8.654 4.972 ( -4.764 -4.639 -0.665) 6.683 5.427 ( 8.610 3.858 3.847) 10.189 5.558 ( 3.168 3.325 -4.253) 6.259 5.647 ( 0.099 4.227 1.719) 4.564 5.830 ( -9.326 1.229 -9.638) 13.467 6.023 ( 2.582 -3.077 11.250) 11.946 6.100 ( -4.430 1.859 8.202) 9.506 6.294 ( 3.558 -4.867 -1.108) 6.130 6.365 ( -3.663 -4.180 -2.234) 5.990 6.624 ( 10.438 3.869 6.301) 12.792 6.812 ( -7.902 2.157 0.600) 8.213 7.003 ( 1.777 2.291 -0.498) 2.942 7.028 ( -1.175 3.356 -0.867) 3.659 7.536 ( 2.681 -1.597 3.927) 5.016 7.554 ( 4.325 -4.712 1.281) 6.523 7.648 ( 2.591 -8.657 4.582) 10.132 7.791 ( -8.190 -12.820 -0.067) 15.213 7.848 ( 9.868 0.121 -0.242) 9.872 8.045 ( -9.044 -5.139 -2.009) 10.594 8.192 ( 6.076 14.148 3.141) 15.715 8.335 ( -8.006 13.384 0.057) 15.596 8.904 ( 3.835 -5.390 -1.239) 6.730 8.968 ( -2.079 -4.223 -1.951) 5.095 9.153 ( 0.832 3.835 -1.485) 4.195 9.215 ( -5.045 5.660 -8.412) 11.325 9.441 ( 2.463 -3.096 5.627) 6.878 9.493 ( -2.842 -6.462 9.409) 11.763 9.947 ( 4.319 -2.861 1.273) 5.335 10.049 ( -5.842 -2.816 -3.162) 7.215 10.456 ( 6.442 2.072 2.460) 7.200 10.513 ( 0.330 -1.445 -1.943) 2.443 10.583 ( 0.600 -0.478 -4.849) 4.909 10.668 ( -6.389 2.096 -2.771) 7.273 10.862 ( 8.886 -0.284 -9.236) 12.820 10.986 ( -2.702 -0.362 3.150) 4.166 11.018 ( 7.033 6.108 0.025) 9.315 11.178 ( -9.455 5.019 -4.342) 11.551 11.693 ( 1.114 -6.832 -0.933) 6.985 11.719 ( -1.087 -5.345 -2.209) 5.885 12.000 ( 5.292 7.834 0.755) 9.484 12.124 ( -6.739 8.199 -4.171) 11.403 12.314 ( 9.083 1.517 0.850) 9.248 12.503 ( -9.019 -0.534 0.676) 9.060 12.796 ( 5.112 0.096 -7.177) 8.812 12.871 ( -2.283 -5.457 -2.708) 6.505 13.077 ( 13.925 -1.286 -11.790) 18.291 13.292 ( 0.949 -4.719 -5.265) 7.133 13.369 ( -5.151 -1.987 -8.709) 10.312 13.613 ( -18.243 5.255 -9.210) 21.101 15.479 ( 10.528 0.100 -0.128) 10.529 15.588 ( 10.891 -3.203 -1.147) 11.410 15.659 ( -4.020 0.657 -5.893) 7.164 15.863 ( -13.371 -5.448 -5.373) 15.405 19.349 ( 1.530 -0.839 10.867) 11.006 19.415 ( -5.180 -1.175 10.530) 11.794 19.512 ( 2.516 -0.259 13.146) 13.387 19.568 ( -3.176 0.187 14.521) 14.866 20.188 ( 4.015 8.403 -0.019) 9.313 20.306 ( -7.141 3.214 2.971) 8.375 20.938 ( 18.782 0.208 -2.928) 19.010 21.334 ( -21.237 -1.150 0.035) 21.269 22.396 ( 1.857 -2.100 0.730) 2.897 22.478 ( -5.934 -2.464 2.494) 6.893 22.842 ( 10.163 2.337 -12.639) 16.386 23.002 ( -5.949 0.524 -10.651) 12.211 23.548 ( 2.089 -0.223 3.145) 3.782 23.562 ( 0.601 -0.475 3.455) 3.539 24.006 ( 4.239 0.575 -7.401) 8.548 24.072 ( -2.356 -1.039 -7.201) 7.648 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 16.153 12.999) 20.734 1.522 ( 0.000 14.008 16.130) 21.363 1.677 ( 0.000 3.249 12.801) 13.207 1.683 ( 0.000 -6.218 19.018) 20.009 1.921 ( 0.000 -4.568 12.556) 13.361 2.051 ( 0.000 -6.678 1.667) 6.883 2.280 ( 0.000 2.391 8.401) 8.734 2.358 ( 0.000 -11.353 4.042) 12.051 2.538 ( 0.000 -0.418 4.892) 4.909 2.563 ( 0.000 -2.880 9.144) 9.586 2.894 ( 0.000 9.325 4.058) 10.169 3.029 ( 0.000 -4.771 -1.317) 4.950 3.084 ( 0.000 11.235 -3.541) 11.779 3.352 ( 0.000 -13.920 -3.323) 14.311 3.575 ( 0.000 0.030 -9.956) 9.956 3.584 ( 0.000 -1.273 -4.685) 4.855 3.744 ( 0.000 3.173 -2.423) 3.992 3.792 ( 0.000 -1.082 0.149) 1.092 3.961 ( 0.000 1.761 0.920) 1.987 4.017 ( 0.000 -1.887 3.004) 3.548 4.214 ( 0.000 7.163 11.030) 13.152 4.259 ( 0.000 4.046 -7.390) 8.425 4.424 ( 0.000 -1.717 9.209) 9.368 4.483 ( 0.000 -4.870 -3.194) 5.824 4.627 ( 0.000 4.402 -8.012) 9.141 4.662 ( 0.000 5.071 -5.973) 7.836 4.923 ( 0.000 -2.073 -4.970) 5.385 5.002 ( 0.000 -5.237 -2.757) 5.919 5.225 ( 0.000 8.939 6.859) 11.267 5.482 ( 0.000 -17.066 12.193) 20.974 5.520 ( 0.000 8.016 -4.715) 9.300 5.675 ( 0.000 -7.859 0.128) 7.860 6.137 ( 0.000 7.249 3.849) 8.208 6.268 ( 0.000 -3.951 3.881) 5.538 6.321 ( 0.000 2.957 7.879) 8.416 6.338 ( 0.000 3.321 -1.021) 3.474 6.629 ( 0.000 4.511 2.408) 5.113 6.787 ( 0.000 -11.604 6.112) 13.116 6.966 ( 0.000 6.875 -0.789) 6.920 7.103 ( 0.000 -8.178 -0.257) 8.182 7.306 ( 0.000 7.144 2.694) 7.635 7.426 ( 0.000 -3.261 3.139) 4.526 7.484 ( 0.000 9.829 -5.133) 11.088 7.625 ( 0.000 -5.955 -7.413) 9.508 8.126 ( 0.000 4.731 12.439) 13.309 8.141 ( 0.000 -2.782 -7.804) 8.285 8.227 ( 0.000 -1.140 -3.958) 4.119 8.389 ( 0.000 -12.568 8.767) 15.324 8.853 ( 0.000 7.154 -7.831) 10.607 8.922 ( 0.000 2.280 -11.113) 11.344 9.170 ( 0.000 -0.228 7.951) 7.954 9.266 ( 0.000 -8.303 -3.048) 8.845 9.473 ( 0.000 3.360 -1.566) 3.707 9.556 ( 0.000 -4.213 5.653) 7.050 10.154 ( 0.000 12.600 4.805) 13.485 10.251 ( 0.000 4.604 7.019) 8.394 10.309 ( 0.000 -0.132 0.107) 0.170 10.379 ( 0.000 -9.145 1.486) 9.265 10.498 ( 0.000 1.954 -0.105) 1.957 10.529 ( 0.000 0.759 0.159) 0.775 10.638 ( 0.000 -0.070 -5.917) 5.918 10.706 ( 0.000 -5.552 -4.008) 6.847 11.341 ( 0.000 8.864 -4.677) 10.022 11.489 ( 0.000 -7.088 -12.019) 13.953 11.687 ( 0.000 4.478 -2.990) 5.384 11.773 ( 0.000 -5.026 -0.991) 5.122 11.774 ( 0.000 4.939 -0.487) 4.963 11.907 ( 0.000 -8.388 -4.981) 9.755 12.229 ( 0.000 5.991 -8.064) 10.047 12.290 ( 0.000 -0.585 -5.791) 5.820 12.714 ( 0.000 5.558 -10.273) 11.680 12.820 ( 0.000 -6.085 -11.115) 12.671 13.428 ( 0.000 3.065 11.257) 11.667 13.489 ( 0.000 -3.382 15.492) 15.857 13.974 ( 0.000 17.642 -5.348) 18.435 14.285 ( 0.000 -14.254 -3.755) 14.740 14.833 ( 0.000 4.308 9.095) 10.064 14.928 ( 0.000 -5.542 8.597) 10.228 15.842 ( 0.000 6.629 -15.003) 16.402 16.048 ( 0.000 -15.749 -13.571) 20.790 19.341 ( 0.000 0.550 15.416) 15.426 19.387 ( 0.000 -3.277 15.642) 15.982 19.647 ( 0.000 0.122 11.167) 11.168 19.673 ( 0.000 -2.461 9.696) 10.003 20.309 ( 0.000 5.690 -2.933) 6.401 20.415 ( 0.000 -5.435 -0.783) 5.491 21.442 ( 0.000 14.430 -21.132) 25.588 21.639 ( 0.000 -7.100 -20.407) 21.607 22.570 ( 0.000 3.066 1.098) 3.257 22.620 ( 0.000 -2.175 0.363) 2.205 22.730 ( 0.000 1.342 -1.066) 1.714 22.751 ( 0.000 -0.706 -1.299) 1.479 23.345 ( 0.000 1.030 4.916) 5.023 23.368 ( 0.000 -1.357 5.919) 6.072 23.939 ( 0.000 4.526 -6.151) 7.637 24.028 ( 0.000 -4.615 -6.699) 8.135 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -8.426 10.242 17.596) 22.034 1.516 ( 1.143 12.335 8.555) 15.055 1.713 ( 5.029 -4.604 16.267) 17.638 1.759 ( 1.289 -8.352 9.552) 12.753 1.854 ( 5.789 8.510 3.966) 11.030 2.272 ( 11.893 0.137 14.370) 18.653 2.323 ( 4.358 -13.681 0.600) 14.371 2.446 ( 7.116 2.519 1.763) 7.752 2.517 ( 2.898 -2.207 2.641) 4.500 2.680 ( 4.933 1.775 6.893) 8.660 2.814 ( -3.256 1.461 3.136) 4.751 3.054 ( -3.259 7.470 -0.051) 8.150 3.122 ( 5.437 -1.665 0.065) 5.686 3.333 ( -1.389 -7.776 -3.386) 8.594 3.550 ( -1.835 3.016 -6.634) 7.515 3.600 ( -2.336 -3.630 -6.557) 7.850 3.645 ( -7.103 -2.673 -4.651) 8.901 3.732 ( -1.465 -1.187 -0.089) 1.887 3.897 ( 0.956 4.759 1.645) 5.125 4.108 ( -3.696 6.017 1.887) 7.309 4.220 ( -5.482 9.655 -2.079) 11.295 4.257 ( 8.831 -2.507 -1.490) 9.300 4.424 ( -0.521 -6.886 6.472) 9.464 4.460 ( -4.943 0.285 0.703) 5.000 4.577 ( 1.368 -0.887 -2.838) 3.273 4.691 ( -0.610 3.627 -5.706) 6.788 4.876 ( -2.237 -5.085 -5.442) 7.777 5.009 ( -0.933 -1.118 -2.928) 3.270 5.225 ( 1.203 5.403 5.745) 7.977 5.444 ( 1.578 2.441 4.580) 5.425 5.668 ( 8.034 -5.075 3.713) 10.203 5.749 ( 6.330 -6.929 -0.958) 9.434 6.090 ( -4.360 6.427 5.287) 9.395 6.222 ( -3.856 -4.623 1.108) 6.121 6.272 ( -1.759 2.970 4.002) 5.285 6.374 ( 0.686 2.615 4.920) 5.614 6.623 ( -1.024 6.251 2.422) 6.781 6.806 ( 1.273 -10.920 4.448) 11.859 6.976 ( 1.129 2.345 -0.839) 2.735 7.034 ( -2.426 -3.483 1.491) 4.499 7.347 ( 2.578 2.618 -1.146) 3.849 7.462 ( -1.426 8.140 -3.680) 9.047 7.561 ( 9.683 2.467 2.025) 10.195 7.653 ( 2.777 -5.905 -4.153) 7.735 7.965 ( -11.644 -5.313 -2.912) 13.126 8.068 ( -5.048 -0.114 8.342) 9.751 8.284 ( 2.829 4.860 -1.475) 5.814 8.458 ( 4.748 -12.002 2.453) 13.138 8.855 ( -4.146 1.566 -10.805) 11.678 8.915 ( 3.296 7.230 -0.338) 7.953 9.180 ( 1.101 0.038 10.384) 10.442 9.313 ( 2.897 -8.637 -4.392) 10.113 9.437 ( -3.492 2.387 -6.311) 7.598 9.551 ( -0.359 -2.061 6.201) 6.544 10.044 ( -9.324 7.982 3.353) 12.723 10.224 ( -2.909 -0.605 2.487) 3.875 10.315 ( 0.958 0.793 5.540) 5.678 10.415 ( 4.387 1.666 -6.853) 8.306 10.484 ( 3.088 -2.038 3.053) 4.797 10.617 ( -1.213 -3.210 -5.018) 6.079 10.694 ( 7.828 2.038 -2.863) 8.580 10.744 ( 4.712 -2.722 -1.896) 5.762 11.266 ( -5.755 7.804 -2.953) 10.136 11.442 ( -5.417 -6.655 -9.151) 12.545 11.639 ( -1.956 -0.590 -3.326) 3.903 11.744 ( 0.188 4.263 -6.738) 7.976 11.892 ( 5.108 0.298 6.828) 8.532 11.963 ( 5.614 -5.886 -1.720) 8.314 12.307 ( 6.259 4.368 -11.508) 13.810 12.347 ( 6.101 0.126 -11.620) 13.125 12.691 ( -0.836 2.038 -10.995) 11.214 12.849 ( 2.127 -1.209 -7.309) 7.708 13.210 ( -13.672 -1.404 15.193) 20.487 13.557 ( -5.342 3.289 1.163) 6.381 13.649 ( -18.042 0.506 6.289) 19.113 14.281 ( -6.828 -0.104 -6.148) 9.189 14.993 ( 12.804 0.030 6.187) 14.220 15.026 ( 10.292 -3.005 6.517) 12.546 15.820 ( -2.068 4.409 -12.859) 13.751 16.025 ( -2.637 -12.303 -12.950) 18.057 19.331 ( -0.707 -0.029 15.344) 15.361 19.404 ( 1.552 -2.376 14.622) 14.895 19.593 ( -4.310 -1.104 9.240) 10.256 19.671 ( -1.034 -0.924 12.318) 12.396 20.353 ( 3.631 4.457 -0.843) 5.810 20.437 ( 2.163 -3.787 -0.630) 4.406 20.935 ( -24.550 8.367 -15.850) 30.396 22.151 ( 12.964 -0.647 -25.392) 28.517 22.222 ( -7.961 1.276 6.128) 10.127 22.579 ( -9.644 0.613 -1.987) 9.865 22.702 ( -4.700 -1.485 1.312) 5.101 22.886 ( 9.871 -0.645 -1.917) 10.076 23.393 ( 4.547 0.190 4.545) 6.431 23.447 ( 5.484 -0.078 3.485) 6.498 23.942 ( 0.686 4.365 -6.299) 7.694 24.036 ( 0.636 -4.204 -6.523) 7.786 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.143 3.110 8.977) 9.501 1.501 ( -2.238 -0.170 1.916) 2.951 1.819 ( 8.319 0.877 6.900) 10.844 1.859 ( 8.872 -0.971 10.638) 13.886 2.119 ( 14.476 10.649 0.272) 17.973 2.317 ( -0.893 -4.578 4.338) 6.370 2.504 ( 6.996 -9.802 -0.311) 12.046 2.544 ( 2.809 1.113 -1.963) 3.603 2.571 ( -0.652 5.559 3.423) 6.561 2.751 ( 4.030 1.291 4.955) 6.516 2.827 ( 3.855 -2.005 3.939) 5.865 2.949 ( -7.003 0.047 5.963) 9.198 3.183 ( 0.312 1.605 0.501) 1.710 3.306 ( -1.721 -2.075 -2.750) 3.850 3.462 ( -1.911 0.374 -3.775) 4.248 3.554 ( 1.245 2.796 -6.375) 7.072 3.657 ( 1.816 -3.153 -3.548) 5.082 3.737 ( 0.883 -1.107 -2.338) 2.733 3.843 ( -4.958 3.339 -5.384) 8.045 4.022 ( -13.730 2.993 -11.077) 17.894 4.143 ( 5.646 6.215 0.579) 8.417 4.234 ( -4.838 -0.190 1.137) 4.974 4.420 ( -1.930 -6.059 7.313) 9.691 4.479 ( 1.452 -5.344 1.540) 5.748 4.588 ( 1.857 5.077 0.473) 5.427 4.690 ( 1.862 -2.580 -1.154) 3.385 4.845 ( -1.796 -2.945 -4.383) 5.577 4.957 ( -3.980 0.543 -4.101) 5.741 5.323 ( 8.800 2.846 1.631) 9.392 5.523 ( 5.776 7.429 4.837) 10.580 5.780 ( 3.459 -4.228 4.244) 6.918 5.842 ( 0.644 -2.756 -1.725) 3.314 5.998 ( -4.440 2.488 7.577) 9.128 6.153 ( -1.522 -4.496 0.511) 4.774 6.251 ( -1.502 3.316 3.152) 4.815 6.354 ( -3.516 -2.989 -0.307) 4.625 6.606 ( 1.510 8.099 5.163) 9.722 6.855 ( 3.873 -6.879 2.556) 8.298 6.944 ( -1.965 0.125 -2.732) 3.367 7.112 ( 6.440 -2.161 7.188) 9.890 7.365 ( -0.712 8.313 -4.190) 9.336 7.470 ( 2.389 -0.134 -1.004) 2.595 7.659 ( -0.255 -5.393 -4.243) 6.867 7.720 ( -1.479 0.426 8.914) 9.046 7.763 ( -4.306 -2.748 -3.846) 6.394 7.997 ( -1.556 -6.248 -0.391) 6.451 8.344 ( 3.985 11.208 2.154) 12.089 8.540 ( 3.120 -7.766 -0.950) 8.423 8.772 ( -2.540 2.375 -1.345) 3.728 8.959 ( -0.027 1.409 2.565) 2.927 9.188 ( -0.838 1.840 12.455) 12.618 9.320 ( -3.832 -8.658 4.121) 10.326 9.382 ( 0.461 -0.134 -15.084) 15.092 9.525 ( -3.068 2.933 -3.996) 5.829 9.900 ( -3.781 2.603 4.731) 6.592 10.105 ( -6.845 -3.909 1.983) 8.128 10.403 ( 5.740 3.540 3.703) 7.693 10.512 ( 0.180 -0.722 -3.619) 3.695 10.534 ( 3.873 2.926 -8.201) 9.529 10.641 ( 6.028 -5.407 -5.284) 9.670 10.750 ( 0.365 -0.484 -2.737) 2.803 10.913 ( 8.763 1.424 1.364) 8.983 11.165 ( -3.869 8.431 -0.677) 9.301 11.321 ( -5.953 -6.038 -6.115) 10.454 11.617 ( -0.824 -1.341 -1.253) 2.011 11.711 ( -3.585 0.000 -6.117) 7.090 12.004 ( 6.544 4.979 7.054) 10.834 12.099 ( 7.697 -4.171 2.781) 9.186 12.385 ( 1.481 5.914 -16.673) 17.753 12.488 ( 4.420 -2.111 -17.138) 17.824 12.749 ( 7.611 -0.178 -10.630) 13.075 12.872 ( -2.698 6.149 5.462) 8.656 12.980 ( -6.831 -4.752 7.261) 11.044 13.214 ( -12.589 -3.108 -2.514) 13.209 13.509 ( -8.041 -0.995 0.142) 8.103 14.040 ( -16.373 2.100 -8.012) 18.349 15.229 ( 12.934 -0.922 4.906) 13.863 15.298 ( 13.704 -1.112 1.261) 13.807 15.766 ( -3.541 1.880 -8.762) 9.636 15.933 ( -6.807 -7.103 -10.105) 14.103 19.323 ( 0.081 -0.134 13.692) 13.692 19.442 ( 2.019 -1.533 13.507) 13.743 19.499 ( -4.695 -0.775 9.293) 10.441 19.632 ( -2.804 -0.167 14.483) 14.753 20.381 ( -1.725 4.430 1.769) 5.072 20.442 ( -4.854 0.461 -1.554) 5.117 20.705 ( 4.848 4.128 -10.084) 11.926 21.742 ( -23.253 -0.867 1.737) 23.333 22.408 ( -5.503 -0.085 -1.078) 5.608 22.566 ( -5.179 -0.471 1.257) 5.350 22.628 ( 14.729 -0.178 -15.472) 21.362 23.016 ( 3.085 -1.110 -6.036) 6.869 23.486 ( 4.185 0.122 3.241) 5.295 23.528 ( 2.501 0.014 3.133) 4.009 23.974 ( 2.436 3.327 -6.634) 7.811 24.047 ( 0.431 -3.216 -6.478) 7.245 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 5.881 -2.332 0.738) 6.370 1.460 ( -2.645 -3.556 -2.007) 4.865 2.028 ( 11.339 1.587 4.048) 12.144 2.037 ( 9.270 2.193 3.265) 10.070 2.205 ( -5.940 6.916 -5.967) 10.896 2.234 ( -7.885 -2.671 4.525) 9.475 2.537 ( 2.204 2.066 0.465) 3.056 2.585 ( 0.555 3.197 2.727) 4.238 2.709 ( -1.671 -5.138 3.124) 6.242 2.767 ( 0.950 -0.247 4.827) 4.926 2.798 ( 9.712 -2.033 1.044) 9.978 2.996 ( 4.315 0.704 2.630) 5.102 3.153 ( -2.467 6.414 -0.395) 6.884 3.223 ( -7.289 1.216 -2.722) 7.875 3.503 ( 3.652 -0.087 -3.290) 4.916 3.568 ( -1.771 3.367 -6.092) 7.182 3.658 ( 0.204 0.256 -2.370) 2.392 3.729 ( -3.833 -2.294 -2.921) 5.337 3.782 ( -0.283 -0.325 -8.758) 8.768 3.817 ( -3.528 -4.210 -7.489) 9.288 4.187 ( 2.275 3.909 1.428) 4.743 4.258 ( 0.855 4.125 0.116) 4.214 4.355 ( -1.508 -3.540 5.247) 6.507 4.420 ( -4.485 -8.153 1.179) 9.380 4.674 ( 5.432 5.290 -1.221) 7.680 4.772 ( 4.780 -4.554 0.797) 6.650 4.781 ( -4.275 2.974 -3.374) 6.205 4.870 ( -4.569 -3.739 -2.815) 6.540 5.527 ( 10.611 3.531 0.753) 11.209 5.655 ( 5.919 5.592 1.792) 8.338 5.727 ( -5.808 3.966 8.545) 11.067 5.824 ( -5.760 -1.281 1.653) 6.127 5.962 ( 5.602 -2.883 1.620) 6.505 6.141 ( -9.744 1.535 -2.688) 10.224 6.193 ( 3.957 -3.985 1.581) 5.834 6.269 ( -3.714 -4.579 0.551) 5.922 6.706 ( 7.084 3.625 3.023) 8.512 6.834 ( -5.228 0.083 -1.653) 5.484 7.026 ( 8.354 2.283 5.863) 10.459 7.160 ( -3.354 6.233 8.393) 10.979 7.393 ( 4.826 -4.850 -3.067) 7.498 7.503 ( -2.914 -8.665 -2.244) 9.413 7.568 ( -1.194 -3.706 4.080) 5.640 7.632 ( -4.606 2.437 4.449) 6.852 7.824 ( 5.796 -2.170 -5.621) 8.360 7.943 ( -5.081 -4.086 -5.201) 8.340 8.449 ( 6.103 12.021 4.325) 14.158 8.546 ( -2.843 5.650 0.882) 6.387 8.801 ( 5.030 -4.222 4.551) 7.989 8.908 ( -4.696 -2.461 4.014) 6.650 9.170 ( 0.181 -0.646 8.422) 8.449 9.223 ( -4.755 -4.033 6.257) 8.832 9.413 ( 1.698 -0.388 -13.604) 13.715 9.453 ( -2.991 2.405 -13.516) 14.051 9.898 ( 2.687 -1.425 5.718) 6.476 9.982 ( -5.513 -3.277 3.843) 7.477 10.491 ( 1.930 1.155 0.058) 2.250 10.505 ( -0.363 0.175 -4.223) 4.243 10.588 ( 4.610 0.563 -5.661) 7.323 10.694 ( -4.521 0.723 -2.716) 5.323 10.839 ( 10.013 -1.118 -6.979) 12.256 10.992 ( -3.432 0.385 0.901) 3.569 11.148 ( 3.352 6.285 -2.291) 7.482 11.227 ( -3.804 -0.670 -0.491) 3.894 11.602 ( -0.142 -2.124 -1.015) 2.358 11.634 ( -3.327 -3.119 -3.086) 5.506 12.143 ( 7.190 6.727 5.967) 11.513 12.223 ( 2.172 0.209 8.384) 8.663 12.383 ( 1.266 5.939 -17.063) 18.111 12.480 ( -4.777 -2.113 -12.780) 13.806 12.759 ( -2.644 -4.906 4.758) 7.328 12.796 ( -5.714 -0.069 1.348) 5.871 13.022 ( 12.071 -3.082 -11.147) 16.717 13.230 ( -0.970 -1.110 -3.494) 3.792 13.362 ( 3.908 0.096 -11.282) 11.940 13.679 ( -19.446 1.757 -10.138) 22.000 15.485 ( 11.936 0.553 0.325) 11.953 15.531 ( 10.071 -2.274 -0.545) 10.339 15.676 ( -5.504 1.214 -5.291) 7.731 15.761 ( -10.362 -4.155 -5.434) 12.416 19.342 ( 1.911 -0.037 11.363) 11.522 19.400 ( -3.917 -0.436 9.686) 10.457 19.504 ( 3.031 -0.432 14.325) 14.649 19.569 ( -3.425 -0.023 15.058) 15.442 20.331 ( -0.841 5.011 -1.916) 5.430 20.361 ( -3.162 1.734 1.574) 3.935 20.945 ( 16.356 0.362 -4.003) 16.843 21.309 ( -20.551 -1.055 -0.217) 20.579 22.363 ( 0.998 -1.052 1.050) 1.790 22.435 ( -5.847 -1.528 2.817) 6.668 22.880 ( 9.552 1.294 -13.628) 16.692 23.009 ( -3.621 0.201 -9.983) 10.622 23.544 ( 1.660 -0.147 3.319) 3.714 23.555 ( 0.430 -0.254 3.584) 3.619 24.022 ( 2.039 1.062 -6.836) 7.212 24.048 ( -0.565 -1.359 -6.712) 6.871 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 0.000 17.326) 17.326 1.668 ( 0.000 0.000 18.422) 18.422 1.828 ( 0.000 0.000 5.608) 5.608 2.115 ( 0.000 0.000 13.487) 13.487 2.164 ( 0.000 0.000 0.576) 0.576 2.372 ( 0.000 0.000 14.193) 14.193 2.404 ( 0.000 0.000 10.467) 10.467 2.434 ( 0.000 0.000 -5.305) 5.305 2.666 ( 0.000 0.000 0.997) 0.997 2.675 ( 0.000 0.000 2.286) 2.286 2.742 ( 0.000 0.000 0.455) 0.455 2.972 ( 0.000 0.000 -8.785) 8.785 3.212 ( 0.000 0.000 6.362) 6.362 3.278 ( 0.000 0.000 -2.364) 2.364 3.514 ( 0.000 0.000 -10.433) 10.433 3.531 ( 0.000 0.000 -11.387) 11.387 3.804 ( 0.000 0.000 11.787) 11.787 3.921 ( 0.000 0.000 7.619) 7.619 4.017 ( 0.000 0.000 7.100) 7.100 4.032 ( 0.000 0.000 -2.881) 2.881 4.106 ( 0.000 0.000 -4.369) 4.369 4.300 ( 0.000 0.000 -6.911) 6.911 4.336 ( 0.000 0.000 1.960) 1.960 4.368 ( 0.000 0.000 11.802) 11.802 4.457 ( 0.000 0.000 -4.646) 4.646 4.493 ( 0.000 0.000 6.735) 6.735 4.886 ( 0.000 0.000 -11.681) 11.681 4.917 ( 0.000 0.000 -9.988) 9.988 5.157 ( 0.000 0.000 -4.424) 4.424 5.166 ( 0.000 0.000 -5.731) 5.731 5.975 ( 0.000 0.000 6.321) 6.321 5.997 ( 0.000 0.000 -3.360) 3.360 6.065 ( 0.000 0.000 -0.210) 0.210 6.168 ( 0.000 0.000 0.103) 0.103 6.459 ( 0.000 0.000 8.041) 8.041 6.496 ( 0.000 0.000 1.062) 1.062 6.549 ( 0.000 0.000 15.145) 15.145 6.853 ( 0.000 0.000 3.299) 3.299 7.116 ( 0.000 0.000 0.753) 0.753 7.148 ( 0.000 0.000 -2.524) 2.524 7.188 ( 0.000 0.000 -0.978) 0.978 7.351 ( 0.000 0.000 -6.507) 6.507 7.507 ( 0.000 0.000 13.296) 13.296 7.815 ( 0.000 0.000 1.183) 1.183 7.885 ( 0.000 0.000 -0.297) 0.297 8.024 ( 0.000 0.000 -7.881) 7.881 8.265 ( 0.000 0.000 -17.858) 17.858 8.357 ( 0.000 0.000 -12.134) 12.134 8.716 ( 0.000 0.000 10.695) 10.695 8.980 ( 0.000 0.000 0.600) 0.600 9.147 ( 0.000 0.000 -4.441) 4.441 9.274 ( 0.000 0.000 -8.385) 8.385 9.640 ( 0.000 0.000 15.012) 15.012 9.889 ( 0.000 0.000 6.103) 6.103 10.051 ( 0.000 0.000 -1.512) 1.512 10.153 ( 0.000 0.000 2.762) 2.762 10.207 ( 0.000 0.000 -11.465) 11.465 10.265 ( 0.000 0.000 -3.449) 3.449 10.427 ( 0.000 0.000 14.292) 14.292 10.685 ( 0.000 0.000 3.220) 3.220 10.826 ( 0.000 0.000 7.671) 7.671 11.017 ( 0.000 0.000 4.423) 4.423 11.108 ( 0.000 0.000 3.888) 3.888 11.286 ( 0.000 0.000 -12.769) 12.769 11.426 ( 0.000 0.000 -10.677) 10.677 11.482 ( 0.000 0.000 -13.814) 13.814 11.794 ( 0.000 0.000 -5.313) 5.313 11.886 ( 0.000 0.000 -11.893) 11.893 12.203 ( 0.000 0.000 16.595) 16.595 12.375 ( 0.000 0.000 3.822) 3.822 12.438 ( 0.000 0.000 -1.769) 1.769 12.877 ( 0.000 0.000 -19.820) 19.820 13.113 ( 0.000 0.000 6.639) 6.639 13.532 ( 0.000 0.000 -5.305) 5.305 13.911 ( 0.000 0.000 14.502) 14.502 14.393 ( 0.000 0.000 -8.572) 8.572 14.973 ( 0.000 0.000 10.077) 10.077 15.302 ( 0.000 0.000 13.502) 13.502 15.418 ( 0.000 0.000 -13.639) 13.639 16.092 ( 0.000 0.000 -23.853) 23.853 19.623 ( 0.000 0.000 6.125) 6.125 19.650 ( 0.000 0.000 8.930) 8.930 19.795 ( 0.000 0.000 -2.750) 2.750 20.001 ( 0.000 0.000 -8.194) 8.194 20.185 ( 0.000 0.000 25.776) 25.776 20.615 ( 0.000 0.000 2.480) 2.480 20.727 ( 0.000 0.000 -2.563) 2.563 21.302 ( 0.000 0.000 -24.068) 24.068 22.551 ( 0.000 0.000 3.664) 3.664 22.652 ( 0.000 0.000 -1.056) 1.056 22.655 ( 0.000 0.000 -1.234) 1.234 22.703 ( 0.000 0.000 -2.934) 2.934 23.436 ( 0.000 0.000 6.032) 6.032 23.574 ( 0.000 0.000 8.779) 8.779 23.719 ( 0.000 0.000 -6.681) 6.681 23.958 ( 0.000 0.000 -8.783) 8.783 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.623 0.000 14.823) 15.527 1.560 ( -8.013 0.000 19.456) 21.042 1.912 ( 6.085 0.000 7.724) 9.833 2.099 ( -0.535 0.000 10.341) 10.355 2.132 ( -3.453 0.000 7.384) 8.152 2.343 ( -4.147 0.000 -3.792) 5.619 2.447 ( 5.481 0.000 7.261) 9.098 2.478 ( 2.961 0.000 1.098) 3.158 2.586 ( -3.300 0.000 2.017) 3.868 2.638 ( -1.394 0.000 -0.520) 1.487 2.838 ( 4.535 0.000 1.382) 4.741 3.059 ( 7.025 0.000 -9.258) 11.621 3.189 ( -1.004 0.000 5.773) 5.860 3.367 ( 6.987 0.000 -0.535) 7.007 3.408 ( -5.478 0.000 -4.960) 7.390 3.617 ( 2.821 0.000 -12.653) 12.964 3.709 ( -9.034 0.000 4.869) 10.263 3.765 ( -13.098 0.000 2.296) 13.298 3.884 ( -3.563 0.000 3.564) 5.040 3.993 ( -8.308 0.000 4.407) 9.404 4.074 ( -4.931 0.000 -1.031) 5.037 4.257 ( -4.829 0.000 2.988) 5.678 4.345 ( 12.497 0.000 1.124) 12.548 4.492 ( 4.169 0.000 -1.606) 4.467 4.527 ( 0.117 0.000 4.063) 4.065 4.615 ( 11.027 0.000 1.745) 11.164 4.854 ( -5.849 0.000 -8.989) 10.724 4.915 ( 2.825 0.000 -9.984) 10.376 5.171 ( 2.344 0.000 -2.819) 3.666 5.184 ( 1.616 0.000 -4.083) 4.391 5.908 ( -5.850 0.000 -1.538) 6.049 6.000 ( -6.116 0.000 0.129) 6.117 6.056 ( 4.996 0.000 3.071) 5.865 6.200 ( 2.821 0.000 -0.221) 2.829 6.434 ( -2.338 0.000 6.274) 6.696 6.495 ( -0.472 0.000 1.003) 1.109 6.584 ( 2.901 0.000 15.540) 15.808 6.811 ( -2.864 0.000 0.564) 2.919 7.048 ( -8.089 0.000 -2.165) 8.374 7.049 ( -3.634 0.000 -4.749) 5.980 7.312 ( 12.043 0.000 3.466) 12.532 7.508 ( 8.656 0.000 -0.260) 8.660 7.556 ( 5.884 0.000 10.162) 11.742 7.821 ( 0.787 0.000 1.843) 2.004 7.877 ( -0.446 0.000 0.899) 1.003 8.017 ( -0.473 0.000 -7.668) 7.682 8.163 ( -5.253 0.000 -8.170) 9.713 8.438 ( 1.037 0.000 -17.640) 17.670 8.730 ( 2.975 0.000 5.408) 6.172 8.968 ( -1.115 0.000 -0.000) 1.115 9.107 ( -4.358 0.000 -5.807) 7.260 9.189 ( -7.957 0.000 -8.362) 11.543 9.665 ( 2.532 0.000 15.432) 15.639 9.893 ( 0.425 0.000 7.584) 7.596 9.976 ( -4.311 0.000 -1.749) 4.653 10.175 ( 2.643 0.000 0.324) 2.663 10.235 ( -2.514 0.000 -0.519) 2.567 10.304 ( 6.218 0.000 -12.117) 13.619 10.452 ( 2.191 0.000 12.706) 12.894 10.695 ( 1.738 0.000 2.663) 3.180 10.789 ( -3.853 0.000 5.714) 6.891 10.974 ( -4.351 0.000 3.833) 5.799 11.127 ( 1.553 0.000 4.296) 4.568 11.239 ( -4.903 0.000 -12.675) 13.590 11.483 ( 5.435 0.000 -9.441) 10.894 11.499 ( 2.832 0.000 -9.791) 10.192 11.874 ( -1.065 0.000 -11.789) 11.837 11.893 ( 6.994 0.000 -7.733) 10.426 12.224 ( 2.606 0.000 17.493) 17.686 12.386 ( 2.365 0.000 2.263) 3.274 12.454 ( 1.721 0.000 -2.859) 3.337 12.898 ( 2.119 0.000 -18.158) 18.281 13.047 ( -6.328 0.000 7.538) 9.842 13.436 ( -8.881 0.000 -0.698) 8.908 13.820 ( -9.376 0.000 6.753) 11.555 14.184 ( -17.639 0.000 -6.500) 18.798 15.131 ( 12.323 0.000 6.341) 13.859 15.317 ( 2.528 0.000 10.728) 11.022 15.479 ( 4.668 0.000 -9.395) 10.491 16.050 ( -4.192 0.000 -21.125) 21.537 19.592 ( -2.426 0.000 5.917) 6.395 19.651 ( 0.349 0.000 6.977) 6.985 19.847 ( 5.030 0.000 0.283) 5.038 20.079 ( 4.279 0.000 -5.400) 6.890 20.090 ( -7.844 0.000 18.258) 19.872 20.392 ( -18.468 0.000 -0.518) 18.475 20.656 ( 1.926 0.000 9.559) 9.751 21.602 ( 15.908 0.000 -28.259) 32.428 22.309 ( -11.573 0.000 5.875) 12.979 22.503 ( -8.450 0.000 -3.446) 9.126 22.761 ( -0.001 0.000 0.916) 0.916 22.837 ( 7.714 0.000 -3.326) 8.401 23.473 ( 3.519 0.000 5.011) 6.124 23.598 ( 2.125 0.000 8.008) 8.285 23.720 ( 0.635 0.000 -6.166) 6.199 23.962 ( 0.271 0.000 -8.558) 8.562 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -1.465 0.000 15.856) 15.923 1.608 ( 2.821 0.000 6.588) 7.167 1.932 ( -5.271 0.000 7.239) 8.954 2.039 ( -6.614 0.000 11.993) 13.696 2.188 ( 9.536 0.000 5.465) 10.990 2.285 ( 0.388 0.000 -7.448) 7.458 2.472 ( -1.284 0.000 -2.195) 2.543 2.554 ( 5.148 0.000 -0.501) 5.173 2.615 ( -1.602 0.000 -2.649) 3.095 2.650 ( 7.670 0.000 1.366) 7.791 2.891 ( 1.427 0.000 5.485) 5.667 3.135 ( -5.634 0.000 4.856) 7.438 3.209 ( 4.126 0.000 -6.702) 7.870 3.252 ( -8.252 0.000 -1.279) 8.350 3.426 ( -10.813 0.000 6.830) 12.789 3.569 ( -1.251 0.000 -1.196) 1.731 3.575 ( 6.520 0.000 -1.273) 6.643 3.685 ( -0.213 0.000 -6.490) 6.493 3.811 ( -2.575 0.000 -3.702) 4.510 3.897 ( -0.193 0.000 -5.756) 5.759 4.023 ( -1.227 0.000 5.942) 6.068 4.170 ( -3.766 0.000 0.938) 3.881 4.394 ( -8.690 0.000 3.626) 9.417 4.557 ( -1.190 0.000 0.601) 1.333 4.630 ( 12.166 0.000 -0.149) 12.167 4.712 ( -2.402 0.000 -8.008) 8.361 4.795 ( 3.972 0.000 3.083) 5.028 4.978 ( 2.651 0.000 -6.265) 6.803 5.232 ( 3.810 0.000 -2.332) 4.468 5.266 ( 7.098 0.000 -1.212) 7.201 5.762 ( -8.963 0.000 -4.275) 9.931 5.842 ( -9.656 0.000 0.677) 9.679 6.160 ( 4.927 0.000 3.201) 5.875 6.263 ( 3.200 0.000 -1.132) 3.395 6.387 ( -2.136 0.000 6.336) 6.686 6.458 ( -3.425 0.000 0.839) 3.526 6.640 ( 2.842 0.000 12.014) 12.345 6.783 ( 0.511 0.000 -3.464) 3.502 6.923 ( -5.018 0.000 -1.535) 5.248 6.976 ( -3.740 0.000 -5.633) 6.762 7.575 ( 13.969 0.000 4.360) 14.633 7.628 ( 5.276 0.000 9.231) 10.632 7.710 ( 6.088 0.000 5.254) 8.042 7.863 ( 4.480 0.000 3.233) 5.525 7.887 ( 1.794 0.000 2.397) 2.994 8.021 ( 1.245 0.000 -7.096) 7.205 8.083 ( -3.355 0.000 -2.212) 4.019 8.343 ( -9.169 0.000 -7.609) 11.915 8.831 ( 5.489 0.000 -9.277) 10.779 8.944 ( -1.138 0.000 -3.288) 3.479 8.975 ( -8.591 0.000 -10.797) 13.797 9.003 ( -9.887 0.000 -4.150) 10.722 9.730 ( 3.768 0.000 14.566) 15.046 9.897 ( -0.475 0.000 10.509) 10.520 9.932 ( 0.105 0.000 0.163) 0.194 10.171 ( -3.965 0.000 1.798) 4.354 10.280 ( 8.405 0.000 -2.772) 8.851 10.402 ( 3.721 0.000 -8.587) 9.359 10.508 ( 3.803 0.000 7.273) 8.207 10.682 ( -6.434 0.000 2.213) 6.804 10.780 ( 6.735 0.000 -1.900) 6.998 10.853 ( -7.614 0.000 3.603) 8.424 11.093 ( -9.969 0.000 -12.200) 15.755 11.144 ( -0.593 0.000 1.849) 1.941 11.598 ( 6.666 0.000 -6.084) 9.026 11.615 ( 7.271 0.000 -6.417) 9.698 11.849 ( -1.411 0.000 -10.017) 10.116 11.942 ( -2.341 0.000 -2.213) 3.221 12.339 ( 8.199 0.000 14.827) 16.943 12.516 ( 5.086 0.000 -4.167) 6.575 12.529 ( 13.317 0.000 -3.778) 13.843 12.887 ( -9.357 0.000 9.155) 13.091 12.956 ( 3.467 0.000 -13.609) 14.044 13.226 ( -11.577 0.000 3.938) 12.228 13.565 ( -15.302 0.000 -4.449) 15.936 13.784 ( -22.287 0.000 -7.010) 23.364 15.376 ( 12.016 0.000 2.754) 12.327 15.404 ( 5.757 0.000 7.890) 9.767 15.558 ( 2.767 0.000 -5.480) 6.139 15.937 ( -7.038 0.000 -14.513) 16.129 19.553 ( -1.172 0.000 6.929) 7.027 19.671 ( 1.777 0.000 5.157) 5.454 19.886 ( -15.402 0.000 7.894) 17.307 19.932 ( -7.464 0.000 10.057) 12.524 19.985 ( 8.921 0.000 5.564) 10.514 20.438 ( 15.233 0.000 -9.234) 17.813 20.623 ( -5.921 0.000 14.662) 15.812 21.598 ( -15.147 0.000 -20.092) 25.162 22.321 ( 11.417 0.000 -3.429) 11.921 22.395 ( -1.782 0.000 -2.382) 2.975 22.697 ( -5.816 0.000 3.140) 6.610 22.893 ( -2.004 0.000 -7.001) 7.282 23.555 ( 4.315 0.000 4.028) 5.903 23.640 ( 1.766 0.000 6.424) 6.662 23.763 ( 3.766 0.000 -5.768) 6.888 23.959 ( -0.837 0.000 -8.020) 8.063 ======================= Grid point 108 (40/60) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 9.444 0.000 6.260) 11.331 1.675 ( 5.674 0.000 -0.249) 5.680 1.757 ( -11.577 0.000 2.710) 11.890 1.849 ( -11.131 0.000 0.228) 11.134 2.367 ( 7.070 0.000 3.371) 7.832 2.401 ( 9.084 0.000 3.402) 9.700 2.448 ( -1.767 0.000 -1.132) 2.099 2.551 ( -5.321 0.000 0.066) 5.321 2.694 ( 9.523 0.000 -2.259) 9.788 2.806 ( 7.368 0.000 -3.644) 8.219 2.918 ( -1.008 0.000 6.185) 6.267 2.942 ( -15.212 0.000 0.665) 15.227 3.014 ( -0.921 0.000 7.819) 7.873 3.177 ( -12.253 0.000 7.901) 14.580 3.406 ( 8.965 0.000 -7.858) 11.921 3.547 ( -4.720 0.000 -5.814) 7.489 3.703 ( 4.581 0.000 -1.205) 4.737 3.744 ( 7.921 0.000 1.220) 8.014 3.787 ( -1.975 0.000 -2.503) 3.188 3.866 ( -4.362 0.000 -0.889) 4.452 4.119 ( 11.184 0.000 -3.412) 11.693 4.121 ( -0.240 0.000 -0.931) 0.961 4.203 ( -8.465 0.000 0.201) 8.467 4.378 ( -13.346 0.000 -5.203) 14.325 4.759 ( 4.372 0.000 1.386) 4.587 4.824 ( -1.495 0.000 4.056) 4.322 4.855 ( 9.781 0.000 -1.223) 9.857 4.983 ( -2.870 0.000 -3.384) 4.437 5.356 ( 8.944 0.000 -3.933) 9.771 5.432 ( 9.605 0.000 -0.656) 9.627 5.561 ( -11.089 0.000 -5.512) 12.384 5.636 ( -10.879 0.000 0.127) 10.880 6.250 ( 4.613 0.000 5.734) 7.359 6.319 ( 2.669 0.000 -0.973) 2.841 6.335 ( -3.618 0.000 6.945) 7.831 6.380 ( -3.791 0.000 0.016) 3.791 6.717 ( 5.174 0.000 4.978) 7.180 6.825 ( -5.342 0.000 0.027) 5.342 6.826 ( 3.466 0.000 -5.282) 6.318 6.901 ( -3.894 0.000 -5.805) 6.990 7.714 ( 3.225 0.000 9.112) 9.666 7.752 ( -0.588 0.000 8.434) 8.454 7.838 ( 12.167 0.000 3.084) 12.551 7.950 ( 4.044 0.000 0.309) 4.056 7.993 ( 6.497 0.000 2.952) 7.137 8.013 ( -3.674 0.000 3.467) 5.051 8.051 ( 0.553 0.000 -3.281) 3.327 8.131 ( -11.394 0.000 -1.415) 11.482 8.826 ( -4.692 0.000 -11.200) 12.143 8.838 ( -5.758 0.000 -4.383) 7.237 8.907 ( 2.191 0.000 -12.367) 12.560 8.929 ( -0.525 0.000 -8.717) 8.733 9.803 ( 3.614 0.000 13.328) 13.810 9.866 ( -2.580 0.000 12.358) 12.625 9.978 ( 4.305 0.000 2.535) 4.996 10.079 ( -5.319 0.000 3.361) 6.292 10.469 ( 3.600 0.000 -4.662) 5.891 10.485 ( 11.039 0.000 1.576) 11.151 10.558 ( -5.626 0.000 -1.200) 5.752 10.615 ( 5.859 0.000 -0.354) 5.870 10.697 ( -6.146 0.000 1.490) 6.324 10.860 ( -12.982 0.000 -12.010) 17.685 10.938 ( 8.517 0.000 -5.770) 10.288 11.083 ( -5.624 0.000 -3.498) 6.623 11.735 ( 6.841 0.000 -3.187) 7.547 11.742 ( 5.233 0.000 -5.168) 7.355 11.815 ( -2.386 0.000 -6.560) 6.980 11.857 ( -5.522 0.000 -0.799) 5.580 12.507 ( 8.993 0.000 13.090) 15.881 12.674 ( 11.156 0.000 -1.121) 11.213 12.692 ( -9.651 0.000 11.540) 15.043 12.886 ( 21.115 0.000 -8.139) 22.629 12.920 ( -11.559 0.000 3.528) 12.086 13.109 ( 4.556 0.000 -10.647) 11.581 13.282 ( -12.253 0.000 -10.547) 16.167 13.331 ( -23.438 0.000 -8.174) 24.822 15.514 ( 4.776 0.000 3.445) 5.889 15.575 ( -1.179 0.000 -1.294) 1.750 15.594 ( 10.294 0.000 -1.319) 10.378 15.781 ( -8.771 0.000 -7.180) 11.335 19.560 ( 2.219 0.000 8.535) 8.819 19.655 ( -7.985 0.000 9.409) 12.341 19.722 ( 3.386 0.000 4.885) 5.944 19.806 ( -5.318 0.000 6.359) 8.290 20.194 ( 12.046 0.000 9.854) 15.563 20.437 ( -11.991 0.000 13.587) 18.121 20.796 ( 20.358 0.000 -11.097) 23.186 21.214 ( -21.572 0.000 -13.334) 25.361 22.433 ( 4.979 0.000 0.677) 5.024 22.561 ( -7.380 0.000 2.923) 7.938 22.571 ( 12.296 0.000 -8.892) 15.174 22.780 ( -8.730 0.000 -8.765) 12.370 23.626 ( 2.705 0.000 4.189) 4.987 23.656 ( -0.310 0.000 5.028) 5.037 23.850 ( 4.501 0.000 -6.483) 7.892 23.924 ( -2.819 0.000 -7.335) 7.857 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 6.307 15.692) 16.912 1.725 ( 0.000 5.930 18.101) 19.048 1.863 ( 0.000 3.480 5.785) 6.751 2.089 ( 0.000 -3.366 11.944) 12.410 2.186 ( 0.000 0.893 2.258) 2.428 2.342 ( 0.000 -5.025 12.932) 13.874 2.425 ( 0.000 2.533 9.297) 9.636 2.429 ( 0.000 0.251 -4.344) 4.352 2.662 ( 0.000 -1.522 4.478) 4.729 2.713 ( 0.000 5.637 -0.547) 5.663 2.748 ( 0.000 0.671 3.595) 3.658 2.953 ( 0.000 -0.974 -6.903) 6.971 3.127 ( 0.000 -7.337 4.706) 8.716 3.298 ( 0.000 1.943 -6.331) 6.623 3.452 ( 0.000 -8.875 -10.722) 13.918 3.466 ( 0.000 -4.392 -11.401) 12.218 3.788 ( 0.000 -0.517 10.395) 10.408 3.876 ( 0.000 -4.064 3.664) 5.472 3.979 ( 0.000 -1.469 0.811) 1.678 4.092 ( 0.000 4.666 5.416) 7.148 4.095 ( 0.000 -1.271 -3.380) 3.611 4.296 ( 0.000 -1.534 1.830) 2.388 4.347 ( 0.000 4.048 -7.980) 8.948 4.453 ( 0.000 -1.021 -4.653) 4.764 4.503 ( 0.000 9.898 7.328) 12.315 4.577 ( 0.000 6.313 6.893) 9.347 4.843 ( 0.000 -3.770 -10.233) 10.906 4.932 ( 0.000 0.758 -8.020) 8.056 5.183 ( 0.000 5.313 1.175) 5.441 5.249 ( 0.000 7.910 -4.371) 9.037 5.859 ( 0.000 -10.063 5.964) 11.698 6.050 ( 0.000 5.248 -1.585) 5.482 6.111 ( 0.000 -11.687 1.379) 11.768 6.134 ( 0.000 6.562 -3.010) 7.220 6.367 ( 0.000 -2.146 10.266) 10.488 6.463 ( 0.000 -1.827 2.890) 3.419 6.649 ( 0.000 4.199 8.286) 9.289 6.875 ( 0.000 3.525 2.206) 4.158 7.058 ( 0.000 -5.603 2.402) 6.097 7.195 ( 0.000 5.502 -1.495) 5.702 7.252 ( 0.000 5.755 -2.676) 6.346 7.255 ( 0.000 -8.036 -3.655) 8.828 7.509 ( 0.000 -0.286 10.029) 10.033 7.750 ( 0.000 -6.729 2.446) 7.159 8.003 ( 0.000 -1.158 -4.924) 5.059 8.004 ( 0.000 9.404 -3.517) 10.040 8.228 ( 0.000 -3.489 -14.948) 15.350 8.434 ( 0.000 5.155 -16.499) 17.286 8.720 ( 0.000 1.415 9.098) 9.208 8.812 ( 0.000 -8.673 9.120) 12.586 9.245 ( 0.000 1.591 -8.201) 8.354 9.286 ( 0.000 0.246 -10.797) 10.799 9.594 ( 0.000 -3.588 17.723) 18.083 9.802 ( 0.000 -4.455 7.692) 8.889 10.095 ( 0.000 -1.363 3.160) 3.441 10.192 ( 0.000 -1.192 -10.613) 10.680 10.213 ( 0.000 10.203 -7.681) 12.771 10.291 ( 0.000 1.875 -0.414) 1.920 10.475 ( 0.000 4.175 11.872) 12.585 10.646 ( 0.000 -4.262 3.396) 5.450 10.806 ( 0.000 -2.101 8.488) 8.744 10.883 ( 0.000 -9.457 5.299) 10.841 11.186 ( 0.000 3.936 -1.190) 4.112 11.283 ( 0.000 -1.313 -13.524) 13.587 11.423 ( 0.000 4.938 -5.759) 7.586 11.612 ( 0.000 8.384 -12.424) 14.989 11.766 ( 0.000 -1.413 -3.973) 4.217 11.903 ( 0.000 -0.853 -8.449) 8.492 12.196 ( 0.000 -0.336 13.300) 13.304 12.287 ( 0.000 -4.870 3.221) 5.838 12.479 ( 0.000 1.308 -5.029) 5.196 12.717 ( 0.000 -10.111 -13.084) 16.535 13.340 ( 0.000 16.107 1.272) 16.157 13.613 ( 0.000 8.998 -4.189) 9.925 13.877 ( 0.000 -3.721 14.013) 14.499 14.342 ( 0.000 -5.682 -8.238) 10.007 14.986 ( 0.000 1.511 9.960) 10.074 15.249 ( 0.000 -5.207 12.600) 13.633 15.438 ( 0.000 2.400 -13.739) 13.947 15.967 ( 0.000 -12.063 -21.034) 24.247 19.613 ( 0.000 0.097 8.858) 8.859 19.665 ( 0.000 1.378 9.207) 9.309 19.812 ( 0.000 0.779 -0.077) 0.783 19.940 ( 0.000 -5.284 0.901) 5.361 20.237 ( 0.000 4.586 16.180) 16.817 20.556 ( 0.000 -4.887 3.601) 6.070 20.832 ( 0.000 9.112 -9.728) 13.329 21.271 ( 0.000 -3.287 -24.047) 24.271 22.571 ( 0.000 1.819 3.311) 3.778 22.642 ( 0.000 -0.467 -0.307) 0.559 22.676 ( 0.000 1.338 -1.551) 2.048 22.710 ( 0.000 0.573 -2.698) 2.758 23.444 ( 0.000 0.842 6.209) 6.265 23.556 ( 0.000 -1.802 8.508) 8.697 23.737 ( 0.000 1.951 -6.955) 7.224 23.933 ( 0.000 -2.568 -8.666) 9.038 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.917 5.669 14.208) 15.572 1.631 ( -6.460 6.564 18.578) 20.735 1.935 ( 5.115 2.375 7.239) 9.176 2.056 ( -2.193 -4.540 8.283) 9.697 2.118 ( -3.724 -2.431 11.055) 11.916 2.349 ( -0.571 0.915 -4.783) 4.903 2.457 ( 3.061 1.921 4.609) 5.856 2.551 ( -0.906 1.932 0.749) 2.261 2.561 ( 4.661 0.735 4.708) 6.665 2.643 ( -4.626 0.508 -0.206) 4.658 2.837 ( 5.460 1.227 2.361) 6.074 3.068 ( 7.974 0.933 -6.552) 10.363 3.129 ( -0.195 -6.917 4.455) 8.230 3.339 ( 3.812 -0.976 -4.412) 5.912 3.362 ( -3.976 -4.449 -6.184) 8.593 3.553 ( 3.523 -7.052 -11.516) 13.955 3.675 ( -10.502 -2.950 4.087) 11.649 3.768 ( -8.839 -0.311 2.182) 9.110 3.854 ( -5.355 -0.885 1.891) 5.747 4.041 ( -12.894 2.162 -3.862) 13.633 4.081 ( 0.540 3.374 4.872) 5.950 4.303 ( 4.252 1.022 3.941) 5.887 4.390 ( 2.677 6.452 -3.547) 7.834 4.480 ( 2.778 -0.641 -0.868) 2.980 4.584 ( 2.390 1.896 4.451) 5.396 4.632 ( 6.419 2.936 2.472) 7.478 4.849 ( 1.142 -6.206 -9.047) 11.030 4.891 ( -4.259 2.936 -6.867) 8.598 5.200 ( 1.731 4.545 1.082) 4.982 5.256 ( 1.759 7.775 -2.546) 8.368 5.879 ( -0.986 -4.995 2.414) 5.635 6.023 ( 1.007 -2.561 -0.007) 2.752 6.055 ( -5.347 3.751 -0.366) 6.542 6.172 ( 2.257 -3.244 -2.181) 4.513 6.371 ( -0.377 -3.258 7.640) 8.314 6.454 ( -1.029 -2.722 2.118) 3.599 6.649 ( 0.388 4.552 11.148) 12.048 6.846 ( -1.499 3.539 0.758) 3.918 7.062 ( -3.130 0.458 -1.375) 3.449 7.108 ( -4.389 4.842 -2.427) 6.971 7.250 ( 6.754 -3.946 2.836) 8.321 7.430 ( 8.591 -4.937 -0.959) 9.955 7.545 ( 3.627 -1.689 7.532) 8.529 7.783 ( 2.880 -3.203 3.414) 5.496 7.965 ( -2.309 -3.246 -4.225) 5.807 8.043 ( 3.034 11.593 -0.923) 12.019 8.195 ( -2.455 1.494 -8.006) 8.506 8.462 ( -2.266 3.248 -14.190) 14.733 8.650 ( 1.002 -8.837 -1.968) 9.109 8.887 ( 3.053 -0.299 8.656) 9.184 9.167 ( -7.076 0.149 -13.147) 14.931 9.258 ( -3.226 4.452 -6.881) 8.807 9.583 ( -0.786 -6.044 16.147) 17.259 9.810 ( 0.510 -4.706 8.677) 9.884 10.082 ( -1.134 -3.006 4.359) 5.415 10.103 ( -4.093 4.439 -8.673) 10.568 10.281 ( 0.539 2.216 -2.430) 3.332 10.307 ( 4.264 2.727 -4.799) 6.975 10.503 ( 1.569 3.052 8.784) 9.431 10.672 ( 3.254 -2.303 1.890) 4.412 10.782 ( -2.552 -1.108 6.284) 6.872 10.878 ( -0.848 -7.202 5.040) 8.831 11.165 ( -2.026 2.371 -0.165) 3.123 11.254 ( -2.770 0.175 -12.264) 12.574 11.465 ( 4.003 3.513 -5.396) 7.582 11.603 ( 1.340 5.455 -6.601) 8.668 11.840 ( 2.006 -0.350 -9.851) 10.060 11.948 ( 6.281 1.557 -9.330) 11.354 12.211 ( 1.862 -0.860 14.290) 14.436 12.308 ( 2.575 -4.794 2.756) 6.100 12.487 ( 1.567 1.124 -5.114) 5.465 12.750 ( 3.143 -8.634 -11.021) 14.349 13.255 ( -8.051 14.137 1.194) 16.313 13.484 ( -11.484 5.183 1.867) 12.737 13.790 ( -9.314 -3.027 6.027) 11.499 14.162 ( -15.559 -2.419 -7.633) 17.498 15.129 ( 11.544 -0.036 6.726) 13.360 15.280 ( 3.592 -3.710 10.852) 12.018 15.488 ( 4.033 1.385 -10.731) 11.547 15.938 ( -2.880 -10.699 -18.702) 21.738 19.592 ( -1.625 0.732 8.134) 8.327 19.663 ( -0.090 1.126 7.463) 7.548 19.828 ( 1.422 -2.422 4.414) 5.232 19.966 ( -0.451 -5.035 9.624) 10.871 20.207 ( 0.845 5.522 0.412) 5.601 20.473 ( -18.546 7.381 -5.469) 20.697 20.629 ( 2.138 -2.435 9.505) 10.042 21.588 ( 16.031 -1.322 -28.345) 32.591 22.326 ( -11.551 1.462 5.682) 12.955 22.511 ( -8.844 0.742 -3.207) 9.437 22.754 ( -0.506 -0.777 1.112) 1.448 22.835 ( 6.932 -0.073 -3.001) 7.554 23.482 ( 3.596 1.024 5.230) 6.429 23.585 ( 2.484 -1.376 7.605) 8.118 23.741 ( 0.849 2.197 -6.481) 6.895 23.940 ( 0.488 -2.344 -8.406) 8.740 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -2.951 4.981 15.275) 16.335 1.641 ( 0.437 2.381 9.318) 9.628 1.952 ( -2.597 2.515 5.856) 6.882 2.026 ( -2.701 -1.618 10.741) 11.194 2.154 ( 5.862 -2.805 4.716) 8.030 2.301 ( -1.261 2.422 -8.517) 8.945 2.464 ( -1.654 1.409 1.005) 2.394 2.557 ( 5.975 -2.173 1.109) 6.453 2.598 ( -0.241 -2.080 -2.189) 3.029 2.729 ( 6.599 7.592 -2.456) 10.355 2.918 ( 3.302 3.032 5.753) 7.294 3.081 ( -5.322 -6.277 3.638) 8.998 3.203 ( 2.735 -0.376 -4.796) 5.534 3.271 ( -4.878 0.434 -2.062) 5.313 3.405 ( -4.111 -0.562 3.757) 5.597 3.476 ( -1.431 -6.327 -2.029) 6.797 3.601 ( 1.762 -2.205 -8.024) 8.506 3.651 ( -2.288 -0.039 -1.647) 2.820 3.755 ( -3.499 -3.756 -1.894) 5.472 3.876 ( -4.021 -3.036 -5.714) 7.618 4.089 ( 1.257 6.277 4.668) 7.923 4.227 ( -5.108 4.653 0.315) 6.917 4.463 ( -6.954 4.912 2.171) 8.786 4.524 ( 3.174 -0.459 -0.380) 3.229 4.630 ( 5.789 -2.003 1.197) 6.241 4.757 ( 3.712 -0.571 0.506) 3.790 4.770 ( -3.182 2.511 -1.806) 4.438 4.911 ( 2.942 -6.469 -5.906) 9.240 5.254 ( 4.427 2.565 -1.180) 5.251 5.340 ( 6.419 8.200 -0.627) 10.432 5.777 ( -8.011 0.887 -3.508) 8.790 5.912 ( -9.015 6.126 -1.065) 10.951 6.106 ( 4.715 -6.121 2.187) 8.030 6.213 ( 2.685 -4.469 -1.933) 5.560 6.344 ( -2.346 -3.132 5.921) 7.097 6.404 ( -3.685 -4.898 0.161) 6.132 6.687 ( 3.305 5.689 11.962) 13.653 6.829 ( -0.803 3.172 -1.046) 3.435 6.996 ( -1.698 3.077 -1.034) 3.663 7.038 ( -3.358 9.480 -4.084) 10.854 7.435 ( 10.670 -9.898 4.991) 15.387 7.570 ( 5.573 -5.058 6.872) 10.191 7.646 ( 6.262 -6.818 0.685) 9.283 7.832 ( 1.416 2.513 6.834) 7.418 7.923 ( -2.049 -6.415 -0.589) 6.759 8.126 ( 1.072 7.863 -2.023) 8.189 8.142 ( 0.729 5.936 3.416) 6.888 8.348 ( -5.553 3.722 -8.600) 10.893 8.754 ( 5.885 -5.989 -11.884) 14.551 8.912 ( 0.225 1.027 -1.289) 1.664 9.006 ( -8.295 2.056 -11.811) 14.579 9.148 ( -7.817 8.609 -6.256) 13.204 9.586 ( 1.555 -10.761 13.182) 17.088 9.803 ( -1.676 -7.243 10.771) 13.088 10.042 ( -1.831 5.308 -1.662) 5.856 10.059 ( -1.537 -7.874 1.071) 8.093 10.348 ( 7.006 4.753 -1.732) 8.641 10.375 ( 2.815 -0.629 -5.117) 5.874 10.526 ( 1.130 0.368 6.579) 6.685 10.676 ( -4.305 -2.063 1.171) 4.915 10.811 ( 7.148 3.378 -2.699) 8.354 10.833 ( -3.894 -1.322 4.585) 6.160 11.070 ( -8.120 -0.707 -6.786) 10.605 11.208 ( -2.147 3.659 -4.803) 6.408 11.564 ( 5.849 -0.385 -2.609) 6.416 11.668 ( 4.316 2.762 -2.359) 5.641 11.853 ( 0.813 1.648 -9.099) 9.283 12.015 ( -1.403 5.577 -7.677) 9.592 12.315 ( 7.960 -2.067 12.296) 14.793 12.415 ( 8.603 -6.019 0.585) 10.516 12.576 ( 8.614 0.489 -6.288) 10.676 12.822 ( 3.176 -3.036 -3.263) 5.473 13.072 ( -8.537 8.062 -2.651) 12.037 13.224 ( -13.854 0.077 6.409) 15.265 13.527 ( -16.365 -3.553 -3.053) 17.022 13.801 ( -20.380 1.347 -9.327) 22.454 15.361 ( 11.303 -1.288 3.329) 11.853 15.386 ( 6.637 -1.816 7.068) 9.865 15.558 ( 2.448 0.355 -6.476) 6.932 15.857 ( -5.264 -7.599 -13.035) 15.980 19.564 ( -0.890 1.447 8.393) 8.563 19.672 ( 0.951 0.028 5.236) 5.322 19.783 ( -6.321 -5.344 11.665) 14.303 19.942 ( -2.845 -0.663 12.855) 13.183 20.126 ( -3.359 9.898 -3.703) 11.089 20.454 ( 13.769 1.563 -9.704) 16.917 20.619 ( -4.623 -0.368 15.055) 15.753 21.586 ( -15.101 -1.223 -19.881) 24.996 22.332 ( 10.506 1.152 -3.377) 11.095 22.393 ( -1.733 -0.187 -2.444) 3.002 22.682 ( -6.061 -1.556 3.323) 7.085 22.886 ( -1.720 -0.537 -6.812) 7.046 23.563 ( 4.059 0.764 4.365) 6.010 23.632 ( 1.942 -0.798 6.105) 6.456 23.784 ( 3.446 2.095 -6.024) 7.249 23.943 ( -0.405 -1.696 -7.826) 8.018 ======================= Grid point 115 (44/60) ======================= q-point: ( 0.43 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 5.521 -0.185 8.290) 9.962 1.626 ( -1.886 -3.534 6.757) 7.855 1.856 ( -3.875 8.471 -3.213) 9.854 1.914 ( -7.894 6.231 -1.290) 10.139 2.275 ( 7.486 -6.271 5.214) 11.070 2.358 ( 1.002 -1.874 2.414) 3.216 2.473 ( 3.950 0.536 -0.358) 4.002 2.568 ( -3.524 -0.448 -2.491) 4.339 2.740 ( 10.376 1.136 0.058) 10.438 2.796 ( 1.708 3.880 -2.898) 5.135 2.927 ( -5.539 0.083 2.283) 5.992 3.016 ( 2.256 -0.028 6.741) 7.109 3.049 ( -8.762 5.388 -0.937) 10.328 3.164 ( -8.256 1.772 5.952) 10.330 3.404 ( 4.528 -0.146 -6.929) 8.279 3.475 ( -2.237 -5.491 -5.803) 8.297 3.671 ( 3.843 -4.299 -3.117) 6.555 3.684 ( 3.721 -5.060 -0.526) 6.303 3.728 ( 0.742 -4.271 -2.143) 4.836 3.806 ( -4.440 -5.313 -2.230) 7.274 4.141 ( 2.838 4.373 1.287) 5.370 4.203 ( 2.273 4.476 -0.642) 5.061 4.300 ( -4.900 8.551 -1.357) 9.948 4.429 ( -9.906 3.963 -4.875) 11.730 4.724 ( 4.110 -3.483 3.857) 6.626 4.781 ( -0.732 -3.214 4.202) 5.340 4.842 ( 6.072 -1.352 -0.408) 6.234 4.928 ( -1.788 -5.226 -2.662) 6.131 5.392 ( 9.219 3.135 -4.093) 10.563 5.491 ( 8.005 6.397 -1.201) 10.318 5.599 ( -8.743 3.143 -6.156) 11.145 5.709 ( -11.109 6.765 -2.912) 13.329 6.179 ( 3.537 -7.015 3.886) 8.765 6.261 ( -4.254 -5.922 4.106) 8.368 6.289 ( 3.281 -3.358 0.286) 4.703 6.350 ( -2.360 -2.514 1.921) 3.947 6.754 ( 3.186 3.687 5.558) 7.391 6.805 ( -1.792 1.992 0.262) 2.692 6.984 ( -0.241 7.420 -2.671) 7.890 6.990 ( -1.164 11.191 -3.614) 11.818 7.623 ( 6.824 -9.461 5.095) 12.730 7.653 ( 2.605 -5.762 8.435) 10.543 7.760 ( 4.721 -8.308 4.442) 10.537 7.859 ( -4.608 -8.390 4.908) 10.757 7.865 ( 3.823 -0.842 3.764) 5.431 8.003 ( -8.368 -6.116 0.235) 10.368 8.256 ( 5.204 14.488 0.362) 15.399 8.305 ( -0.255 13.747 -3.451) 14.176 8.826 ( 1.637 -0.517 -5.698) 5.951 8.874 ( -4.244 4.127 -8.721) 10.541 8.928 ( 1.478 1.347 -11.176) 11.353 8.994 ( -6.176 6.007 -9.999) 13.199 9.645 ( 4.301 -12.575 12.131) 17.995 9.739 ( -4.600 -11.113 12.198) 17.130 10.023 ( -0.136 0.311 -1.007) 1.063 10.033 ( -1.023 -3.620 2.494) 4.514 10.430 ( 3.150 -2.532 -3.193) 5.151 10.499 ( -1.880 -3.206 -0.546) 3.757 10.545 ( 8.966 4.886 3.215) 10.705 10.661 ( 3.797 1.837 -1.859) 4.610 10.728 ( -5.626 2.682 3.322) 7.063 10.852 ( -10.547 -0.255 -11.189) 15.379 10.988 ( 7.457 4.032 -5.845) 10.297 11.131 ( -6.000 4.079 -5.382) 9.034 11.679 ( 5.057 -3.160 1.701) 6.201 11.727 ( 0.670 -0.991 1.166) 1.670 11.887 ( 2.573 6.065 -8.564) 10.805 11.951 ( -3.861 7.425 -6.925) 10.862 12.475 ( 8.297 -2.757 10.911) 13.982 12.565 ( 3.196 -6.015 7.463) 10.104 12.793 ( 0.951 3.812 3.573) 5.311 12.857 ( 14.875 -1.562 -7.757) 16.848 12.934 ( -11.197 0.769 5.470) 12.485 13.099 ( 7.411 -0.893 -12.258) 14.352 13.195 ( -16.150 -5.234 -7.238) 18.456 13.397 ( -19.613 3.498 -10.946) 22.732 15.504 ( 5.140 -0.857 2.697) 5.868 15.568 ( 7.893 -2.192 -0.931) 8.244 15.570 ( 0.133 -0.508 -2.305) 2.364 15.733 ( -7.355 -4.546 -6.570) 10.860 19.569 ( 1.628 0.943 9.406) 9.592 19.635 ( -4.907 -1.406 9.709) 10.969 19.735 ( 2.848 0.693 6.015) 6.691 19.824 ( -6.048 1.402 6.840) 9.238 20.236 ( 10.308 4.005 6.893) 13.030 20.456 ( -10.925 1.741 12.763) 16.890 20.793 ( 19.689 -0.273 -11.012) 22.560 21.202 ( -21.378 -1.108 -13.010) 25.050 22.415 ( 4.630 -1.480 1.186) 5.004 22.533 ( -4.682 -1.744 2.081) 5.412 22.593 ( 9.251 1.150 -8.322) 12.496 22.785 ( -8.021 0.425 -9.174) 12.193 23.628 ( 2.389 0.177 4.434) 5.039 23.652 ( -0.053 -0.390 5.063) 5.078 23.859 ( 3.718 0.887 -6.486) 7.528 23.918 ( -2.150 -0.587 -7.175) 7.513 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 12.702 10.955) 16.773 1.868 ( 0.000 7.627 15.323) 17.116 1.933 ( 0.000 2.410 7.506) 7.883 1.959 ( 0.000 -10.595 7.361) 12.901 2.160 ( 0.000 -2.348 8.452) 8.773 2.206 ( 0.000 -7.620 13.644) 15.627 2.448 ( 0.000 1.112 1.860) 2.167 2.456 ( 0.000 0.511 6.054) 6.076 2.673 ( 0.000 3.573 7.409) 8.226 2.739 ( 0.000 -1.776 6.783) 7.012 2.889 ( 0.000 9.804 -2.897) 10.223 2.943 ( 0.000 -0.424 -6.080) 6.095 3.019 ( 0.000 -0.836 -1.510) 1.726 3.214 ( 0.000 -14.950 -7.492) 16.722 3.335 ( 0.000 1.832 -11.549) 11.694 3.383 ( 0.000 -3.677 -12.898) 13.412 3.795 ( 0.000 0.969 6.831) 6.900 3.820 ( 0.000 -1.847 2.874) 3.416 4.013 ( 0.000 5.109 1.367) 5.288 4.104 ( 0.000 -3.059 4.328) 5.300 4.119 ( 0.000 4.221 -2.751) 5.038 4.243 ( 0.000 -6.481 -6.104) 8.903 4.408 ( 0.000 2.007 -8.524) 8.757 4.424 ( 0.000 -0.610 -5.948) 5.979 4.638 ( 0.000 3.448 5.839) 6.781 4.658 ( 0.000 1.516 7.757) 7.903 4.843 ( 0.000 4.319 -3.321) 5.448 4.919 ( 0.000 -2.516 -4.937) 5.541 5.372 ( 0.000 13.711 5.786) 14.881 5.460 ( 0.000 14.612 0.471) 14.620 5.635 ( 0.000 -13.410 5.231) 14.394 5.791 ( 0.000 -19.352 5.887) 20.228 6.179 ( 0.000 8.022 -0.028) 8.022 6.269 ( 0.000 7.023 -4.433) 8.304 6.315 ( 0.000 -5.210 0.548) 5.239 6.390 ( 0.000 -5.861 -0.285) 5.868 6.762 ( 0.000 8.402 10.113) 13.148 6.926 ( 0.000 -8.220 6.413) 10.425 6.974 ( 0.000 6.244 1.070) 6.335 7.103 ( 0.000 -7.614 -0.334) 7.622 7.354 ( 0.000 10.726 0.482) 10.737 7.374 ( 0.000 6.740 -4.113) 7.896 7.474 ( 0.000 -3.734 0.710) 3.801 7.573 ( 0.000 -11.426 3.713) 12.014 8.011 ( 0.000 2.347 -2.205) 3.221 8.082 ( 0.000 -3.666 -7.021) 7.921 8.236 ( 0.000 7.503 -6.354) 9.832 8.399 ( 0.000 -8.092 -12.507) 14.897 8.794 ( 0.000 5.439 4.738) 7.213 8.807 ( 0.000 4.988 8.326) 9.706 9.183 ( 0.000 -4.235 -5.323) 6.802 9.223 ( 0.000 -6.543 -6.329) 9.103 9.589 ( 0.000 4.108 13.544) 14.153 9.705 ( 0.000 -6.665 8.561) 10.849 10.137 ( 0.000 3.640 -8.255) 9.022 10.172 ( 0.000 -0.955 -10.870) 10.911 10.328 ( 0.000 5.927 2.583) 6.466 10.431 ( 0.000 10.285 -3.430) 10.842 10.483 ( 0.000 -7.389 6.124) 9.597 10.569 ( 0.000 -2.422 1.132) 2.674 10.729 ( 0.000 -4.410 8.887) 9.921 10.751 ( 0.000 -3.502 10.558) 11.124 11.235 ( 0.000 1.642 -7.559) 7.735 11.258 ( 0.000 -1.078 -10.808) 10.861 11.584 ( 0.000 10.854 -2.761) 11.200 11.733 ( 0.000 3.804 -5.396) 6.602 11.752 ( 0.000 -1.535 -0.468) 1.605 11.800 ( 0.000 -8.471 -3.574) 9.194 12.210 ( 0.000 1.892 4.893) 5.246 12.242 ( 0.000 -1.028 0.685) 1.236 12.490 ( 0.000 1.126 -10.168) 10.230 12.560 ( 0.000 -6.334 -11.997) 13.567 13.599 ( 0.000 11.052 6.380) 12.761 13.771 ( 0.000 -7.458 11.684) 13.862 13.872 ( 0.000 17.046 -5.283) 17.846 14.168 ( 0.000 -13.010 -7.102) 14.822 15.036 ( 0.000 3.929 9.967) 10.713 15.134 ( 0.000 -6.278 10.889) 12.569 15.522 ( 0.000 7.052 -14.326) 15.967 15.713 ( 0.000 -13.001 -16.529) 21.029 19.648 ( 0.000 3.209 12.182) 12.598 19.687 ( 0.000 0.108 10.826) 10.826 19.812 ( 0.000 -0.333 3.446) 3.462 19.841 ( 0.000 -4.241 5.539) 6.977 20.337 ( 0.000 5.849 8.615) 10.413 20.451 ( 0.000 -6.086 5.176) 7.989 21.018 ( 0.000 9.772 -18.956) 21.327 21.176 ( 0.000 -6.822 -23.134) 24.119 22.607 ( 0.000 1.774 2.323) 2.923 22.631 ( 0.000 -0.795 0.950) 1.239 22.700 ( 0.000 1.178 -1.778) 2.133 22.715 ( 0.000 -0.234 -2.178) 2.191 23.470 ( 0.000 1.936 6.825) 7.094 23.513 ( 0.000 -2.538 7.755) 8.159 23.792 ( 0.000 3.741 -7.629) 8.496 23.868 ( 0.000 -4.074 -8.284) 9.231 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.350 9.424 11.256) 14.684 1.781 ( -9.551 8.143 18.383) 22.259 1.921 ( -2.291 -8.066 7.820) 11.466 1.987 ( 3.903 -0.850 6.766) 7.857 2.038 ( 0.880 -3.182 10.040) 10.569 2.367 ( 4.610 -0.331 3.010) 5.515 2.451 ( 1.831 -1.606 -1.446) 2.832 2.523 ( -3.674 -0.569 7.119) 8.031 2.615 ( 7.578 1.030 4.558) 8.903 2.721 ( -5.722 8.109 -2.122) 10.149 2.879 ( 3.520 -2.765 3.826) 5.888 3.003 ( -0.400 -0.389 -2.795) 2.850 3.095 ( 8.644 2.036 -2.312) 9.177 3.228 ( 0.856 -8.771 -5.674) 10.481 3.352 ( 1.763 1.137 -10.226) 10.439 3.409 ( 2.088 -5.785 -10.629) 12.280 3.630 ( -10.902 -1.254 3.712) 11.584 3.761 ( -5.174 -0.234 3.142) 6.058 3.874 ( -8.147 2.222 -4.057) 9.368 4.073 ( -12.558 1.369 -9.716) 15.937 4.158 ( 1.329 2.739 5.297) 6.110 4.293 ( 10.014 -0.982 3.205) 10.560 4.455 ( 6.611 -1.082 -2.244) 7.064 4.516 ( -3.486 3.689 -6.955) 8.610 4.549 ( 0.356 -3.166 5.362) 6.237 4.689 ( 1.255 1.870 6.920) 7.277 4.776 ( -2.770 -0.749 -4.030) 4.947 4.935 ( -1.356 1.232 -4.231) 4.611 5.319 ( -3.204 6.112 3.769) 7.863 5.481 ( 2.599 15.461 0.800) 15.698 5.746 ( 6.503 -6.899 2.386) 9.777 5.807 ( 2.651 -16.543 4.956) 17.471 6.143 ( -3.217 5.102 -0.672) 6.069 6.226 ( -3.954 5.390 -3.384) 7.493 6.321 ( 0.330 -2.500 1.898) 3.156 6.359 ( -3.141 -6.422 -2.754) 7.661 6.784 ( 2.311 8.549 11.337) 14.386 6.896 ( -2.033 0.635 3.704) 4.272 7.011 ( 0.486 -5.253 4.300) 6.806 7.123 ( 4.740 -1.510 4.186) 6.502 7.304 ( -3.419 6.786 -2.736) 8.076 7.406 ( 3.633 2.318 -2.569) 5.017 7.485 ( 1.262 -4.361 -1.727) 4.857 7.689 ( 8.400 -5.458 2.430) 10.308 7.914 ( -5.233 -1.604 2.246) 5.916 8.167 ( 2.508 -0.434 -3.237) 4.118 8.272 ( 3.359 8.727 -3.731) 10.068 8.465 ( 4.574 -9.258 -4.907) 11.432 8.562 ( -7.804 5.458 -5.448) 10.972 8.973 ( 3.560 7.360 4.374) 9.273 9.123 ( -5.076 -4.892 -11.094) 13.145 9.212 ( -0.125 -6.048 -3.776) 7.131 9.568 ( -2.490 3.760 14.108) 14.811 9.708 ( -0.622 -5.795 8.032) 9.924 10.021 ( -7.014 -1.322 -6.536) 9.678 10.169 ( -2.648 0.909 -9.818) 10.209 10.346 ( 1.719 5.843 2.302) 6.511 10.435 ( 0.969 8.642 1.131) 8.770 10.487 ( 0.512 -4.572 4.509) 6.442 10.605 ( 1.097 -6.543 0.101) 6.635 10.746 ( 3.499 -0.231 6.691) 7.554 10.786 ( 2.535 -2.704 7.297) 8.184 11.199 ( -4.455 1.138 -7.588) 8.872 11.242 ( -0.551 -0.741 -8.049) 8.102 11.590 ( 0.284 7.606 -2.414) 7.984 11.664 ( -0.341 0.986 1.255) 1.633 11.828 ( 2.891 -3.163 -5.377) 6.875 11.936 ( 10.933 -0.553 -10.213) 14.971 12.204 ( 0.573 -0.261 6.795) 6.824 12.269 ( 1.993 0.400 1.249) 2.385 12.489 ( 0.771 -0.388 -7.814) 7.862 12.625 ( 6.096 -4.103 -12.100) 14.157 13.474 ( -11.506 7.969 8.706) 16.483 13.598 ( -16.795 3.258 5.233) 17.890 13.735 ( -10.879 -0.679 0.815) 10.931 14.095 ( -9.115 -3.746 -10.731) 14.570 15.140 ( 9.347 1.519 7.842) 12.295 15.199 ( 6.187 -4.111 9.529) 12.082 15.549 ( 2.256 5.484 -12.045) 13.426 15.716 ( 0.070 -11.049 -14.925) 18.570 19.634 ( -0.824 3.215 10.222) 10.748 19.686 ( -0.914 1.232 9.727) 9.847 19.753 ( -2.688 -4.810 8.570) 10.189 19.906 ( 2.681 -1.507 9.551) 10.034 20.285 ( 0.603 2.538 -4.317) 5.044 20.564 ( 4.101 -0.668 11.691) 12.407 20.617 ( -18.089 3.023 -12.796) 22.363 21.563 ( 16.372 -0.948 -28.452) 32.840 22.351 ( -11.434 0.860 5.362) 12.658 22.527 ( -9.548 0.724 -3.003) 10.035 22.735 ( -1.228 -0.895 1.816) 2.368 22.836 ( 5.692 0.110 -2.701) 6.301 23.509 ( 3.451 1.727 6.156) 7.266 23.551 ( 3.300 -1.966 6.439) 7.498 23.798 ( 0.915 3.428 -7.199) 8.026 23.881 ( 1.075 -3.484 -7.963) 8.758 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -7.399 3.167 17.228) 19.015 1.669 ( -5.649 0.668 12.948) 14.143 1.973 ( 7.518 -0.619 7.371) 10.546 2.025 ( 0.348 0.558 3.546) 3.606 2.137 ( 2.844 1.874 0.190) 3.411 2.363 ( -0.660 3.694 -3.225) 4.949 2.452 ( 0.610 -3.763 -4.270) 5.724 2.513 ( -1.479 -3.919 -1.137) 4.341 2.623 ( 2.630 8.549 4.473) 10.000 2.839 ( 4.696 -0.725 3.092) 5.669 2.893 ( 2.626 -6.480 1.463) 7.143 3.006 ( -0.762 3.026 0.597) 3.177 3.210 ( -1.583 0.512 -1.483) 2.229 3.249 ( 3.448 -1.364 -1.304) 3.931 3.378 ( -0.745 -2.837 -4.304) 5.209 3.407 ( 0.152 -1.678 -5.391) 5.648 3.540 ( 2.132 -0.103 -4.081) 4.605 3.673 ( -3.267 -0.499 -2.180) 3.959 3.726 ( -7.151 1.200 -5.697) 9.222 3.809 ( -10.904 -3.253 -8.442) 14.169 4.203 ( 2.672 4.496 4.593) 6.961 4.309 ( -6.467 4.282 3.397) 8.467 4.470 ( 1.294 -6.198 0.984) 6.407 4.543 ( 0.070 2.857 0.811) 2.971 4.612 ( 3.110 1.097 3.163) 4.569 4.726 ( 3.316 -1.888 2.994) 4.850 4.773 ( 1.263 -2.542 -2.575) 3.833 4.860 ( -4.613 1.413 -4.709) 6.742 5.311 ( 3.275 2.468 0.097) 4.102 5.545 ( 3.844 11.920 -3.477) 12.998 5.756 ( -3.384 -4.285 -2.028) 5.824 5.922 ( 4.836 -6.932 6.627) 10.740 6.073 ( -6.427 6.986 -5.881) 11.167 6.147 ( 0.165 -1.862 -3.063) 3.588 6.252 ( -5.701 -7.338 1.787) 9.462 6.343 ( -0.097 -0.715 2.172) 2.289 6.821 ( 0.447 6.616 12.551) 14.195 6.869 ( -0.807 0.831 1.565) 1.948 7.029 ( 3.798 0.351 4.324) 5.766 7.246 ( -2.331 7.301 -6.220) 9.871 7.279 ( 9.125 -2.203 7.121) 11.782 7.474 ( 2.593 -5.899 4.485) 7.850 7.551 ( 5.609 -2.464 -5.733) 8.390 7.815 ( 1.703 -3.260 -0.097) 3.679 7.830 ( -2.018 -2.435 10.207) 10.686 8.076 ( -10.120 -2.614 7.477) 12.851 8.373 ( 6.436 9.635 -2.356) 11.824 8.467 ( 2.677 4.649 -2.901) 6.099 8.657 ( 8.508 -3.368 -10.133) 13.653 8.950 ( -2.837 2.022 -15.900) 16.277 9.036 ( -3.894 0.604 -1.450) 4.199 9.206 ( -2.128 -2.766 -8.010) 8.737 9.490 ( -4.536 3.180 14.227) 15.267 9.642 ( -5.950 -8.780 10.087) 14.637 9.939 ( -1.042 -3.683 -3.151) 4.957 10.094 ( -4.400 0.408 -6.600) 7.943 10.392 ( 2.031 2.763 -0.960) 3.561 10.459 ( 1.679 5.062 1.562) 5.557 10.516 ( 2.436 -0.459 5.019) 5.598 10.593 ( -0.094 -5.993 1.210) 6.115 10.818 ( 0.518 -0.284 7.435) 7.458 10.874 ( 7.689 2.093 -5.165) 9.496 11.062 ( -8.742 -0.258 -8.292) 12.051 11.246 ( -0.078 0.687 -4.844) 4.893 11.590 ( 0.567 1.946 0.523) 2.093 11.700 ( 2.493 0.627 4.895) 5.529 11.907 ( 4.818 2.841 -8.820) 10.444 12.086 ( 2.336 1.108 -15.165) 15.384 12.282 ( 7.800 -1.081 9.235) 12.136 12.334 ( 5.581 -1.622 4.700) 7.475 12.552 ( 6.676 -1.877 -6.956) 9.822 12.789 ( 10.392 -0.751 -10.249) 14.615 13.200 ( -15.162 4.325 6.190) 16.938 13.234 ( -18.055 0.666 8.498) 19.966 13.461 ( -16.590 -2.566 -4.053) 17.270 13.819 ( -17.861 0.438 -12.440) 21.771 15.340 ( 9.648 -0.691 4.803) 10.799 15.351 ( 8.788 -1.394 4.836) 10.127 15.587 ( 1.122 3.057 -7.773) 8.428 15.703 ( -1.709 -7.352 -10.789) 13.167 19.612 ( -1.538 3.429 9.963) 10.648 19.671 ( -1.405 -0.435 6.878) 7.034 19.697 ( -1.370 -3.792 12.146) 12.798 19.930 ( -1.060 -0.465 13.529) 13.578 20.267 ( -4.838 4.110 -9.543) 11.462 20.488 ( 10.519 1.496 -11.080) 15.351 20.612 ( -2.346 -0.268 15.941) 16.115 21.562 ( -15.109 -0.931 -19.316) 24.540 22.356 ( 9.602 1.002 -3.835) 10.388 22.390 ( -2.079 -0.097 -2.404) 3.179 22.649 ( -6.492 -1.351 4.055) 7.773 22.879 ( -1.378 -0.191 -6.659) 6.803 23.581 ( 3.398 0.975 5.414) 6.466 23.614 ( 2.568 -0.982 5.124) 5.815 23.833 ( 2.460 2.712 -6.607) 7.554 23.900 ( 0.686 -2.501 -7.345) 7.789 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.43 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.355 -0.398 12.562) 12.574 1.570 ( -3.760 -1.886 11.321) 12.077 2.003 ( -1.068 4.916 -4.193) 6.549 2.042 ( -4.510 5.796 -7.398) 10.424 2.191 ( 9.301 -2.321 6.417) 11.535 2.340 ( -4.257 -0.345 4.878) 6.483 2.492 ( 2.625 0.560 -4.204) 4.988 2.537 ( 0.280 -0.689 -7.277) 7.315 2.749 ( 11.556 1.169 2.513) 11.884 2.827 ( 1.262 -5.883 5.621) 8.234 2.909 ( -5.325 2.369 -0.527) 5.853 2.988 ( -6.331 -0.971 -1.427) 6.562 3.152 ( 1.136 3.834 1.687) 4.341 3.229 ( -4.026 2.373 2.605) 5.350 3.403 ( 2.507 0.728 -6.214) 6.740 3.434 ( 0.256 0.024 -6.325) 6.330 3.581 ( 1.779 -0.901 -3.626) 4.138 3.618 ( -1.755 -2.069 -4.777) 5.494 3.650 ( -0.241 -3.342 -4.484) 5.598 3.685 ( -3.598 -7.172 -4.583) 9.240 4.249 ( 3.006 6.162 3.627) 7.756 4.289 ( 3.671 3.859 1.953) 5.673 4.415 ( -5.656 0.997 1.137) 5.855 4.448 ( -6.661 -1.825 0.615) 6.934 4.690 ( 4.103 1.383 3.230) 5.402 4.755 ( -2.323 1.545 1.016) 2.969 4.798 ( 2.569 -3.387 1.066) 4.383 4.825 ( -0.122 -4.873 -1.499) 5.100 5.444 ( 9.204 1.770 -4.101) 10.230 5.614 ( -4.436 3.497 -3.806) 6.811 5.668 ( 3.469 4.779 -9.684) 11.343 5.850 ( -11.186 6.707 -8.784) 15.725 6.034 ( 4.613 -6.538 6.194) 10.118 6.138 ( -5.674 -5.940 6.807) 10.669 6.230 ( 5.320 -2.149 0.589) 5.768 6.314 ( -2.946 -0.997 1.848) 3.618 6.826 ( 0.663 2.723 8.143) 8.612 6.848 ( -1.319 1.584 3.735) 4.266 7.132 ( 5.038 7.164 -1.797) 8.940 7.203 ( -2.420 9.501 -6.809) 11.937 7.447 ( 6.999 -7.053 8.912) 13.347 7.511 ( 0.508 -9.068 6.828) 11.362 7.673 ( 6.181 -1.248 -2.123) 6.654 7.761 ( -2.815 -0.668 9.533) 9.962 7.817 ( -1.866 -3.885 5.614) 7.077 7.882 ( -8.120 -4.677 6.414) 11.356 8.493 ( 5.041 8.744 -4.047) 10.874 8.532 ( 1.698 8.097 -2.888) 8.763 8.812 ( 7.390 -1.006 -2.419) 7.841 8.944 ( -5.315 2.405 -1.765) 6.095 8.956 ( 3.672 1.395 -18.321) 18.738 9.093 ( -8.384 2.931 -13.115) 15.839 9.449 ( 1.032 -4.974 14.409) 15.278 9.519 ( -5.587 -10.236 13.161) 17.584 9.954 ( 2.041 -2.711 -2.998) 4.528 10.011 ( -3.748 -1.311 -4.241) 5.809 10.412 ( 0.973 0.501 -0.492) 1.200 10.447 ( -2.410 -2.103 1.157) 3.402 10.631 ( 9.134 2.978 -0.801) 9.640 10.665 ( 6.282 -0.562 0.722) 6.348 10.775 ( -4.627 1.642 6.352) 8.029 10.850 ( -10.673 -0.106 -11.482) 15.677 11.052 ( 8.183 2.115 -6.509) 10.668 11.195 ( -5.495 1.970 -7.233) 9.294 11.643 ( 4.363 -0.794 6.818) 8.134 11.713 ( -1.749 -0.434 7.209) 7.430 12.002 ( 4.554 4.677 -11.270) 13.024 12.073 ( -2.504 4.189 -12.043) 12.994 12.432 ( 6.855 -1.078 9.624) 11.865 12.465 ( 4.919 -4.009 10.609) 12.362 12.772 ( 14.662 -2.352 -8.775) 17.248 12.886 ( -6.159 1.512 3.511) 7.248 12.939 ( -10.708 -0.070 7.996) 13.364 13.082 ( 3.346 -0.574 -14.346) 14.742 13.129 ( -7.916 -1.523 -5.742) 9.898 13.442 ( -19.523 1.216 -12.290) 23.101 15.494 ( 6.270 0.203 1.074) 6.365 15.520 ( 7.591 -2.267 -0.418) 7.934 15.579 ( -2.243 1.499 -3.608) 4.505 15.641 ( -4.689 -4.385 -5.455) 8.424 19.591 ( -0.163 1.246 10.333) 10.410 19.613 ( -2.438 -0.973 11.088) 11.395 19.741 ( 4.120 0.058 6.321) 7.546 19.844 ( -6.018 0.556 8.352) 10.309 20.308 ( 7.660 2.553 2.454) 8.439 20.488 ( -9.154 1.228 11.493) 14.745 20.789 ( 18.376 -0.173 -11.009) 21.422 21.181 ( -20.967 -0.861 -12.316) 24.332 22.392 ( 3.833 -0.741 1.840) 4.316 22.506 ( -6.851 -0.902 4.000) 7.985 22.608 ( 11.298 0.373 -10.556) 15.466 22.792 ( -7.139 0.248 -9.791) 12.120 23.632 ( 1.703 0.234 5.004) 5.290 23.644 ( 0.485 -0.344 4.940) 4.976 23.879 ( 1.942 1.085 -6.564) 6.931 23.903 ( -0.492 -0.920 -6.849) 6.928 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.000 0.000 -9.835) 9.835 1.769 ( 0.000 0.000 9.835) 9.835 1.967 ( 0.000 0.000 -11.915) 11.915 1.967 ( 0.000 0.000 11.915) 11.915 2.393 ( 0.000 0.000 -7.952) 7.952 2.393 ( 0.000 0.000 7.952) 7.952 2.541 ( 0.000 0.000 -0.964) 0.964 2.541 ( 0.000 0.000 0.964) 0.964 2.709 ( 0.000 0.000 -3.409) 3.409 2.709 ( 0.000 0.000 3.409) 3.409 2.775 ( 0.000 0.000 -7.994) 7.994 2.775 ( 0.000 0.000 7.994) 7.994 3.313 ( 0.000 0.000 -6.501) 6.501 3.313 ( 0.000 0.000 6.501) 6.501 3.321 ( 0.000 0.000 -6.524) 6.524 3.321 ( 0.000 0.000 6.524) 6.524 4.011 ( 0.000 0.000 -0.572) 0.572 4.011 ( 0.000 0.000 0.572) 0.572 4.050 ( 0.000 0.000 -7.124) 7.124 4.050 ( 0.000 0.000 7.124) 7.124 4.136 ( 0.000 0.000 -8.040) 8.040 4.136 ( 0.000 0.000 8.040) 8.040 4.360 ( 0.000 0.000 -2.893) 2.893 4.360 ( 0.000 0.000 2.893) 2.893 4.625 ( 0.000 0.000 -12.076) 12.076 4.625 ( 0.000 0.000 12.076) 12.076 4.689 ( 0.000 0.000 -10.968) 10.968 4.689 ( 0.000 0.000 10.968) 10.968 5.111 ( 0.000 0.000 -0.163) 0.163 5.111 ( 0.000 0.000 0.163) 0.163 6.003 ( 0.000 0.000 -3.312) 3.312 6.003 ( 0.000 0.000 3.312) 3.312 6.108 ( 0.000 0.000 -5.443) 5.443 6.108 ( 0.000 0.000 5.443) 5.443 6.499 ( 0.000 0.000 -0.558) 0.558 6.499 ( 0.000 0.000 0.558) 0.558 6.840 ( 0.000 0.000 -6.957) 6.957 6.840 ( 0.000 0.000 6.957) 6.957 7.147 ( 0.000 0.000 -2.681) 2.681 7.147 ( 0.000 0.000 2.681) 2.681 7.203 ( 0.000 0.000 -6.669) 6.669 7.203 ( 0.000 0.000 6.669) 6.669 7.813 ( 0.000 0.000 -10.171) 10.171 7.813 ( 0.000 0.000 10.171) 10.171 7.891 ( 0.000 0.000 -10.910) 10.910 7.891 ( 0.000 0.000 10.910) 10.910 8.067 ( 0.000 0.000 -11.618) 11.618 8.067 ( 0.000 0.000 11.618) 11.618 9.014 ( 0.000 0.000 -14.690) 14.690 9.014 ( 0.000 0.000 14.690) 14.690 9.042 ( 0.000 0.000 -4.785) 4.785 9.042 ( 0.000 0.000 4.785) 4.785 9.950 ( 0.000 0.000 -13.367) 13.367 9.950 ( 0.000 0.000 13.367) 13.367 9.973 ( 0.000 0.000 -3.399) 3.399 9.973 ( 0.000 0.000 3.399) 3.399 10.234 ( 0.000 0.000 -2.926) 2.926 10.234 ( 0.000 0.000 2.926) 2.926 10.653 ( 0.000 0.000 -6.429) 6.429 10.653 ( 0.000 0.000 6.429) 6.429 11.027 ( 0.000 0.000 -11.258) 11.258 11.027 ( 0.000 0.000 11.258) 11.258 11.118 ( 0.000 0.000 -3.426) 3.426 11.118 ( 0.000 0.000 3.426) 3.426 11.319 ( 0.000 0.000 -1.229) 1.229 11.319 ( 0.000 0.000 1.229) 1.229 11.732 ( 0.000 0.000 -1.340) 1.340 11.732 ( 0.000 0.000 1.340) 1.340 12.420 ( 0.000 0.000 -0.816) 0.816 12.420 ( 0.000 0.000 0.816) 0.816 12.521 ( 0.000 0.000 -14.612) 14.612 12.521 ( 0.000 0.000 14.612) 14.612 13.327 ( 0.000 0.000 -12.193) 12.193 13.327 ( 0.000 0.000 12.193) 12.193 14.184 ( 0.000 0.000 -11.387) 11.387 14.184 ( 0.000 0.000 11.387) 11.387 15.178 ( 0.000 0.000 -9.837) 9.837 15.178 ( 0.000 0.000 9.837) 9.837 15.640 ( 0.000 0.000 -18.766) 18.766 15.640 ( 0.000 0.000 18.766) 18.766 19.727 ( 0.000 0.000 -3.894) 3.894 19.727 ( 0.000 0.000 3.894) 3.894 19.828 ( 0.000 0.000 -8.200) 8.200 19.828 ( 0.000 0.000 8.200) 8.200 20.670 ( 0.000 0.000 -2.698) 2.698 20.670 ( 0.000 0.000 2.698) 2.698 20.753 ( 0.000 0.000 -27.319) 27.319 20.753 ( 0.000 0.000 27.319) 27.319 22.631 ( 0.000 0.000 -3.738) 3.738 22.631 ( 0.000 0.000 3.738) 3.738 22.641 ( 0.000 0.000 -0.084) 0.084 22.641 ( 0.000 0.000 0.084) 0.084 23.574 ( 0.000 0.000 -6.897) 6.897 23.574 ( 0.000 0.000 6.897) 6.897 23.766 ( 0.000 0.000 -9.272) 9.272 23.766 ( 0.000 0.000 9.272) 9.272 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -2.877 0.000 -3.526) 4.551 1.748 ( -2.877 0.000 3.526) 4.551 2.028 ( 6.486 0.000 -7.237) 9.718 2.028 ( 6.486 0.000 7.237) 9.718 2.343 ( -6.100 0.000 -7.611) 9.753 2.343 ( -6.100 0.000 7.611) 9.753 2.498 ( -3.019 0.000 -0.378) 3.043 2.498 ( -3.019 0.000 0.378) 3.043 2.632 ( -3.418 0.000 -0.734) 3.496 2.632 ( -3.418 0.000 0.734) 3.496 2.887 ( 7.732 0.000 -4.648) 9.021 2.887 ( 7.732 0.000 4.648) 9.021 3.319 ( -1.222 0.000 -5.465) 5.600 3.319 ( -1.222 0.000 5.465) 5.600 3.381 ( 6.429 0.000 -5.425) 8.412 3.381 ( 6.429 0.000 5.425) 8.412 3.783 ( -11.657 0.000 -1.154) 11.713 3.783 ( -11.657 0.000 1.154) 11.713 3.963 ( -11.849 0.000 -3.599) 12.384 3.963 ( -11.849 0.000 3.599) 12.384 4.209 ( 0.140 0.000 -8.097) 8.098 4.209 ( 0.140 0.000 8.097) 8.098 4.407 ( 7.885 0.000 -4.881) 9.273 4.407 ( 7.885 0.000 4.881) 9.273 4.659 ( -3.485 0.000 -6.201) 7.113 4.659 ( -3.485 0.000 6.201) 7.113 4.729 ( 7.550 0.000 -5.047) 9.081 4.729 ( 7.550 0.000 5.047) 9.081 5.143 ( 3.339 0.000 -0.033) 3.339 5.143 ( 3.339 0.000 0.033) 3.339 5.939 ( -6.156 0.000 -3.907) 7.291 5.939 ( -6.156 0.000 3.907) 7.291 6.141 ( 3.026 0.000 -4.424) 5.360 6.141 ( 3.026 0.000 4.424) 5.360 6.489 ( -1.022 0.000 -1.255) 1.619 6.489 ( -1.022 0.000 1.255) 1.619 6.826 ( -1.329 0.000 -4.061) 4.273 6.826 ( -1.329 0.000 4.061) 4.273 6.987 ( -7.527 0.000 -1.608) 7.697 6.987 ( -7.527 0.000 1.608) 7.697 7.420 ( 13.090 0.000 -5.709) 14.281 7.420 ( 13.090 0.000 5.709) 14.281 7.829 ( 1.578 0.000 -7.169) 7.340 7.829 ( 1.578 0.000 7.169) 7.340 7.908 ( 1.726 0.000 -11.141) 11.274 7.908 ( 1.726 0.000 11.141) 11.274 8.084 ( 1.600 0.000 -13.524) 13.618 8.084 ( 1.600 0.000 13.524) 13.618 8.905 ( -7.850 0.000 -10.606) 13.196 8.905 ( -7.850 0.000 10.606) 13.196 9.043 ( -2.427 0.000 -5.926) 6.404 9.043 ( -2.427 0.000 5.926) 6.404 9.918 ( -0.958 0.000 -5.026) 5.116 9.918 ( -0.958 0.000 5.026) 5.116 10.036 ( 4.044 0.000 -10.509) 11.261 10.036 ( 4.044 0.000 10.509) 11.261 10.229 ( 0.069 0.000 -2.909) 2.910 10.229 ( 0.069 0.000 2.909) 2.910 10.662 ( 0.533 0.000 -6.004) 6.027 10.662 ( 0.533 0.000 6.004) 6.027 10.962 ( -5.675 0.000 -9.591) 11.144 10.962 ( -5.675 0.000 9.591) 11.144 11.112 ( -1.654 0.000 -4.308) 4.615 11.112 ( -1.654 0.000 4.308) 4.615 11.386 ( 6.209 0.000 -0.321) 6.218 11.386 ( 6.209 0.000 0.321) 6.218 11.769 ( 3.493 0.000 -2.295) 4.179 11.769 ( 3.493 0.000 2.295) 4.179 12.416 ( 0.266 0.000 -1.243) 1.271 12.416 ( 0.266 0.000 1.243) 1.271 12.560 ( 3.789 0.000 -14.715) 15.196 12.560 ( 3.789 0.000 14.715) 15.196 13.267 ( -5.786 0.000 -11.911) 13.242 13.267 ( -5.786 0.000 11.911) 13.242 14.009 ( -16.091 0.000 -9.549) 18.711 14.009 ( -16.091 0.000 9.549) 18.711 15.274 ( 8.136 0.000 -7.164) 10.841 15.274 ( 8.136 0.000 7.164) 10.841 15.645 ( 0.400 0.000 -16.861) 16.865 15.645 ( 0.400 0.000 16.861) 16.865 19.686 ( -2.006 0.000 -2.680) 3.347 19.686 ( -2.006 0.000 2.680) 3.347 19.936 ( 8.475 0.000 -7.129) 11.074 19.936 ( 8.475 0.000 7.129) 11.074 20.341 ( -17.083 0.000 -5.511) 17.950 20.341 ( -17.083 0.000 5.511) 17.950 21.025 ( 10.729 0.000 -24.803) 27.024 21.025 ( 10.729 0.000 24.803) 27.024 22.419 ( -9.445 0.000 -4.582) 10.497 22.419 ( -9.445 0.000 4.582) 10.497 22.786 ( 3.690 0.000 -1.635) 4.036 22.786 ( 3.690 0.000 1.635) 4.036 23.590 ( 1.889 0.000 -6.025) 6.314 23.590 ( 1.889 0.000 6.025) 6.314 23.777 ( 0.944 0.000 -8.823) 8.873 23.777 ( 0.944 0.000 8.823) 8.873 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -4.170 0.000 -3.049) 5.165 1.665 ( -4.170 0.000 3.049) 5.165 2.090 ( -11.099 0.000 -5.615) 12.439 2.090 ( -11.099 0.000 5.615) 12.439 2.256 ( 8.460 0.000 -0.050) 8.460 2.256 ( 8.460 0.000 0.050) 8.460 2.481 ( 1.365 0.000 -3.821) 4.057 2.481 ( 1.365 0.000 3.821) 4.057 2.604 ( 0.318 0.000 -2.659) 2.678 2.604 ( 0.318 0.000 2.659) 2.678 3.048 ( 7.927 0.000 -7.757) 11.091 3.048 ( 7.927 0.000 7.757) 11.091 3.216 ( -9.538 0.000 -3.214) 10.065 3.216 ( -9.538 0.000 3.214) 10.065 3.546 ( 9.832 0.000 -0.259) 9.835 3.546 ( 9.832 0.000 0.259) 9.835 3.578 ( -10.119 0.000 -5.214) 11.383 3.578 ( -10.119 0.000 5.214) 11.383 3.787 ( -3.526 0.000 -2.654) 4.413 3.787 ( -3.526 0.000 2.654) 4.413 4.142 ( -4.292 0.000 -4.009) 5.873 4.142 ( -4.292 0.000 4.009) 5.873 4.501 ( -9.696 0.000 -5.497) 11.146 4.501 ( -9.696 0.000 5.497) 11.146 4.622 ( 9.491 0.000 -0.239) 9.494 4.622 ( 9.491 0.000 0.239) 9.494 4.865 ( 5.132 0.000 -3.805) 6.388 4.865 ( 5.132 0.000 3.805) 6.388 5.235 ( 5.882 0.000 -1.614) 6.099 5.235 ( 5.882 0.000 1.614) 6.099 5.779 ( -9.799 0.000 -4.456) 10.764 5.779 ( -9.799 0.000 4.456) 10.764 6.213 ( 4.210 0.000 -2.556) 4.925 6.213 ( 4.210 0.000 2.556) 4.925 6.459 ( -2.088 0.000 -1.503) 2.573 6.459 ( -2.088 0.000 1.503) 2.573 6.794 ( -1.609 0.000 -0.566) 1.706 6.794 ( -1.609 0.000 0.566) 1.706 6.873 ( -4.287 0.000 -1.691) 4.609 6.873 ( -4.287 0.000 1.691) 4.609 7.673 ( 12.093 0.000 -3.640) 12.629 7.673 ( 12.093 0.000 3.640) 12.629 7.873 ( 2.839 0.000 -3.509) 4.513 7.873 ( 2.839 0.000 3.509) 4.513 7.950 ( 2.242 0.000 -8.690) 8.975 7.950 ( 2.242 0.000 8.690) 8.975 8.116 ( 1.013 0.000 -13.165) 13.204 8.116 ( 1.013 0.000 13.165) 13.204 8.754 ( -6.303 0.000 -5.227) 8.188 8.754 ( -6.303 0.000 5.227) 8.188 8.950 ( -6.557 0.000 -2.424) 6.991 8.950 ( -6.557 0.000 2.424) 6.991 9.929 ( 2.108 0.000 -2.495) 3.266 9.929 ( 2.108 0.000 2.495) 3.266 10.093 ( 0.819 0.000 -9.192) 9.228 10.093 ( 0.819 0.000 9.192) 9.228 10.274 ( 5.407 0.000 -2.643) 6.019 10.274 ( 5.407 0.000 2.643) 6.019 10.673 ( 0.901 0.000 -6.375) 6.438 10.673 ( 0.901 0.000 6.375) 6.438 10.824 ( -8.116 0.000 -8.897) 12.043 10.824 ( -8.116 0.000 8.897) 12.043 11.032 ( -6.445 0.000 -8.969) 11.045 11.032 ( -6.445 0.000 8.969) 11.045 11.533 ( 8.143 0.000 -0.510) 8.159 11.533 ( 8.143 0.000 0.510) 8.159 11.836 ( 1.844 0.000 -5.611) 5.906 11.836 ( 1.844 0.000 5.611) 5.906 12.478 ( 7.517 0.000 -0.517) 7.534 12.478 ( 7.517 0.000 0.517) 7.534 12.662 ( 6.381 0.000 -14.522) 15.862 12.662 ( 6.381 0.000 14.522) 15.862 13.121 ( -8.578 0.000 -11.359) 14.235 13.121 ( -8.578 0.000 11.359) 14.235 13.620 ( -22.272 0.000 -7.624) 23.541 13.620 ( -22.272 0.000 7.624) 23.541 15.439 ( 7.906 0.000 -3.137) 8.506 15.439 ( 7.906 0.000 3.137) 8.506 15.650 ( -0.081 0.000 -12.109) 12.109 15.650 ( -0.081 0.000 12.109) 12.109 19.670 ( 0.481 0.000 -3.836) 3.867 19.670 ( 0.481 0.000 3.836) 3.867 19.988 ( -9.413 0.000 -1.565) 9.543 19.988 ( -9.413 0.000 1.565) 9.543 20.210 ( 10.249 0.000 -11.742) 15.586 20.210 ( 10.249 0.000 11.742) 15.586 21.071 ( -6.479 0.000 -25.983) 26.778 21.071 ( -6.479 0.000 25.983) 26.778 22.338 ( 1.962 0.000 -2.750) 3.379 22.338 ( 1.962 0.000 2.750) 3.379 22.774 ( -4.424 0.000 -4.438) 6.266 22.774 ( -4.424 0.000 4.438) 6.266 23.650 ( 3.903 0.000 -4.962) 6.313 23.650 ( 3.903 0.000 4.962) 6.313 23.791 ( 0.198 0.000 -7.736) 7.738 23.791 ( 0.198 0.000 7.736) 7.738 ======================= Grid point 146 (52/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 3.798 0.000 -3.229) 4.986 1.649 ( 3.798 0.000 3.229) 4.986 1.821 ( -12.874 0.000 -2.387) 13.094 1.821 ( -12.874 0.000 2.387) 13.094 2.437 ( 6.372 0.000 -1.878) 6.643 2.437 ( 6.372 0.000 1.878) 6.643 2.505 ( -0.811 0.000 -5.224) 5.287 2.505 ( -0.811 0.000 5.224) 5.287 2.691 ( 10.416 0.000 -5.072) 11.586 2.691 ( 10.416 0.000 5.072) 11.586 2.953 ( -14.159 0.000 -0.601) 14.172 2.953 ( -14.159 0.000 0.601) 14.172 3.217 ( 7.580 0.000 -10.052) 12.589 3.217 ( 7.580 0.000 10.052) 12.589 3.380 ( -9.309 0.000 -9.668) 13.421 3.380 ( -9.309 0.000 9.668) 13.421 3.741 ( 7.950 0.000 -2.002) 8.198 3.741 ( 7.950 0.000 2.002) 8.198 3.794 ( 1.560 0.000 -3.659) 3.978 3.794 ( 1.560 0.000 3.659) 3.978 4.096 ( 1.601 0.000 -0.969) 1.871 4.096 ( 1.601 0.000 0.969) 1.871 4.258 ( -12.828 0.000 -5.000) 13.768 4.258 ( -12.828 0.000 5.000) 13.768 4.804 ( 7.863 0.000 -2.938) 8.394 4.804 ( 7.863 0.000 2.938) 8.394 4.903 ( -1.677 0.000 -3.704) 4.066 4.903 ( -1.677 0.000 3.704) 4.066 5.376 ( 8.591 0.000 -3.715) 9.360 5.376 ( 8.591 0.000 3.716) 9.360 5.570 ( -10.882 0.000 -4.451) 11.757 5.570 ( -10.882 0.000 4.451) 11.757 6.307 ( 5.152 0.000 -0.492) 5.175 6.307 ( 5.152 0.000 0.492) 5.175 6.400 ( -4.041 0.000 -0.116) 4.043 6.400 ( -4.041 0.000 0.116) 4.043 6.779 ( 0.334 0.000 -0.016) 0.335 6.779 ( 0.334 0.000 0.016) 0.335 6.808 ( -2.491 0.000 -2.265) 3.367 6.808 ( -2.491 0.000 2.265) 3.367 7.867 ( 6.780 0.000 -2.505) 7.228 7.867 ( 6.780 0.000 2.505) 7.228 7.921 ( 0.852 0.000 -4.568) 4.647 7.921 ( 0.852 0.000 4.568) 4.647 7.999 ( 3.629 0.000 -1.975) 4.132 7.999 ( 3.629 0.000 1.975) 4.132 8.090 ( -3.982 0.000 -3.482) 5.290 8.090 ( -3.982 0.000 3.482) 5.290 8.707 ( 2.026 0.000 -2.488) 3.209 8.707 ( 2.026 0.000 2.488) 3.209 8.809 ( -7.161 0.000 -1.930) 7.416 8.809 ( -7.161 0.000 1.930) 7.416 9.994 ( 4.048 0.000 -3.505) 5.355 9.994 ( 4.048 0.000 3.505) 5.355 10.067 ( -2.986 0.000 -6.052) 6.749 10.067 ( -2.986 0.000 6.052) 6.749 10.431 ( 9.720 0.000 -2.383) 10.007 10.431 ( 9.720 0.000 2.383) 10.007 10.624 ( -9.065 0.000 -7.639) 11.854 10.624 ( -9.065 0.000 7.639) 11.854 10.746 ( 4.022 0.000 -9.619) 10.427 10.746 ( 4.022 0.000 9.619) 10.427 10.878 ( -8.348 0.000 -12.507) 15.037 10.878 ( -8.348 0.000 12.507) 15.037 11.688 ( 7.384 0.000 -0.519) 7.402 11.688 ( 7.384 0.000 0.519) 7.402 11.808 ( -4.369 0.000 -2.830) 5.205 11.808 ( -4.369 0.000 2.830) 5.205 12.722 ( 15.114 0.000 -3.268) 15.463 12.722 ( 15.114 0.000 3.268) 15.463 12.814 ( 9.960 0.000 -10.946) 14.800 12.814 ( 9.960 0.000 10.946) 14.800 12.949 ( -8.345 0.000 -10.638) 13.521 12.949 ( -8.345 0.000 10.638) 13.521 13.174 ( -22.229 0.000 -4.914) 22.766 13.174 ( -22.229 0.000 4.914) 22.766 15.567 ( 4.919 0.000 -1.201) 5.064 15.567 ( 4.919 0.000 1.201) 5.064 15.633 ( -1.939 0.000 -6.411) 6.698 15.633 ( -1.939 0.000 6.411) 6.698 19.707 ( 3.375 0.000 -4.902) 5.951 19.707 ( 3.375 0.000 4.902) 5.951 19.810 ( -7.258 0.000 -4.630) 8.610 19.810 ( -7.258 0.000 4.630) 8.610 20.494 ( 16.628 0.000 -16.264) 23.259 20.494 ( 16.628 0.000 16.264) 23.259 20.827 ( -16.307 0.000 -21.040) 26.619 20.827 ( -16.307 0.000 21.040) 26.619 22.460 ( 8.821 0.000 -2.438) 9.152 22.460 ( 8.821 0.000 2.438) 9.152 22.639 ( -8.675 0.000 -4.842) 9.935 22.639 ( -8.675 0.000 4.842) 9.935 23.726 ( 3.496 0.000 -5.307) 6.355 23.726 ( 3.496 0.000 5.307) 6.355 23.778 ( -1.657 0.000 -6.439) 6.649 23.778 ( -1.657 0.000 6.439) 6.649 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.000 4.297 -9.595) 10.514 1.808 ( 0.000 4.297 9.595) 10.514 2.018 ( 0.000 4.282 -10.752) 11.573 2.018 ( 0.000 4.282 10.752) 11.573 2.365 ( 0.000 -2.335 -8.171) 8.498 2.365 ( 0.000 -2.335 8.171) 8.498 2.518 ( 0.000 -2.427 -1.822) 3.034 2.518 ( 0.000 -2.427 1.822) 3.034 2.748 ( 0.000 3.873 -3.248) 5.055 2.748 ( 0.000 3.873 3.248) 5.055 2.787 ( 0.000 1.168 -7.584) 7.673 2.787 ( 0.000 1.168 7.584) 7.673 3.241 ( 0.000 -7.361 -8.265) 11.067 3.241 ( 0.000 -7.361 8.265) 11.067 3.268 ( 0.000 -4.732 -4.340) 6.420 3.268 ( 0.000 -4.732 4.340) 6.420 3.942 ( 0.000 -4.465 -3.538) 5.697 3.942 ( 0.000 -4.465 3.538) 5.697 4.043 ( 0.000 -1.033 -10.914) 10.963 4.043 ( 0.000 -1.033 10.914) 10.963 4.171 ( 0.000 2.782 -8.118) 8.582 4.171 ( 0.000 2.782 8.118) 8.582 4.343 ( 0.000 -2.533 -5.393) 5.958 4.343 ( 0.000 -2.533 5.393) 5.958 4.665 ( 0.000 4.455 -7.388) 8.627 4.665 ( 0.000 4.455 7.388) 8.627 4.748 ( 0.000 4.553 -8.929) 10.023 4.748 ( 0.000 4.553 8.929) 10.023 5.206 ( 0.000 9.903 -1.062) 9.959 5.206 ( 0.000 9.903 1.062) 9.959 6.013 ( 0.000 -9.511 -7.664) 12.214 6.013 ( 0.000 -9.511 7.664) 12.214 6.057 ( 0.000 5.393 -3.001) 6.171 6.057 ( 0.000 5.393 3.001) 6.171 6.478 ( 0.000 -3.775 -1.872) 4.214 6.478 ( 0.000 -3.775 1.872) 4.214 6.858 ( 0.000 3.136 -6.453) 7.175 6.858 ( 0.000 3.136 6.453) 7.175 7.147 ( 0.000 -5.085 -5.611) 7.573 7.147 ( 0.000 -5.085 5.611) 7.573 7.189 ( 0.000 4.658 -2.139) 5.126 7.189 ( 0.000 4.658 2.139) 5.126 7.763 ( 0.000 -6.864 -8.550) 10.965 7.763 ( 0.000 -6.864 8.550) 10.965 7.938 ( 0.000 5.484 -3.145) 6.322 7.938 ( 0.000 5.484 3.145) 6.322 8.090 ( 0.000 1.806 -12.772) 12.900 8.090 ( 0.000 1.806 12.772) 12.900 9.009 ( 0.000 -0.298 -14.814) 14.817 9.009 ( 0.000 -0.298 14.814) 14.817 9.033 ( 0.000 -0.624 -11.026) 11.043 9.033 ( 0.000 -0.624 11.026) 11.043 9.932 ( 0.000 -1.754 -14.079) 14.187 9.932 ( 0.000 -1.754 14.079) 14.187 9.967 ( 0.000 -1.707 -8.325) 8.498 9.967 ( 0.000 -1.707 8.325) 8.498 10.251 ( 0.000 3.424 -4.087) 5.332 10.251 ( 0.000 3.424 4.087) 5.332 10.645 ( 0.000 -1.641 -3.730) 4.075 10.645 ( 0.000 -1.641 3.730) 4.075 11.021 ( 0.000 -0.617 -11.531) 11.548 11.021 ( 0.000 -0.617 11.531) 11.548 11.058 ( 0.000 -4.854 -9.725) 10.869 11.058 ( 0.000 -4.854 9.725) 10.869 11.414 ( 0.000 9.128 -5.134) 10.473 11.414 ( 0.000 9.128 5.134) 10.473 11.765 ( 0.000 2.294 -4.046) 4.652 11.765 ( 0.000 2.294 4.046) 4.652 12.376 ( 0.000 -4.078 -4.822) 6.315 12.376 ( 0.000 -4.078 4.822) 6.315 12.456 ( 0.000 -5.739 -11.616) 12.956 12.456 ( 0.000 -5.739 11.616) 12.956 13.460 ( 0.000 12.704 -8.587) 15.334 13.460 ( 0.000 12.704 8.587) 15.334 14.139 ( 0.000 -4.862 -11.004) 12.031 14.139 ( 0.000 -4.862 11.004) 12.031 15.193 ( 0.000 1.781 -10.105) 10.261 15.193 ( 0.000 1.781 10.105) 10.261 15.561 ( 0.000 -7.790 -17.097) 18.788 15.561 ( 0.000 -7.790 17.097) 18.788 19.758 ( 0.000 2.905 -4.838) 5.643 19.758 ( 0.000 2.905 4.838) 5.643 19.835 ( 0.000 0.565 -7.182) 7.205 19.835 ( 0.000 0.565 7.182) 7.205 20.662 ( 0.000 -0.630 -6.508) 6.538 20.662 ( 0.000 -0.630 6.508) 6.538 20.734 ( 0.000 -1.975 -26.206) 26.280 20.734 ( 0.000 -1.975 26.206) 26.280 22.644 ( 0.000 1.128 -3.458) 3.637 22.644 ( 0.000 1.128 3.458) 3.637 22.648 ( 0.000 0.688 -0.905) 1.137 22.648 ( 0.000 0.688 0.905) 1.137 23.586 ( 0.000 1.356 -7.160) 7.287 23.586 ( 0.000 1.356 7.160) 7.287 23.744 ( 0.000 -2.264 -9.116) 9.393 23.744 ( 0.000 -2.264 9.116) 9.393 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -1.633 5.777 -5.076) 7.862 1.805 ( -1.633 5.777 5.076) 7.862 2.043 ( 3.575 1.285 -6.967) 7.936 2.043 ( 3.575 1.285 6.967) 7.936 2.309 ( -6.003 -3.440 -7.282) 10.045 2.309 ( -6.003 -3.440 7.282) 10.045 2.533 ( 0.950 3.097 -3.847) 5.030 2.533 ( 0.950 3.097 3.847) 5.030 2.616 ( -5.816 -0.941 -2.314) 6.330 2.616 ( -5.816 -0.941 2.314) 6.330 2.920 ( 7.517 3.153 -5.910) 10.069 2.920 ( 7.517 3.153 5.910) 10.069 3.233 ( 0.095 -7.877 -5.434) 9.570 3.233 ( 0.095 -7.877 5.434) 9.570 3.343 ( 5.383 -4.126 -5.677) 8.845 3.343 ( 5.383 -4.126 5.677) 8.845 3.768 ( -10.607 -1.339 -3.285) 11.184 3.768 ( -10.607 -1.339 3.285) 11.184 3.926 ( -11.234 -3.116 -5.642) 12.951 3.926 ( -11.234 -3.116 5.642) 12.951 4.242 ( 1.770 3.576 -8.839) 9.698 4.242 ( 1.770 3.576 8.839) 9.698 4.407 ( 5.709 -0.028 -4.991) 7.583 4.407 ( 5.709 -0.028 4.991) 7.583 4.694 ( 3.524 -1.396 -5.927) 7.035 4.694 ( 3.524 -1.396 5.927) 7.035 4.747 ( -0.994 5.455 -6.740) 8.728 4.747 ( -0.994 5.455 6.740) 8.728 5.225 ( 2.064 8.481 -1.606) 8.875 5.225 ( 2.064 8.481 1.606) 8.875 5.969 ( -5.620 0.649 -5.689) 8.023 5.969 ( -5.620 0.649 5.689) 8.023 6.074 ( 2.798 -4.360 -4.447) 6.828 6.074 ( 2.798 -4.360 4.447) 6.828 6.457 ( -1.928 -4.187 -1.668) 4.903 6.457 ( -1.928 -4.187 1.668) 4.903 6.863 ( 0.292 4.347 -3.927) 5.865 6.863 ( 0.292 4.347 3.927) 5.865 7.031 ( -5.656 4.097 -1.686) 7.185 7.031 ( -5.656 4.097 1.686) 7.185 7.346 ( 9.840 -5.409 -5.278) 12.407 7.346 ( 9.840 -5.409 5.278) 12.407 7.786 ( 2.232 -6.325 -8.651) 10.946 7.786 ( 2.232 -6.325 8.651) 10.946 7.970 ( 2.931 6.121 -4.757) 8.288 7.970 ( 2.931 6.121 4.757) 8.288 8.124 ( 3.201 3.737 -13.041) 13.938 8.124 ( 3.201 3.737 13.041) 13.938 8.844 ( -10.056 -4.043 -14.105) 17.789 8.844 ( -10.056 -4.043 14.105) 17.789 9.091 ( -0.121 3.003 -8.192) 8.726 9.091 ( -0.121 3.003 8.192) 8.726 9.878 ( -2.767 -3.278 -11.379) 12.161 9.878 ( -2.767 -3.278 11.379) 12.161 10.008 ( 1.636 -3.822 -10.116) 10.937 10.008 ( 1.636 -3.822 10.116) 10.937 10.269 ( 2.105 5.108 -4.379) 7.049 10.269 ( 2.105 5.108 4.379) 7.049 10.654 ( 0.597 -1.535 -3.890) 4.224 10.654 ( 0.597 -1.535 3.890) 4.224 10.955 ( -4.981 -0.407 -7.302) 8.849 10.955 ( -4.981 -0.407 7.302) 8.849 11.079 ( 0.090 -3.088 -5.870) 6.634 11.079 ( 0.090 -3.088 5.870) 6.634 11.463 ( 4.790 7.847 -4.722) 10.335 11.463 ( 4.790 7.847 4.722) 10.335 11.792 ( 2.707 1.573 -4.480) 5.466 11.792 ( 2.707 1.573 4.480) 5.466 12.380 ( 1.012 -3.193 -3.058) 4.535 12.380 ( 1.012 -3.193 3.058) 4.535 12.504 ( 4.505 -5.296 -11.321) 13.286 12.504 ( 4.505 -5.296 11.321) 13.286 13.378 ( -7.930 10.656 -8.454) 15.745 13.378 ( -7.930 10.656 8.454) 15.745 13.973 ( -15.373 -3.893 -9.784) 18.633 13.973 ( -15.373 -3.893 9.784) 18.633 15.280 ( 7.493 0.927 -7.640) 10.741 15.280 ( 7.493 0.927 7.640) 10.741 15.575 ( 1.261 -6.835 -15.257) 16.766 15.575 ( 1.261 -6.835 15.257) 16.766 19.709 ( -2.271 2.078 -2.620) 4.042 19.709 ( -2.271 2.078 2.620) 4.042 19.947 ( 8.336 1.038 -6.339) 10.523 19.947 ( 8.336 1.038 6.339) 10.523 20.335 ( -16.543 -0.573 -7.449) 18.152 20.335 ( -16.543 -0.573 7.449) 18.152 21.012 ( 11.086 -1.217 -24.880) 27.265 21.012 ( 11.086 -1.217 24.880) 27.265 22.431 ( -9.668 1.105 -4.375) 10.670 22.431 ( -9.668 1.105 4.375) 10.670 22.784 ( 3.068 -0.168 -1.839) 3.581 22.784 ( 3.068 -0.168 1.839) 3.581 23.605 ( 2.056 1.575 -6.291) 6.803 23.605 ( 2.056 1.575 6.291) 6.803 23.758 ( 1.213 -1.978 -8.630) 8.936 23.758 ( 1.213 -1.978 8.630) 8.936 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -4.460 6.669 -4.556) 9.226 1.731 ( -4.460 6.669 4.556) 9.226 2.082 ( -9.787 -0.884 -7.774) 12.531 2.082 ( -9.787 -0.884 7.774) 12.531 2.214 ( 6.325 -3.782 -3.885) 8.331 2.214 ( 6.325 -3.782 3.885) 8.331 2.524 ( -0.363 0.335 -3.682) 3.715 2.524 ( -0.363 0.335 3.682) 3.715 2.603 ( 2.966 3.713 -5.514) 7.279 2.603 ( 2.966 3.713 5.514) 7.279 3.060 ( 5.980 0.647 -6.439) 8.811 3.060 ( 5.980 0.647 6.439) 8.811 3.194 ( -5.139 -2.553 -4.630) 7.373 3.194 ( -5.139 -2.553 4.630) 7.373 3.434 ( 1.249 -6.818 -1.878) 7.182 3.434 ( 1.249 -6.818 1.878) 7.182 3.599 ( -4.179 -0.598 -4.621) 6.259 3.599 ( -4.179 -0.598 4.621) 6.259 3.760 ( -3.609 -3.269 -3.954) 6.273 3.760 ( -3.609 -3.269 3.954) 6.273 4.193 ( -3.851 5.413 -4.079) 7.796 4.193 ( -3.851 5.413 4.079) 7.796 4.494 ( -2.106 0.310 -1.113) 2.402 4.494 ( -2.106 0.310 1.113) 2.402 4.696 ( 1.829 5.250 -4.028) 6.866 4.696 ( 1.829 5.250 4.028) 6.866 4.814 ( 5.157 -4.757 -2.997) 7.629 4.814 ( 5.157 -4.757 2.997) 7.629 5.288 ( 4.358 5.260 -3.629) 7.734 5.288 ( 4.358 5.260 3.629) 7.734 5.810 ( -10.107 2.616 -6.066) 12.074 5.810 ( -10.107 2.616 6.066) 12.074 6.151 ( 4.746 -5.521 -2.908) 7.840 6.151 ( 4.746 -5.521 2.908) 7.840 6.411 ( -2.699 -4.328 -1.199) 5.239 6.411 ( -2.699 -4.328 1.199) 5.239 6.863 ( -0.218 6.472 -2.181) 6.833 6.863 ( -0.218 6.472 2.181) 6.833 6.942 ( -3.459 6.226 -1.057) 7.201 6.942 ( -3.459 6.226 1.057) 7.201 7.545 ( 10.059 -8.916 -4.816) 14.278 7.545 ( 10.059 -8.916 4.816) 14.278 7.835 ( 2.079 -5.943 -8.112) 10.268 7.835 ( 2.079 -5.943 8.112) 10.268 8.035 ( 3.400 6.271 -8.435) 11.047 8.035 ( 3.400 6.271 8.435) 11.047 8.189 ( 2.013 7.417 -9.843) 12.488 8.189 ( 2.013 7.417 9.843) 12.488 8.682 ( -4.544 -4.893 -9.557) 11.659 8.682 ( -4.544 -4.893 9.557) 11.659 9.026 ( -6.074 5.185 -4.847) 9.342 9.026 ( -6.074 5.185 4.847) 9.342 9.853 ( 0.474 -6.214 -11.209) 12.825 9.853 ( 0.474 -6.214 11.209) 12.825 10.014 ( -1.076 -7.251 -8.647) 11.336 10.014 ( -1.076 -7.251 8.647) 11.336 10.340 ( 5.067 5.691 -3.553) 8.408 10.340 ( 5.067 5.691 3.553) 8.408 10.667 ( 0.653 -1.331 -5.312) 5.514 10.667 ( 0.653 -1.331 5.312) 5.514 10.836 ( -6.636 1.399 -8.017) 10.501 10.836 ( -6.636 1.399 8.017) 10.501 11.038 ( -4.372 0.252 -9.747) 10.686 11.038 ( -4.372 0.252 9.747) 10.686 11.587 ( 7.339 5.671 -3.480) 9.906 11.587 ( 7.339 5.671 3.480) 9.906 11.849 ( 1.909 0.816 -6.536) 6.858 11.849 ( 1.909 0.816 6.536) 6.858 12.452 ( 7.339 -2.184 -3.040) 8.239 12.452 ( 7.339 -2.184 3.040) 8.239 12.625 ( 7.765 -3.856 -11.829) 14.666 12.625 ( 7.765 -3.856 11.829) 14.666 13.178 ( -11.721 5.702 -8.228) 15.414 13.178 ( -11.721 5.702 8.228) 15.414 13.601 ( -21.342 -2.147 -8.823) 23.193 13.601 ( -21.342 -2.147 8.823) 23.193 15.434 ( 7.298 -0.350 -3.661) 8.172 15.434 ( 7.298 -0.350 3.661) 8.172 15.600 ( 0.969 -4.843 -10.788) 11.865 15.600 ( 0.969 -4.843 10.788) 11.865 19.689 ( 0.298 1.712 -3.092) 3.547 19.689 ( 0.298 1.712 3.092) 3.547 19.990 ( -9.145 0.171 -7.399) 11.765 19.990 ( -9.145 0.171 7.399) 11.765 20.219 ( 10.219 0.839 -11.853) 15.673 20.219 ( 10.219 0.839 11.853) 15.673 21.067 ( -6.051 -0.387 -25.601) 26.310 21.067 ( -6.051 -0.387 25.601) 26.310 22.342 ( 1.512 0.375 -2.325) 2.799 22.342 ( 1.512 0.375 2.325) 2.799 22.765 ( -4.543 -0.868 -4.739) 6.622 22.765 ( -4.543 -0.868 4.739) 6.622 23.664 ( 3.653 1.468 -5.261) 6.570 23.664 ( 3.653 1.468 5.261) 6.570 23.779 ( 0.605 -1.296 -7.533) 7.668 23.779 ( 0.605 -1.296 7.533) 7.668 ======================= Grid point 160 (56/60) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 2.473 4.849 -4.970) 7.371 1.699 ( 2.473 4.849 4.970) 7.371 1.841 ( -11.291 1.721 -4.485) 12.270 1.841 ( -11.291 1.721 4.485) 12.270 2.381 ( 7.789 -3.877 -3.445) 9.357 2.381 ( 7.789 -3.877 3.445) 9.357 2.496 ( -3.675 -2.209 -3.509) 5.540 2.496 ( -3.675 -2.209 3.509) 5.540 2.732 ( 10.561 4.114 -1.571) 11.442 2.732 ( 10.561 4.114 1.571) 11.442 2.974 ( -12.366 0.745 -3.554) 12.888 2.974 ( -12.366 0.745 3.554) 12.888 3.210 ( 5.837 0.074 -8.330) 10.172 3.210 ( 5.837 0.074 8.330) 10.172 3.335 ( -6.977 -2.885 -6.415) 9.907 3.335 ( -6.977 -2.885 6.415) 9.907 3.665 ( 5.968 -6.627 -1.681) 9.075 3.665 ( 5.968 -6.627 1.681) 9.075 3.739 ( -1.116 -5.516 -3.420) 6.585 3.739 ( -1.116 -5.516 3.420) 6.585 4.174 ( 3.517 7.155 -1.770) 8.167 4.174 ( 3.517 7.155 1.770) 8.167 4.331 ( -10.710 6.174 -3.745) 12.917 4.331 ( -10.710 6.174 3.745) 12.917 4.801 ( 5.867 -0.597 -2.838) 6.544 4.801 ( 5.867 -0.597 2.838) 6.544 4.868 ( -0.313 -3.472 -3.081) 4.653 4.868 ( -0.313 -3.472 3.081) 4.653 5.405 ( 7.886 2.868 -4.623) 9.580 5.405 ( 7.886 2.868 4.623) 9.580 5.595 ( -11.038 2.308 -5.224) 12.428 5.595 ( -11.038 2.308 5.224) 12.428 6.252 ( 5.247 -4.610 -3.239) 7.699 6.252 ( 5.247 -4.610 3.239) 7.699 6.346 ( -4.113 -4.334 -2.994) 6.683 6.346 ( -4.113 -4.334 2.994) 6.683 6.864 ( 0.598 7.545 -2.449) 7.956 6.864 ( 0.598 7.545 2.449) 7.956 6.890 ( -1.980 7.085 -2.305) 7.709 6.890 ( -1.980 7.085 2.305) 7.709 7.726 ( 7.964 -9.406 -3.794) 12.895 7.726 ( 7.964 -9.405 3.794) 12.895 7.836 ( -2.687 -7.665 -5.354) 9.729 7.836 ( -2.687 -7.665 5.354) 9.729 8.099 ( 3.241 5.987 -12.509) 14.241 8.099 ( 3.241 5.987 12.509) 14.241 8.167 ( -3.373 6.267 -11.712) 13.705 8.167 ( -3.373 6.267 11.712) 13.705 8.711 ( 6.581 1.370 -1.363) 6.859 8.711 ( 6.581 1.370 1.363) 6.859 8.874 ( -8.838 5.194 -1.305) 10.334 8.874 ( -8.838 5.194 1.305) 10.334 9.895 ( 3.469 -8.541 -10.219) 13.763 9.895 ( 3.469 -8.541 10.219) 13.763 9.968 ( -3.433 -8.876 -8.614) 12.836 9.968 ( -3.433 -8.876 8.614) 12.836 10.461 ( 7.211 2.256 -5.067) 9.097 10.461 ( 7.211 2.256 5.067) 9.097 10.612 ( -7.238 -1.221 -8.400) 11.155 10.612 ( -7.238 -1.221 8.400) 11.155 10.795 ( 4.102 4.193 -10.072) 11.656 10.795 ( 4.102 4.193 10.072) 11.656 10.919 ( -7.138 3.500 -11.942) 14.346 10.919 ( -7.138 3.500 11.942) 14.346 11.730 ( 6.755 4.197 -1.315) 8.060 11.730 ( 6.755 4.197 1.315) 8.060 11.834 ( -3.419 2.349 -3.385) 5.354 11.834 ( -3.419 2.349 3.385) 5.354 12.669 ( 13.282 -4.121 -7.823) 15.956 12.669 ( 13.282 -4.121 7.823) 15.956 12.808 ( 9.484 -2.382 -13.400) 16.588 12.808 ( 9.484 -2.382 13.400) 16.588 12.953 ( -8.674 1.527 -7.303) 11.441 12.953 ( -8.674 1.527 7.303) 11.441 13.179 ( -20.494 0.226 -8.273) 22.102 13.179 ( -20.494 0.226 8.273) 22.102 15.549 ( 4.271 -1.568 -0.618) 4.592 15.549 ( 4.271 -1.568 0.618) 4.592 15.601 ( -1.099 -2.990 -5.511) 6.365 15.601 ( -1.099 -2.990 5.511) 6.365 19.722 ( 3.158 1.375 -4.188) 5.423 19.722 ( 3.158 1.375 4.188) 5.423 19.819 ( -6.909 0.881 -5.093) 8.628 19.819 ( -6.909 0.881 5.093) 8.628 20.499 ( 16.418 0.444 -15.445) 22.545 20.499 ( 16.418 0.444 15.445) 22.545 20.828 ( -16.140 0.121 -20.241) 25.888 20.828 ( -16.140 0.121 20.241) 25.888 22.457 ( 8.552 -0.268 -3.224) 9.144 22.457 ( 8.552 -0.268 3.224) 9.144 22.631 ( -8.468 -0.716 -5.462) 10.102 22.631 ( -8.468 -0.716 5.462) 10.102 23.733 ( 2.993 0.641 -5.431) 6.234 23.733 ( 2.993 0.641 5.431) 6.234 23.774 ( -1.162 -0.384 -6.344) 6.461 23.774 ( -1.162 -0.384 6.344) 6.461 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 7.521 -7.269) 10.460 1.925 ( 0.000 7.521 7.269) 10.460 2.045 ( 0.000 -3.385 -1.500) 3.702 2.045 ( 0.000 -3.385 1.500) 3.702 2.363 ( 0.000 3.329 -9.632) 10.191 2.363 ( 0.000 3.329 9.632) 10.191 2.451 ( 0.000 -4.659 -7.433) 8.773 2.451 ( 0.000 -4.659 7.433) 8.773 2.818 ( 0.000 1.961 -5.796) 6.119 2.818 ( 0.000 1.961 5.796) 6.119 2.823 ( 0.000 2.615 -3.126) 4.076 2.823 ( 0.000 2.615 3.126) 4.076 3.116 ( 0.000 -3.521 -10.777) 11.338 3.116 ( 0.000 -3.521 10.777) 11.338 3.155 ( 0.000 -6.040 -3.603) 7.033 3.155 ( 0.000 -6.040 3.603) 7.033 3.917 ( 0.000 2.223 -6.116) 6.507 3.917 ( 0.000 2.223 6.116) 6.507 3.993 ( 0.000 -4.334 -10.848) 11.681 3.993 ( 0.000 -4.334 10.848) 11.681 4.226 ( 0.000 2.849 -8.356) 8.828 4.226 ( 0.000 2.849 8.356) 8.828 4.281 ( 0.000 -3.268 -6.907) 7.642 4.281 ( 0.000 -3.268 6.907) 7.642 4.760 ( 0.000 4.464 -4.760) 6.525 4.760 ( 0.000 4.464 4.760) 6.525 4.802 ( 0.000 0.428 -6.068) 6.083 4.802 ( 0.000 0.428 6.068) 6.083 5.461 ( 0.000 16.251 -2.667) 16.468 5.461 ( 0.000 16.251 2.667) 16.468 5.771 ( 0.000 -15.631 -6.293) 16.850 5.771 ( 0.000 -15.631 6.293) 16.850 6.189 ( 0.000 8.278 -2.454) 8.634 6.189 ( 0.000 8.278 2.454) 8.634 6.352 ( 0.000 -8.539 -2.893) 9.016 6.352 ( 0.000 -8.539 2.893) 9.016 6.949 ( 0.000 5.305 -5.432) 7.593 6.949 ( 0.000 5.305 5.432) 7.593 7.046 ( 0.000 -5.263 -4.912) 7.199 7.046 ( 0.000 -5.263 4.912) 7.199 7.337 ( 0.000 11.144 -1.962) 11.315 7.337 ( 0.000 11.144 1.962) 11.315 7.572 ( 0.000 -12.520 -5.905) 13.842 7.572 ( 0.000 -12.520 5.905) 13.842 8.046 ( 0.000 4.990 -6.032) 7.828 8.046 ( 0.000 4.990 6.032) 7.828 8.104 ( 0.000 -0.978 -11.122) 11.165 8.104 ( 0.000 -0.978 11.122) 11.165 9.012 ( 0.000 0.629 -12.107) 12.123 9.012 ( 0.000 0.629 12.107) 12.123 9.024 ( 0.000 -0.473 -9.713) 9.724 9.024 ( 0.000 -0.473 9.713) 9.724 9.900 ( 0.000 -1.037 -14.474) 14.511 9.900 ( 0.000 -1.037 14.474) 14.511 9.914 ( 0.000 -2.572 -11.012) 11.308 9.914 ( 0.000 -2.572 11.012) 11.308 10.380 ( 0.000 9.375 -2.135) 9.615 10.380 ( 0.000 9.375 2.135) 9.615 10.556 ( 0.000 -8.025 -1.577) 8.179 10.556 ( 0.000 -8.025 1.577) 8.179 10.998 ( 0.000 -0.897 -13.803) 13.833 10.998 ( 0.000 -0.897 13.803) 13.833 11.005 ( 0.000 -0.956 -12.788) 12.823 11.005 ( 0.000 -0.956 12.788) 12.823 11.613 ( 0.000 10.659 -4.699) 11.649 11.613 ( 0.000 10.659 4.699) 11.649 11.761 ( 0.000 -4.000 -1.040) 4.133 11.761 ( 0.000 -4.000 1.040) 4.133 12.313 ( 0.000 -1.211 -6.118) 6.237 12.313 ( 0.000 -1.211 6.118) 6.237 12.350 ( 0.000 -4.649 -7.999) 9.252 12.350 ( 0.000 -4.649 7.999) 9.252 13.738 ( 0.000 15.372 -6.980) 16.883 13.738 ( 0.000 15.372 6.980) 16.883 13.992 ( 0.000 -10.933 -9.447) 14.449 13.992 ( 0.000 -10.933 9.447) 14.449 15.255 ( 0.000 5.165 -11.199) 12.332 15.255 ( 0.000 5.165 11.199) 12.332 15.391 ( 0.000 -8.995 -13.723) 16.409 15.391 ( 0.000 -8.995 13.723) 16.409 19.814 ( 0.000 2.481 -3.529) 4.314 19.814 ( 0.000 2.481 3.529) 4.314 19.840 ( 0.000 -0.313 -4.264) 4.275 19.840 ( 0.000 -0.313 4.264) 4.275 20.660 ( 0.000 0.676 -14.335) 14.351 20.660 ( 0.000 0.676 14.335) 14.351 20.690 ( 0.000 -2.321 -22.026) 22.148 20.690 ( 0.000 -2.321 22.026) 22.148 22.661 ( 0.000 0.541 -1.788) 1.868 22.661 ( 0.000 0.541 1.788) 1.868 22.662 ( 0.000 0.541 -2.703) 2.757 22.662 ( 0.000 0.541 2.703) 2.757 23.626 ( 0.000 2.872 -7.858) 8.366 23.626 ( 0.000 2.872 7.858) 8.366 23.688 ( 0.000 -3.416 -8.625) 9.277 23.688 ( 0.000 -3.416 8.625) 9.277 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.693 7.786 -7.022) 10.507 1.941 ( 0.693 7.786 7.022) 10.507 2.046 ( 1.038 -2.161 -1.916) 3.069 2.046 ( 1.038 -2.161 1.916) 3.069 2.234 ( -8.888 -3.266 -11.868) 15.183 2.234 ( -8.888 -3.266 11.868) 15.183 2.554 ( 2.554 -0.545 -7.403) 7.850 2.554 ( 2.554 -0.545 7.403) 7.850 2.653 ( -3.288 3.792 -2.264) 5.506 2.653 ( -3.288 3.792 2.264) 5.506 2.958 ( 3.823 -1.111 -2.778) 4.854 2.958 ( 3.823 -1.111 2.778) 4.854 3.126 ( 3.235 0.322 -5.826) 6.672 3.126 ( 3.235 0.322 5.826) 6.672 3.232 ( 5.343 -6.833 -2.947) 9.161 3.232 ( 5.343 -6.833 2.947) 9.161 3.751 ( -10.181 -0.243 -6.394) 12.025 3.751 ( -10.181 -0.243 6.394) 12.025 3.879 ( -10.898 -1.503 -7.582) 13.361 3.879 ( -10.898 -1.503 7.582) 13.361 4.317 ( 4.229 3.637 -8.305) 10.004 4.317 ( 4.229 3.637 8.305) 10.004 4.386 ( 7.991 -2.299 -4.657) 9.530 4.386 ( 7.991 -2.299 4.657) 9.530 4.678 ( -3.031 0.109 -5.325) 6.128 4.678 ( -3.031 0.109 5.325) 6.128 4.828 ( -0.869 2.249 -5.772) 6.255 4.828 ( -0.869 2.249 5.772) 6.255 5.426 ( -2.534 10.625 -5.688) 12.316 5.426 ( -2.534 10.625 5.688) 12.316 5.834 ( 4.935 -9.856 -3.889) 11.689 5.834 ( 4.935 -9.856 3.889) 11.689 6.117 ( -6.202 4.609 -1.192) 7.818 6.117 ( -6.202 4.609 1.192) 7.818 6.353 ( -0.157 -5.181 -0.482) 5.206 6.353 ( -0.157 -5.181 0.482) 5.206 6.942 ( 0.271 2.520 -3.802) 4.570 6.942 ( 0.271 2.520 3.802) 4.570 7.108 ( 2.730 2.195 -6.529) 7.410 7.108 ( 2.730 2.195 6.529) 7.410 7.308 ( 0.269 2.534 -4.201) 4.913 7.308 ( 0.269 2.534 4.201) 4.913 7.627 ( 4.288 -8.390 -9.281) 13.225 7.627 ( 4.288 -8.390 9.281) 13.225 8.071 ( 2.495 3.635 -10.095) 11.016 8.071 ( 2.495 3.635 10.095) 11.016 8.180 ( 6.918 1.327 -8.253) 10.851 8.180 ( 6.919 1.327 8.253) 10.851 8.802 ( -11.868 -0.459 -14.722) 18.915 8.802 ( -11.868 -0.459 14.722) 18.915 9.124 ( 1.438 0.476 -4.896) 5.125 9.124 ( 1.438 0.476 4.896) 5.125 9.834 ( -3.887 -0.724 -9.837) 10.602 9.834 ( -3.887 -0.724 9.837) 10.602 9.919 ( -1.362 -4.031 -11.974) 12.707 9.919 ( -1.362 -4.031 11.974) 12.707 10.410 ( 2.484 8.993 -2.765) 9.731 10.410 ( 2.484 8.993 2.765) 9.731 10.574 ( 1.486 -7.120 -2.706) 7.761 10.574 ( 1.486 -7.120 2.706) 7.761 10.959 ( -3.481 0.784 -9.470) 10.119 10.959 ( -3.481 0.784 9.470) 10.119 11.025 ( 1.272 -2.085 -9.758) 10.059 11.025 ( 1.272 -2.085 9.758) 10.059 11.640 ( 2.794 9.575 -5.245) 11.269 11.640 ( 2.794 9.575 5.245) 11.269 11.781 ( 2.072 -3.770 -2.901) 5.188 11.781 ( 2.072 -3.770 2.901) 5.188 12.337 ( 2.611 -0.378 -4.133) 4.903 12.337 ( 2.611 -0.378 4.133) 4.903 12.398 ( 4.902 -4.773 -7.390) 10.071 12.398 ( 4.902 -4.773 7.390) 10.071 13.607 ( -12.500 11.779 -4.971) 17.880 13.607 ( -12.500 11.779 4.971) 17.880 13.859 ( -12.657 -7.866 -10.895) 18.460 13.859 ( -12.657 -7.866 10.895) 18.460 15.321 ( 5.766 3.760 -9.206) 11.495 15.321 ( 5.766 3.760 9.206) 11.495 15.429 ( 3.408 -7.502 -11.900) 14.474 15.429 ( 3.408 -7.502 11.900) 14.474 19.744 ( -2.665 1.221 -1.294) 3.204 19.744 ( -2.665 1.221 1.294) 3.204 19.966 ( 8.012 0.705 -6.281) 10.205 19.966 ( 8.012 0.705 6.281) 10.205 20.325 ( -15.644 -0.333 -10.532) 18.862 20.325 ( -15.644 -0.333 10.532) 18.862 20.990 ( 11.675 -0.800 -24.921) 27.532 20.990 ( 11.675 -0.800 24.921) 27.532 22.451 ( -9.985 0.722 -4.196) 10.855 22.451 ( -9.985 0.722 4.196) 10.855 22.780 ( 2.064 -0.166 -2.463) 3.218 22.780 ( 2.064 -0.166 2.463) 3.218 23.647 ( 2.129 2.747 -6.920) 7.744 23.647 ( 2.129 2.747 6.920) 7.744 23.709 ( 1.827 -2.979 -8.150) 8.868 23.709 ( 1.827 -2.979 8.150) 8.868 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -5.559 8.976 -5.908) 12.098 1.888 ( -5.559 8.976 5.908) 12.098 2.036 ( -9.569 -5.071 -9.186) 14.201 2.036 ( -9.569 -5.071 9.186) 14.201 2.151 ( 7.842 -1.816 -9.014) 12.085 2.151 ( 7.842 -1.816 9.014) 12.085 2.478 ( -3.387 -2.429 -2.787) 5.014 2.478 ( -3.387 -2.429 2.787) 5.014 2.751 ( 5.752 8.900 -7.389) 12.919 2.751 ( 5.752 8.900 7.389) 12.919 2.987 ( -0.251 -7.976 -4.455) 9.139 2.987 ( -0.251 -7.976 4.455) 9.139 3.202 ( 2.718 4.459 -2.345) 5.724 3.202 ( 2.718 4.459 2.345) 5.724 3.320 ( 2.855 -5.844 -1.594) 6.697 3.320 ( 2.855 -5.844 1.594) 6.697 3.592 ( -5.613 0.391 -5.939) 8.181 3.592 ( -5.613 0.391 5.939) 8.181 3.685 ( -6.663 -3.350 -3.156) 8.098 3.685 ( -6.663 -3.350 3.156) 8.098 4.302 ( -2.815 4.337 -3.785) 6.407 4.302 ( -2.815 4.337 3.785) 6.407 4.517 ( 2.395 1.567 -3.025) 4.165 4.517 ( 2.395 1.567 3.025) 4.165 4.702 ( 3.889 -3.843 -4.634) 7.167 4.702 ( 3.889 -3.843 4.634) 7.167 4.780 ( -1.808 1.407 -2.701) 3.541 4.780 ( -1.808 1.407 2.701) 3.541 5.399 ( 0.385 4.767 -7.642) 9.015 5.399 ( 0.385 4.767 7.642) 9.015 5.840 ( -7.594 0.016 -9.762) 12.369 5.840 ( -7.594 0.016 9.762) 12.369 6.062 ( 3.830 -2.558 -5.610) 7.258 6.062 ( 3.830 -2.558 5.610) 7.258 6.338 ( -1.650 -2.574 -3.026) 4.302 6.338 ( -1.650 -2.574 3.026) 4.302 6.959 ( 1.269 2.693 -5.650) 6.386 6.959 ( 1.269 2.693 5.650) 6.386 7.082 ( -3.412 6.483 -9.343) 11.872 7.082 ( -3.412 6.483 9.343) 11.872 7.415 ( 8.543 -4.020 -6.344) 11.375 7.415 ( 8.543 -4.020 6.344) 11.375 7.702 ( 2.534 -5.981 -10.639) 12.465 7.702 ( 2.534 -5.981 10.639) 12.465 8.132 ( 3.344 3.635 -15.032) 15.823 8.132 ( 3.344 3.635 15.032) 15.823 8.304 ( 2.352 2.623 -14.097) 14.531 8.304 ( 2.352 2.623 14.097) 14.531 8.635 ( -1.541 0.203 -10.930) 11.040 8.635 ( -1.541 0.203 10.930) 11.040 9.085 ( -4.819 0.867 -3.642) 6.103 9.085 ( -4.819 0.867 3.642) 6.103 9.774 ( -2.054 -0.878 -11.564) 11.778 9.774 ( -2.054 -0.878 11.564) 11.778 9.871 ( -3.219 -6.471 -11.656) 13.715 9.871 ( -3.219 -6.471 11.656) 13.715 10.453 ( 1.651 5.374 -3.234) 6.486 10.453 ( 1.651 5.374 3.234) 6.486 10.613 ( 2.079 -3.745 -4.017) 5.872 10.613 ( 2.079 -3.745 4.017) 5.872 10.866 ( -4.798 1.189 -7.599) 9.065 10.866 ( -4.798 1.189 7.599) 9.065 11.037 ( -0.908 -0.202 -11.701) 11.738 11.037 ( -0.908 -0.202 11.701) 11.738 11.721 ( 5.229 7.366 -7.203) 11.553 11.721 ( 5.229 7.366 7.203) 11.553 11.835 ( 2.910 -2.909 -5.759) 7.078 11.835 ( 2.910 -2.909 5.759) 7.078 12.423 ( 6.504 -0.477 -4.442) 7.891 12.423 ( 6.504 -0.477 4.442) 7.891 12.542 ( 9.672 -3.595 -11.252) 15.267 12.542 ( 9.672 -3.595 11.252) 15.267 13.299 ( -17.518 5.542 -4.977) 19.036 13.299 ( -17.518 5.542 4.977) 19.036 13.543 ( -18.444 -3.273 -12.745) 22.657 13.543 ( -18.444 -3.273 12.745) 22.657 15.441 ( 5.693 1.530 -5.310) 7.934 15.441 ( 5.693 1.530 5.310) 7.934 15.501 ( 3.359 -4.757 -7.906) 9.819 15.501 ( 3.359 -4.757 7.906) 9.819 19.719 ( 0.026 1.020 -1.610) 1.906 19.719 ( 0.026 1.020 1.610) 1.906 19.993 ( -8.711 0.104 -12.999) 15.648 19.993 ( -8.711 0.104 12.999) 15.648 20.235 ( 10.131 0.556 -12.205) 15.872 20.235 ( 10.131 0.556 12.205) 15.872 21.060 ( -5.329 -0.273 -24.910) 25.475 21.060 ( -5.329 -0.273 24.910) 25.475 22.349 ( 0.752 0.276 -1.637) 1.822 22.349 ( 0.752 0.276 1.637) 1.822 22.749 ( -4.702 -0.571 -5.489) 7.250 22.749 ( -4.702 -0.571 5.489) 7.250 23.700 ( 2.897 2.198 -5.882) 6.915 23.700 ( 2.897 2.198 5.882) 6.915 23.745 ( 1.603 -2.094 -7.070) 7.546 23.745 ( 1.603 -2.094 7.070) 7.546 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -1.454 5.040 -7.422) 9.088 1.801 ( -1.454 5.040 7.422) 9.088 1.859 ( -7.025 -0.549 -7.185) 10.064 1.859 ( -7.025 -0.549 7.185) 10.064 2.330 ( 8.594 -1.227 -7.109) 11.220 2.330 ( 8.594 -1.227 7.109) 11.220 2.439 ( -2.381 -2.650 -2.691) 4.465 2.439 ( -2.381 -2.650 2.691) 4.465 2.825 ( 3.443 5.490 -3.903) 7.565 2.825 ( 3.443 5.490 3.903) 7.565 2.930 ( -5.869 -5.059 -4.752) 9.089 2.930 ( -5.869 -5.059 4.752) 9.089 3.246 ( 3.346 3.191 -6.344) 7.851 3.246 ( 3.346 3.191 6.344) 7.851 3.319 ( -2.900 0.245 -4.323) 5.211 3.319 ( -2.900 0.245 4.323) 5.211 3.559 ( 2.049 -2.683 -1.548) 3.714 3.559 ( 2.049 -2.683 1.548) 3.714 3.614 ( -2.604 -6.554 -1.611) 7.234 3.614 ( -2.604 -6.554 1.611) 7.234 4.304 ( 4.010 4.887 -1.003) 6.401 4.304 ( 4.010 4.887 1.003) 6.401 4.438 ( -7.972 4.005 -1.113) 8.991 4.438 ( -7.972 4.005 1.113) 8.991 4.774 ( 3.189 -2.043 -3.416) 5.100 4.774 ( 3.189 -2.043 3.416) 5.100 4.798 ( 1.057 -2.570 -1.863) 3.346 4.798 ( 1.057 -2.570 1.863) 3.346 5.461 ( 6.251 2.188 -6.429) 9.230 5.461 ( 6.251 2.188 6.429) 9.230 5.636 ( -10.898 1.456 -6.694) 12.873 5.636 ( -10.898 1.456 6.694) 12.873 6.178 ( 6.200 -2.427 -5.421) 8.586 6.178 ( 6.200 -2.427 5.421) 8.586 6.281 ( -4.151 -1.953 -4.972) 6.765 6.281 ( -4.151 -1.953 4.972) 6.765 6.987 ( 1.515 4.027 -7.954) 9.043 6.987 ( 1.515 4.027 7.954) 9.043 7.023 ( -2.343 5.278 -9.027) 10.716 7.023 ( -2.343 5.278 9.027) 10.716 7.582 ( 7.777 -4.783 -5.196) 10.505 7.582 ( 7.777 -4.783 5.196) 10.505 7.697 ( -3.348 -5.295 -6.995) 9.390 7.697 ( -3.348 -5.295 6.995) 9.390 8.193 ( 2.816 3.419 -19.474) 19.971 8.193 ( 2.816 3.419 19.474) 19.971 8.255 ( -3.956 2.233 -21.010) 21.495 8.255 ( -3.956 2.233 21.010) 21.495 8.758 ( 10.246 2.642 -1.308) 10.662 8.758 ( 10.246 2.642 1.308) 10.662 8.951 ( -8.636 2.143 -1.643) 9.049 8.951 ( -8.636 2.143 1.643) 9.049 9.761 ( 0.902 -3.659 -13.597) 14.110 9.761 ( 0.902 -3.659 13.597) 14.110 9.805 ( -3.184 -6.657 -12.832) 14.802 9.805 ( -3.184 -6.657 12.832) 14.802 10.496 ( 3.389 1.186 -6.024) 7.013 10.496 ( 3.389 1.186 6.024) 7.013 10.586 ( -4.859 -1.115 -9.971) 11.148 10.586 ( -4.859 -1.115 9.971) 11.148 10.862 ( 4.714 2.156 -10.175) 11.420 10.862 ( 4.714 2.156 10.175) 11.420 10.974 ( -5.250 1.723 -11.329) 12.605 10.974 ( -5.250 1.723 11.329) 12.605 11.821 ( 4.247 4.497 -5.455) 8.247 11.821 ( 4.247 4.497 5.455) 8.247 11.867 ( -0.213 0.244 -4.780) 4.791 11.867 ( -0.213 0.244 4.780) 4.791 12.603 ( 11.593 -2.198 -7.185) 13.815 12.603 ( 11.593 -2.198 7.185) 13.815 12.745 ( 6.579 -2.735 -14.730) 16.362 12.745 ( 6.579 -2.735 14.730) 16.362 12.994 ( -8.534 1.752 -4.669) 9.884 12.994 ( -8.534 1.752 4.669) 9.884 13.176 ( -17.781 -0.346 -12.057) 21.486 13.176 ( -17.781 -0.346 12.057) 21.486 15.526 ( 2.718 -0.421 -1.095) 2.960 15.526 ( 2.718 -0.421 1.095) 2.960 15.544 ( 0.782 -2.377 -3.381) 4.206 15.544 ( 0.782 -2.377 3.381) 4.206 19.746 ( 2.827 0.831 -4.165) 5.102 19.746 ( 2.827 0.831 4.165) 5.102 19.835 ( -6.350 0.537 -7.343) 9.723 19.835 ( -6.350 0.537 7.343) 9.723 20.507 ( 16.052 0.288 -14.112) 21.375 20.507 ( 16.052 0.288 14.112) 21.375 20.830 ( -15.847 0.068 -18.841) 24.619 20.830 ( -15.847 0.068 18.841) 24.619 22.452 ( 8.086 -0.154 -4.384) 9.199 22.452 ( 8.086 -0.154 4.384) 9.199 22.618 ( -8.112 -0.455 -6.597) 10.466 22.618 ( -8.112 -0.455 6.597) 10.466 23.748 ( 1.712 0.880 -5.705) 6.021 23.748 ( 1.712 0.880 5.705) 6.021 23.764 ( 0.110 -0.725 -6.120) 6.163 23.764 ( 0.110 -0.725 6.120) 6.164 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 344.226 331.244 241.932 0.000 0.000 0.000 3/26880 20.0 80.130 69.121 65.409 0.000 0.000 0.000 3/26880 30.0 37.679 30.138 30.726 0.000 0.000 0.000 3/26880 40.0 22.942 17.939 18.413 0.000 0.000 0.000 3/26880 50.0 16.006 12.413 12.711 0.000 0.000 0.000 3/26880 60.0 12.124 9.367 9.578 0.000 0.000 0.000 3/26880 70.0 9.687 7.471 7.641 0.000 0.000 0.000 3/26880 80.0 8.031 6.189 6.341 0.000 0.000 0.000 3/26880 90.0 6.840 5.271 5.414 0.000 0.000 0.000 3/26880 100.0 5.948 4.584 4.724 0.000 0.000 0.000 3/26880 110.0 5.257 4.052 4.193 0.000 0.000 0.000 3/26880 120.0 4.710 3.630 3.772 0.000 0.000 0.000 3/26880 130.0 4.266 3.287 3.431 0.000 0.000 0.000 3/26880 140.0 3.900 3.003 3.150 0.000 0.000 0.000 3/26880 150.0 3.593 2.765 2.915 0.000 0.000 0.000 3/26880 160.0 3.333 2.563 2.714 0.000 0.000 0.000 3/26880 170.0 3.110 2.388 2.542 0.000 0.000 0.000 3/26880 180.0 2.916 2.237 2.392 0.000 0.000 0.000 3/26880 190.0 2.747 2.103 2.261 0.000 0.000 0.000 3/26880 200.0 2.597 1.986 2.144 0.000 0.000 0.000 3/26880 210.0 2.464 1.881 2.041 0.000 0.000 0.000 3/26880 220.0 2.344 1.787 1.947 0.000 0.000 0.000 3/26880 230.0 2.237 1.702 1.863 0.000 0.000 0.000 3/26880 240.0 2.140 1.625 1.786 0.000 0.000 0.000 3/26880 250.0 2.051 1.555 1.716 0.000 0.000 0.000 3/26880 260.0 1.970 1.491 1.652 0.000 0.000 0.000 3/26880 270.0 1.895 1.432 1.592 0.000 0.000 0.000 3/26880 280.0 1.826 1.378 1.537 0.000 0.000 0.000 3/26880 290.0 1.763 1.328 1.486 0.000 0.000 0.000 3/26880 300.0 1.703 1.281 1.439 0.000 0.000 0.000 3/26880 310.0 1.648 1.238 1.395 0.000 0.000 0.000 3/26880 320.0 1.597 1.198 1.353 0.000 0.000 0.000 3/26880 330.0 1.549 1.160 1.314 0.000 0.000 0.000 3/26880 340.0 1.503 1.124 1.277 0.000 0.000 0.000 3/26880 350.0 1.461 1.091 1.243 0.000 0.000 0.000 3/26880 360.0 1.420 1.060 1.210 0.000 0.000 0.000 3/26880 370.0 1.382 1.030 1.179 0.000 0.000 0.000 3/26880 380.0 1.347 1.002 1.149 0.000 0.000 0.000 3/26880 390.0 1.313 0.976 1.121 0.000 0.000 0.000 3/26880 400.0 1.280 0.951 1.095 0.000 0.000 0.000 3/26880 410.0 1.249 0.927 1.069 0.000 0.000 0.000 3/26880 420.0 1.220 0.905 1.045 0.000 0.000 0.000 3/26880 430.0 1.192 0.883 1.022 0.000 0.000 0.000 3/26880 440.0 1.166 0.863 1.000 0.000 0.000 0.000 3/26880 450.0 1.140 0.843 0.979 0.000 0.000 0.000 3/26880 460.0 1.116 0.825 0.958 0.000 0.000 0.000 3/26880 470.0 1.093 0.807 0.939 0.000 0.000 0.000 3/26880 480.0 1.070 0.790 0.920 0.000 0.000 0.000 3/26880 490.0 1.049 0.773 0.902 0.000 0.000 0.000 3/26880 500.0 1.028 0.758 0.885 0.000 0.000 0.000 3/26880 510.0 1.008 0.743 0.869 0.000 0.000 0.000 3/26880 520.0 0.989 0.728 0.853 0.000 0.000 0.000 3/26880 530.0 0.971 0.714 0.837 0.000 0.000 0.000 3/26880 540.0 0.953 0.701 0.822 0.000 0.000 0.000 3/26880 550.0 0.936 0.688 0.808 0.000 0.000 0.000 3/26880 560.0 0.920 0.676 0.794 0.000 0.000 0.000 3/26880 570.0 0.904 0.664 0.781 0.000 0.000 0.000 3/26880 580.0 0.889 0.652 0.768 0.000 0.000 0.000 3/26880 590.0 0.874 0.641 0.755 0.000 0.000 0.000 3/26880 600.0 0.860 0.630 0.743 0.000 0.000 0.000 3/26880 610.0 0.846 0.620 0.731 0.000 0.000 0.000 3/26880 620.0 0.832 0.610 0.720 0.000 0.000 0.000 3/26880 630.0 0.819 0.600 0.709 0.000 0.000 0.000 3/26880 640.0 0.807 0.590 0.698 0.000 0.000 0.000 3/26880 650.0 0.795 0.581 0.688 0.000 0.000 0.000 3/26880 660.0 0.783 0.572 0.678 0.000 0.000 0.000 3/26880 670.0 0.771 0.564 0.668 0.000 0.000 0.000 3/26880 680.0 0.760 0.556 0.658 0.000 0.000 0.000 3/26880 690.0 0.749 0.547 0.649 0.000 0.000 0.000 3/26880 700.0 0.739 0.540 0.640 0.000 0.000 0.000 3/26880 710.0 0.728 0.532 0.631 0.000 0.000 0.000 3/26880 720.0 0.718 0.525 0.623 0.000 0.000 0.000 3/26880 730.0 0.709 0.517 0.615 0.000 0.000 0.000 3/26880 740.0 0.699 0.510 0.607 0.000 0.000 0.000 3/26880 750.0 0.690 0.503 0.599 0.000 0.000 0.000 3/26880 760.0 0.681 0.497 0.591 0.000 0.000 0.000 3/26880 770.0 0.672 0.490 0.584 0.000 0.000 0.000 3/26880 780.0 0.664 0.484 0.576 0.000 0.000 0.000 3/26880 790.0 0.656 0.478 0.569 0.000 0.000 0.000 3/26880 800.0 0.648 0.472 0.562 0.000 0.000 0.000 3/26880 810.0 0.640 0.466 0.555 0.000 0.000 0.000 3/26880 820.0 0.632 0.460 0.549 0.000 0.000 0.000 3/26880 830.0 0.624 0.455 0.542 0.000 0.000 0.000 3/26880 840.0 0.617 0.449 0.536 0.000 0.000 0.000 3/26880 850.0 0.610 0.444 0.530 0.000 0.000 0.000 3/26880 860.0 0.603 0.439 0.524 0.000 0.000 0.000 3/26880 870.0 0.596 0.434 0.518 0.000 0.000 0.000 3/26880 880.0 0.589 0.429 0.512 0.000 0.000 0.000 3/26880 890.0 0.583 0.424 0.507 0.000 0.000 0.000 3/26880 900.0 0.576 0.419 0.501 0.000 0.000 0.000 3/26880 910.0 0.570 0.415 0.496 0.000 0.000 0.000 3/26880 920.0 0.564 0.410 0.490 0.000 0.000 0.000 3/26880 930.0 0.558 0.406 0.485 0.000 0.000 0.000 3/26880 940.0 0.552 0.401 0.480 0.000 0.000 0.000 3/26880 950.0 0.546 0.397 0.475 0.000 0.000 0.000 3/26880 960.0 0.541 0.393 0.470 0.000 0.000 0.000 3/26880 970.0 0.535 0.389 0.466 0.000 0.000 0.000 3/26880 980.0 0.530 0.385 0.461 0.000 0.000 0.000 3/26880 990.0 0.524 0.381 0.456 0.000 0.000 0.000 3/26880 1000.0 0.519 0.377 0.452 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:11:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|