----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870463710000000 -4.172531460000000 0.000000000000000 b 5.870463710000000 4.172531460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.686284260000000 Atomic positions (fractional): *1 Sr 0.31807411378737 0.68192588621263 0.75000000000000 87.620 2 Sr 0.68192588621263 0.31807411378737 0.25000000000000 87.620 *3 Ga 0.62492024531530 0.79417208320112 0.25000000000000 69.723 4 Ga 0.79417208320112 0.62492024531530 0.75000000000000 69.723 5 Ga 0.20582791679888 0.37507975468470 0.25000000000000 69.723 6 Ga 0.37507975468470 0.20582791679888 0.75000000000000 69.723 *7 B 0.79582189866502 0.98612214068368 0.75000000000000 10.811 8 B 0.01387785931632 0.20417810133498 0.75000000000000 10.811 9 B 0.98612214068368 0.79582189866502 0.25000000000000 10.811 10 B 0.20417810133498 0.01387785931632 0.25000000000000 10.811 *11 O 0.83730229235608 0.16269770764392 0.75000000000000 15.999 *12 O 0.62875605020139 0.62875605020139 0.00000000000000 15.999 *13 O 0.80314100028528 0.93767769517751 0.25000000000000 15.999 14 O 0.16269770764392 0.83730229235608 0.25000000000000 15.999 15 O 0.37124394979862 0.37124394979862 0.00000000000000 15.999 *16 O 0.00554644663863 0.39512247297136 0.75000000000000 15.999 17 O 0.60487752702864 0.99445355336137 0.75000000000000 15.999 18 O 0.39512247297136 0.00554644663863 0.25000000000000 15.999 19 O 0.19685899971472 0.06232230482249 0.75000000000000 15.999 20 O 0.06232230482249 0.19685899971472 0.25000000000000 15.999 21 O 0.99445355336137 0.60487752702864 0.25000000000000 15.999 22 O 0.62875605020139 0.62875605020139 0.50000000000000 15.999 23 O 0.37124394979862 0.37124394979862 0.50000000000000 15.999 24 O 0.93767769517751 0.80314100028528 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.740927420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345062920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.686284260000000 Atomic positions (fractional): *1 Sr 0.50000000000000 0.18192588621263 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.81807411378737 0.25000000000000 87.620 > 2 3 Sr 0.00000000000000 0.68192588621263 0.75000000000000 87.620 > 1 4 Sr 0.00000000000000 0.31807411378737 0.25000000000000 87.620 > 2 *5 Ga 0.70954616425821 0.08462591894291 0.25000000000000 69.723 > 3 6 Ga 0.70954616425821 0.91537408105709 0.75000000000000 69.723 > 4 7 Ga 0.29045383574179 0.08462591894291 0.25000000000000 69.723 > 5 8 Ga 0.29045383574179 0.91537408105709 0.75000000000000 69.723 > 6 9 Ga 0.20954616425821 0.58462591894291 0.25000000000000 69.723 > 3 10 Ga 0.20954616425821 0.41537408105709 0.75000000000000 69.723 > 4 11 Ga 0.79045383574179 0.58462591894291 0.25000000000000 69.723 > 5 12 Ga 0.79045383574179 0.41537408105709 0.75000000000000 69.723 > 6 *13 B 0.89097201967435 0.09515012100933 0.75000000000000 10.811 > 7 14 B 0.10902798032565 0.09515012100933 0.75000000000000 10.811 > 8 15 B 0.89097201967435 0.90484987899067 0.25000000000000 10.811 > 9 16 B 0.10902798032565 0.90484987899067 0.25000000000000 10.811 > 10 17 B 0.39097201967435 0.59515012100933 0.75000000000000 10.811 > 7 18 B 0.60902798032565 0.59515012100933 0.75000000000000 10.811 > 8 19 B 0.39097201967435 0.40484987899067 0.25000000000000 10.811 > 9 20 B 0.60902798032565 0.40484987899067 0.25000000000000 10.811 > 10 *21 O 0.50000000000000 0.66269770764392 0.75000000000000 15.999 > 11 *22 O 0.62875605020139 0.00000000000000 0.00000000000000 15.999 > 12 *23 O 0.87040934773140 0.06726834744611 0.25000000000000 15.999 > 13 24 O 0.50000000000000 0.33730229235608 0.25000000000000 15.999 > 14 25 O 0.37124394979862 0.00000000000000 0.00000000000000 15.999 > 15 *26 O 0.20033445980500 0.19478801316636 0.75000000000000 15.999 > 16 27 O 0.79966554019501 0.19478801316636 0.75000000000000 15.999 > 17 28 O 0.20033445980500 0.80521198683364 0.25000000000000 15.999 > 18 29 O 0.12959065226860 0.93273165255389 0.75000000000000 15.999 > 19 30 O 0.12959065226860 0.06726834744611 0.25000000000000 15.999 > 20 31 O 0.79966554019501 0.80521198683364 0.25000000000000 15.999 > 21 32 O 0.62875605020139 0.00000000000000 0.50000000000000 15.999 > 22 33 O 0.37124394979862 0.00000000000000 0.50000000000000 15.999 > 23 34 O 0.87040934773140 0.93273165255389 0.75000000000000 15.999 > 24 35 O 0.00000000000000 0.16269770764392 0.75000000000000 15.999 > 11 36 O 0.12875605020139 0.50000000000000 0.00000000000000 15.999 > 12 37 O 0.37040934773140 0.56726834744611 0.25000000000000 15.999 > 13 38 O 0.00000000000000 0.83730229235608 0.25000000000000 15.999 > 14 39 O 0.87124394979861 0.50000000000000 0.00000000000000 15.999 > 15 40 O 0.70033445980499 0.69478801316636 0.75000000000000 15.999 > 16 41 O 0.29966554019501 0.69478801316636 0.75000000000000 15.999 > 17 42 O 0.70033445980499 0.30521198683364 0.25000000000000 15.999 > 18 43 O 0.62959065226860 0.43273165255389 0.75000000000000 15.999 > 19 44 O 0.62959065226860 0.56726834744611 0.25000000000000 15.999 > 20 45 O 0.29966554019501 0.30521198683364 0.25000000000000 15.999 > 21 46 O 0.12875605020139 0.50000000000000 0.50000000000000 15.999 > 22 47 O 0.87124394979861 0.50000000000000 0.50000000000000 15.999 > 23 48 O 0.37040934773140 0.43273165255389 0.75000000000000 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.740927420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345062920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.372568520000000 Atomic positions (fractional): *1 Sr 0.50000000000000 0.18192588621263 0.37500000000000 87.620 > 1 2 Sr 0.50000000000000 0.18192588621263 0.87500000000000 87.620 > 1 3 Sr 0.50000000000000 0.81807411378737 0.12500000000000 87.620 > 2 4 Sr 0.50000000000000 0.81807411378737 0.62500000000000 87.620 > 2 5 Sr 0.00000000000000 0.68192588621263 0.37500000000000 87.620 > 1 6 Sr 0.00000000000000 0.68192588621263 0.87500000000000 87.620 > 1 7 Sr 0.00000000000000 0.31807411378737 0.12500000000000 87.620 > 2 8 Sr 0.00000000000000 0.31807411378737 0.62500000000000 87.620 > 2 *9 Ga 0.70954616425821 0.08462591894291 0.12500000000000 69.723 > 3 10 Ga 0.70954616425821 0.08462591894291 0.62500000000000 69.723 > 3 11 Ga 0.70954616425821 0.91537408105709 0.37500000000000 69.723 > 4 12 Ga 0.70954616425821 0.91537408105709 0.87500000000000 69.723 > 4 13 Ga 0.29045383574179 0.08462591894291 0.12500000000000 69.723 > 5 14 Ga 0.29045383574179 0.08462591894291 0.62500000000000 69.723 > 5 15 Ga 0.29045383574179 0.91537408105709 0.37500000000000 69.723 > 6 16 Ga 0.29045383574179 0.91537408105709 0.87500000000000 69.723 > 6 17 Ga 0.20954616425821 0.58462591894291 0.12500000000000 69.723 > 3 18 Ga 0.20954616425821 0.58462591894291 0.62500000000000 69.723 > 3 19 Ga 0.20954616425821 0.41537408105709 0.37500000000000 69.723 > 4 20 Ga 0.20954616425821 0.41537408105709 0.87500000000000 69.723 > 4 21 Ga 0.79045383574179 0.58462591894291 0.12500000000000 69.723 > 5 22 Ga 0.79045383574179 0.58462591894291 0.62500000000000 69.723 > 5 23 Ga 0.79045383574179 0.41537408105709 0.37500000000000 69.723 > 6 24 Ga 0.79045383574179 0.41537408105709 0.87500000000000 69.723 > 6 *25 B 0.89097201967435 0.09515012100933 0.37500000000000 10.811 > 7 26 B 0.89097201967435 0.09515012100933 0.87500000000000 10.811 > 7 27 B 0.10902798032565 0.09515012100933 0.37500000000000 10.811 > 8 28 B 0.10902798032565 0.09515012100933 0.87500000000000 10.811 > 8 29 B 0.89097201967435 0.90484987899067 0.12500000000000 10.811 > 9 30 B 0.89097201967435 0.90484987899067 0.62500000000000 10.811 > 9 31 B 0.10902798032565 0.90484987899067 0.12500000000000 10.811 > 10 32 B 0.10902798032565 0.90484987899067 0.62500000000000 10.811 > 10 33 B 0.39097201967435 0.59515012100933 0.37500000000000 10.811 > 7 34 B 0.39097201967435 0.59515012100933 0.87500000000000 10.811 > 7 35 B 0.60902798032565 0.59515012100933 0.37500000000000 10.811 > 8 36 B 0.60902798032565 0.59515012100933 0.87500000000000 10.811 > 8 37 B 0.39097201967435 0.40484987899067 0.12500000000000 10.811 > 9 38 B 0.39097201967435 0.40484987899067 0.62500000000000 10.811 > 9 39 B 0.60902798032565 0.40484987899067 0.12500000000000 10.811 > 10 40 B 0.60902798032565 0.40484987899067 0.62500000000000 10.811 > 10 *41 O 0.50000000000000 0.66269770764392 0.37500000000000 15.999 > 11 42 O 0.50000000000000 0.66269770764392 0.87500000000000 15.999 > 11 *43 O 0.62875605020139 0.00000000000000 0.00000000000000 15.999 > 12 44 O 0.62875605020139 0.00000000000000 0.50000000000000 15.999 > 12 *45 O 0.87040934773140 0.06726834744611 0.12500000000000 15.999 > 13 46 O 0.87040934773140 0.06726834744611 0.62500000000000 15.999 > 13 47 O 0.50000000000000 0.33730229235608 0.12500000000000 15.999 > 14 48 O 0.50000000000000 0.33730229235608 0.62500000000000 15.999 > 14 49 O 0.37124394979862 0.00000000000000 0.00000000000000 15.999 > 15 50 O 0.37124394979862 0.00000000000000 0.50000000000000 15.999 > 15 *51 O 0.20033445980500 0.19478801316636 0.37500000000000 15.999 > 16 52 O 0.20033445980500 0.19478801316636 0.87500000000000 15.999 > 16 53 O 0.79966554019501 0.19478801316636 0.37500000000000 15.999 > 17 54 O 0.79966554019501 0.19478801316636 0.87500000000000 15.999 > 17 55 O 0.20033445980500 0.80521198683364 0.12500000000000 15.999 > 18 56 O 0.20033445980500 0.80521198683364 0.62500000000000 15.999 > 18 57 O 0.12959065226860 0.93273165255389 0.37500000000000 15.999 > 19 58 O 0.12959065226860 0.93273165255389 0.87500000000000 15.999 > 19 59 O 0.12959065226860 0.06726834744611 0.12500000000000 15.999 > 20 60 O 0.12959065226860 0.06726834744611 0.62500000000000 15.999 > 20 61 O 0.79966554019501 0.80521198683364 0.12500000000000 15.999 > 21 62 O 0.79966554019501 0.80521198683364 0.62500000000000 15.999 > 21 63 O 0.62875605020139 0.00000000000000 0.25000000000000 15.999 > 22 64 O 0.62875605020139 0.00000000000000 0.75000000000000 15.999 > 22 65 O 0.37124394979862 0.00000000000000 0.25000000000000 15.999 > 23 66 O 0.37124394979862 0.00000000000000 0.75000000000000 15.999 > 23 67 O 0.87040934773140 0.93273165255389 0.37500000000000 15.999 > 24 68 O 0.87040934773140 0.93273165255389 0.87500000000000 15.999 > 24 69 O 0.00000000000000 0.16269770764392 0.37500000000000 15.999 > 11 70 O 0.00000000000000 0.16269770764392 0.87500000000000 15.999 > 11 71 O 0.12875605020139 0.50000000000000 0.00000000000000 15.999 > 12 72 O 0.12875605020139 0.50000000000000 0.50000000000000 15.999 > 12 73 O 0.37040934773140 0.56726834744611 0.12500000000000 15.999 > 13 74 O 0.37040934773140 0.56726834744611 0.62500000000000 15.999 > 13 75 O 0.00000000000000 0.83730229235608 0.12500000000000 15.999 > 14 76 O 0.00000000000000 0.83730229235608 0.62500000000000 15.999 > 14 77 O 0.87124394979861 0.50000000000000 0.00000000000000 15.999 > 15 78 O 0.87124394979861 0.50000000000000 0.50000000000000 15.999 > 15 79 O 0.70033445980499 0.69478801316636 0.37500000000000 15.999 > 16 80 O 0.70033445980499 0.69478801316636 0.87500000000000 15.999 > 16 81 O 0.29966554019501 0.69478801316636 0.37500000000000 15.999 > 17 82 O 0.29966554019501 0.69478801316636 0.87500000000000 15.999 > 17 83 O 0.70033445980499 0.30521198683364 0.12500000000000 15.999 > 18 84 O 0.70033445980499 0.30521198683364 0.62500000000000 15.999 > 18 85 O 0.62959065226860 0.43273165255389 0.37500000000000 15.999 > 19 86 O 0.62959065226860 0.43273165255389 0.87500000000000 15.999 > 19 87 O 0.62959065226860 0.56726834744611 0.12500000000000 15.999 > 20 88 O 0.62959065226860 0.56726834744611 0.62500000000000 15.999 > 20 89 O 0.29966554019501 0.30521198683364 0.12500000000000 15.999 > 21 90 O 0.29966554019501 0.30521198683364 0.62500000000000 15.999 > 21 91 O 0.12875605020139 0.50000000000000 0.25000000000000 15.999 > 22 92 O 0.12875605020139 0.50000000000000 0.75000000000000 15.999 > 22 93 O 0.87124394979861 0.50000000000000 0.25000000000000 15.999 > 23 94 O 0.87124394979861 0.50000000000000 0.75000000000000 15.999 > 23 95 O 0.37040934773140 0.43273165255389 0.37500000000000 15.999 > 24 96 O 0.37040934773140 0.43273165255389 0.87500000000000 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2952281 0.0000000 0.0000000 0.0000000 3.3172279 0.0000000 0.0000000 0.0000000 3.0340618 -------------------------- Born effective charges -------------------------- 1 Sr 2.7386250 -0.0000000 0.0000000 0.0000000 2.6878590 0.0000000 0.0000000 0.0000000 2.2565028 2 Sr 2.7386250 -0.0000000 0.0000000 0.0000000 2.6878590 0.0000000 0.0000000 0.0000000 2.2565028 3 Ga 2.5560191 -0.2356469 0.0000000 -0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 4 Ga 2.5560191 0.2356469 0.0000000 0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 5 Ga 2.5560191 0.2356469 0.0000000 0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 6 Ga 2.5560191 -0.2356469 0.0000000 -0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 7 B 2.8780959 0.4224362 0.0000000 -0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 8 B 2.8780959 -0.4224362 0.0000000 0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 9 B 2.8780959 -0.4224362 0.0000000 0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 10 B 2.8780959 0.4224362 0.0000000 -0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 11 O -3.0461702 -0.0000000 0.0000000 0.0000000 -1.1973175 0.0000000 0.0000000 0.0000000 -0.8182236 12 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 -0.1390958 0.0000000 -0.2092325 -2.3526569 13 O -1.7996309 0.2121265 0.0000000 0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 14 O -3.0461702 -0.0000000 0.0000000 0.0000000 -1.1973175 0.0000000 0.0000000 0.0000000 -0.8182236 15 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 -0.1390958 0.0000000 -0.2092325 -2.3526569 16 O -1.7271452 -0.4144853 0.0000000 -0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 17 O -1.7271452 0.4144853 0.0000000 0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 18 O -1.7271452 0.4144853 0.0000000 0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 19 O -1.7996309 0.2121265 0.0000000 0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 20 O -1.7996309 -0.2121265 0.0000000 -0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 21 O -1.7271452 -0.4144853 0.0000000 -0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 22 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 0.1390958 0.0000000 0.2092325 -2.3526569 23 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 0.1390958 0.0000000 0.2092325 -2.3526569 24 O -1.7996309 -0.2121265 0.0000000 -0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1462 Number of blocks in projector: 1462 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: 372 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 180 Use standard eigh solver. Tree of FC basis block matrices: - (1462, 1431), data: False |-- (180, 180), data: True |-- (196, 194), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (372, 364), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.630 Solver_block: 200 / 400 - Time: 1.643 Solver_block: 300 / 400 - Time: 1.636 Solver_block: 400 / 400 - Time: 1.639 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.585 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 12528/12528 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1462 Number of blocks in projector: 1462 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: 372 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 238 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 180 Use standard eigh solver. Tree of FC basis block matrices: - (1462, 1431), data: False |-- (180, 180), data: True |-- (196, 194), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (238, 231), data: True |-- (372, 364), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:23:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:23:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870463710000000 -4.172531460000000 0.000000000000000 b 5.870463710000000 4.172531460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.686284260000000 Atomic positions (fractional): 1 Sr 0.31807411378737 0.68192588621263 0.75000000000000 87.620 2 Sr 0.68192588621263 0.31807411378737 0.25000000000000 87.620 3 Ga 0.62492024531530 0.79417208320112 0.25000000000000 69.723 4 Ga 0.79417208320112 0.62492024531530 0.75000000000000 69.723 5 Ga 0.20582791679888 0.37507975468470 0.25000000000000 69.723 6 Ga 0.37507975468470 0.20582791679888 0.75000000000000 69.723 7 B 0.79582189866502 0.98612214068368 0.75000000000000 10.811 8 B 0.01387785931632 0.20417810133498 0.75000000000000 10.811 9 B 0.98612214068368 0.79582189866502 0.25000000000000 10.811 10 B 0.20417810133498 0.01387785931632 0.25000000000000 10.811 11 O 0.83730229235608 0.16269770764392 0.75000000000000 15.999 12 O 0.62875605020139 0.62875605020139 0.00000000000000 15.999 13 O 0.80314100028528 0.93767769517751 0.25000000000000 15.999 14 O 0.16269770764392 0.83730229235608 0.25000000000000 15.999 15 O 0.37124394979862 0.37124394979862 0.00000000000000 15.999 16 O 0.00554644663863 0.39512247297136 0.75000000000000 15.999 17 O 0.60487752702864 0.99445355336137 0.75000000000000 15.999 18 O 0.39512247297136 0.00554644663863 0.25000000000000 15.999 19 O 0.19685899971472 0.06232230482249 0.75000000000000 15.999 20 O 0.06232230482249 0.19685899971472 0.25000000000000 15.999 21 O 0.99445355336137 0.60487752702864 0.25000000000000 15.999 22 O 0.62875605020139 0.62875605020139 0.50000000000000 15.999 23 O 0.37124394979862 0.37124394979862 0.50000000000000 15.999 24 O 0.93767769517751 0.80314100028528 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.740927420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345062920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.372568520000000 Atomic positions (fractional): 1 Sr 0.50000000000000 0.18192588621263 0.37500000000000 87.620 > 1 2 Sr 0.50000000000000 0.18192588621263 0.87500000000000 87.620 > 1 3 Sr 0.50000000000000 0.81807411378737 0.12500000000000 87.620 > 3 4 Sr 0.50000000000000 0.81807411378737 0.62500000000000 87.620 > 3 5 Sr 0.00000000000000 0.68192588621263 0.37500000000000 87.620 > 1 6 Sr 0.00000000000000 0.68192588621263 0.87500000000000 87.620 > 1 7 Sr 0.00000000000000 0.31807411378737 0.12500000000000 87.620 > 3 8 Sr 0.00000000000000 0.31807411378737 0.62500000000000 87.620 > 3 9 Ga 0.70954616425821 0.08462591894291 0.12500000000000 69.723 > 9 10 Ga 0.70954616425821 0.08462591894291 0.62500000000000 69.723 > 9 11 Ga 0.70954616425821 0.91537408105709 0.37500000000000 69.723 > 11 12 Ga 0.70954616425821 0.91537408105709 0.87500000000000 69.723 > 11 13 Ga 0.29045383574179 0.08462591894291 0.12500000000000 69.723 > 13 14 Ga 0.29045383574179 0.08462591894291 0.62500000000000 69.723 > 13 15 Ga 0.29045383574179 0.91537408105709 0.37500000000000 69.723 > 15 16 Ga 0.29045383574179 0.91537408105709 0.87500000000000 69.723 > 15 17 Ga 0.20954616425821 0.58462591894291 0.12500000000000 69.723 > 9 18 Ga 0.20954616425821 0.58462591894291 0.62500000000000 69.723 > 9 19 Ga 0.20954616425821 0.41537408105709 0.37500000000000 69.723 > 11 20 Ga 0.20954616425821 0.41537408105709 0.87500000000000 69.723 > 11 21 Ga 0.79045383574179 0.58462591894291 0.12500000000000 69.723 > 13 22 Ga 0.79045383574179 0.58462591894291 0.62500000000000 69.723 > 13 23 Ga 0.79045383574179 0.41537408105709 0.37500000000000 69.723 > 15 24 Ga 0.79045383574179 0.41537408105709 0.87500000000000 69.723 > 15 25 B 0.89097201967435 0.09515012100933 0.37500000000000 10.811 > 25 26 B 0.89097201967435 0.09515012100933 0.87500000000000 10.811 > 25 27 B 0.10902798032565 0.09515012100933 0.37500000000000 10.811 > 27 28 B 0.10902798032565 0.09515012100933 0.87500000000000 10.811 > 27 29 B 0.89097201967435 0.90484987899067 0.12500000000000 10.811 > 29 30 B 0.89097201967435 0.90484987899067 0.62500000000000 10.811 > 29 31 B 0.10902798032565 0.90484987899067 0.12500000000000 10.811 > 31 32 B 0.10902798032565 0.90484987899067 0.62500000000000 10.811 > 31 33 B 0.39097201967435 0.59515012100933 0.37500000000000 10.811 > 25 34 B 0.39097201967435 0.59515012100933 0.87500000000000 10.811 > 25 35 B 0.60902798032565 0.59515012100933 0.37500000000000 10.811 > 27 36 B 0.60902798032565 0.59515012100933 0.87500000000000 10.811 > 27 37 B 0.39097201967435 0.40484987899067 0.12500000000000 10.811 > 29 38 B 0.39097201967435 0.40484987899067 0.62500000000000 10.811 > 29 39 B 0.60902798032565 0.40484987899067 0.12500000000000 10.811 > 31 40 B 0.60902798032565 0.40484987899067 0.62500000000000 10.811 > 31 41 O 0.50000000000000 0.66269770764392 0.37500000000000 15.999 > 41 42 O 0.50000000000000 0.66269770764392 0.87500000000000 15.999 > 41 43 O 0.62875605020139 0.00000000000000 0.00000000000000 15.999 > 43 44 O 0.62875605020139 0.00000000000000 0.50000000000000 15.999 > 43 45 O 0.87040934773140 0.06726834744611 0.12500000000000 15.999 > 45 46 O 0.87040934773140 0.06726834744611 0.62500000000000 15.999 > 45 47 O 0.50000000000000 0.33730229235608 0.12500000000000 15.999 > 47 48 O 0.50000000000000 0.33730229235608 0.62500000000000 15.999 > 47 49 O 0.37124394979862 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.37124394979862 0.00000000000000 0.50000000000000 15.999 > 49 51 O 0.20033445980500 0.19478801316636 0.37500000000000 15.999 > 51 52 O 0.20033445980500 0.19478801316636 0.87500000000000 15.999 > 51 53 O 0.79966554019501 0.19478801316636 0.37500000000000 15.999 > 53 54 O 0.79966554019501 0.19478801316636 0.87500000000000 15.999 > 53 55 O 0.20033445980500 0.80521198683364 0.12500000000000 15.999 > 55 56 O 0.20033445980500 0.80521198683364 0.62500000000000 15.999 > 55 57 O 0.12959065226860 0.93273165255389 0.37500000000000 15.999 > 57 58 O 0.12959065226860 0.93273165255389 0.87500000000000 15.999 > 57 59 O 0.12959065226860 0.06726834744611 0.12500000000000 15.999 > 59 60 O 0.12959065226860 0.06726834744611 0.62500000000000 15.999 > 59 61 O 0.79966554019501 0.80521198683364 0.12500000000000 15.999 > 61 62 O 0.79966554019501 0.80521198683364 0.62500000000000 15.999 > 61 63 O 0.62875605020139 0.00000000000000 0.25000000000000 15.999 > 63 64 O 0.62875605020139 0.00000000000000 0.75000000000000 15.999 > 63 65 O 0.37124394979862 0.00000000000000 0.25000000000000 15.999 > 65 66 O 0.37124394979862 0.00000000000000 0.75000000000000 15.999 > 65 67 O 0.87040934773140 0.93273165255389 0.37500000000000 15.999 > 67 68 O 0.87040934773140 0.93273165255389 0.87500000000000 15.999 > 67 69 O 0.00000000000000 0.16269770764392 0.37500000000000 15.999 > 41 70 O 0.00000000000000 0.16269770764392 0.87500000000000 15.999 > 41 71 O 0.12875605020139 0.50000000000000 0.00000000000000 15.999 > 43 72 O 0.12875605020139 0.50000000000000 0.50000000000000 15.999 > 43 73 O 0.37040934773140 0.56726834744611 0.12500000000000 15.999 > 45 74 O 0.37040934773140 0.56726834744611 0.62500000000000 15.999 > 45 75 O 0.00000000000000 0.83730229235608 0.12500000000000 15.999 > 47 76 O 0.00000000000000 0.83730229235608 0.62500000000000 15.999 > 47 77 O 0.87124394979861 0.50000000000000 0.00000000000000 15.999 > 49 78 O 0.87124394979861 0.50000000000000 0.50000000000000 15.999 > 49 79 O 0.70033445980499 0.69478801316636 0.37500000000000 15.999 > 51 80 O 0.70033445980499 0.69478801316636 0.87500000000000 15.999 > 51 81 O 0.29966554019501 0.69478801316636 0.37500000000000 15.999 > 53 82 O 0.29966554019501 0.69478801316636 0.87500000000000 15.999 > 53 83 O 0.70033445980499 0.30521198683364 0.12500000000000 15.999 > 55 84 O 0.70033445980499 0.30521198683364 0.62500000000000 15.999 > 55 85 O 0.62959065226860 0.43273165255389 0.37500000000000 15.999 > 57 86 O 0.62959065226860 0.43273165255389 0.87500000000000 15.999 > 57 87 O 0.62959065226860 0.56726834744611 0.12500000000000 15.999 > 59 88 O 0.62959065226860 0.56726834744611 0.62500000000000 15.999 > 59 89 O 0.29966554019501 0.30521198683364 0.12500000000000 15.999 > 61 90 O 0.29966554019501 0.30521198683364 0.62500000000000 15.999 > 61 91 O 0.12875605020139 0.50000000000000 0.25000000000000 15.999 > 63 92 O 0.12875605020139 0.50000000000000 0.75000000000000 15.999 > 63 93 O 0.87124394979861 0.50000000000000 0.25000000000000 15.999 > 65 94 O 0.87124394979861 0.50000000000000 0.75000000000000 15.999 > 65 95 O 0.37040934773140 0.43273165255389 0.37500000000000 15.999 > 67 96 O 0.37040934773140 0.43273165255389 0.87500000000000 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2952281 0.0000000 0.0000000 0.0000000 3.3172279 0.0000000 0.0000000 0.0000000 3.0340618 -------------------------- Born effective charges -------------------------- 1 Sr 2.7386250 -0.0000000 0.0000000 0.0000000 2.6878590 0.0000000 0.0000000 0.0000000 2.2565028 2 Sr 2.7386250 -0.0000000 0.0000000 0.0000000 2.6878590 0.0000000 0.0000000 0.0000000 2.2565028 3 Ga 2.5560191 -0.2356469 0.0000000 -0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 4 Ga 2.5560191 0.2356469 0.0000000 0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 5 Ga 2.5560191 0.2356469 0.0000000 0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 6 Ga 2.5560191 -0.2356469 0.0000000 -0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 7 B 2.8780959 0.4224362 0.0000000 -0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 8 B 2.8780959 -0.4224362 0.0000000 0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 9 B 2.8780959 -0.4224362 0.0000000 0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 10 B 2.8780959 0.4224362 0.0000000 -0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 11 O -3.0461702 -0.0000000 0.0000000 0.0000000 -1.1973175 0.0000000 0.0000000 0.0000000 -0.8182236 12 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 -0.1390958 0.0000000 -0.2092325 -2.3526569 13 O -1.7996309 0.2121265 0.0000000 0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 14 O -3.0461702 -0.0000000 0.0000000 0.0000000 -1.1973175 0.0000000 0.0000000 0.0000000 -0.8182236 15 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 -0.1390958 0.0000000 -0.2092325 -2.3526569 16 O -1.7271452 -0.4144853 0.0000000 -0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 17 O -1.7271452 0.4144853 0.0000000 0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 18 O -1.7271452 0.4144853 0.0000000 0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 19 O -1.7996309 0.2121265 0.0000000 0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 20 O -1.7996309 -0.2121265 0.0000000 -0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 21 O -1.7271452 -0.4144853 0.0000000 -0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 22 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 0.1390958 0.0000000 0.2092325 -2.3526569 23 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 0.1390958 0.0000000 0.2092325 -2.3526569 24 O -1.7996309 -0.2121265 0.0000000 -0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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[ 43, 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[ 45, 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[ 51, 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: 0.00000015 (yyy) 0.00000015 (yyy) 0.00000015 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:23:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:23:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870463710000000 -4.172531460000000 0.000000000000000 b 5.870463710000000 4.172531460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.686284260000000 Atomic positions (fractional): 1 Sr 0.31807411378737 0.68192588621263 0.75000000000000 87.620 2 Sr 0.68192588621263 0.31807411378737 0.25000000000000 87.620 3 Ga 0.62492024531530 0.79417208320112 0.25000000000000 69.723 4 Ga 0.79417208320112 0.62492024531530 0.75000000000000 69.723 5 Ga 0.20582791679888 0.37507975468470 0.25000000000000 69.723 6 Ga 0.37507975468470 0.20582791679888 0.75000000000000 69.723 7 B 0.79582189866502 0.98612214068368 0.75000000000000 10.811 8 B 0.01387785931632 0.20417810133498 0.75000000000000 10.811 9 B 0.98612214068368 0.79582189866502 0.25000000000000 10.811 10 B 0.20417810133498 0.01387785931632 0.25000000000000 10.811 11 O 0.83730229235608 0.16269770764392 0.75000000000000 15.999 12 O 0.62875605020139 0.62875605020139 0.00000000000000 15.999 13 O 0.80314100028528 0.93767769517751 0.25000000000000 15.999 14 O 0.16269770764392 0.83730229235608 0.25000000000000 15.999 15 O 0.37124394979862 0.37124394979862 0.00000000000000 15.999 16 O 0.00554644663863 0.39512247297136 0.75000000000000 15.999 17 O 0.60487752702864 0.99445355336137 0.75000000000000 15.999 18 O 0.39512247297136 0.00554644663863 0.25000000000000 15.999 19 O 0.19685899971472 0.06232230482249 0.75000000000000 15.999 20 O 0.06232230482249 0.19685899971472 0.25000000000000 15.999 21 O 0.99445355336137 0.60487752702864 0.25000000000000 15.999 22 O 0.62875605020139 0.62875605020139 0.50000000000000 15.999 23 O 0.37124394979862 0.37124394979862 0.50000000000000 15.999 24 O 0.93767769517751 0.80314100028528 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.740927420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.345062920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.372568520000000 Atomic positions (fractional): 1 Sr 0.50000000000000 0.18192588621263 0.37500000000000 87.620 > 1 2 Sr 0.50000000000000 0.18192588621263 0.87500000000000 87.620 > 1 3 Sr 0.50000000000000 0.81807411378737 0.12500000000000 87.620 > 3 4 Sr 0.50000000000000 0.81807411378737 0.62500000000000 87.620 > 3 5 Sr 0.00000000000000 0.68192588621263 0.37500000000000 87.620 > 1 6 Sr 0.00000000000000 0.68192588621263 0.87500000000000 87.620 > 1 7 Sr 0.00000000000000 0.31807411378737 0.12500000000000 87.620 > 3 8 Sr 0.00000000000000 0.31807411378737 0.62500000000000 87.620 > 3 9 Ga 0.70954616425821 0.08462591894291 0.12500000000000 69.723 > 9 10 Ga 0.70954616425821 0.08462591894291 0.62500000000000 69.723 > 9 11 Ga 0.70954616425821 0.91537408105709 0.37500000000000 69.723 > 11 12 Ga 0.70954616425821 0.91537408105709 0.87500000000000 69.723 > 11 13 Ga 0.29045383574179 0.08462591894291 0.12500000000000 69.723 > 13 14 Ga 0.29045383574179 0.08462591894291 0.62500000000000 69.723 > 13 15 Ga 0.29045383574179 0.91537408105709 0.37500000000000 69.723 > 15 16 Ga 0.29045383574179 0.91537408105709 0.87500000000000 69.723 > 15 17 Ga 0.20954616425821 0.58462591894291 0.12500000000000 69.723 > 9 18 Ga 0.20954616425821 0.58462591894291 0.62500000000000 69.723 > 9 19 Ga 0.20954616425821 0.41537408105709 0.37500000000000 69.723 > 11 20 Ga 0.20954616425821 0.41537408105709 0.87500000000000 69.723 > 11 21 Ga 0.79045383574179 0.58462591894291 0.12500000000000 69.723 > 13 22 Ga 0.79045383574179 0.58462591894291 0.62500000000000 69.723 > 13 23 Ga 0.79045383574179 0.41537408105709 0.37500000000000 69.723 > 15 24 Ga 0.79045383574179 0.41537408105709 0.87500000000000 69.723 > 15 25 B 0.89097201967435 0.09515012100933 0.37500000000000 10.811 > 25 26 B 0.89097201967435 0.09515012100933 0.87500000000000 10.811 > 25 27 B 0.10902798032565 0.09515012100933 0.37500000000000 10.811 > 27 28 B 0.10902798032565 0.09515012100933 0.87500000000000 10.811 > 27 29 B 0.89097201967435 0.90484987899067 0.12500000000000 10.811 > 29 30 B 0.89097201967435 0.90484987899067 0.62500000000000 10.811 > 29 31 B 0.10902798032565 0.90484987899067 0.12500000000000 10.811 > 31 32 B 0.10902798032565 0.90484987899067 0.62500000000000 10.811 > 31 33 B 0.39097201967435 0.59515012100933 0.37500000000000 10.811 > 25 34 B 0.39097201967435 0.59515012100933 0.87500000000000 10.811 > 25 35 B 0.60902798032565 0.59515012100933 0.37500000000000 10.811 > 27 36 B 0.60902798032565 0.59515012100933 0.87500000000000 10.811 > 27 37 B 0.39097201967435 0.40484987899067 0.12500000000000 10.811 > 29 38 B 0.39097201967435 0.40484987899067 0.62500000000000 10.811 > 29 39 B 0.60902798032565 0.40484987899067 0.12500000000000 10.811 > 31 40 B 0.60902798032565 0.40484987899067 0.62500000000000 10.811 > 31 41 O 0.50000000000000 0.66269770764392 0.37500000000000 15.999 > 41 42 O 0.50000000000000 0.66269770764392 0.87500000000000 15.999 > 41 43 O 0.62875605020139 0.00000000000000 0.00000000000000 15.999 > 43 44 O 0.62875605020139 0.00000000000000 0.50000000000000 15.999 > 43 45 O 0.87040934773140 0.06726834744611 0.12500000000000 15.999 > 45 46 O 0.87040934773140 0.06726834744611 0.62500000000000 15.999 > 45 47 O 0.50000000000000 0.33730229235608 0.12500000000000 15.999 > 47 48 O 0.50000000000000 0.33730229235608 0.62500000000000 15.999 > 47 49 O 0.37124394979862 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.37124394979862 0.00000000000000 0.50000000000000 15.999 > 49 51 O 0.20033445980500 0.19478801316636 0.37500000000000 15.999 > 51 52 O 0.20033445980500 0.19478801316636 0.87500000000000 15.999 > 51 53 O 0.79966554019501 0.19478801316636 0.37500000000000 15.999 > 53 54 O 0.79966554019501 0.19478801316636 0.87500000000000 15.999 > 53 55 O 0.20033445980500 0.80521198683364 0.12500000000000 15.999 > 55 56 O 0.20033445980500 0.80521198683364 0.62500000000000 15.999 > 55 57 O 0.12959065226860 0.93273165255389 0.37500000000000 15.999 > 57 58 O 0.12959065226860 0.93273165255389 0.87500000000000 15.999 > 57 59 O 0.12959065226860 0.06726834744611 0.12500000000000 15.999 > 59 60 O 0.12959065226860 0.06726834744611 0.62500000000000 15.999 > 59 61 O 0.79966554019501 0.80521198683364 0.12500000000000 15.999 > 61 62 O 0.79966554019501 0.80521198683364 0.62500000000000 15.999 > 61 63 O 0.62875605020139 0.00000000000000 0.25000000000000 15.999 > 63 64 O 0.62875605020139 0.00000000000000 0.75000000000000 15.999 > 63 65 O 0.37124394979862 0.00000000000000 0.25000000000000 15.999 > 65 66 O 0.37124394979862 0.00000000000000 0.75000000000000 15.999 > 65 67 O 0.87040934773140 0.93273165255389 0.37500000000000 15.999 > 67 68 O 0.87040934773140 0.93273165255389 0.87500000000000 15.999 > 67 69 O 0.00000000000000 0.16269770764392 0.37500000000000 15.999 > 41 70 O 0.00000000000000 0.16269770764392 0.87500000000000 15.999 > 41 71 O 0.12875605020139 0.50000000000000 0.00000000000000 15.999 > 43 72 O 0.12875605020139 0.50000000000000 0.50000000000000 15.999 > 43 73 O 0.37040934773140 0.56726834744611 0.12500000000000 15.999 > 45 74 O 0.37040934773140 0.56726834744611 0.62500000000000 15.999 > 45 75 O 0.00000000000000 0.83730229235608 0.12500000000000 15.999 > 47 76 O 0.00000000000000 0.83730229235608 0.62500000000000 15.999 > 47 77 O 0.87124394979861 0.50000000000000 0.00000000000000 15.999 > 49 78 O 0.87124394979861 0.50000000000000 0.50000000000000 15.999 > 49 79 O 0.70033445980499 0.69478801316636 0.37500000000000 15.999 > 51 80 O 0.70033445980499 0.69478801316636 0.87500000000000 15.999 > 51 81 O 0.29966554019501 0.69478801316636 0.37500000000000 15.999 > 53 82 O 0.29966554019501 0.69478801316636 0.87500000000000 15.999 > 53 83 O 0.70033445980499 0.30521198683364 0.12500000000000 15.999 > 55 84 O 0.70033445980499 0.30521198683364 0.62500000000000 15.999 > 55 85 O 0.62959065226860 0.43273165255389 0.37500000000000 15.999 > 57 86 O 0.62959065226860 0.43273165255389 0.87500000000000 15.999 > 57 87 O 0.62959065226860 0.56726834744611 0.12500000000000 15.999 > 59 88 O 0.62959065226860 0.56726834744611 0.62500000000000 15.999 > 59 89 O 0.29966554019501 0.30521198683364 0.12500000000000 15.999 > 61 90 O 0.29966554019501 0.30521198683364 0.62500000000000 15.999 > 61 91 O 0.12875605020139 0.50000000000000 0.25000000000000 15.999 > 63 92 O 0.12875605020139 0.50000000000000 0.75000000000000 15.999 > 63 93 O 0.87124394979861 0.50000000000000 0.25000000000000 15.999 > 65 94 O 0.87124394979861 0.50000000000000 0.75000000000000 15.999 > 65 95 O 0.37040934773140 0.43273165255389 0.37500000000000 15.999 > 67 96 O 0.37040934773140 0.43273165255389 0.87500000000000 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2952281 0.0000000 0.0000000 0.0000000 3.3172279 0.0000000 0.0000000 0.0000000 3.0340618 -------------------------- Born effective charges -------------------------- 1 Sr 2.7386250 -0.0000000 0.0000000 0.0000000 2.6878590 0.0000000 0.0000000 0.0000000 2.2565028 2 Sr 2.7386250 -0.0000000 0.0000000 0.0000000 2.6878590 0.0000000 0.0000000 0.0000000 2.2565028 3 Ga 2.5560191 -0.2356469 0.0000000 -0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 4 Ga 2.5560191 0.2356469 0.0000000 0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 5 Ga 2.5560191 0.2356469 0.0000000 0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 6 Ga 2.5560191 -0.2356469 0.0000000 -0.1533066 3.0844286 0.0000000 0.0000000 0.0000000 2.8978130 7 B 2.8780959 0.4224362 0.0000000 -0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 8 B 2.8780959 -0.4224362 0.0000000 0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 9 B 2.8780959 -0.4224362 0.0000000 0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 10 B 2.8780959 0.4224362 0.0000000 -0.3592944 2.5553945 0.0000000 0.0000000 0.0000000 1.0518284 11 O -3.0461702 -0.0000000 0.0000000 0.0000000 -1.1973175 0.0000000 0.0000000 0.0000000 -0.8182236 12 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 -0.1390958 0.0000000 -0.2092325 -2.3526569 13 O -1.7996309 0.2121265 0.0000000 0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 14 O -3.0461702 -0.0000000 0.0000000 0.0000000 -1.1973175 0.0000000 0.0000000 0.0000000 -0.8182236 15 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 -0.1390958 0.0000000 -0.2092325 -2.3526569 16 O -1.7271452 -0.4144853 0.0000000 -0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 17 O -1.7271452 0.4144853 0.0000000 0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 18 O -1.7271452 0.4144853 0.0000000 0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 19 O -1.7996309 0.2121265 0.0000000 0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 20 O -1.7996309 -0.2121265 0.0000000 -0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 21 O -1.7271452 -0.4144853 0.0000000 -0.6160410 -2.4984079 0.0000000 0.0000000 0.0000000 -1.1147662 22 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 0.1390958 0.0000000 0.2092325 -2.3526569 23 O -1.7535664 -0.0000000 0.0000000 0.0000000 -1.6317495 0.1390958 0.0000000 0.2092325 -2.3526569 24 O -1.7996309 -0.2121265 0.0000000 -0.0381595 -2.2549363 0.0000000 0.0000000 0.0000000 -1.2013578 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000015 (yyy) 0.00000015 (yyy) 0.00000015 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 9 ] 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: 0.64, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 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 1.687 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 9.093 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 13.490 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.379 ( 0.000 0.000 0.000) 0.000 14.519 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 16.477 ( 0.000 0.000 0.000) 0.000 16.812 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 18.055 ( 0.000 0.000 0.000) 0.000 18.148 ( 0.000 0.000 0.000) 0.000 18.414 ( 0.000 0.000 0.000) 0.000 19.109 ( 0.000 0.000 0.000) 0.000 19.694 ( 0.000 0.000 0.000) 0.000 20.281 ( 0.000 0.000 0.000) 0.000 20.498 ( 0.000 0.000 0.000) 0.000 20.732 ( 0.000 0.000 0.000) 0.000 21.365 ( 0.000 0.000 0.000) 0.000 21.594 ( 0.000 0.000 0.000) 0.000 21.843 ( 0.000 0.000 0.000) 0.000 25.518 ( 0.000 0.000 0.000) 0.000 25.628 ( 0.000 0.000 0.000) 0.000 29.929 ( 0.000 0.000 0.000) 0.000 30.112 ( 0.000 0.000 0.000) 0.000 37.848 ( 0.000 0.000 0.000) 0.000 38.536 ( 0.000 0.000 0.000) 0.000 38.711 ( 0.000 0.000 0.000) 0.000 39.577 ( 0.000 0.000 0.000) 0.000 40.058 ( 0.000 0.000 0.000) 0.000 40.120 ( 0.000 0.000 0.000) 0.000 40.980 ( 0.000 0.000 0.000) 0.000 41.192 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 12.085 -16.710 0.000) 20.622 0.741 ( 17.849 -30.498 0.000) 35.337 1.417 ( 37.991 -53.362 0.000) 65.504 1.684 ( -4.478 -3.570 0.000) 5.727 1.983 ( 0.548 -2.359 0.000) 2.422 2.385 ( 0.542 -2.749 0.000) 2.802 2.735 ( 5.728 14.051 0.000) 15.173 3.525 ( -2.663 11.684 0.000) 11.983 3.549 ( -0.839 10.007 0.000) 10.042 3.695 ( 0.756 -1.593 0.000) 1.763 3.770 ( -2.880 1.508 0.000) 3.251 3.806 ( 11.431 7.064 0.000) 13.437 3.898 ( 3.799 1.763 0.000) 4.188 4.065 ( 11.607 -3.159 0.000) 12.030 4.343 ( 6.307 -16.667 0.000) 17.820 4.586 ( 3.060 -1.414 0.000) 3.371 4.776 ( 0.492 -7.609 0.000) 7.625 4.903 ( -1.255 -0.503 0.000) 1.352 5.066 ( -4.032 -3.559 0.000) 5.378 5.410 ( -1.338 -0.700 0.000) 1.510 5.722 ( 20.431 10.795 0.000) 23.108 5.820 ( 1.654 -1.452 0.000) 2.201 6.183 ( -2.609 -1.642 0.000) 3.083 6.211 ( -2.339 5.667 0.000) 6.131 6.334 ( 4.240 3.383 0.000) 5.424 6.557 ( -1.717 -4.066 0.000) 4.414 8.026 ( 3.539 2.069 0.000) 4.099 8.159 ( -0.190 2.164 0.000) 2.173 8.279 ( -0.896 0.928 0.000) 1.290 9.172 ( -3.683 3.168 0.000) 4.858 9.223 ( -2.327 -1.829 0.000) 2.960 9.245 ( 0.437 0.470 0.000) 0.642 9.369 ( -4.025 2.498 0.000) 4.737 9.502 ( -1.595 -1.950 0.000) 2.519 10.109 ( -5.630 -1.248 0.000) 5.766 11.425 ( -79.933 -55.288 0.000) 97.191 12.580 ( -3.040 -0.197 0.000) 3.046 13.036 ( 1.146 7.578 0.000) 7.664 13.492 ( -0.676 -0.758 0.000) 1.015 13.578 ( 0.250 -0.198 0.000) 0.319 13.944 ( -6.768 -2.628 0.000) 7.260 14.300 ( -0.613 4.579 0.000) 4.619 14.516 ( -0.231 0.191 0.000) 0.300 14.572 ( -0.084 -4.962 0.000) 4.962 15.127 ( 34.770 22.653 0.000) 41.498 15.988 ( -6.372 -2.556 0.000) 6.865 16.477 ( 0.650 0.010 0.000) 0.650 17.032 ( 25.519 19.027 0.000) 31.831 17.768 ( -0.613 -0.406 0.000) 0.735 18.072 ( 0.618 -1.429 0.000) 1.557 18.143 ( 0.392 0.835 0.000) 0.922 18.396 ( -0.452 1.730 0.000) 1.788 19.113 ( 0.001 -0.376 0.000) 0.376 19.696 ( 0.018 -0.216 0.000) 0.217 20.341 ( -1.179 -3.155 0.000) 3.368 20.509 ( 1.657 -0.183 0.000) 1.667 20.764 ( 1.360 -2.512 0.000) 2.856 21.433 ( 8.154 10.885 0.000) 13.601 21.618 ( 1.025 -1.531 0.000) 1.843 22.002 ( -4.201 -0.433 0.000) 4.224 25.548 ( -5.490 0.317 0.000) 5.499 25.624 ( -1.651 -0.711 0.000) 1.798 29.987 ( 5.408 0.477 0.000) 5.429 30.155 ( 3.435 -2.134 0.000) 4.044 37.876 ( 2.220 -1.500 0.000) 2.680 38.680 ( 2.755 3.885 0.000) 4.762 38.869 ( 29.047 15.926 0.000) 33.127 39.990 ( -8.749 2.657 0.000) 9.143 40.064 ( -2.389 -0.637 0.000) 2.473 41.037 ( 3.005 2.251 0.000) 3.754 41.095 ( -7.161 -1.109 0.000) 7.246 42.376 ( -13.827 -17.747 0.000) 22.498 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 10.320 -11.830 0.000) 15.699 1.472 ( 17.501 -29.434 0.000) 34.243 1.714 ( -5.656 -6.547 0.000) 8.652 2.045 ( 1.285 -4.403 0.000) 4.587 2.443 ( -0.044 -2.612 0.000) 2.613 2.464 ( 9.887 7.860 0.000) 12.630 2.771 ( 29.677 -33.905 0.000) 45.059 3.244 ( -3.738 14.485 0.000) 14.959 3.323 ( -6.689 9.609 0.000) 11.708 3.586 ( -2.176 5.390 0.000) 5.813 3.669 ( -3.638 5.054 0.000) 6.228 3.940 ( 5.188 0.046 0.000) 5.188 4.032 ( 15.908 -3.798 0.000) 16.355 4.258 ( 7.539 -4.384 0.000) 8.722 4.665 ( 5.083 -1.549 0.000) 5.314 4.709 ( 4.872 -18.404 0.000) 19.038 4.898 ( -1.250 -1.021 0.000) 1.614 4.912 ( 1.551 -2.271 0.000) 2.750 5.056 ( -7.073 -2.823 0.000) 7.615 5.436 ( 3.592 -1.576 0.000) 3.922 5.782 ( 9.636 4.784 0.000) 10.758 5.873 ( 1.579 -2.124 0.000) 2.647 6.023 ( -5.160 9.626 0.000) 10.921 6.139 ( -2.608 2.288 0.000) 3.469 6.388 ( 5.891 -1.565 0.000) 6.095 6.596 ( -2.982 -3.414 0.000) 4.533 8.027 ( 4.122 3.533 0.000) 5.429 8.120 ( 0.019 1.714 0.000) 1.714 8.271 ( 0.898 -0.585 0.000) 1.072 9.066 ( -4.231 2.906 0.000) 5.133 9.213 ( -1.725 -0.213 0.000) 1.738 9.254 ( -0.626 -1.321 0.000) 1.462 9.272 ( 0.371 5.545 0.000) 5.557 9.462 ( -7.968 -0.016 0.000) 7.968 10.028 ( -10.856 -1.282 0.000) 10.931 11.404 ( -25.147 -17.338 0.000) 30.545 12.539 ( -3.264 0.318 0.000) 3.279 12.902 ( -3.836 4.751 0.000) 6.107 13.498 ( -0.717 -0.912 0.000) 1.160 13.586 ( 0.316 -0.249 0.000) 0.403 13.901 ( -2.161 0.907 0.000) 2.343 14.249 ( 0.944 1.783 0.000) 2.017 14.508 ( -0.292 0.241 0.000) 0.379 14.625 ( -3.461 -3.769 0.000) 5.117 15.171 ( 19.524 11.172 0.000) 22.494 15.938 ( -8.835 -2.745 0.000) 9.252 16.505 ( 2.490 -0.988 0.000) 2.679 17.002 ( 10.461 10.007 0.000) 14.477 17.769 ( -0.730 -0.571 0.000) 0.926 18.104 ( 0.247 -0.573 0.000) 0.624 18.145 ( 1.271 -0.941 0.000) 1.582 18.347 ( -0.856 2.977 0.000) 3.098 19.120 ( 0.001 -0.460 0.000) 0.460 19.701 ( 0.023 -0.262 0.000) 0.263 20.391 ( 0.699 -2.663 0.000) 2.753 20.544 ( 2.733 -0.677 0.000) 2.815 20.838 ( 1.457 -3.794 0.000) 4.065 21.316 ( -1.080 7.502 0.000) 7.580 21.658 ( 0.768 -1.652 0.000) 1.821 21.956 ( -2.237 0.862 0.000) 2.397 25.463 ( -3.969 2.182 0.000) 4.530 25.613 ( -1.894 -0.601 0.000) 1.987 30.059 ( 4.431 -1.304 0.000) 4.619 30.246 ( 4.030 -2.448 0.000) 4.715 37.939 ( 2.760 -1.729 0.000) 3.257 38.673 ( 1.976 0.190 0.000) 1.985 38.946 ( 12.289 4.960 0.000) 13.252 39.785 ( -10.287 5.636 0.000) 11.730 40.070 ( -2.000 -2.276 0.000) 3.030 40.852 ( -10.214 4.447 0.000) 11.140 41.206 ( 6.862 -2.851 0.000) 7.431 42.513 ( -0.078 -7.120 0.000) 7.121 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.735 -4.346 0.000) 6.427 1.736 ( -3.396 -2.407 0.000) 4.163 2.121 ( 6.938 -22.537 0.000) 23.581 2.199 ( 3.810 -9.611 0.000) 10.339 2.361 ( 14.222 7.668 0.000) 16.157 2.412 ( -3.236 5.391 0.000) 6.287 2.854 ( -13.372 16.882 0.000) 21.536 3.021 ( -1.035 6.124 0.000) 6.211 3.507 ( -0.320 2.059 0.000) 2.084 3.553 ( -1.979 3.072 0.000) 3.654 3.857 ( 18.325 -33.466 0.000) 38.155 3.995 ( 2.460 -0.327 0.000) 2.481 4.218 ( 6.330 -3.551 0.000) 7.258 4.370 ( 2.332 -1.395 0.000) 2.717 4.735 ( -8.563 17.556 0.000) 19.533 4.740 ( 3.091 -0.573 0.000) 3.143 4.920 ( 2.464 -1.097 0.000) 2.697 4.992 ( -7.180 -0.340 0.000) 7.188 5.097 ( 7.804 -14.794 0.000) 16.726 5.474 ( -0.965 3.792 0.000) 3.913 5.731 ( 0.939 5.730 0.000) 5.806 5.900 ( 0.426 0.233 0.000) 0.486 5.922 ( 0.664 -1.609 0.000) 1.740 6.074 ( -0.868 2.042 0.000) 2.219 6.483 ( 3.627 -1.492 0.000) 3.922 6.598 ( -2.591 -1.139 0.000) 2.830 8.009 ( 1.302 1.836 0.000) 2.251 8.107 ( 0.522 0.512 0.000) 0.731 8.312 ( 1.774 -1.122 0.000) 2.099 8.988 ( -3.114 0.461 0.000) 3.148 9.199 ( -0.590 0.057 0.000) 0.593 9.225 ( 6.886 4.180 0.000) 8.055 9.266 ( -0.455 -0.697 0.000) 0.832 9.332 ( -10.221 0.543 0.000) 10.235 9.926 ( -6.141 -0.365 0.000) 6.152 11.406 ( -5.478 -4.260 0.000) 6.940 12.500 ( -1.306 0.608 0.000) 1.440 12.813 ( -2.216 1.067 0.000) 2.460 13.504 ( -0.353 -0.451 0.000) 0.573 13.592 ( 0.142 -0.112 0.000) 0.181 13.872 ( -0.281 0.685 0.000) 0.741 14.246 ( 0.875 0.390 0.000) 0.958 14.502 ( -0.132 0.109 0.000) 0.171 14.631 ( -1.878 -1.181 0.000) 2.218 15.207 ( 6.943 3.729 0.000) 7.881 15.887 ( -4.135 -1.123 0.000) 4.285 16.554 ( 1.523 -1.013 0.000) 1.830 16.958 ( 2.794 3.876 0.000) 4.778 17.770 ( -0.317 -0.278 0.000) 0.422 18.101 ( 0.055 0.364 0.000) 0.368 18.203 ( 1.412 -3.173 0.000) 3.474 18.278 ( -1.180 3.479 0.000) 3.673 19.126 ( 0.000 -0.202 0.000) 0.202 19.704 ( 0.010 -0.114 0.000) 0.115 20.434 ( 0.551 -1.081 0.000) 1.213 20.587 ( 1.620 -0.556 0.000) 1.713 20.917 ( 0.917 -2.974 0.000) 3.113 21.180 ( -2.103 4.473 0.000) 4.943 21.686 ( 0.351 -0.672 0.000) 0.758 21.926 ( -0.727 0.363 0.000) 0.813 25.398 ( -1.539 1.060 0.000) 1.869 25.603 ( -0.855 -0.229 0.000) 0.885 30.119 ( 1.854 -0.764 0.000) 2.006 30.314 ( 1.701 -1.012 0.000) 1.980 37.986 ( 1.189 -0.684 0.000) 1.372 38.708 ( 1.353 -0.964 0.000) 1.661 38.990 ( 3.762 1.392 0.000) 4.011 39.605 ( -4.843 3.006 0.000) 5.700 40.083 ( -0.908 -1.186 0.000) 1.493 40.705 ( -3.903 1.903 0.000) 4.342 41.303 ( 2.839 -1.107 0.000) 3.047 42.598 ( 0.752 -2.034 0.000) 2.168 ======================= Grid point 8 (5/80) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 21.636 -0.000 0.000) 21.636 0.962 ( 37.349 -0.000 0.000) 37.349 1.560 ( 62.808 -0.000 0.000) 62.808 1.564 ( -9.025 0.000 0.000) 9.025 1.973 ( 1.008 -0.000 0.000) 1.008 2.372 ( 1.247 -0.000 0.000) 1.247 2.886 ( 2.694 -0.000 0.000) 2.694 3.623 ( -1.838 0.000 0.000) 1.838 3.685 ( -8.497 0.000 0.000) 8.497 3.733 ( 3.947 -0.000 0.000) 3.947 3.867 ( 19.694 -0.000 0.000) 19.694 3.983 ( 6.049 -0.000 0.000) 6.049 4.059 ( 9.364 -0.000 0.000) 9.364 4.090 ( 8.238 -0.000 0.000) 8.238 4.369 ( 13.258 -0.000 0.000) 13.258 4.623 ( 5.025 -0.000 0.000) 5.025 4.677 ( -0.823 0.000 0.000) 0.823 4.875 ( -2.446 0.000 0.000) 2.446 4.967 ( -6.186 0.000 0.000) 6.186 5.413 ( 0.558 -0.000 0.000) 0.558 5.841 ( 3.388 -0.000 0.000) 3.388 6.106 ( -2.581 0.000 0.000) 2.581 6.142 ( -1.963 0.000 0.000) 1.963 6.234 ( -2.107 0.000 0.000) 2.107 6.424 ( 4.640 -0.000 0.000) 4.640 6.484 ( -2.799 0.000 0.000) 2.799 8.108 ( 6.413 -0.000 0.000) 6.413 8.178 ( -0.244 0.000 0.000) 0.244 8.232 ( -6.841 0.000 0.000) 6.841 9.133 ( 3.194 -0.000 0.000) 3.194 9.162 ( -4.427 0.000 0.000) 4.427 9.192 ( -14.972 0.000 0.000) 14.972 9.255 ( 0.434 -0.000 0.000) 0.434 9.590 ( 0.759 -0.000 0.000) 0.759 9.663 ( -8.452 0.000 0.000) 8.452 10.540 ( 18.259 -0.000 0.000) 18.259 12.506 ( -7.191 0.000 0.000) 7.191 13.054 ( -7.625 0.000 0.000) 7.625 13.515 ( 2.690 -0.000 0.000) 2.690 13.581 ( 0.487 -0.000 0.000) 0.487 13.925 ( 1.682 -0.000 0.000) 1.682 14.359 ( 0.243 -0.000 0.000) 0.243 14.435 ( -6.585 0.000 0.000) 6.585 14.513 ( -0.456 0.000 0.000) 0.456 15.532 ( 0.816 -0.000 0.000) 0.816 15.908 ( -1.332 0.000 0.000) 1.332 16.447 ( -2.554 0.000 0.000) 2.554 17.441 ( -3.259 0.000 0.000) 3.259 17.753 ( -1.154 0.000 0.000) 1.154 18.072 ( 1.277 -0.000 0.000) 1.277 18.157 ( 0.633 -0.000 0.000) 0.633 18.403 ( -0.866 0.000 0.000) 0.866 19.109 ( 0.007 -0.000 0.000) 0.007 19.694 ( 0.034 -0.000 0.000) 0.034 20.320 ( 2.966 -0.000 0.000) 2.966 20.511 ( 0.876 -0.000 0.000) 0.876 20.771 ( 3.043 -0.000 0.000) 3.043 21.542 ( -3.382 0.000 0.000) 3.382 21.748 ( -8.024 0.000 0.000) 8.024 21.828 ( -1.586 0.000 0.000) 1.586 25.470 ( -3.501 0.000 0.000) 3.501 25.631 ( 0.567 -0.000 0.000) 0.567 30.080 ( 5.167 -0.000 0.000) 5.167 30.202 ( 6.697 -0.000 0.000) 6.697 37.900 ( 4.160 -0.000 0.000) 4.160 38.731 ( 1.717 -0.000 0.000) 1.717 39.471 ( -7.794 0.000 0.000) 7.794 39.833 ( -12.504 0.000 0.000) 12.504 39.991 ( -4.765 0.000 0.000) 4.765 41.137 ( 10.120 -0.000 0.000) 10.120 41.342 ( 10.623 -0.000 0.000) 10.623 41.682 ( -2.605 0.000 0.000) 2.605 ======================= Grid point 9 (6/80) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 17.979 -6.524 0.000) 19.126 1.478 ( 32.583 -9.957 0.000) 34.071 1.506 ( -8.685 -6.913 0.000) 11.100 1.997 ( 0.210 -1.894 0.000) 1.905 2.406 ( 1.043 -1.826 0.000) 2.103 2.518 ( 44.457 -20.716 0.000) 49.047 2.860 ( 6.922 3.536 0.000) 7.773 3.412 ( -6.387 11.822 0.000) 13.437 3.605 ( 3.317 18.634 0.000) 18.927 3.655 ( -5.661 -0.900 0.000) 5.732 3.900 ( 14.786 17.894 0.000) 23.213 4.036 ( 6.523 2.468 0.000) 6.974 4.114 ( 4.156 -2.488 0.000) 4.843 4.330 ( 13.919 -2.910 0.000) 14.220 4.591 ( 15.426 -7.514 0.000) 17.158 4.698 ( 4.110 -1.417 0.000) 4.348 4.839 ( 5.874 -10.101 0.000) 11.685 4.855 ( -1.952 -1.644 0.000) 2.552 4.918 ( -6.106 -2.635 0.000) 6.650 5.444 ( 2.291 -2.406 0.000) 3.322 5.885 ( 3.343 0.011 0.000) 3.343 5.956 ( -1.125 7.472 0.000) 7.556 6.124 ( -1.949 -0.196 0.000) 1.959 6.136 ( -2.349 9.100 0.000) 9.398 6.436 ( 1.520 0.223 0.000) 1.536 6.517 ( 0.926 -2.814 0.000) 2.963 8.133 ( 0.938 3.966 0.000) 4.075 8.163 ( -9.772 -4.835 0.000) 10.903 8.183 ( 5.444 1.789 0.000) 5.730 8.994 ( -13.335 0.545 0.000) 13.346 9.122 ( -5.557 -2.537 0.000) 6.109 9.252 ( -1.637 -5.321 0.000) 5.567 9.262 ( 0.899 -0.066 0.000) 0.901 9.493 ( 0.143 6.345 0.000) 6.346 9.766 ( -7.262 -9.766 0.000) 12.170 10.919 ( 7.197 -18.290 0.000) 19.655 12.431 ( -8.184 -2.755 0.000) 8.636 12.902 ( -9.601 3.714 0.000) 10.294 13.548 ( 5.400 1.817 0.000) 5.698 13.589 ( 0.535 -0.076 0.000) 0.541 13.932 ( 1.959 1.908 0.000) 2.734 14.287 ( -1.894 2.689 0.000) 3.289 14.476 ( -3.043 -6.850 0.000) 7.496 14.506 ( -0.510 0.075 0.000) 0.515 15.388 ( -10.587 5.135 0.000) 11.766 15.947 ( 10.333 3.389 0.000) 10.874 16.448 ( -3.187 -3.888 0.000) 5.027 17.273 ( -1.513 11.071 0.000) 11.174 17.744 ( -1.230 -0.687 0.000) 1.409 18.099 ( 1.466 -0.960 0.000) 1.752 18.159 ( 0.822 0.624 0.000) 1.033 18.375 ( -1.182 1.721 0.000) 2.088 19.113 ( 0.014 -0.373 0.000) 0.373 19.697 ( 0.037 -0.207 0.000) 0.210 20.377 ( 3.065 -1.639 0.000) 3.476 20.540 ( 0.786 -1.850 0.000) 2.010 20.826 ( 3.475 -1.362 0.000) 3.732 21.423 ( -4.274 7.776 0.000) 8.873 21.632 ( -3.065 -1.131 0.000) 3.267 21.860 ( -6.093 -4.437 0.000) 7.537 25.424 ( -4.235 0.069 0.000) 4.235 25.625 ( 1.474 1.621 0.000) 2.191 30.134 ( 6.253 1.445 0.000) 6.418 30.295 ( 7.151 -0.252 0.000) 7.156 37.966 ( 4.921 -0.562 0.000) 4.953 38.736 ( 3.154 2.266 0.000) 3.883 39.228 ( 0.849 11.887 0.000) 11.917 39.681 ( -14.284 0.107 0.000) 14.285 39.956 ( -5.510 -3.257 0.000) 6.400 41.018 ( 6.127 18.378 0.000) 19.372 41.317 ( 12.073 1.951 0.000) 12.230 42.138 ( -7.174 -27.805 0.000) 28.716 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 8.627 -2.298 0.000) 8.928 1.603 ( -0.762 -10.458 0.000) 10.486 1.987 ( 15.416 -9.753 0.000) 18.242 2.065 ( -0.186 -7.138 0.000) 7.141 2.422 ( -1.996 0.890 0.000) 2.185 2.654 ( 10.450 9.478 0.000) 14.108 3.147 ( -3.631 10.394 0.000) 11.010 3.183 ( 0.649 25.186 0.000) 25.194 3.572 ( -3.969 2.270 0.000) 4.573 3.609 ( 30.002 -24.809 0.000) 38.930 3.790 ( 15.293 14.198 0.000) 20.868 4.053 ( 3.566 3.162 0.000) 4.766 4.177 ( -2.349 -4.071 0.000) 4.700 4.468 ( 10.954 3.676 0.000) 11.554 4.731 ( -2.474 -1.005 0.000) 2.670 4.885 ( -3.741 -3.209 0.000) 4.929 4.888 ( -0.259 1.958 0.000) 1.975 4.931 ( 4.020 -2.868 0.000) 4.938 5.016 ( 13.706 -6.397 0.000) 15.126 5.498 ( -0.158 -0.008 0.000) 0.158 5.858 ( -7.425 2.729 0.000) 7.911 5.880 ( -2.120 10.834 0.000) 11.039 5.922 ( 2.394 -0.302 0.000) 2.413 6.090 ( -1.651 1.517 0.000) 2.242 6.464 ( -1.395 -2.262 0.000) 2.658 6.581 ( 3.603 -1.615 0.000) 3.948 8.053 ( -1.391 4.228 0.000) 4.451 8.163 ( -10.599 -8.541 0.000) 13.612 8.197 ( 5.023 4.304 0.000) 6.615 8.873 ( -9.484 -3.781 0.000) 10.210 9.113 ( -4.914 -3.833 0.000) 6.232 9.269 ( -4.049 0.702 0.000) 4.109 9.282 ( 1.705 -0.300 0.000) 1.731 9.378 ( 2.710 5.071 0.000) 5.750 9.856 ( 4.263 -4.075 0.000) 5.898 11.247 ( 3.933 -12.207 0.000) 12.825 12.411 ( -6.046 -4.812 0.000) 7.727 12.757 ( -7.017 -0.044 0.000) 7.017 13.585 ( 7.829 3.319 0.000) 8.503 13.595 ( 0.354 0.030 0.000) 0.355 13.913 ( 1.837 2.704 0.000) 3.269 14.238 ( -3.132 -0.145 0.000) 3.135 14.500 ( -0.346 -0.027 0.000) 0.347 14.558 ( -0.222 -4.840 0.000) 4.846 15.165 ( -16.592 1.120 0.000) 16.629 16.018 ( 14.014 5.647 0.000) 15.109 16.483 ( -3.644 -4.377 0.000) 5.695 17.067 ( -4.278 8.618 0.000) 9.622 17.747 ( -0.886 -1.200 0.000) 1.492 18.122 ( 1.140 0.766 0.000) 1.373 18.174 ( 1.008 -1.719 0.000) 1.993 18.318 ( -1.348 2.978 0.000) 3.269 19.121 ( 0.020 -0.451 0.000) 0.451 19.701 ( 0.019 -0.243 0.000) 0.244 20.435 ( 2.270 -0.911 0.000) 2.446 20.576 ( -0.384 -1.435 0.000) 1.485 20.898 ( 3.424 -2.292 0.000) 4.120 21.245 ( -3.487 6.527 0.000) 7.400 21.644 ( -2.314 -3.036 0.000) 3.817 21.856 ( -5.185 -3.565 0.000) 6.292 25.379 ( -2.574 -0.119 0.000) 2.577 25.625 ( 2.626 1.254 0.000) 2.910 30.171 ( 4.191 2.091 0.000) 4.684 30.361 ( 4.774 1.434 0.000) 4.985 38.018 ( 3.448 0.907 0.000) 3.566 38.744 ( 3.464 1.875 0.000) 3.938 39.095 ( 0.020 5.876 0.000) 5.876 39.530 ( -9.480 -1.274 0.000) 9.565 39.968 ( -4.832 -5.398 0.000) 7.245 40.865 ( 9.564 10.781 0.000) 14.412 41.395 ( 7.512 3.636 0.000) 8.346 42.389 ( -9.229 -14.671 0.000) 17.333 ======================= Grid point 11 (8/80) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.696 4.501 0.000) 4.555 1.784 ( 7.101 -4.399 0.000) 8.353 2.068 ( -9.929 -2.488 0.000) 10.236 2.219 ( -4.529 -5.816 0.000) 7.372 2.331 ( -1.035 -0.372 0.000) 1.100 2.570 ( -1.301 28.155 0.000) 28.185 2.956 ( 24.318 0.541 0.000) 24.324 3.002 ( -0.453 3.507 0.000) 3.536 3.534 ( 0.283 -1.398 0.000) 1.426 3.714 ( 13.397 11.150 0.000) 17.430 4.005 ( -1.310 3.985 0.000) 4.195 4.075 ( -4.622 0.664 0.000) 4.669 4.274 ( -3.124 11.310 0.000) 11.734 4.444 ( 2.306 8.885 0.000) 9.179 4.651 ( 9.147 -0.147 0.000) 9.148 4.692 ( -4.807 -0.107 0.000) 4.808 4.897 ( -0.786 -1.710 0.000) 1.882 5.057 ( 6.364 -2.918 0.000) 7.001 5.222 ( -0.257 3.680 0.000) 3.689 5.447 ( 0.950 0.660 0.000) 1.157 5.649 ( -6.404 2.287 0.000) 6.800 5.827 ( -6.503 -2.870 0.000) 7.108 5.948 ( 1.434 0.729 0.000) 1.608 6.051 ( -1.102 -0.105 0.000) 1.107 6.454 ( -3.130 0.342 0.000) 3.149 6.650 ( 3.940 -0.463 0.000) 3.967 7.975 ( -2.503 1.703 0.000) 3.027 8.164 ( 2.566 4.455 0.000) 5.141 8.168 ( -10.684 -7.328 0.000) 12.956 8.908 ( -2.782 -8.511 0.000) 8.954 9.132 ( -2.978 -3.957 0.000) 4.952 9.146 ( -4.197 3.476 0.000) 5.449 9.306 ( 2.080 0.364 0.000) 2.112 9.456 ( 9.631 -1.889 0.000) 9.814 10.001 ( 9.677 -1.885 0.000) 9.859 11.472 ( 8.016 -7.518 0.000) 10.990 12.434 ( -3.295 -4.324 0.000) 5.436 12.751 ( -2.354 -5.453 0.000) 5.940 13.595 ( 0.077 0.241 0.000) 0.253 13.616 ( 8.398 5.077 0.000) 9.813 13.904 ( 4.081 1.542 0.000) 4.363 14.210 ( -2.945 -1.018 0.000) 3.116 14.499 ( -0.085 -0.231 0.000) 0.246 14.627 ( -0.538 -3.132 0.000) 3.178 14.950 ( -20.174 -2.286 0.000) 20.303 16.098 ( 14.964 5.680 0.000) 16.006 16.487 ( -5.225 -1.929 0.000) 5.569 16.889 ( -7.835 3.058 0.000) 8.410 17.761 ( -0.331 -1.154 0.000) 1.201 18.113 ( 0.825 1.142 0.000) 1.409 18.229 ( 0.491 -2.501 0.000) 2.548 18.247 ( -1.011 2.822 0.000) 2.997 19.127 ( 0.019 -0.186 0.000) 0.187 19.704 ( -0.003 -0.094 0.000) 0.094 20.456 ( 1.077 0.840 0.000) 1.366 20.565 ( -2.822 0.446 0.000) 2.857 20.968 ( 3.021 0.886 0.000) 3.148 21.149 ( -0.901 -0.170 0.000) 0.917 21.667 ( -0.946 -1.777 0.000) 2.013 21.864 ( -3.998 -3.937 0.000) 5.611 25.379 ( -0.113 -1.966 0.000) 1.969 25.644 ( 3.379 0.982 0.000) 3.519 30.153 ( 0.827 3.598 0.000) 3.692 30.356 ( 1.431 3.590 0.000) 3.864 38.014 ( 0.989 2.585 0.000) 2.768 38.731 ( 0.402 2.547 0.000) 2.579 38.991 ( -2.587 5.025 0.000) 5.652 39.543 ( -0.189 -7.373 0.000) 7.375 40.011 ( -3.686 -5.245 0.000) 6.411 40.876 ( 14.707 5.444 0.000) 15.682 41.366 ( 1.824 6.293 0.000) 6.552 42.455 ( -10.994 -8.308 0.000) 13.780 ======================= Grid point 12 (9/80) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -3.120 10.987 0.000) 11.422 1.881 ( 6.642 4.707 0.000) 8.140 1.919 ( -7.119 24.180 0.000) 25.206 2.080 ( -5.443 3.484 0.000) 6.463 2.124 ( -3.939 -2.529 0.000) 4.681 2.457 ( 0.707 -3.379 0.000) 3.453 3.045 ( 0.701 -9.613 0.000) 9.638 3.168 ( 5.957 21.475 0.000) 22.286 3.534 ( 0.038 28.900 0.000) 28.900 3.618 ( 2.605 -5.168 0.000) 5.787 3.729 ( 11.593 5.359 0.000) 12.771 3.901 ( -16.378 3.859 0.000) 16.827 3.907 ( -3.448 3.012 0.000) 4.578 4.321 ( -2.346 11.310 0.000) 11.551 4.634 ( -3.113 0.849 0.000) 3.226 4.895 ( 3.981 -3.940 0.000) 5.601 4.916 ( 0.536 -0.412 0.000) 0.676 4.983 ( -2.735 15.685 0.000) 15.921 5.154 ( 4.274 -0.174 0.000) 4.278 5.427 ( -1.775 1.385 0.000) 2.252 5.609 ( -6.584 -2.714 0.000) 7.121 5.889 ( -0.077 -10.440 0.000) 10.441 5.912 ( -0.205 3.459 0.000) 3.465 6.096 ( 0.807 -4.707 0.000) 4.776 6.379 ( -3.101 3.681 0.000) 4.813 6.678 ( 2.300 1.880 0.000) 2.971 7.942 ( -2.296 -1.313 0.000) 2.645 8.126 ( 0.778 1.890 0.000) 2.044 8.179 ( -5.042 -5.693 0.000) 7.605 9.047 ( 2.378 -5.255 0.000) 5.768 9.115 ( -3.013 -6.449 0.000) 7.118 9.171 ( -1.058 -3.307 0.000) 3.472 9.312 ( 1.502 1.684 0.000) 2.257 9.591 ( 7.838 0.185 0.000) 7.840 10.110 ( 4.373 0.010 0.000) 4.373 11.767 ( 18.235 -9.299 0.000) 20.469 12.473 ( -3.309 -4.560 0.000) 5.634 12.848 ( 0.708 -5.812 0.000) 5.855 13.589 ( -0.080 0.391 0.000) 0.399 13.606 ( 4.914 5.266 0.000) 7.202 13.993 ( 14.369 0.737 0.000) 14.388 14.206 ( -1.273 -1.665 0.000) 2.096 14.505 ( 0.068 -0.377 0.000) 0.383 14.591 ( -18.861 -3.274 0.000) 19.143 14.790 ( -9.249 -2.233 0.000) 9.515 16.169 ( 12.705 7.111 0.000) 14.559 16.432 ( -6.237 -1.426 0.000) 6.398 16.779 ( -8.998 -2.135 0.000) 9.247 17.775 ( 0.099 -0.504 0.000) 0.514 18.110 ( 0.591 0.167 0.000) 0.614 18.169 ( -1.124 3.360 0.000) 3.543 18.298 ( 0.446 -3.480 0.000) 3.508 19.127 ( 0.008 0.216 0.000) 0.217 19.704 ( -0.010 0.128 0.000) 0.128 20.442 ( 1.419 2.307 0.000) 2.709 20.510 ( -3.596 0.641 0.000) 3.653 20.916 ( 0.374 5.674 0.000) 5.686 21.218 ( 0.383 -5.302 0.000) 5.316 21.677 ( 0.476 0.472 0.000) 0.670 21.899 ( -2.064 -4.722 0.000) 5.154 25.439 ( 1.242 -3.854 0.000) 4.049 25.665 ( 2.689 1.062 0.000) 2.891 30.078 ( -1.134 4.450 0.000) 4.592 30.283 ( -0.737 4.892 0.000) 4.947 37.961 ( -0.665 3.389 0.000) 3.454 38.689 ( 0.207 1.878 0.000) 1.889 38.850 ( -5.333 5.890 0.000) 7.946 39.739 ( 4.626 -10.527 0.000) 11.498 40.046 ( -2.546 -3.089 0.000) 4.003 41.013 ( 15.542 1.414 0.000) 15.606 41.239 ( -2.905 7.035 0.000) 7.611 42.439 ( -8.890 -5.119 0.000) 10.258 ======================= Grid point 13 (10/80) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 0.000 16.930 0.000) 16.930 1.311 ( 0.000 37.283 0.000) 37.283 1.795 ( 0.000 6.722 0.000) 6.722 2.024 ( 0.000 2.105 0.000) 2.105 2.233 ( 0.000 61.549 0.000) 61.549 2.357 ( -0.000 -21.159 0.000) 21.159 2.441 ( 0.000 3.510 0.000) 3.510 3.296 ( -0.000 -16.127 0.000) 16.127 3.523 ( -0.000 -0.438 0.000) 0.438 3.657 ( 0.000 2.601 0.000) 2.601 3.727 ( -0.000 -4.652 0.000) 4.652 3.828 ( 0.000 0.244 0.000) 0.244 3.855 ( -0.000 -0.105 0.000) 0.105 4.053 ( 0.000 11.958 0.000) 11.958 4.594 ( 0.000 1.519 0.000) 1.519 4.652 ( 0.000 20.059 0.000) 20.059 4.887 ( 0.000 5.128 0.000) 5.128 4.919 ( 0.000 0.440 0.000) 0.440 5.155 ( 0.000 3.059 0.000) 3.059 5.454 ( -0.000 -3.064 0.000) 3.064 5.532 ( 0.000 3.111 0.000) 3.111 5.851 ( 0.000 3.087 0.000) 3.087 6.090 ( -0.000 -10.281 0.000) 10.281 6.204 ( -0.000 -6.178 0.000) 6.178 6.276 ( 0.000 4.948 0.000) 4.948 6.640 ( 0.000 3.921 0.000) 3.921 7.962 ( -0.000 -2.612 0.000) 2.612 8.126 ( -0.000 -1.327 0.000) 1.327 8.236 ( -0.000 -3.857 0.000) 3.857 9.124 ( -0.000 -3.841 0.000) 3.841 9.214 ( -0.000 -2.187 0.000) 2.187 9.258 ( -0.000 -9.189 0.000) 9.189 9.283 ( 0.000 2.683 0.000) 2.683 9.606 ( 0.000 3.964 0.000) 3.964 10.124 ( 0.000 0.187 0.000) 0.187 12.165 ( -0.000 -14.264 0.000) 14.264 12.508 ( -0.000 -3.931 0.000) 3.931 12.931 ( -0.000 -2.751 0.000) 2.751 13.563 ( 0.000 3.676 0.000) 3.676 13.582 ( 0.000 0.371 0.000) 0.371 14.216 ( -0.000 -0.752 0.000) 0.752 14.230 ( -0.000 -1.391 0.000) 1.391 14.342 ( -0.000 -1.540 0.000) 1.540 14.512 ( -0.000 -0.358 0.000) 0.358 14.764 ( 0.000 0.143 0.000) 0.143 16.119 ( 0.000 6.958 0.000) 6.958 16.433 ( -0.000 -2.616 0.000) 2.616 16.753 ( -0.000 -2.586 0.000) 2.586 17.778 ( 0.000 0.214 0.000) 0.214 18.106 ( 0.000 2.786 0.000) 2.786 18.123 ( -0.000 -0.941 0.000) 0.941 18.357 ( -0.000 -2.982 0.000) 2.982 19.120 ( 0.000 0.467 0.000) 0.467 19.700 ( 0.000 0.268 0.000) 0.268 20.405 ( 0.000 3.138 0.000) 3.138 20.484 ( -0.000 -0.569 0.000) 0.569 20.822 ( 0.000 4.929 0.000) 4.929 21.293 ( -0.000 -3.618 0.000) 3.618 21.656 ( 0.000 2.202 0.000) 2.202 21.970 ( -0.000 -4.392 0.000) 4.392 25.521 ( -0.000 -4.187 0.000) 4.187 25.666 ( 0.000 1.003 0.000) 1.003 29.995 ( 0.000 3.737 0.000) 3.737 30.193 ( 0.000 4.368 0.000) 4.368 37.899 ( 0.000 2.878 0.000) 2.878 38.675 ( 0.000 7.385 0.000) 7.385 38.691 ( -0.000 -0.567 0.000) 0.567 39.954 ( -0.000 -9.206 0.000) 9.206 40.056 ( -0.000 -0.335 0.000) 0.335 41.069 ( 0.000 5.929 0.000) 5.929 41.158 ( -0.000 -1.511 0.000) 1.511 42.456 ( -0.000 -3.501 0.000) 3.501 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 17.564 -0.000 0.000) 17.564 1.324 ( -7.567 0.000 0.000) 7.567 1.756 ( 26.239 -0.000 0.000) 26.239 1.977 ( -1.362 0.000 0.000) 1.362 2.410 ( 1.701 -0.000 0.000) 1.701 2.926 ( 1.849 -0.000 0.000) 1.849 2.991 ( 52.202 -0.000 0.000) 52.202 3.428 ( -11.558 0.000 0.000) 11.558 3.568 ( -2.332 0.000 0.000) 2.332 3.824 ( 3.377 -0.000 0.000) 3.377 4.069 ( -7.331 0.000 0.000) 7.331 4.145 ( 6.519 -0.000 0.000) 6.519 4.294 ( 9.424 -0.000 0.000) 9.424 4.466 ( 18.965 -0.000 0.000) 18.965 4.697 ( -2.595 0.000 0.000) 2.595 4.768 ( 16.812 -0.000 0.000) 16.812 4.802 ( -3.210 0.000 0.000) 3.210 4.864 ( 19.262 -0.000 0.000) 19.262 4.867 ( 1.683 -0.000 0.000) 1.683 5.419 ( -0.409 0.000 0.000) 0.409 5.938 ( 4.113 -0.000 0.000) 4.113 5.952 ( -10.068 0.000 0.000) 10.068 6.100 ( -1.400 0.000 0.000) 1.400 6.224 ( 1.062 -0.000 0.000) 1.062 6.415 ( -2.466 0.000 0.000) 2.466 6.541 ( 4.407 -0.000 0.000) 4.407 7.947 ( -15.032 0.000 0.000) 15.032 8.171 ( -0.338 0.000 0.000) 0.338 8.285 ( 7.214 -0.000 0.000) 7.214 8.810 ( -14.940 0.000 0.000) 14.940 9.023 ( -6.381 0.000 0.000) 6.381 9.166 ( -0.992 0.000 0.000) 0.992 9.268 ( 0.548 -0.000 0.000) 0.548 9.548 ( -3.500 0.000 0.000) 3.500 9.736 ( 12.711 -0.000 0.000) 12.711 10.903 ( 10.918 -0.000 0.000) 10.918 12.294 ( -9.033 0.000 0.000) 9.033 12.796 ( -11.772 0.000 0.000) 11.772 13.595 ( 0.577 -0.000 0.000) 0.577 13.658 ( 9.427 -0.000 0.000) 9.427 13.983 ( 2.618 -0.000 0.000) 2.618 14.243 ( -7.867 0.000 0.000) 7.867 14.420 ( 3.720 -0.000 0.000) 3.720 14.500 ( -0.560 0.000 0.000) 0.560 15.209 ( -20.999 0.000 0.000) 20.999 16.171 ( 17.069 -0.000 0.000) 17.069 16.352 ( -4.948 0.000 0.000) 4.948 17.296 ( -8.797 0.000 0.000) 8.797 17.722 ( -1.242 0.000 0.000) 1.242 18.110 ( 1.615 -0.000 0.000) 1.615 18.175 ( 0.839 -0.000 0.000) 0.839 18.375 ( -1.351 0.000 0.000) 1.351 19.110 ( 0.021 -0.000 0.000) 0.021 19.695 ( 0.041 -0.000 0.000) 0.041 20.403 ( 3.156 -0.000 0.000) 3.156 20.528 ( 0.394 -0.000 0.000) 0.394 20.864 ( 4.192 -0.000 0.000) 4.192 21.479 ( -0.993 0.000 0.000) 0.993 21.493 ( -11.706 0.000 0.000) 11.706 21.756 ( -4.271 0.000 0.000) 4.271 25.377 ( -3.546 0.000 0.000) 3.546 25.666 ( 2.228 -0.000 0.000) 2.228 30.225 ( 5.949 -0.000 0.000) 5.949 30.389 ( 7.561 -0.000 0.000) 7.561 38.032 ( 6.087 -0.000 0.000) 6.087 38.802 ( 4.285 -0.000 0.000) 4.285 39.262 ( -8.121 0.000 0.000) 8.121 39.501 ( -13.714 0.000 0.000) 13.714 39.857 ( -5.776 0.000 0.000) 5.776 41.332 ( 3.550 -0.000 0.000) 3.550 41.620 ( 10.733 -0.000 0.000) 10.733 41.650 ( 1.621 -0.000 0.000) 1.621 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.424 -2.358 0.000) 2.396 1.438 ( 10.012 -9.592 0.000) 13.866 1.963 ( -3.806 -2.509 0.000) 4.558 2.059 ( 12.138 -3.398 0.000) 12.605 2.424 ( 0.235 0.810 0.000) 0.844 2.926 ( 11.002 4.861 0.000) 12.028 3.237 ( -6.915 6.177 0.000) 9.272 3.505 ( 6.511 8.439 0.000) 10.659 3.538 ( -3.451 0.503 0.000) 3.487 3.791 ( 27.723 -0.506 0.000) 27.727 4.037 ( -6.393 -5.140 0.000) 8.203 4.176 ( 4.409 4.364 0.000) 6.203 4.235 ( 11.005 15.202 0.000) 18.768 4.661 ( -4.636 -1.382 0.000) 4.837 4.724 ( 16.678 -0.669 0.000) 16.691 4.793 ( -2.404 -3.006 0.000) 3.848 4.884 ( 5.159 2.747 0.000) 5.844 4.933 ( 4.274 -2.688 0.000) 5.049 5.153 ( 18.067 -1.530 0.000) 18.132 5.465 ( -0.860 -3.730 0.000) 3.828 5.776 ( -12.062 2.663 0.000) 12.352 5.969 ( 3.275 1.345 0.000) 3.540 6.086 ( -1.302 0.249 0.000) 1.326 6.104 ( -0.545 14.372 0.000) 14.382 6.405 ( -1.711 -1.753 0.000) 2.450 6.601 ( 3.467 -1.419 0.000) 3.746 7.844 ( -14.152 -8.450 0.000) 16.483 8.122 ( -0.676 4.667 0.000) 4.715 8.334 ( 5.249 3.565 0.000) 6.346 8.678 ( -10.359 -3.641 0.000) 10.980 8.982 ( -5.196 -3.635 0.000) 6.342 9.203 ( -0.997 -4.490 0.000) 4.600 9.284 ( 0.760 -1.001 0.000) 1.257 9.452 ( -3.013 4.709 0.000) 5.590 9.926 ( 13.284 -2.144 0.000) 13.456 11.106 ( 5.592 -10.028 0.000) 11.482 12.238 ( -6.667 -5.064 0.000) 8.373 12.660 ( -8.462 0.137 0.000) 8.464 13.601 ( 0.403 0.082 0.000) 0.411 13.768 ( 12.436 2.889 0.000) 12.767 13.986 ( 1.865 2.229 0.000) 2.906 14.172 ( -4.560 -0.908 0.000) 4.650 14.488 ( 0.488 -3.409 0.000) 3.444 14.494 ( -0.399 -0.077 0.000) 0.407 14.943 ( -20.015 0.679 0.000) 20.027 16.262 ( 4.149 3.183 0.000) 5.230 16.404 ( 8.334 -2.057 0.000) 8.584 17.112 ( -10.502 6.470 0.000) 12.335 17.717 ( -0.887 -0.925 0.000) 1.282 18.137 ( 1.444 -0.867 0.000) 1.685 18.177 ( 0.605 0.737 0.000) 0.954 18.343 ( -1.264 1.715 0.000) 2.130 19.113 ( 0.023 -0.374 0.000) 0.375 19.697 ( 0.026 -0.190 0.000) 0.191 20.447 ( 1.991 -1.187 0.000) 2.318 20.544 ( -0.175 -1.190 0.000) 1.203 20.918 ( 3.745 -0.673 0.000) 3.805 21.294 ( -6.499 5.374 0.000) 8.434 21.540 ( -1.385 -4.878 0.000) 5.071 21.726 ( -5.325 -3.024 0.000) 6.124 25.342 ( -2.363 -0.351 0.000) 2.388 25.684 ( 2.728 1.118 0.000) 2.948 30.268 ( 4.288 2.414 0.000) 4.921 30.456 ( 5.256 1.734 0.000) 5.534 38.091 ( 4.593 1.412 0.000) 4.805 38.842 ( 5.403 2.562 0.000) 5.980 39.143 ( -4.669 3.263 0.000) 5.696 39.360 ( -11.419 -2.535 0.000) 11.697 39.828 ( -4.517 -4.043 0.000) 6.062 41.202 ( 6.668 12.519 0.000) 14.184 41.574 ( 8.051 5.405 0.000) 9.697 41.991 ( -4.693 -17.462 0.000) 18.082 ======================= Grid point 18 (13/80) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.529 0.538 0.000) 0.754 1.757 ( 10.984 -10.549 0.000) 15.230 1.993 ( -6.639 -8.848 0.000) 11.062 2.053 ( -3.198 7.878 0.000) 8.502 2.363 ( -1.860 4.672 0.000) 5.028 2.991 ( 7.243 17.546 0.000) 18.982 3.086 ( -1.204 5.855 0.000) 5.978 3.273 ( 9.744 3.589 0.000) 10.384 3.498 ( -1.746 -0.948 0.000) 1.986 3.997 ( -6.371 1.802 0.000) 6.621 4.041 ( 4.997 9.802 0.000) 11.002 4.104 ( 0.811 7.260 0.000) 7.306 4.340 ( 19.740 -6.939 0.000) 20.924 4.634 ( -2.912 -0.876 0.000) 3.041 4.738 ( -3.355 16.328 0.000) 16.669 4.839 ( -0.547 -3.965 0.000) 4.003 4.877 ( 15.091 6.307 0.000) 16.356 5.045 ( 3.091 -4.720 0.000) 5.642 5.267 ( 1.030 2.880 0.000) 3.058 5.465 ( -1.365 0.416 0.000) 1.427 5.603 ( -11.072 0.561 0.000) 11.086 5.814 ( -1.159 13.777 0.000) 13.826 5.985 ( 2.594 0.742 0.000) 2.698 6.048 ( -1.938 1.738 0.000) 2.603 6.419 ( -1.209 -1.413 0.000) 1.859 6.667 ( 2.196 -1.874 0.000) 2.887 7.872 ( -9.010 -11.212 0.000) 14.384 8.018 ( -0.993 5.488 0.000) 5.577 8.291 ( 2.178 6.235 0.000) 6.605 8.704 ( -3.625 -9.150 0.000) 9.842 9.016 ( -2.397 -5.374 0.000) 5.884 9.192 ( -1.833 4.892 0.000) 5.224 9.315 ( 0.819 -1.254 0.000) 1.498 9.453 ( 2.708 -6.340 0.000) 6.894 10.100 ( 8.869 -1.274 0.000) 8.960 11.346 ( 2.311 -12.654 0.000) 12.863 12.298 ( -2.555 -7.411 0.000) 7.839 12.620 ( -3.256 -4.286 0.000) 5.383 13.601 ( 0.143 0.262 0.000) 0.298 13.816 ( 6.002 6.288 0.000) 8.693 14.021 ( 10.998 0.538 0.000) 11.011 14.156 ( -1.187 -1.231 0.000) 1.710 14.479 ( -14.274 -2.579 0.000) 14.505 14.493 ( -0.147 -0.250 0.000) 0.290 14.754 ( -7.616 -0.472 0.000) 7.630 16.268 ( 0.852 -1.003 0.000) 1.316 16.517 ( 12.054 4.264 0.000) 12.786 16.852 ( -12.473 6.574 0.000) 14.099 17.731 ( -0.384 -1.579 0.000) 1.625 18.151 ( 0.948 1.609 0.000) 1.868 18.189 ( 0.214 -2.252 0.000) 2.262 18.289 ( -0.816 2.993 0.000) 3.102 19.121 ( 0.016 -0.449 0.000) 0.449 19.701 ( 0.005 -0.222 0.000) 0.222 20.478 ( 0.986 -0.134 0.000) 0.995 20.545 ( -1.282 0.369 0.000) 1.334 20.994 ( 3.947 -3.094 0.000) 5.015 21.152 ( -4.081 4.064 0.000) 5.760 21.615 ( 1.081 -3.846 0.000) 3.995 21.729 ( -4.734 -4.594 0.000) 6.596 25.340 ( -0.733 -1.671 0.000) 1.825 25.698 ( 2.258 0.916 0.000) 2.437 30.244 ( 1.573 4.559 0.000) 4.822 30.450 ( 2.038 4.147 0.000) 4.621 38.087 ( 1.750 3.440 0.000) 3.860 38.816 ( 1.911 5.731 0.000) 6.041 39.045 ( -2.105 3.788 0.000) 4.334 39.367 ( -3.456 -9.466 0.000) 10.078 39.875 ( -2.317 -5.815 0.000) 6.260 41.148 ( 9.674 6.509 0.000) 11.660 41.527 ( 2.763 8.133 0.000) 8.590 42.144 ( -8.137 -11.358 0.000) 13.972 ======================= Grid point 19 (14/80) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 6.949 0.000) 6.949 1.896 ( 0.000 3.244 0.000) 3.244 1.981 ( -0.000 -4.656 0.000) 4.656 2.049 ( 0.000 0.388 0.000) 0.388 2.334 ( -0.000 -6.966 0.000) 6.966 2.553 ( 0.000 30.239 0.000) 30.239 2.997 ( 0.000 2.900 0.000) 2.900 3.460 ( -0.000 -1.655 0.000) 1.655 3.544 ( -0.000 -4.782 0.000) 4.782 3.818 ( 0.000 7.543 0.000) 7.543 3.919 ( 0.000 7.964 0.000) 7.964 3.977 ( 0.000 6.991 0.000) 6.991 4.178 ( 0.000 39.412 0.000) 39.412 4.508 ( 0.000 5.430 0.000) 5.430 4.623 ( 0.000 0.043 0.000) 0.043 4.894 ( -0.000 -2.446 0.000) 2.446 4.910 ( 0.000 2.403 0.000) 2.403 5.144 ( -0.000 -3.783 0.000) 3.783 5.146 ( 0.000 6.866 0.000) 6.866 5.453 ( 0.000 2.468 0.000) 2.468 5.543 ( -0.000 -1.376 0.000) 1.376 5.714 ( -0.000 -5.075 0.000) 5.075 5.975 ( 0.000 3.555 0.000) 3.555 6.030 ( -0.000 -2.765 0.000) 2.765 6.411 ( 0.000 1.518 0.000) 1.518 6.704 ( -0.000 -0.496 0.000) 0.496 7.938 ( 0.000 2.533 0.000) 2.533 8.004 ( -0.000 -9.941 0.000) 9.941 8.197 ( 0.000 5.474 0.000) 5.474 8.872 ( -0.000 -11.904 0.000) 11.904 9.092 ( -0.000 -4.878 0.000) 4.878 9.100 ( 0.000 3.186 0.000) 3.186 9.334 ( -0.000 -0.092 0.000) 0.092 9.595 ( -0.000 -5.424 0.000) 5.424 10.155 ( 0.000 0.951 0.000) 0.951 11.614 ( -0.000 -16.072 0.000) 16.072 12.384 ( -0.000 -4.125 0.000) 4.125 12.720 ( -0.000 -8.400 0.000) 8.400 13.596 ( 0.000 0.399 0.000) 0.399 13.734 ( 0.000 6.290 0.000) 6.290 14.153 ( -0.000 -2.564 0.000) 2.564 14.237 ( 0.000 2.286 0.000) 2.286 14.274 ( -0.000 -2.679 0.000) 2.679 14.498 ( -0.000 -0.383 0.000) 0.383 14.743 ( -0.000 -1.217 0.000) 1.217 16.318 ( -0.000 -3.431 0.000) 3.431 16.466 ( 0.000 12.371 0.000) 12.371 16.693 ( -0.000 -0.543 0.000) 0.543 17.757 ( -0.000 -1.500 0.000) 1.500 18.128 ( 0.000 1.385 0.000) 1.385 18.221 ( 0.000 2.612 0.000) 2.612 18.245 ( -0.000 -2.225 0.000) 2.225 19.127 ( -0.000 -0.180 0.000) 0.180 19.704 ( -0.000 -0.084 0.000) 0.084 20.481 ( 0.000 0.425 0.000) 0.425 20.508 ( 0.000 2.268 0.000) 2.268 21.025 ( 0.000 6.050 0.000) 6.050 21.122 ( -0.000 -6.106 0.000) 6.106 21.674 ( -0.000 -1.605 0.000) 1.605 21.786 ( -0.000 -5.774 0.000) 5.774 25.380 ( -0.000 -3.345 0.000) 3.345 25.699 ( 0.000 0.875 0.000) 0.875 30.162 ( 0.000 5.515 0.000) 5.515 30.374 ( 0.000 5.556 0.000) 5.556 38.027 ( 0.000 4.233 0.000) 4.233 38.734 ( 0.000 3.948 0.000) 3.948 38.945 ( 0.000 6.610 0.000) 6.610 39.554 ( -0.000 -12.786 0.000) 12.786 39.956 ( -0.000 -5.106 0.000) 5.106 41.153 ( 0.000 2.177 0.000) 2.177 41.374 ( 0.000 10.424 0.000) 10.424 42.251 ( -0.000 -8.520 0.000) 8.520 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -4.405 0.000 0.000) 4.405 1.552 ( 15.933 -0.000 0.000) 15.933 1.870 ( -8.058 0.000 0.000) 8.058 2.150 ( 6.140 -0.000 0.000) 6.140 2.443 ( 0.798 -0.000 0.000) 0.798 3.072 ( 9.457 -0.000 0.000) 9.457 3.194 ( -5.973 0.000 0.000) 5.973 3.524 ( -1.058 0.000 0.000) 1.058 3.708 ( 3.796 -0.000 0.000) 3.796 3.776 ( -12.399 0.000 0.000) 12.399 4.130 ( 19.766 -0.000 0.000) 19.766 4.268 ( 2.976 -0.000 0.000) 2.976 4.504 ( 7.685 -0.000 0.000) 7.685 4.599 ( -2.813 0.000 0.000) 2.813 4.737 ( -1.706 0.000 0.000) 1.706 4.784 ( 7.211 -0.000 0.000) 7.211 4.949 ( 2.427 -0.000 0.000) 2.427 5.109 ( 10.892 -0.000 0.000) 10.892 5.324 ( 5.990 -0.000 0.000) 5.990 5.437 ( 7.528 -0.000 0.000) 7.528 5.635 ( -14.271 0.000 0.000) 14.271 6.019 ( 2.070 -0.000 0.000) 2.070 6.076 ( -0.500 0.000 0.000) 0.500 6.253 ( 0.845 -0.000 0.000) 0.845 6.373 ( -0.910 0.000 0.000) 0.910 6.619 ( 1.750 -0.000 0.000) 1.750 7.613 ( -9.531 0.000 0.000) 9.531 8.164 ( -0.164 0.000 0.000) 0.164 8.422 ( 3.403 -0.000 0.000) 3.403 8.535 ( -6.411 0.000 0.000) 6.411 8.890 ( -3.531 0.000 0.000) 3.531 9.143 ( -0.424 0.000 0.000) 0.424 9.278 ( 0.247 -0.000 0.000) 0.247 9.464 ( -2.360 0.000 0.000) 2.360 10.044 ( 8.382 -0.000 0.000) 8.382 11.076 ( 3.746 -0.000 0.000) 3.746 12.115 ( -4.710 0.000 0.000) 4.710 12.572 ( -5.256 0.000 0.000) 5.256 13.606 ( 0.246 -0.000 0.000) 0.246 13.965 ( 14.405 -0.000 0.000) 14.405 14.005 ( -1.035 0.000 0.000) 1.035 14.133 ( -0.662 0.000 0.000) 0.662 14.432 ( -6.557 0.000 0.000) 6.557 14.489 ( -0.246 0.000 0.000) 0.246 14.748 ( -11.053 0.000 0.000) 11.053 16.242 ( -3.074 0.000 0.000) 3.074 16.590 ( 15.780 -0.000 0.000) 15.780 17.025 ( -12.514 0.000 0.000) 12.514 17.699 ( -0.506 0.000 0.000) 0.506 18.141 ( 0.766 -0.000 0.000) 0.766 18.193 ( 0.488 -0.000 0.000) 0.488 18.345 ( -0.810 0.000 0.000) 0.810 19.110 ( 0.013 -0.000 0.000) 0.013 19.696 ( 0.018 -0.000 0.000) 0.018 20.445 ( 0.372 -0.000 0.000) 0.372 20.541 ( 0.660 -0.000 0.000) 0.660 20.956 ( 2.813 -0.000 0.000) 2.813 21.251 ( -6.591 0.000 0.000) 6.591 21.508 ( 3.037 -0.000 0.000) 3.037 21.636 ( -4.937 0.000 0.000) 4.937 25.316 ( -1.323 0.000 0.000) 1.323 25.718 ( 1.449 -0.000 0.000) 1.449 30.334 ( 2.499 -0.000 0.000) 2.499 30.526 ( 3.120 -0.000 0.000) 3.120 38.155 ( 3.094 -0.000 0.000) 3.094 38.944 ( 7.184 -0.000 0.000) 7.184 39.121 ( -3.014 0.000 0.000) 3.014 39.196 ( -10.702 0.000 0.000) 10.702 39.740 ( -3.027 0.000 0.000) 3.027 41.332 ( -1.211 0.000 0.000) 1.211 41.731 ( 2.765 -0.000 0.000) 2.765 41.811 ( 4.301 -0.000 0.000) 4.301 ======================= Grid point 25 (16/80) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.000 -6.512 0.000) 6.512 1.731 ( -0.000 -4.739 0.000) 4.739 1.806 ( -0.000 -3.686 0.000) 3.686 2.156 ( 0.000 4.051 0.000) 4.051 2.423 ( 0.000 2.918 0.000) 2.918 3.142 ( 0.000 2.000 0.000) 2.000 3.210 ( -0.000 -7.042 0.000) 7.042 3.406 ( 0.000 19.713 0.000) 19.713 3.495 ( 0.000 1.830 0.000) 1.830 3.908 ( -0.000 -7.827 0.000) 7.827 4.208 ( 0.000 5.450 0.000) 5.450 4.232 ( 0.000 5.826 0.000) 5.826 4.509 ( 0.000 4.560 0.000) 4.560 4.596 ( -0.000 -1.345 0.000) 1.345 4.762 ( -0.000 -3.836 0.000) 3.836 4.808 ( 0.000 2.563 0.000) 2.563 4.992 ( -0.000 -3.139 0.000) 3.139 5.220 ( -0.000 -1.869 0.000) 1.869 5.229 ( 0.000 10.207 0.000) 10.207 5.481 ( 0.000 2.348 0.000) 2.348 5.538 ( -0.000 -0.229 0.000) 0.229 6.022 ( 0.000 1.051 0.000) 1.051 6.062 ( 0.000 1.289 0.000) 1.289 6.107 ( 0.000 16.083 0.000) 16.083 6.383 ( -0.000 -1.639 0.000) 1.639 6.646 ( -0.000 -1.758 0.000) 1.758 7.632 ( -0.000 -8.690 0.000) 8.690 8.113 ( 0.000 5.278 0.000) 5.278 8.403 ( 0.000 4.494 0.000) 4.494 8.546 ( -0.000 -5.714 0.000) 5.714 8.910 ( -0.000 -4.486 0.000) 4.486 9.197 ( -0.000 -4.298 0.000) 4.298 9.294 ( -0.000 -1.451 0.000) 1.451 9.412 ( 0.000 2.292 0.000) 2.292 10.123 ( -0.000 -2.499 0.000) 2.499 11.172 ( -0.000 -8.118 0.000) 8.118 12.146 ( -0.000 -6.700 0.000) 6.700 12.551 ( -0.000 -1.411 0.000) 1.411 13.606 ( 0.000 0.155 0.000) 0.155 13.949 ( 0.000 4.972 0.000) 4.972 14.088 ( -0.000 -0.803 0.000) 0.803 14.168 ( -0.000 -3.109 0.000) 3.109 14.332 ( 0.000 2.148 0.000) 2.148 14.489 ( -0.000 -0.148 0.000) 0.148 14.698 ( -0.000 -1.069 0.000) 1.069 16.233 ( -0.000 -1.313 0.000) 1.313 16.711 ( 0.000 0.981 0.000) 0.981 16.848 ( 0.000 7.479 0.000) 7.479 17.705 ( -0.000 -1.006 0.000) 1.006 18.157 ( -0.000 -1.329 0.000) 1.329 18.185 ( 0.000 1.262 0.000) 1.262 18.325 ( 0.000 1.717 0.000) 1.717 19.114 ( -0.000 -0.377 0.000) 0.377 19.698 ( -0.000 -0.180 0.000) 0.180 20.465 ( -0.000 -1.659 0.000) 1.659 20.545 ( 0.000 0.136 0.000) 0.136 20.978 ( -0.000 -0.946 0.000) 0.946 21.184 ( 0.000 2.698 0.000) 2.698 21.569 ( -0.000 -3.192 0.000) 3.192 21.622 ( -0.000 -3.014 0.000) 3.014 25.313 ( -0.000 -0.716 0.000) 0.716 25.723 ( 0.000 0.466 0.000) 0.466 30.323 ( 0.000 2.999 0.000) 2.999 30.523 ( 0.000 2.510 0.000) 2.510 38.153 ( 0.000 2.422 0.000) 2.422 38.950 ( 0.000 6.492 0.000) 6.492 39.072 ( 0.000 1.587 0.000) 1.587 39.187 ( -0.000 -7.153 0.000) 7.153 39.766 ( -0.000 -4.719 0.000) 4.719 41.288 ( 0.000 3.804 0.000) 3.804 41.676 ( 0.000 6.373 0.000) 6.373 41.930 ( -0.000 -8.291 0.000) 8.291 ======================= Grid point 51 (17/80) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 0.000 21.304) 21.304 0.428 ( 0.000 0.000 22.422) 22.422 1.010 ( 0.000 0.000 48.631) 48.631 2.202 ( 0.000 0.000 22.909) 22.909 2.387 ( 0.000 0.000 4.819) 4.819 2.438 ( 0.000 0.000 7.808) 7.808 2.829 ( 0.000 0.000 -0.139) 0.139 3.529 ( 0.000 0.000 -7.314) 7.314 3.545 ( 0.000 0.000 -12.830) 12.830 3.595 ( 0.000 0.000 -4.852) 4.852 3.754 ( 0.000 0.000 -0.427) 0.427 3.820 ( 0.000 0.000 -3.040) 3.040 3.991 ( 0.000 0.000 1.730) 1.730 4.018 ( 0.000 0.000 9.197) 9.197 4.067 ( 0.000 0.000 9.322) 9.322 4.521 ( 0.000 0.000 -2.865) 2.865 4.720 ( 0.000 0.000 0.974) 0.974 4.971 ( 0.000 0.000 -7.233) 7.233 5.405 ( 0.000 0.000 -2.423) 2.423 5.468 ( 0.000 0.000 5.096) 5.096 5.566 ( 0.000 0.000 7.360) 7.360 5.786 ( 0.000 0.000 -0.987) 0.987 6.228 ( 0.000 0.000 -4.212) 4.212 6.281 ( 0.000 0.000 10.237) 10.237 6.524 ( 0.000 0.000 0.070) 0.070 6.841 ( 0.000 0.000 8.188) 8.188 7.976 ( 0.000 0.000 -4.256) 4.256 8.324 ( 0.000 0.000 2.469) 2.469 9.069 ( 0.000 0.000 2.698) 2.698 9.086 ( 0.000 0.000 -1.748) 1.748 9.177 ( 0.000 0.000 -3.093) 3.093 9.217 ( 0.000 0.000 -3.530) 3.530 9.451 ( 0.000 0.000 2.886) 2.886 9.462 ( 0.000 0.000 -0.475) 0.475 9.941 ( 0.000 0.000 -2.896) 2.896 10.119 ( 0.000 0.000 -1.140) 1.140 12.607 ( 0.000 0.000 0.892) 0.892 12.945 ( 0.000 0.000 -1.107) 1.107 13.508 ( 0.000 0.000 1.784) 1.784 13.600 ( 0.000 0.000 2.493) 2.493 13.901 ( 0.000 0.000 -0.529) 0.529 14.214 ( 0.000 0.000 -2.472) 2.472 14.371 ( 0.000 0.000 -0.868) 0.868 14.450 ( 0.000 0.000 -3.208) 3.208 14.616 ( 0.000 0.000 6.009) 6.009 15.954 ( 0.000 0.000 -4.941) 4.941 16.476 ( 0.000 0.000 -0.051) 0.051 16.778 ( 0.000 0.000 -3.142) 3.142 17.852 ( 0.000 0.000 8.157) 8.157 18.294 ( 0.000 0.000 14.443) 14.443 18.467 ( 0.000 0.000 7.248) 7.248 19.100 ( 0.000 0.000 -0.991) 0.991 19.668 ( 0.000 0.000 -2.537) 2.537 20.320 ( 0.000 0.000 3.676) 3.676 20.493 ( 0.000 0.000 -0.665) 0.665 20.724 ( 0.000 0.000 -0.803) 0.803 21.356 ( 0.000 0.000 -0.975) 0.975 21.524 ( 0.000 0.000 0.525) 0.525 21.572 ( 0.000 0.000 -2.208) 2.208 21.827 ( 0.000 0.000 -1.635) 1.635 25.520 ( 0.000 0.000 0.182) 0.182 25.623 ( 0.000 0.000 -0.507) 0.507 29.933 ( 0.000 0.000 0.486) 0.486 30.106 ( 0.000 0.000 -0.619) 0.619 37.868 ( 0.000 0.000 2.059) 2.059 38.520 ( 0.000 0.000 -1.675) 1.675 38.736 ( 0.000 0.000 2.518) 2.518 39.559 ( 0.000 0.000 -1.972) 1.972 40.071 ( 0.000 0.000 1.515) 1.515 40.132 ( 0.000 0.000 1.323) 1.323 40.947 ( 0.000 0.000 -3.332) 3.332 41.145 ( 0.000 0.000 -4.803) 4.803 ======================= Grid point 52 (18/80) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 13.772 -25.777 10.280) 30.981 1.025 ( 10.162 -11.675 33.146) 36.582 1.499 ( 31.253 -43.541 12.005) 54.925 2.044 ( -12.321 9.612 20.183) 25.525 2.231 ( 1.100 -0.613 22.740) 22.775 2.479 ( -0.031 -4.370 8.730) 9.762 2.737 ( 4.563 12.690 0.389) 13.491 3.399 ( -1.043 10.978 -10.153) 14.989 3.538 ( -5.883 7.762 -2.109) 9.965 3.622 ( 2.462 -0.754 -8.594) 8.972 3.658 ( 3.477 -2.364 -3.587) 5.527 3.866 ( 1.605 4.296 3.181) 5.581 3.978 ( 9.214 0.182 2.159) 9.465 4.107 ( 12.820 2.794 6.002) 14.429 4.333 ( 6.125 -17.253 1.748) 18.391 4.568 ( 2.817 -3.096 -1.849) 4.576 4.780 ( -0.751 -7.243 0.576) 7.305 5.007 ( -1.115 -3.799 -5.032) 6.403 5.204 ( -8.624 6.058 18.783) 21.537 5.441 ( -0.535 -0.320 2.298) 2.381 5.656 ( 11.998 3.976 -2.672) 12.920 5.827 ( 2.065 -2.836 0.085) 3.510 6.150 ( -3.490 4.983 -4.278) 7.437 6.281 ( -2.525 0.636 8.671) 9.053 6.459 ( 2.585 7.329 5.461) 9.499 6.659 ( -0.054 2.479 11.523) 11.787 7.982 ( 3.132 1.616 -4.212) 5.492 8.300 ( -1.524 1.877 2.819) 3.714 8.347 ( -2.766 14.600 13.257) 19.914 9.123 ( -1.776 -0.982 -5.412) 5.780 9.169 ( -4.324 2.246 -4.845) 6.871 9.238 ( 0.241 3.095 0.270) 3.116 9.424 ( -1.432 1.409 4.610) 5.029 9.516 ( -2.668 -4.158 1.302) 5.109 10.083 ( -7.459 -3.037 -2.692) 8.491 10.984 ( -28.544 -55.845 -30.412) 69.702 12.574 ( -2.139 1.193 0.116) 2.452 12.967 ( 1.534 3.220 -4.215) 5.522 13.501 ( -1.988 -1.108 1.054) 2.508 13.603 ( 0.028 -0.293 2.395) 2.413 13.921 ( -3.254 -1.367 -1.764) 3.946 14.292 ( -0.575 4.072 -0.734) 4.177 14.510 ( 5.494 -0.836 -3.751) 6.704 14.529 ( 17.721 -0.899 -8.768) 19.791 14.685 ( 13.233 -5.378 -6.700) 15.777 15.937 ( -6.035 -2.205 -4.996) 8.139 16.466 ( -0.007 0.473 -0.407) 0.624 16.821 ( 8.743 2.258 -6.811) 11.310 17.855 ( -0.021 -0.316 8.296) 8.302 18.289 ( 0.497 0.816 14.504) 14.535 18.452 ( -0.178 1.620 7.912) 8.078 19.104 ( -0.047 -0.392 -0.882) 0.967 19.578 ( -37.348 54.990 70.174) 96.660 19.674 ( -1.135 1.384 0.609) 1.891 20.388 ( -3.088 -1.933 4.816) 6.039 20.510 ( 1.533 0.046 0.211) 1.548 20.759 ( 1.333 -2.408 -0.479) 2.794 21.424 ( 7.443 10.804 -0.950) 13.154 21.598 ( 1.350 -1.417 -2.025) 2.816 21.955 ( -2.940 -1.337 -4.385) 5.446 25.533 ( -4.022 -0.602 -1.150) 4.227 25.610 ( -0.495 0.527 -1.050) 1.275 29.986 ( 5.029 -0.594 0.042) 5.064 30.149 ( 3.442 -2.113 -0.637) 4.088 37.897 ( 2.284 -1.523 2.097) 3.455 38.684 ( 6.327 4.578 -0.178) 7.812 38.832 ( 23.044 9.296 -2.796) 25.005 39.968 ( -9.004 0.050 -3.269) 9.579 40.073 ( -2.689 0.087 1.004) 2.872 40.767 ( -5.474 -24.889 -34.369) 42.786 41.042 ( 2.597 -4.583 -3.824) 6.509 41.437 ( 24.576 -37.283 -36.712) 57.808 ======================= Grid point 53 (19/80) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 8.086 -9.159 32.921) 35.115 1.503 ( 14.701 -27.490 3.929) 31.421 1.876 ( -6.865 -1.908 13.568) 15.325 2.266 ( 1.292 -2.041 20.182) 20.326 2.393 ( 8.502 -12.575 -2.372) 15.364 2.496 ( 5.462 14.276 2.317) 15.460 2.842 ( 20.015 -25.200 5.735) 32.688 3.165 ( -4.726 12.035 -6.336) 14.399 3.309 ( -4.341 4.118 -0.798) 6.037 3.561 ( -0.426 4.791 -3.353) 5.864 3.691 ( -2.942 4.007 1.746) 5.269 3.948 ( 10.448 -3.073 -1.579) 11.005 4.104 ( 12.768 1.287 8.593) 15.444 4.240 ( 8.630 -2.369 -1.485) 9.072 4.663 ( 5.366 -3.222 -0.675) 6.295 4.706 ( 5.110 -16.182 -0.019) 16.969 4.898 ( -1.236 -4.898 1.382) 5.238 5.027 ( -4.051 -1.022 1.743) 4.527 5.080 ( -2.978 1.107 10.243) 10.725 5.462 ( 1.517 -2.051 2.347) 3.466 5.717 ( 7.098 3.420 -4.389) 9.019 5.891 ( -0.079 -0.767 -0.080) 0.776 6.012 ( -1.125 5.048 -0.596) 5.206 6.197 ( -2.998 3.249 5.599) 7.134 6.459 ( 4.633 -0.213 5.967) 7.557 6.663 ( -1.877 -1.897 7.313) 7.785 7.991 ( 4.350 2.859 -3.765) 6.424 8.171 ( -1.770 4.544 4.440) 6.595 8.285 ( 0.471 -0.046 1.339) 1.420 9.043 ( -4.528 2.876 -2.629) 5.974 9.137 ( -2.623 -1.736 -6.967) 7.644 9.190 ( 1.543 3.967 -1.597) 4.546 9.375 ( 1.722 4.309 5.888) 7.497 9.505 ( -8.863 -2.842 3.715) 10.021 10.012 ( -10.574 -1.687 -1.581) 10.824 11.271 ( -16.798 -18.574 -12.457) 27.970 12.529 ( -2.519 0.622 -0.641) 2.673 12.877 ( -3.885 3.778 -2.384) 5.920 13.500 ( -1.285 -1.051 0.245) 1.678 13.608 ( -0.173 -0.225 1.964) 1.985 13.891 ( -1.003 1.048 -0.848) 1.680 14.248 ( 0.724 1.268 -0.061) 1.462 14.530 ( 0.852 0.870 1.595) 2.007 14.605 ( -2.704 -2.948 -2.112) 4.523 14.981 ( 21.199 2.410 -13.655) 25.331 15.886 ( -8.741 -2.726 -4.988) 10.427 16.478 ( 1.764 -0.683 -1.809) 2.617 16.875 ( 7.669 3.735 -8.209) 11.838 17.860 ( -0.187 -0.302 8.623) 8.630 18.283 ( 0.951 0.812 14.674) 14.727 18.412 ( -0.185 2.490 10.364) 10.660 18.729 ( -11.867 16.815 44.498) 49.027 19.115 ( 0.039 -0.479 -0.444) 0.654 19.679 ( 0.124 -0.372 -2.003) 2.041 20.426 ( 0.717 -2.498 3.370) 4.256 20.545 ( 2.949 -0.682 -0.009) 3.026 20.832 ( 1.415 -3.753 -0.661) 4.065 21.299 ( -1.721 7.514 -1.725) 7.899 21.639 ( 0.963 -1.567 -1.904) 2.647 21.921 ( -1.824 0.862 -3.476) 4.018 25.463 ( -3.722 2.012 -0.008) 4.231 25.597 ( -1.387 -0.258 -1.518) 2.072 30.063 ( 4.424 -1.402 0.440) 4.662 30.240 ( 4.048 -2.426 -0.662) 4.766 37.960 ( 2.837 -1.757 2.247) 4.023 38.694 ( 2.405 -0.156 2.093) 3.192 38.921 ( 11.477 4.374 -2.397) 12.514 39.778 ( -10.628 5.107 -0.915) 11.827 40.070 ( -1.803 -1.933 0.140) 2.647 40.745 ( -9.502 1.033 -10.465) 14.173 41.170 ( 6.877 -2.801 -3.483) 8.202 42.137 ( 9.275 -17.269 -31.577) 37.166 ======================= Grid point 54 (20/80) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 3.661 -2.923 30.733) 31.088 1.880 ( -2.901 -3.579 12.161) 13.005 2.096 ( 7.123 -21.131 -1.589) 22.356 2.336 ( 1.848 3.116 6.949) 7.836 2.364 ( 8.500 0.746 6.848) 10.941 2.482 ( 1.004 2.710 6.016) 6.674 2.857 ( -11.371 11.340 0.313) 16.062 2.941 ( -0.600 6.923 -6.738) 9.679 3.499 ( 1.235 2.060 -0.954) 2.584 3.563 ( -3.265 2.721 0.303) 4.261 3.878 ( 15.646 -29.529 2.025) 33.479 4.077 ( 3.745 -1.607 6.076) 7.316 4.212 ( 6.734 -1.405 1.091) 6.965 4.352 ( 3.123 -0.971 -1.542) 3.616 4.654 ( -3.350 11.788 -4.383) 13.015 4.852 ( -2.020 0.955 7.006) 7.354 4.970 ( -2.036 -0.322 3.067) 3.696 5.022 ( -1.135 0.503 5.600) 5.736 5.108 ( 6.539 -13.362 0.925) 14.905 5.473 ( -2.312 4.385 -0.143) 4.959 5.681 ( 0.637 3.165 -3.396) 4.686 5.879 ( 1.274 -0.132 -1.705) 2.132 6.004 ( 0.816 -0.944 6.275) 6.398 6.125 ( -0.997 2.016 4.549) 5.075 6.524 ( 2.471 -1.157 4.059) 4.890 6.662 ( -1.619 -0.717 6.633) 6.865 7.986 ( 1.903 1.873 -2.664) 3.772 8.112 ( -0.614 0.953 0.193) 1.150 8.315 ( 1.367 -1.013 0.410) 1.750 8.970 ( -2.699 0.277 -2.202) 3.495 9.136 ( 1.908 1.110 -5.253) 5.698 9.150 ( -1.152 0.630 -3.649) 3.878 9.315 ( 0.897 4.065 4.120) 5.857 9.441 ( -5.550 -1.594 7.250) 9.268 9.916 ( -5.978 -0.430 -0.765) 6.042 11.334 ( -4.050 -4.534 -7.190) 9.415 12.496 ( -1.060 0.460 -0.266) 1.186 12.792 ( -2.277 1.080 -2.049) 3.248 13.503 ( -0.489 -0.543 -0.005) 0.731 13.606 ( -0.172 0.043 1.154) 1.168 13.872 ( 0.196 0.557 0.283) 0.655 14.250 ( 0.787 0.140 0.410) 0.898 14.520 ( 0.120 0.648 1.342) 1.495 14.610 ( -1.750 -1.155 -2.033) 2.921 15.115 ( 7.515 1.735 -7.967) 11.088 15.836 ( -4.219 -1.233 -4.876) 6.565 16.516 ( 1.237 -0.809 -3.018) 3.360 16.882 ( 2.531 2.128 -6.525) 7.315 17.861 ( -0.121 -0.129 8.798) 8.800 18.285 ( 0.726 0.201 15.329) 15.348 18.373 ( -0.119 1.398 14.053) 14.123 18.491 ( -3.158 3.396 23.962) 24.407 19.122 ( 0.017 -0.223 -0.443) 0.497 19.685 ( 0.058 -0.162 -1.801) 1.809 20.468 ( 0.577 -1.023 3.245) 3.451 20.591 ( 1.819 -0.611 0.386) 1.958 20.910 ( 0.915 -3.064 -0.713) 3.276 21.155 ( -2.484 4.643 -2.578) 5.863 21.668 ( 0.420 -0.643 -1.851) 2.004 21.895 ( -0.595 0.374 -3.222) 3.298 25.401 ( -1.473 1.028 0.303) 1.821 25.587 ( -0.713 -0.141 -1.546) 1.708 30.124 ( 1.845 -0.761 0.474) 2.052 30.308 ( 1.712 -1.004 -0.669) 2.095 38.009 ( 1.220 -0.697 2.360) 2.747 38.738 ( 1.447 -1.201 3.059) 3.590 38.963 ( 3.574 1.418 -2.766) 4.737 39.600 ( -4.932 2.851 -0.492) 5.718 40.082 ( -0.847 -1.054 -0.108) 1.357 40.637 ( -3.533 1.172 -6.546) 7.530 41.268 ( 2.871 -1.112 -3.427) 4.607 42.375 ( 2.592 -4.268 -21.083) 21.666 ======================= Grid point 59 (21/80) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 33.366 -0.000 6.007) 33.903 1.081 ( 12.756 -0.000 36.163) 38.347 1.615 ( 51.106 -0.000 9.839) 52.044 1.909 ( -15.563 0.000 21.506) 26.547 2.241 ( 0.558 -0.000 24.540) 24.546 2.441 ( 0.664 -0.000 6.460) 6.494 2.880 ( 2.597 -0.000 -0.705) 2.691 3.551 ( -2.531 0.000 -11.965) 12.230 3.568 ( -0.902 0.000 -5.280) 5.356 3.603 ( 1.925 -0.000 -7.801) 8.034 3.835 ( 20.687 -0.000 -3.017) 20.906 3.973 ( 6.126 -0.000 5.089) 7.964 4.093 ( 7.234 -0.000 0.166) 7.236 4.196 ( 11.452 -0.000 5.715) 12.799 4.385 ( 15.143 -0.000 2.919) 15.422 4.560 ( 2.628 -0.000 -4.487) 5.200 4.701 ( 0.494 -0.000 0.611) 0.785 4.958 ( -1.400 0.000 -0.942) 1.688 5.134 ( -9.074 0.000 17.634) 19.832 5.427 ( -2.415 0.000 1.448) 2.816 5.836 ( 3.521 -0.000 -0.695) 3.589 5.849 ( 8.730 -0.000 -11.358) 14.326 6.133 ( -4.736 0.000 -2.837) 5.521 6.278 ( -1.829 0.000 7.375) 7.598 6.489 ( -2.479 0.000 0.514) 2.532 6.740 ( -3.264 0.000 17.099) 17.408 8.047 ( 4.649 -0.000 -5.289) 7.042 8.263 ( -5.904 0.000 2.360) 6.358 8.456 ( -15.553 0.000 18.914) 24.487 9.081 ( -2.551 0.000 -5.883) 6.413 9.166 ( -10.039 0.000 -1.392) 10.136 9.167 ( 1.371 -0.000 1.070) 1.739 9.303 ( -2.865 0.000 3.753) 4.721 9.593 ( 1.603 -0.000 0.658) 1.733 9.646 ( -8.291 0.000 -1.762) 8.477 10.515 ( 17.897 -0.000 -2.474) 18.067 12.515 ( -7.200 0.000 0.899) 7.256 12.986 ( -5.051 0.000 -5.647) 7.576 13.503 ( 2.380 -0.000 -0.544) 2.441 13.601 ( 0.099 -0.000 1.891) 1.894 13.924 ( 1.934 -0.000 -0.073) 1.935 14.351 ( 0.088 -0.000 -0.785) 0.790 14.398 ( -4.647 0.000 -2.491) 5.272 14.583 ( -1.954 0.000 5.800) 6.120 15.036 ( 27.692 -0.000 -30.434) 41.147 15.848 ( -4.728 0.000 -4.899) 6.808 16.447 ( -2.486 0.000 0.045) 2.486 16.960 ( 8.848 -0.000 -14.082) 16.631 17.852 ( -0.092 0.000 8.793) 8.794 18.305 ( 0.847 -0.000 14.567) 14.591 18.462 ( -0.448 0.000 8.336) 8.348 19.101 ( 0.033 -0.000 -0.956) 0.957 19.406 ( -56.027 0.000 66.534) 86.982 19.670 ( 0.167 -0.000 -2.397) 2.403 20.356 ( 2.705 -0.000 3.360) 4.313 20.511 ( 1.287 -0.000 -0.099) 1.291 20.766 ( 2.949 -0.000 -0.515) 2.993 21.515 ( -3.755 0.000 -2.812) 4.691 21.718 ( -6.325 0.000 -2.672) 6.866 21.812 ( -1.680 0.000 -1.688) 2.381 25.473 ( -3.406 0.000 0.302) 3.419 25.624 ( 0.389 -0.000 -0.741) 0.837 30.068 ( 6.569 -0.000 -0.732) 6.610 30.196 ( 6.715 -0.000 -0.590) 6.741 37.923 ( 4.346 -0.000 2.326) 4.930 38.746 ( 1.708 -0.000 1.573) 2.322 39.461 ( -7.266 0.000 -1.168) 7.359 39.729 ( -2.589 0.000 -14.506) 14.735 39.994 ( -5.364 0.000 0.452) 5.383 40.673 ( 41.150 -0.000 -55.721) 69.269 41.129 ( 13.651 -0.000 -4.961) 14.524 41.297 ( 10.791 -0.000 -4.409) 11.657 ======================= Grid point 60 (22/80) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 12.901 -4.726 33.359) 36.078 1.484 ( 28.801 -9.214 1.801) 30.293 1.710 ( -11.731 -4.198 16.753) 20.879 2.246 ( 0.778 -0.827 23.098) 23.126 2.388 ( 17.575 -4.262 -0.236) 18.086 2.604 ( 23.338 -14.934 7.363) 28.669 2.850 ( 7.189 2.772 -0.785) 7.744 3.353 ( -3.737 11.843 -6.371) 13.958 3.495 ( 1.946 13.040 -6.092) 14.523 3.606 ( -1.244 -0.023 -4.917) 5.072 3.920 ( 11.483 14.467 2.894) 18.695 4.042 ( 8.817 -0.296 -2.622) 9.203 4.215 ( 7.725 -1.211 5.912) 9.803 4.392 ( 11.508 2.664 7.707) 14.105 4.565 ( 13.944 -8.936 -1.984) 16.680 4.697 ( 7.051 -4.114 -1.565) 8.312 4.780 ( 1.347 -5.940 -1.682) 6.319 4.970 ( -1.108 -1.911 4.594) 5.097 5.042 ( -4.248 -1.152 14.421) 15.078 5.431 ( 0.152 -2.966 -1.117) 3.174 5.848 ( 3.684 3.673 -4.786) 7.069 5.903 ( 0.828 1.475 -2.263) 2.825 6.064 ( -1.490 2.845 -4.223) 5.305 6.210 ( -2.907 3.112 7.370) 8.512 6.470 ( -1.482 -1.294 1.881) 2.722 6.677 ( 1.536 3.005 13.903) 14.307 8.082 ( 1.437 0.079 -5.287) 5.479 8.192 ( -5.691 0.327 2.683) 6.300 8.256 ( -3.782 4.453 6.033) 8.398 8.976 ( -11.225 1.579 -2.706) 11.654 9.067 ( -3.815 -2.563 -3.662) 5.877 9.252 ( -0.499 -0.045 1.204) 1.305 9.330 ( -2.298 -5.660 4.543) 7.613 9.506 ( 1.158 5.599 1.560) 5.927 9.749 ( -7.006 -9.623 -1.442) 11.990 10.871 ( 8.596 -16.421 -4.782) 19.141 12.436 ( -8.013 -2.409 0.584) 8.388 12.863 ( -8.787 2.910 -3.603) 9.933 13.537 ( 5.121 1.507 -0.795) 5.397 13.605 ( 0.212 -0.148 1.441) 1.464 13.932 ( 2.245 2.052 0.108) 3.044 14.276 ( -1.703 2.326 -0.880) 3.014 14.459 ( -2.263 -6.601 -1.470) 7.131 14.556 ( -1.285 0.760 4.472) 4.715 15.189 ( 1.399 2.051 -17.002) 17.182 15.852 ( 7.036 1.181 -7.597) 10.422 16.434 ( -3.074 -2.641 -0.827) 4.137 17.009 ( 3.266 3.113 -14.045) 14.752 17.851 ( -0.384 -0.221 9.434) 9.445 18.309 ( 1.048 0.739 14.579) 14.636 18.442 ( -0.756 1.474 10.649) 10.777 18.786 ( -20.731 11.593 45.925) 51.704 19.106 ( -0.034 -0.490 -0.563) 0.747 19.675 ( 0.174 -0.305 -2.100) 2.129 20.410 ( 2.708 -1.756 3.146) 4.507 20.545 ( 1.237 -1.770 0.449) 2.205 20.819 ( 3.377 -1.321 -0.677) 3.689 21.397 ( -4.455 7.412 -2.743) 9.073 21.616 ( -3.302 -1.088 -1.669) 3.856 21.834 ( -5.780 -3.985 -2.606) 7.489 25.428 ( -3.997 0.153 0.341) 4.014 25.615 ( 1.309 1.701 -1.001) 2.369 30.136 ( 6.478 1.232 0.245) 6.598 30.289 ( 7.168 -0.226 -0.599) 7.196 37.990 ( 5.129 -0.482 2.516) 5.733 38.754 ( 3.142 1.881 1.905) 4.128 39.203 ( 2.315 12.680 -2.796) 13.189 39.659 ( -13.861 -1.158 -2.451) 14.124 39.953 ( -6.092 -3.346 -0.190) 6.953 40.831 ( 8.988 10.528 -19.228) 23.693 41.277 ( 11.971 1.224 -3.771) 12.610 41.818 ( 6.789 -27.690 -23.809) 37.144 ======================= Grid point 61 (23/80) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 4.800 -1.724 29.894) 30.326 1.739 ( 0.038 -10.199 12.113) 15.835 1.967 ( 14.703 -9.610 -0.851) 17.585 2.282 ( -0.486 -3.873 20.275) 20.647 2.449 ( -2.296 2.532 2.495) 4.231 2.659 ( 11.581 7.819 0.347) 13.978 3.077 ( -1.007 12.817 -5.898) 14.144 3.139 ( 1.607 17.337 -2.812) 17.637 3.553 ( -0.977 -0.394 -2.199) 2.438 3.632 ( 23.498 -18.409 1.326) 29.880 3.797 ( 13.058 12.586 0.945) 18.161 4.115 ( 2.124 -0.836 -0.510) 2.339 4.246 ( -0.144 2.573 11.711) 11.991 4.452 ( 9.905 4.101 -1.441) 10.817 4.787 ( -2.715 1.254 -4.181) 5.140 4.807 ( 2.987 -1.357 4.069) 5.227 4.938 ( -0.519 -0.181 5.392) 5.420 4.990 ( 8.840 -9.847 1.855) 13.362 5.070 ( 4.815 0.386 6.437) 8.048 5.477 ( -1.405 -0.886 -1.613) 2.315 5.772 ( -1.669 8.520 -5.599) 10.330 5.842 ( -4.708 -0.870 -1.668) 5.070 6.020 ( 1.389 1.447 5.039) 5.424 6.144 ( -1.597 1.894 4.941) 5.528 6.493 ( -1.494 -2.722 2.956) 4.287 6.674 ( 2.857 0.748 9.070) 9.539 8.047 ( -1.686 4.724 -1.727) 5.305 8.145 ( -4.419 -4.382 -0.778) 6.272 8.201 ( -2.273 0.174 0.053) 2.280 8.858 ( -8.732 -2.908 -2.178) 9.458 9.086 ( -1.933 -3.688 -1.877) 4.567 9.219 ( -0.767 1.769 -1.840) 2.665 9.310 ( -6.422 3.024 1.435) 7.242 9.470 ( 5.367 0.846 7.400) 9.180 9.839 ( 3.692 -4.391 -1.619) 5.961 11.190 ( 4.148 -11.502 -5.771) 13.520 12.414 ( -5.711 -4.568 0.366) 7.322 12.734 ( -6.814 -0.384 -2.236) 7.182 13.576 ( 7.399 2.829 -0.654) 7.948 13.609 ( 0.497 0.241 1.106) 1.236 13.914 ( 1.714 2.673 0.249) 3.186 14.237 ( -2.754 -0.434 0.010) 2.788 14.521 ( -2.058 -1.107 -0.007) 2.337 14.550 ( 1.113 -2.716 0.938) 3.081 15.082 ( -12.964 0.077 -7.422) 14.939 15.941 ( 13.838 4.172 -7.397) 16.236 16.453 ( -3.683 -3.800 -2.256) 5.753 16.942 ( -2.828 4.399 -9.567) 10.903 17.852 ( -0.465 -0.482 9.616) 9.640 18.306 ( 0.740 0.999 14.495) 14.548 18.392 ( -2.022 2.196 16.129) 16.403 18.512 ( -4.243 4.096 24.323) 25.028 19.116 ( 0.021 -0.518 -0.510) 0.727 19.682 ( 0.100 -0.293 -1.839) 1.865 20.466 ( 1.865 -1.036 2.931) 3.625 20.584 ( -0.061 -1.280 0.782) 1.501 20.889 ( 3.322 -2.306 -0.897) 4.142 21.221 ( -3.256 6.563 -2.496) 7.740 21.624 ( -2.646 -3.131 -2.050) 4.583 21.827 ( -5.198 -3.380 -2.979) 6.878 25.383 ( -2.444 -0.063 0.464) 2.489 25.611 ( 2.464 1.377 -1.362) 3.134 30.176 ( 4.224 2.083 0.487) 4.735 30.355 ( 4.775 1.459 -0.634) 5.033 38.043 ( 3.590 1.014 2.571) 4.530 38.770 ( 3.468 1.456 2.646) 4.599 39.073 ( 0.643 6.254 -2.369) 6.718 39.524 ( -9.091 -1.594 -0.630) 9.251 39.960 ( -5.465 -5.513 -0.804) 7.804 40.768 ( 9.087 8.071 -9.494) 15.422 41.358 ( 7.410 3.534 -3.572) 8.953 42.188 ( -4.022 -14.865 -18.540) 24.101 ======================= Grid point 62 (24/80) ======================= q-point: (-0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.605 2.355 28.173) 28.317 1.933 ( 6.748 -4.211 12.694) 14.980 2.087 ( -8.249 -3.112 2.367) 9.129 2.329 ( -3.821 5.863 3.187) 7.690 2.371 ( 0.377 -6.811 12.187) 13.966 2.587 ( -0.331 22.745 1.945) 22.831 2.948 ( 4.749 3.499 -4.903) 7.671 2.978 ( 18.110 2.348 1.896) 18.360 3.520 ( -0.695 -0.342 -1.716) 1.883 3.701 ( 12.938 9.592 -1.105) 16.144 4.055 ( -4.464 0.536 -1.870) 4.870 4.099 ( -1.584 4.779 7.415) 8.963 4.263 ( -3.098 6.924 0.030) 7.586 4.372 ( -3.496 12.153 -5.034) 13.611 4.607 ( 6.772 2.698 -1.653) 7.475 4.838 ( 1.798 -1.936 9.615) 9.972 4.952 ( 0.549 -2.565 5.542) 6.131 5.071 ( 3.767 -0.370 2.060) 4.309 5.226 ( -0.214 3.833 0.595) 3.885 5.439 ( 1.980 -1.268 -0.674) 2.446 5.635 ( -4.096 1.982 -0.945) 4.647 5.803 ( -6.881 -2.853 -1.558) 7.611 6.023 ( 0.609 1.273 6.304) 6.460 6.105 ( -0.678 -0.237 4.660) 4.715 6.495 ( -3.016 -0.224 3.979) 4.998 6.710 ( 3.567 0.274 6.164) 7.126 7.954 ( -2.954 2.098 -2.436) 4.366 8.157 ( 2.507 2.655 -0.930) 3.769 8.178 ( -9.656 -6.728 1.176) 11.827 8.876 ( -3.770 -7.643 -3.190) 9.100 9.107 ( -0.930 1.458 -1.027) 2.011 9.200 ( -1.686 -0.897 -0.129) 1.915 9.212 ( -0.871 -1.352 -2.254) 2.769 9.563 ( 8.726 -0.616 7.720) 11.668 9.983 ( 9.121 -2.237 -1.753) 9.553 11.394 ( 6.521 -6.325 -7.794) 11.970 12.437 ( -2.984 -4.009 0.355) 5.010 12.732 ( -2.161 -5.406 -1.856) 6.110 13.607 ( 3.021 2.297 0.486) 3.826 13.616 ( 5.914 2.545 0.628) 6.469 13.897 ( 2.729 1.699 -0.567) 3.264 14.216 ( -2.749 -1.135 0.679) 3.051 14.500 ( -2.743 -0.245 -0.921) 2.904 14.613 ( 0.737 -2.295 -0.935) 2.586 14.908 ( -16.959 -1.564 -3.251) 17.338 16.035 ( 14.855 5.317 -6.314) 16.995 16.454 ( -5.136 -2.209 -2.648) 6.187 16.822 ( -6.962 1.765 -5.944) 9.323 17.857 ( -0.216 -0.563 9.121) 9.141 18.286 ( -0.562 1.270 15.608) 15.670 18.352 ( -0.951 -0.274 12.722) 12.761 18.479 ( 1.366 -1.104 22.329) 22.398 19.122 ( 0.007 -0.190 -0.464) 0.502 19.686 ( -0.007 -0.051 -1.781) 1.782 20.482 ( 0.288 0.597 2.413) 2.502 20.572 ( -2.484 0.773 0.796) 2.720 20.961 ( 3.002 0.788 -0.703) 3.183 21.129 ( -0.244 -0.172 -2.042) 2.063 21.645 ( -1.200 -1.916 -2.259) 3.196 21.830 ( -4.276 -3.833 -3.401) 6.674 25.383 ( -0.087 -1.854 0.417) 1.902 25.626 ( 3.134 1.092 -1.779) 3.766 30.158 ( 0.858 3.610 0.509) 3.745 30.349 ( 1.414 3.605 -0.681) 3.932 38.038 ( 1.058 2.692 2.506) 3.827 38.762 ( 0.394 2.401 3.160) 3.988 38.970 ( -2.174 5.265 -2.271) 6.132 39.545 ( 0.305 -7.337 0.153) 7.345 39.998 ( -4.376 -5.509 -1.352) 7.164 40.797 ( 13.488 4.438 -7.598) 16.104 41.328 ( 1.565 6.259 -3.691) 7.433 42.276 ( -9.239 -5.750 -17.122) 20.287 ======================= Grid point 63 (25/80) ======================= q-point: (-0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -2.406 7.518 32.110) 33.066 1.948 ( -3.808 23.947 4.258) 24.619 1.993 ( 3.431 6.078 8.098) 10.691 2.122 ( -4.973 -5.817 2.632) 8.093 2.301 ( -1.762 0.883 18.144) 18.251 2.479 ( -0.440 0.912 2.486) 2.684 2.976 ( 1.472 -3.279 -5.527) 6.593 3.190 ( 9.926 10.605 1.518) 14.605 3.553 ( 2.308 1.348 -4.720) 5.424 3.563 ( -2.145 26.456 1.498) 26.585 3.765 ( 9.662 2.017 2.589) 10.204 3.859 ( -15.524 5.037 -3.645) 16.723 3.990 ( -4.760 2.806 7.754) 9.521 4.250 ( -5.362 8.925 -6.360) 12.201 4.642 ( -1.320 1.222 0.207) 1.811 4.917 ( -0.593 6.810 3.408) 7.638 4.961 ( -0.426 3.259 3.418) 4.741 5.054 ( 3.681 -0.450 5.616) 6.730 5.151 ( 3.923 2.540 1.600) 4.940 5.467 ( -1.072 0.709 3.510) 3.738 5.586 ( -5.831 -1.700 -1.729) 6.315 5.850 ( 0.094 -8.730 -3.048) 9.248 5.973 ( -1.383 3.174 4.756) 5.883 6.154 ( 1.060 -4.500 5.195) 6.954 6.432 ( -3.145 2.640 5.362) 6.754 6.731 ( 2.241 1.804 5.448) 6.161 7.912 ( -2.367 -1.041 -3.091) 4.029 8.149 ( 1.161 0.093 1.901) 2.230 8.195 ( -4.632 -5.652 1.713) 7.505 8.994 ( 0.087 -7.801 -4.923) 9.224 9.085 ( -0.681 -1.642 -0.806) 1.952 9.216 ( 2.164 0.948 -6.246) 6.678 9.262 ( -1.794 -5.367 4.718) 7.367 9.665 ( 7.591 1.623 5.932) 9.770 10.091 ( 3.987 -0.198 -1.959) 4.447 11.610 ( 13.674 -4.508 -14.917) 20.732 12.473 ( -2.328 -3.853 0.331) 4.514 12.830 ( 0.805 -5.760 -1.783) 6.083 13.600 ( 3.445 3.111 0.579) 4.678 13.622 ( 1.764 2.156 2.039) 3.452 13.957 ( 11.488 0.856 -3.250) 11.970 14.214 ( -1.160 -1.457 0.786) 2.021 14.429 ( -14.853 -1.607 -6.865) 16.442 14.613 ( -4.100 0.336 1.753) 4.472 14.767 ( -6.235 -0.338 -0.853) 6.303 16.102 ( 11.425 6.760 -6.699) 14.869 16.417 ( -5.020 -2.006 -1.171) 5.531 16.732 ( -7.160 -1.697 -4.141) 8.444 17.863 ( 0.018 -0.183 8.509) 8.511 18.266 ( -0.564 0.113 14.833) 14.844 18.369 ( -0.162 -2.216 10.728) 10.956 18.583 ( 2.831 -8.974 33.787) 35.073 19.122 ( -0.024 0.273 -0.548) 0.612 19.684 ( -0.052 0.246 -1.932) 1.948 20.465 ( 0.480 1.408 1.735) 2.285 20.515 ( -3.000 1.423 0.915) 3.444 20.909 ( 0.360 5.628 -0.721) 5.686 21.207 ( 0.793 -5.328 -1.095) 5.497 21.656 ( 0.512 0.412 -2.194) 2.290 21.860 ( -2.474 -4.712 -3.981) 6.646 25.440 ( 1.197 -3.674 0.148) 3.867 25.641 ( 2.356 1.207 -2.253) 3.476 30.083 ( -1.114 4.462 0.523) 4.629 30.276 ( -0.751 4.885 -0.710) 4.993 37.985 ( -0.638 3.494 2.365) 4.267 38.719 ( 0.404 2.406 2.877) 3.772 38.832 ( -5.218 5.551 -1.791) 7.826 39.745 ( 5.315 -10.322 0.621) 11.627 40.030 ( -3.394 -3.524 -1.762) 5.200 40.932 ( 15.540 1.437 -7.844) 17.467 41.195 ( -3.755 7.012 -4.331) 9.056 42.177 ( -10.005 3.566 -23.679) 25.953 ======================= Grid point 64 (26/80) ======================= q-point: (-0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.000 12.224 34.619) 36.714 1.376 ( 0.000 35.190 6.825) 35.845 1.970 ( -0.000 -0.871 12.537) 12.567 2.157 ( 0.000 42.566 -1.331) 42.587 2.236 ( -0.000 -1.702 17.095) 17.180 2.401 ( -0.000 -17.254 6.584) 18.467 2.613 ( 0.000 15.542 12.266) 19.799 3.230 ( -0.000 -11.160 -5.968) 12.656 3.531 ( -0.000 -1.965 -0.286) 1.986 3.583 ( 0.000 3.400 -7.077) 7.851 3.678 ( -0.000 -4.360 -3.283) 5.458 3.864 ( -0.000 -0.629 2.457) 2.536 3.916 ( 0.000 3.156 3.290) 4.559 4.009 ( 0.000 6.645 -1.824) 6.891 4.597 ( 0.000 2.365 0.096) 2.367 4.632 ( 0.000 19.085 1.338) 19.132 4.905 ( 0.000 6.016 1.837) 6.291 5.084 ( 0.000 2.341 -1.472) 2.766 5.161 ( -0.000 -2.266 14.540) 14.715 5.501 ( -0.000 -3.470 3.792) 5.140 5.505 ( 0.000 3.441 -2.197) 4.083 5.884 ( 0.000 4.691 2.515) 5.322 6.039 ( -0.000 -9.741 -4.633) 10.787 6.270 ( -0.000 -7.616 5.920) 9.646 6.350 ( 0.000 3.522 7.582) 8.360 6.698 ( 0.000 3.353 5.817) 6.715 7.928 ( -0.000 -2.228 -3.473) 4.127 8.196 ( -0.000 -5.120 6.032) 7.912 8.256 ( -0.000 -4.056 1.998) 4.522 9.122 ( -0.000 -2.998 -0.700) 3.079 9.126 ( -0.000 -5.893 -5.740) 8.227 9.207 ( 0.000 1.127 -6.341) 6.441 9.344 ( -0.000 -5.318 5.554) 7.690 9.655 ( 0.000 5.400 4.200) 6.842 10.107 ( -0.000 -0.115 -1.796) 1.800 11.754 ( 0.000 6.857 -34.236) 34.916 12.519 ( -0.000 -3.875 1.127) 4.035 12.914 ( -0.000 -2.904 -1.669) 3.350 13.570 ( 0.000 3.386 0.793) 3.477 13.608 ( 0.000 0.368 2.573) 2.599 14.115 ( 0.000 4.749 -12.929) 13.774 14.192 ( -0.000 -0.777 -2.377) 2.500 14.240 ( -0.000 -2.423 0.144) 2.427 14.566 ( 0.000 1.846 2.991) 3.515 14.727 ( 0.000 2.667 -0.945) 2.829 16.054 ( 0.000 6.192 -6.301) 8.834 16.431 ( -0.000 -2.631 -0.181) 2.637 16.721 ( -0.000 -2.551 -3.040) 3.969 17.862 ( 0.000 0.307 8.166) 8.172 18.270 ( -0.000 -0.875 14.559) 14.586 18.414 ( -0.000 -2.723 8.917) 9.324 18.924 ( -0.000 -31.551 58.774) 66.707 19.114 ( 0.000 0.561 -0.749) 0.936 19.678 ( 0.000 0.393 -2.114) 2.150 20.443 ( 0.000 2.529 3.726) 4.503 20.478 ( -0.000 -0.592 -0.745) 0.952 20.816 ( 0.000 4.886 -0.636) 4.927 21.284 ( -0.000 -3.580 -0.922) 3.697 21.636 ( 0.000 2.230 -2.109) 3.069 21.928 ( -0.000 -4.223 -4.235) 5.981 25.518 ( -0.000 -3.827 -0.305) 3.839 25.635 ( 0.000 1.374 -2.698) 3.028 30.000 ( 0.000 3.750 0.512) 3.785 30.186 ( 0.000 4.342 -0.688) 4.396 37.921 ( 0.000 2.957 2.212) 3.693 38.657 ( 0.000 7.284 -1.964) 7.544 38.721 ( -0.000 -0.346 3.059) 3.078 39.966 ( -0.000 -9.209 1.339) 9.306 40.037 ( -0.000 -0.569 -2.310) 2.379 40.998 ( 0.000 7.479 -7.637) 10.690 41.097 ( -0.000 -2.286 -6.014) 6.434 41.891 ( 0.000 23.820 -43.272) 49.395 ======================= Grid point 67 (27/80) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 12.188 -0.000 31.213) 33.508 1.506 ( -8.951 0.000 16.107) 18.427 1.748 ( 24.924 -0.000 0.074) 24.924 2.238 ( -1.518 0.000 24.402) 24.449 2.474 ( 1.353 -0.000 5.791) 5.947 2.930 ( 2.634 -0.000 0.337) 2.656 2.946 ( 46.142 -0.000 -2.879) 46.231 3.381 ( -9.150 0.000 -5.514) 10.683 3.532 ( -1.726 0.000 -3.621) 4.011 3.723 ( 7.482 -0.000 -4.768) 8.872 4.021 ( -7.300 0.000 -4.446) 8.548 4.201 ( 11.561 -0.000 3.504) 12.080 4.471 ( 7.810 -0.000 12.295) 14.566 4.474 ( 18.408 -0.000 0.555) 18.416 4.694 ( 2.351 -0.000 -0.840) 2.497 4.729 ( 11.874 -0.000 0.067) 11.875 4.796 ( 10.051 -0.000 -1.998) 10.248 4.967 ( 7.815 -0.000 5.474) 9.541 4.979 ( -2.150 0.000 14.344) 14.504 5.380 ( -1.534 0.000 -3.737) 4.040 5.892 ( -6.340 0.000 -4.024) 7.509 5.934 ( 4.156 -0.000 -0.515) 4.188 6.087 ( 2.016 -0.000 -6.539) 6.843 6.216 ( -2.572 0.000 6.806) 7.276 6.428 ( -2.202 0.000 1.212) 2.514 6.723 ( 1.121 -0.000 14.395) 14.439 7.940 ( -14.013 0.000 -0.730) 14.032 8.235 ( -6.087 0.000 4.691) 7.685 8.242 ( 5.537 -0.000 -4.135) 6.910 8.856 ( -11.790 0.000 5.257) 12.909 8.957 ( -6.202 0.000 -6.463) 8.958 9.185 ( -1.121 0.000 1.676) 2.017 9.298 ( 0.342 -0.000 2.846) 2.867 9.565 ( -2.923 0.000 2.031) 3.559 9.720 ( 12.631 -0.000 -1.626) 12.735 10.870 ( 10.520 -0.000 -3.410) 11.059 12.301 ( -9.129 0.000 0.759) 9.161 12.761 ( -11.074 0.000 -3.374) 11.576 13.607 ( 0.416 -0.000 1.062) 1.140 13.644 ( 9.404 -0.000 -1.232) 9.484 13.987 ( 2.698 -0.000 0.399) 2.727 14.239 ( -7.117 0.000 -0.171) 7.119 14.401 ( 3.060 -0.000 -1.938) 3.622 14.551 ( -0.665 0.000 4.969) 5.013 15.096 ( -15.550 0.000 -10.357) 18.683 16.041 ( 17.880 -0.000 -11.568) 21.296 16.354 ( -4.851 0.000 0.254) 4.857 17.041 ( -2.722 0.000 -15.356) 15.596 17.843 ( -0.661 0.000 10.409) 10.430 18.329 ( 0.975 -0.000 14.549) 14.582 18.441 ( -1.571 0.000 13.121) 13.214 18.652 ( -14.042 0.000 36.497) 39.105 19.102 ( 0.055 -0.000 -0.877) 0.879 19.675 ( 0.215 -0.000 -2.057) 2.069 20.428 ( 2.500 -0.000 2.260) 3.370 20.542 ( 1.144 -0.000 1.460) 1.855 20.857 ( 4.078 -0.000 -0.758) 4.148 21.444 ( -1.172 0.000 -3.674) 3.856 21.479 ( -11.538 0.000 -1.354) 11.618 21.734 ( -4.609 0.000 -2.251) 5.129 25.383 ( -3.403 0.000 0.615) 3.458 25.654 ( 1.993 -0.000 -1.278) 2.367 30.229 ( 6.145 -0.000 0.358) 6.156 30.383 ( 7.565 -0.000 -0.560) 7.585 38.060 ( 6.289 -0.000 2.879) 6.916 38.815 ( 4.114 -0.000 1.382) 4.340 39.265 ( -7.620 0.000 0.213) 7.623 39.473 ( -12.661 0.000 -3.034) 13.020 39.848 ( -6.155 0.000 -0.863) 6.215 41.108 ( 5.087 -0.000 -25.727) 26.225 41.487 ( 11.830 -0.000 -9.007) 14.869 41.577 ( 10.738 -0.000 -4.164) 11.517 ======================= Grid point 68 (28/80) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -6.742 -5.345 19.512) 21.325 1.666 ( 14.224 -4.949 22.476) 27.055 2.044 ( 13.799 -3.147 -0.633) 14.168 2.211 ( -4.230 -1.314 23.068) 23.489 2.464 ( -1.943 1.850 3.783) 4.637 2.938 ( 11.719 4.981 0.995) 12.772 3.193 ( -4.670 5.957 -4.064) 8.591 3.389 ( 4.565 5.992 -6.919) 10.228 3.535 ( 1.129 -0.929 -1.432) 2.046 3.782 ( 22.922 -0.227 -1.189) 22.954 3.991 ( -5.455 -5.078 -3.911) 8.416 4.217 ( 10.159 12.815 0.531) 16.362 4.402 ( 3.491 10.233 15.361) 18.784 4.668 ( 7.231 1.087 -0.905) 7.368 4.741 ( 5.054 -3.519 1.188) 6.272 4.821 ( 1.733 -1.734 3.674) 4.417 4.949 ( 2.361 3.845 6.524) 7.932 4.955 ( 5.575 -4.959 3.047) 8.060 5.177 ( 15.735 -1.492 2.269) 15.968 5.424 ( -0.778 -3.924 -3.379) 5.236 5.759 ( -10.449 1.876 -0.986) 10.662 5.922 ( 2.044 7.355 -4.583) 8.904 6.087 ( 1.624 3.604 -1.341) 4.174 6.155 ( -1.586 1.988 6.892) 7.346 6.426 ( -1.642 -2.262 2.056) 3.470 6.726 ( 2.244 1.235 11.336) 11.621 7.845 ( -13.512 -8.397 0.085) 15.909 8.120 ( -3.571 4.776 -0.756) 6.011 8.288 ( 4.186 2.488 -4.516) 6.641 8.719 ( -8.106 0.023 2.787) 8.572 8.954 ( -4.488 -6.223 -1.456) 7.809 9.188 ( -1.979 -1.339 -0.464) 2.434 9.308 ( -0.878 0.220 1.345) 1.622 9.504 ( -1.019 1.184 5.407) 5.628 9.906 ( 13.177 -1.893 -2.098) 13.476 11.060 ( 5.221 -9.301 -4.590) 11.612 12.244 ( -6.668 -5.085 0.691) 8.414 12.635 ( -8.118 -0.186 -2.492) 8.494 13.613 ( 0.582 0.027 1.133) 1.274 13.756 ( 12.453 2.708 -1.170) 12.797 13.987 ( 1.627 2.575 0.147) 3.050 14.173 ( -4.404 -0.968 0.289) 4.518 14.456 ( -0.838 -2.716 -2.862) 4.034 14.546 ( 0.335 -0.259 4.651) 4.670 14.884 ( -17.389 -0.075 -5.469) 18.228 16.208 ( 13.636 4.419 -7.622) 16.235 16.346 ( -0.305 -3.564 -3.225) 4.816 16.945 ( -7.998 3.257 -12.201) 14.949 17.837 ( -0.655 -0.333 10.823) 10.848 18.332 ( 0.677 0.838 14.183) 14.224 18.397 ( -2.939 1.811 18.021) 18.348 18.521 ( -3.189 2.139 22.349) 22.677 19.107 ( 0.036 -0.469 -0.709) 0.851 19.679 ( 0.141 -0.215 -1.844) 1.862 20.466 ( 1.160 -1.457 1.668) 2.500 20.564 ( 0.587 -0.824 2.082) 2.315 20.908 ( 3.603 -0.625 -0.984) 3.787 21.277 ( -5.890 5.520 -1.829) 8.277 21.511 ( -1.856 -5.200 -3.026) 6.296 21.698 ( -5.662 -2.877 -2.858) 6.964 25.349 ( -2.243 -0.296 0.733) 2.379 25.669 ( 2.515 1.135 -1.542) 3.161 30.274 ( 4.336 2.401 0.519) 4.984 30.450 ( 5.252 1.762 -0.588) 5.571 38.119 ( 4.722 1.532 2.980) 5.790 38.857 ( 5.216 2.014 1.646) 5.828 39.141 ( -4.193 4.138 -0.389) 5.903 39.352 ( -10.756 -3.214 -0.762) 11.252 39.814 ( -4.877 -3.921 -1.457) 6.425 41.043 ( 6.637 9.035 -16.024) 19.557 41.532 ( 8.036 4.944 -3.915) 10.215 41.877 ( 0.042 -14.782 -9.993) 17.843 ======================= Grid point 69 (29/80) ======================= q-point: ( 0.57 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -2.104 -3.560 21.763) 22.152 1.934 ( 11.558 -6.938 16.268) 21.128 2.076 ( -1.350 6.891 3.223) 7.726 2.196 ( -7.472 -5.219 18.495) 20.619 2.384 ( -1.158 3.234 3.497) 4.902 2.973 ( 6.216 16.896 -1.238) 18.045 3.050 ( -1.334 6.551 -3.445) 7.521 3.270 ( 10.725 1.005 -0.473) 10.782 3.501 ( -0.627 0.390 0.537) 0.913 3.981 ( -3.357 2.101 -1.834) 4.365 4.025 ( 1.606 7.932 -1.187) 8.180 4.194 ( 9.123 0.816 -8.915) 12.782 4.257 ( 3.041 4.709 11.072) 12.410 4.643 ( -0.939 12.072 -2.335) 12.331 4.833 ( 6.214 5.523 6.442) 10.517 4.856 ( 8.772 0.773 2.425) 9.134 4.915 ( 0.078 -1.123 5.570) 5.682 5.068 ( 0.805 -2.926 2.223) 3.762 5.277 ( 1.558 2.739 1.120) 3.344 5.445 ( 1.364 -0.558 -1.279) 1.952 5.611 ( -11.262 -0.139 1.120) 11.318 5.750 ( -0.094 9.818 -4.036) 10.615 6.062 ( 1.869 1.471 5.508) 6.000 6.107 ( -1.560 1.973 5.160) 5.741 6.448 ( -1.383 -1.968 2.854) 3.732 6.746 ( 2.068 -0.093 7.903) 8.169 7.876 ( -8.444 -10.321 0.206) 13.337 8.006 ( -1.752 4.173 -1.169) 4.675 8.262 ( 2.121 4.727 -3.058) 6.016 8.699 ( -3.619 -6.264 -1.355) 7.360 9.035 ( -1.741 -7.075 2.580) 7.730 9.182 ( -1.241 2.348 -1.627) 3.115 9.232 ( -0.671 2.358 -4.079) 4.759 9.574 ( 2.907 -5.855 8.855) 11.006 10.075 ( 8.788 -1.201 -2.526) 9.222 11.278 ( 1.789 -11.331 -6.720) 13.295 12.305 ( -2.518 -7.427 0.735) 7.877 12.602 ( -3.081 -4.486 -1.720) 5.708 13.618 ( 0.441 0.121 1.657) 1.719 13.814 ( 6.745 6.151 -0.181) 9.130 13.999 ( 9.513 1.299 -2.011) 9.810 14.159 ( -1.810 -1.553 0.474) 2.432 14.406 ( -12.545 -0.271 -4.878) 13.463 14.573 ( -0.343 -1.746 4.856) 5.172 14.731 ( -7.195 -1.184 -1.595) 7.464 16.257 ( 4.225 0.448 -1.813) 4.619 16.420 ( 7.710 2.945 -9.037) 12.239 16.762 ( -10.644 3.371 -7.045) 13.202 17.841 ( -0.307 -0.780 10.239) 10.273 18.312 ( -0.117 2.074 15.335) 15.475 18.344 ( -1.001 0.625 13.364) 13.416 18.485 ( 0.192 0.541 20.587) 20.595 19.116 ( 0.017 -0.506 -0.539) 0.740 19.684 ( 0.036 -0.190 -1.745) 1.755 20.488 ( -0.192 -0.125 0.663) 0.702 20.568 ( -0.349 0.680 2.460) 2.576 20.984 ( 3.925 -3.262 -0.966) 5.194 21.139 ( -3.670 4.083 -1.245) 5.629 21.588 ( 1.193 -4.099 -2.898) 5.160 21.694 ( -5.250 -4.411 -3.576) 7.734 25.346 ( -0.684 -1.549 0.690) 1.829 25.680 ( 2.106 1.024 -1.858) 2.990 30.249 ( 1.592 4.563 0.559) 4.865 30.443 ( 2.030 4.182 -0.653) 4.694 38.114 ( 1.807 3.591 2.833) 4.918 38.841 ( 1.871 5.184 2.539) 6.068 39.035 ( -1.911 4.300 -1.187) 4.853 39.373 ( -3.024 -9.652 0.711) 10.140 39.854 ( -2.622 -5.705 -2.152) 6.637 41.021 ( 8.211 4.435 -12.442) 15.553 41.487 ( 2.666 8.158 -3.832) 9.399 42.038 ( -5.549 -9.017 -10.146) 14.665 ======================= Grid point 70 (30/80) ======================= q-point: (-0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 3.050 27.460) 27.628 1.933 ( 0.000 2.592 3.953) 4.727 2.119 ( 0.000 3.004 6.047) 6.752 2.184 ( -0.000 -3.657 18.121) 18.487 2.399 ( -0.000 -6.619 7.656) 10.120 2.573 ( 0.000 27.495 2.428) 27.602 2.964 ( 0.000 2.743 -3.248) 4.252 3.450 ( -0.000 -3.072 -1.703) 3.512 3.527 ( -0.000 -0.594 -0.993) 1.157 3.788 ( 0.000 9.513 -2.907) 9.947 3.908 ( 0.000 6.688 -1.044) 6.769 4.065 ( 0.000 8.085 6.447) 10.341 4.170 ( 0.000 35.855 -0.511) 35.858 4.338 ( 0.000 0.702 -9.031) 9.059 4.732 ( 0.000 9.574 2.153) 9.813 4.949 ( -0.000 -1.726 6.460) 6.687 4.957 ( -0.000 -1.972 6.080) 6.392 5.096 ( -0.000 -0.202 -1.601) 1.614 5.217 ( 0.000 2.691 3.907) 4.744 5.490 ( 0.000 2.202 3.586) 4.208 5.527 ( -0.000 -1.599 -1.038) 1.906 5.688 ( -0.000 -5.172 -1.996) 5.544 6.033 ( 0.000 3.724 5.277) 6.459 6.095 ( -0.000 -2.396 5.529) 6.026 6.450 ( 0.000 0.833 3.797) 3.887 6.761 ( 0.000 0.180 5.908) 5.911 7.906 ( 0.000 1.629 -3.112) 3.512 8.029 ( -0.000 -8.841 2.299) 9.135 8.195 ( 0.000 3.911 -0.468) 3.939 8.825 ( -0.000 -9.937 -4.308) 10.831 9.099 ( 0.000 3.162 -0.074) 3.163 9.143 ( -0.000 -6.508 4.713) 8.035 9.238 ( -0.000 -0.415 -7.348) 7.360 9.691 ( -0.000 -3.882 7.671) 8.597 10.130 ( 0.000 0.858 -2.583) 2.722 11.505 ( -0.000 -12.976 -10.528) 16.710 12.393 ( -0.000 -4.263 0.918) 4.360 12.704 ( -0.000 -8.306 -1.530) 8.446 13.618 ( 0.000 0.202 2.188) 2.197 13.736 ( 0.000 6.240 0.199) 6.243 14.137 ( -0.000 -1.343 -3.892) 4.117 14.198 ( -0.000 -1.099 -2.766) 2.977 14.206 ( 0.000 1.831 -3.109) 3.608 14.588 ( -0.000 -0.718 6.230) 6.271 14.726 ( -0.000 -1.512 -1.080) 1.858 16.318 ( -0.000 -3.290 0.095) 3.291 16.350 ( 0.000 10.026 -10.954) 14.849 16.661 ( -0.000 -0.551 -3.035) 3.084 17.854 ( -0.000 -0.798 9.233) 9.268 18.277 ( 0.000 1.546 14.950) 15.030 18.342 ( -0.000 -0.794 10.718) 10.747 18.503 ( -0.000 -2.636 25.223) 25.360 19.123 ( -0.000 -0.166 -0.500) 0.526 19.686 ( 0.000 0.009 -1.812) 1.812 20.477 ( 0.000 0.625 -0.513) 0.809 20.539 ( 0.000 2.212 2.970) 3.703 21.016 ( 0.000 5.977 -0.847) 6.036 21.113 ( -0.000 -6.136 -0.799) 6.187 21.653 ( -0.000 -1.643 -2.147) 2.703 21.742 ( -0.000 -5.804 -4.468) 7.324 25.385 ( -0.000 -3.168 0.448) 3.199 25.676 ( 0.000 1.063 -2.177) 2.422 30.168 ( 0.000 5.526 0.558) 5.554 30.367 ( 0.000 5.576 -0.709) 5.621 38.053 ( 0.000 4.367 2.602) 5.084 38.766 ( 0.000 3.712 3.211) 4.908 38.928 ( 0.000 6.925 -1.757) 7.144 39.565 ( -0.000 -12.873 1.217) 12.931 39.932 ( -0.000 -5.075 -2.596) 5.700 41.048 ( 0.000 0.384 -10.316) 10.323 41.331 ( 0.000 10.731 -4.161) 11.509 42.102 ( -0.000 -3.795 -13.966) 14.473 ======================= Grid point 75 (31/80) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -4.887 0.000 17.965) 18.617 1.820 ( 15.269 -0.000 23.719) 28.209 2.122 ( -8.646 0.000 23.552) 25.089 2.174 ( 10.034 -0.000 2.299) 10.294 2.448 ( -3.414 0.000 1.177) 3.611 3.085 ( 8.553 -0.000 0.821) 8.593 3.168 ( -5.034 0.000 -2.132) 5.467 3.512 ( 1.142 -0.000 -1.392) 1.801 3.579 ( 5.622 -0.000 -7.758) 9.581 3.744 ( -12.393 0.000 -2.823) 12.710 4.104 ( 18.139 -0.000 -2.349) 18.290 4.478 ( 6.451 -0.000 -1.918) 6.730 4.539 ( 2.412 -0.000 20.348) 20.490 4.624 ( -2.536 0.000 2.249) 3.389 4.769 ( 5.818 -0.000 -1.534) 6.017 4.800 ( -1.754 0.000 4.940) 5.242 4.961 ( 3.458 -0.000 1.405) 3.733 5.162 ( 11.712 -0.000 5.954) 13.139 5.283 ( 1.709 -0.000 -4.544) 4.855 5.438 ( 11.162 -0.000 0.488) 11.172 5.632 ( -12.997 0.000 0.750) 13.019 6.016 ( 2.084 -0.000 -0.429) 2.128 6.138 ( 1.496 -0.000 -1.397) 2.047 6.170 ( -1.264 0.000 1.083) 1.665 6.390 ( -0.829 0.000 1.562) 1.768 6.760 ( 1.258 -0.000 12.044) 12.110 7.618 ( -9.263 0.000 0.581) 9.282 8.113 ( -3.337 0.000 -4.307) 5.449 8.357 ( 2.931 -0.000 -6.343) 6.987 8.665 ( -3.717 0.000 11.805) 12.376 8.827 ( -3.492 0.000 -6.407) 7.297 9.163 ( -0.326 0.000 1.810) 1.839 9.292 ( -0.674 0.000 1.153) 1.335 9.502 ( -1.442 0.000 4.125) 4.370 10.025 ( 8.303 -0.000 -1.982) 8.536 11.032 ( 3.342 -0.000 -4.462) 5.575 12.122 ( -4.642 0.000 0.688) 4.693 12.547 ( -5.074 0.000 -2.487) 5.651 13.620 ( 0.513 -0.000 1.427) 1.517 13.952 ( 14.719 -0.000 -1.270) 14.773 14.011 ( -0.959 0.000 0.581) 1.121 14.132 ( -0.943 0.000 0.020) 0.944 14.391 ( -7.753 0.000 -3.925) 8.690 14.544 ( -0.006 0.000 5.432) 5.432 14.707 ( -9.468 0.000 -3.885) 10.234 16.246 ( -3.009 0.000 0.470) 3.045 16.486 ( 17.300 -0.000 -11.377) 20.706 16.851 ( -12.120 0.000 -12.481) 17.397 17.827 ( -0.456 0.000 11.542) 11.551 18.347 ( 0.577 -0.000 14.557) 14.568 18.381 ( -2.171 0.000 18.337) 18.466 18.511 ( -1.081 0.000 19.593) 19.623 19.103 ( 0.030 -0.000 -0.811) 0.811 19.679 ( 0.098 -0.000 -1.765) 1.768 20.455 ( 0.048 -0.000 0.899) 0.901 20.570 ( 0.960 -0.000 2.936) 3.089 20.945 ( 2.633 -0.000 -1.123) 2.863 21.239 ( -6.496 0.000 -1.169) 6.601 21.476 ( 3.465 -0.000 -3.531) 4.947 21.604 ( -5.540 0.000 -3.337) 6.467 25.325 ( -1.251 0.000 0.905) 1.545 25.701 ( 1.341 -0.000 -1.728) 2.187 30.340 ( 2.518 -0.000 0.551) 2.578 30.520 ( 3.116 -0.000 -0.567) 3.167 38.186 ( 3.154 -0.000 3.224) 4.510 38.951 ( 6.953 -0.000 0.796) 6.998 39.134 ( -2.737 0.000 1.325) 3.041 39.186 ( -10.273 0.000 -1.055) 10.327 39.724 ( -3.201 0.000 -1.644) 3.598 41.149 ( 0.037 -0.000 -17.950) 17.950 41.679 ( 4.000 -0.000 -4.758) 6.216 41.769 ( 4.277 -0.000 -4.191) 5.988 ======================= Grid point 76 (32/80) ======================= q-point: (-0.43 -0.57 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.000 -7.831 17.890) 19.529 2.000 ( -0.000 -1.104 24.525) 24.550 2.017 ( -0.000 -3.274 18.977) 19.258 2.201 ( 0.000 5.126 4.781) 7.010 2.412 ( 0.000 1.049 -0.288) 1.088 3.103 ( 0.000 2.622 -2.831) 3.859 3.220 ( -0.000 -6.600 -0.099) 6.601 3.356 ( 0.000 17.847 -3.524) 18.191 3.515 ( 0.000 1.655 1.996) 2.593 3.838 ( -0.000 -10.640 -5.141) 11.817 4.180 ( 0.000 5.297 -2.647) 5.921 4.401 ( 0.000 8.710 -2.409) 9.037 4.414 ( 0.000 10.725 8.807) 13.877 4.749 ( 0.000 2.549 -0.936) 2.715 4.756 ( -0.000 -7.425 12.501) 14.540 4.858 ( -0.000 -3.836 3.909) 5.477 4.998 ( -0.000 -2.046 1.231) 2.388 5.185 ( 0.000 9.874 -4.677) 10.926 5.279 ( -0.000 -1.126 5.481) 5.596 5.495 ( 0.000 2.105 1.290) 2.469 5.519 ( 0.000 0.864 -0.314) 0.919 5.956 ( 0.000 9.497 -5.205) 10.830 6.113 ( 0.000 3.320 -0.191) 3.325 6.133 ( 0.000 1.852 6.932) 7.175 6.403 ( -0.000 -1.946 1.934) 2.743 6.761 ( 0.000 0.509 10.634) 10.647 7.640 ( -0.000 -8.790 0.888) 8.835 8.067 ( 0.000 3.013 -4.028) 5.030 8.348 ( 0.000 3.175 -5.486) 6.338 8.618 ( 0.000 0.127 4.783) 4.784 8.891 ( -0.000 -7.578 -0.283) 7.583 9.172 ( -0.000 -1.265 -1.517) 1.975 9.286 ( 0.000 2.060 -0.376) 2.094 9.499 ( -0.000 -2.565 7.505) 7.931 10.101 ( -0.000 -2.278 -2.267) 3.214 11.120 ( -0.000 -7.426 -5.310) 9.129 12.153 ( -0.000 -6.705 0.749) 6.747 12.529 ( -0.000 -1.701 -2.108) 2.709 13.623 ( 0.000 0.075 1.706) 1.707 13.952 ( 0.000 5.122 0.303) 5.131 14.089 ( -0.000 -0.971 0.032) 0.971 14.149 ( -0.000 -1.721 -1.382) 2.207 14.282 ( 0.000 1.725 -4.749) 5.053 14.551 ( -0.000 -0.762 5.761) 5.812 14.669 ( -0.000 -1.375 -2.690) 3.021 16.238 ( -0.000 -1.253 0.459) 1.335 16.638 ( 0.000 5.183 -18.347) 19.066 16.676 ( 0.000 0.852 -3.325) 3.433 17.828 ( -0.000 -0.436 11.268) 11.277 18.346 ( 0.000 0.594 14.120) 14.132 18.349 ( 0.000 1.803 16.779) 16.876 18.498 ( 0.000 0.790 19.276) 19.292 19.108 ( -0.000 -0.457 -0.697) 0.834 19.681 ( -0.000 -0.169 -1.716) 1.724 20.471 ( -0.000 -1.451 0.576) 1.561 20.576 ( 0.000 0.184 3.023) 3.028 20.966 ( -0.000 -1.008 -1.218) 1.581 21.174 ( 0.000 2.659 -1.066) 2.865 21.546 ( -0.000 -3.304 -2.490) 4.137 21.579 ( -0.000 -2.972 -4.401) 5.310 25.322 ( -0.000 -0.650 0.894) 1.106 25.705 ( 0.000 0.515 -1.830) 1.901 30.329 ( 0.000 2.995 0.567) 3.048 30.517 ( 0.000 2.540 -0.598) 2.610 38.183 ( 0.000 2.547 3.133) 4.037 38.963 ( 0.000 5.880 1.478) 6.063 39.069 ( 0.000 1.871 -0.475) 1.930 39.194 ( -0.000 -7.264 0.848) 7.313 39.747 ( -0.000 -4.505 -2.010) 4.933 41.124 ( 0.000 2.606 -16.081) 16.291 41.635 ( 0.000 6.228 -3.949) 7.375 41.873 ( -0.000 -6.964 -5.564) 8.914 ======================= Grid point 102 (33/80) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 0.000 24.106) 24.106 0.880 ( 0.000 0.000 23.749) 23.749 1.843 ( 0.000 0.000 35.213) 35.213 2.529 ( 0.000 0.000 9.846) 9.846 2.624 ( 0.000 0.000 10.058) 10.058 2.726 ( 0.000 0.000 27.716) 27.716 2.799 ( 0.000 0.000 -3.975) 3.975 3.242 ( 0.000 0.000 -17.468) 17.468 3.358 ( 0.000 0.000 -8.695) 8.695 3.477 ( 0.000 0.000 -6.770) 6.770 3.765 ( 0.000 0.000 -2.167) 2.167 3.775 ( 0.000 0.000 2.353) 2.353 4.023 ( 0.000 0.000 1.305) 1.305 4.231 ( 0.000 0.000 7.037) 7.037 4.234 ( 0.000 0.000 12.120) 12.120 4.458 ( 0.000 0.000 -3.317) 3.317 4.721 ( 0.000 0.000 -1.117) 1.117 4.811 ( 0.000 0.000 -8.694) 8.694 5.355 ( 0.000 0.000 -2.249) 2.249 5.568 ( 0.000 0.000 4.743) 4.743 5.750 ( 0.000 0.000 -2.898) 2.898 5.772 ( 0.000 0.000 13.052) 13.052 6.120 ( 0.000 0.000 -6.424) 6.424 6.525 ( 0.000 0.000 -0.120) 0.120 6.545 ( 0.000 0.000 16.001) 16.001 7.068 ( 0.000 0.000 14.797) 14.797 7.866 ( 0.000 0.000 -6.845) 6.845 8.385 ( 0.000 0.000 3.743) 3.743 8.953 ( 0.000 0.000 -11.409) 11.409 9.110 ( 0.000 0.000 -7.213) 7.213 9.142 ( 0.000 0.000 4.612) 4.612 9.167 ( 0.000 0.000 1.529) 1.529 9.448 ( 0.000 0.000 -0.813) 0.813 9.538 ( 0.000 0.000 5.847) 5.847 9.860 ( 0.000 0.000 -5.279) 5.279 10.085 ( 0.000 0.000 -2.441) 2.441 12.635 ( 0.000 0.000 1.896) 1.896 12.914 ( 0.000 0.000 -2.078) 2.078 13.558 ( 0.000 0.000 3.284) 3.284 13.666 ( 0.000 0.000 4.099) 4.099 13.884 ( 0.000 0.000 -1.243) 1.243 14.147 ( 0.000 0.000 -4.243) 4.243 14.348 ( 0.000 0.000 -1.391) 1.391 14.391 ( 0.000 0.000 -2.918) 2.918 14.758 ( 0.000 0.000 8.471) 8.471 15.818 ( 0.000 0.000 -8.707) 8.707 16.477 ( 0.000 0.000 0.213) 0.213 16.704 ( 0.000 0.000 -4.125) 4.125 18.066 ( 0.000 0.000 13.083) 13.083 18.661 ( 0.000 0.000 12.080) 12.080 18.683 ( 0.000 0.000 24.442) 24.442 19.065 ( 0.000 0.000 -2.832) 2.832 19.601 ( 0.000 0.000 -4.164) 4.164 20.410 ( 0.000 0.000 5.167) 5.167 20.463 ( 0.000 0.000 -2.774) 2.774 20.703 ( 0.000 0.000 -1.323) 1.323 21.330 ( 0.000 0.000 -1.476) 1.476 21.508 ( 0.000 0.000 -4.263) 4.263 21.538 ( 0.000 0.000 0.951) 0.951 21.781 ( 0.000 0.000 -2.965) 2.965 25.525 ( 0.000 0.000 0.393) 0.393 25.609 ( 0.000 0.000 -0.886) 0.886 29.947 ( 0.000 0.000 0.948) 0.948 30.089 ( 0.000 0.000 -1.146) 1.146 37.927 ( 0.000 0.000 3.969) 3.969 38.469 ( 0.000 0.000 -3.553) 3.553 38.808 ( 0.000 0.000 4.835) 4.835 39.494 ( 0.000 0.000 -4.731) 4.731 40.125 ( 0.000 0.000 4.106) 4.106 40.177 ( 0.000 0.000 3.430) 3.430 40.854 ( 0.000 0.000 -6.118) 6.118 41.012 ( 0.000 0.000 -8.542) 8.542 ======================= Grid point 103 (34/80) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.175 -19.133 16.564) 26.305 1.427 ( 24.268 -25.285 13.394) 37.519 1.981 ( 8.309 -12.737 29.161) 32.888 2.354 ( -7.574 8.789 13.107) 17.504 2.667 ( 0.420 1.998 11.199) 11.384 2.695 ( 1.430 -0.335 8.962) 9.082 2.794 ( 1.852 2.042 15.810) 16.049 3.161 ( -0.247 7.976 -13.172) 15.401 3.407 ( 5.421 0.111 -10.596) 11.903 3.505 ( 2.978 3.431 -4.682) 6.524 3.603 ( -4.951 -0.470 -0.118) 4.974 3.916 ( 6.406 4.484 1.648) 7.991 3.976 ( 8.004 0.568 -0.758) 8.059 4.275 ( 12.250 5.166 9.626) 16.414 4.409 ( 0.952 -15.949 4.901) 16.712 4.524 ( 1.869 -5.593 -2.400) 6.367 4.775 ( -2.425 -8.521 -1.620) 9.006 4.906 ( 4.502 -5.286 -4.401) 8.220 5.397 ( 0.495 -2.977 0.521) 3.062 5.532 ( -3.492 0.626 6.435) 7.348 5.724 ( 1.099 5.442 10.596) 11.963 5.813 ( 2.285 -4.603 -1.438) 5.336 6.046 ( -2.674 5.360 -5.849) 8.372 6.478 ( -3.380 4.773 5.555) 8.066 6.554 ( 0.079 -1.627 10.696) 10.820 6.946 ( 1.623 8.808 16.699) 18.949 7.871 ( 2.382 1.160 -7.013) 7.497 8.358 ( -1.715 1.464 3.492) 4.157 8.559 ( -5.294 22.201 6.017) 23.603 8.973 ( -2.568 -1.901 -8.393) 8.980 9.070 ( -1.555 3.269 -5.212) 6.345 9.242 ( 0.631 5.244 -0.041) 5.282 9.534 ( 1.630 2.494 6.213) 6.890 9.548 ( -5.168 -9.610 2.189) 11.129 10.007 ( -10.695 -7.831 -4.845) 14.113 10.518 ( 4.973 -35.097 -17.470) 39.519 12.593 ( -2.818 1.974 1.729) 3.851 12.898 ( -1.516 1.571 -3.209) 3.881 13.535 ( -3.599 -0.753 2.365) 4.372 13.663 ( -1.058 -0.360 3.443) 3.620 13.889 ( 0.229 0.650 -1.441) 1.598 14.273 ( 1.729 3.232 -2.463) 4.416 14.306 ( 19.294 -0.246 -6.643) 20.407 14.478 ( -1.518 -6.441 -2.653) 7.130 14.759 ( -0.652 -1.321 7.668) 7.808 15.801 ( -5.090 -1.564 -8.689) 10.191 16.463 ( -0.368 0.929 0.113) 1.006 16.712 ( 3.626 1.652 -5.033) 6.420 18.071 ( 0.377 -0.245 13.126) 13.134 18.640 ( -1.214 0.942 14.789) 14.868 18.695 ( 2.599 0.964 21.949) 22.123 19.073 ( 0.024 -0.823 -2.331) 2.472 19.604 ( 0.098 -0.110 -4.165) 4.168 20.361 ( -9.095 13.137 11.779) 19.850 20.469 ( 1.521 0.133 -0.110) 1.531 20.646 ( -21.964 16.043 15.125) 31.121 20.762 ( -4.830 3.518 3.645) 6.999 21.398 ( 4.178 10.068 -1.644) 11.024 21.542 ( 3.168 -0.307 -3.442) 4.688 21.850 ( -1.265 -1.027 -5.942) 6.161 25.517 ( -2.347 -0.068 -0.361) 2.375 25.589 ( -0.407 1.603 -1.056) 1.963 29.993 ( 4.387 -1.353 0.730) 4.648 30.131 ( 3.473 -2.048 -1.167) 4.197 37.958 ( 2.534 -1.587 4.168) 5.130 38.625 ( 16.135 2.895 -5.933) 17.433 38.832 ( 5.007 0.873 3.324) 6.073 39.784 ( -5.167 -15.565 -15.032) 22.247 40.110 ( -3.728 1.612 2.957) 5.024 40.287 ( -1.822 -22.140 -7.632) 23.489 40.945 ( 5.157 -3.945 -6.018) 8.853 41.091 ( 13.226 -5.848 -11.147) 18.259 ======================= Grid point 104 (35/80) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 10.457 -23.986 7.432) 27.202 1.885 ( 7.198 -10.251 22.861) 26.067 2.147 ( -5.611 4.441 13.613) 15.379 2.401 ( 7.557 -12.855 3.878) 15.407 2.510 ( 4.655 13.059 2.696) 14.123 2.761 ( 0.473 3.923 22.837) 23.177 2.898 ( 4.631 1.683 -2.090) 5.352 3.086 ( 1.291 -5.876 1.050) 6.107 3.322 ( -0.854 -4.015 2.046) 4.587 3.455 ( 1.223 2.435 -6.412) 6.966 3.722 ( 3.932 1.184 0.985) 4.223 3.897 ( 8.613 -0.715 -2.851) 9.101 4.169 ( 12.133 -3.522 -2.302) 12.842 4.334 ( 12.953 5.877 9.709) 17.222 4.637 ( 3.143 -2.855 -1.105) 4.387 4.728 ( 2.875 -16.765 2.239) 17.156 4.910 ( -2.581 -9.097 -0.856) 9.494 5.041 ( 2.684 -4.299 2.441) 5.626 5.366 ( -4.237 4.794 14.180) 15.557 5.516 ( -1.867 -2.556 3.057) 4.400 5.667 ( 3.749 4.475 0.850) 5.899 5.856 ( -2.023 2.505 -2.534) 4.098 6.001 ( 3.179 -3.680 -1.199) 5.009 6.329 ( -3.123 5.799 6.625) 9.342 6.595 ( 0.859 -2.142 8.631) 8.934 6.881 ( 0.823 2.359 14.257) 14.474 7.882 ( 3.770 2.038 -7.358) 8.515 8.242 ( -4.501 9.801 1.147) 10.846 8.323 ( -0.816 -0.042 2.855) 2.970 8.929 ( -5.667 0.267 -8.701) 10.387 9.036 ( 1.156 0.108 -2.791) 3.023 9.167 ( 2.627 6.043 -0.914) 6.652 9.485 ( 0.094 4.510 5.011) 6.743 9.592 ( -8.146 -5.402 4.983) 10.971 9.978 ( -8.664 -2.925 -1.381) 9.248 10.978 ( -3.092 -18.162 -16.224) 24.549 12.529 ( -2.578 1.159 0.749) 2.924 12.819 ( -4.308 2.666 -3.358) 6.078 13.512 ( -2.416 -0.979 1.097) 2.828 13.648 ( -1.864 0.093 1.674) 2.507 13.882 ( 1.889 1.091 0.361) 2.211 14.249 ( 0.374 0.122 0.115) 0.410 14.500 ( 11.280 3.695 -6.888) 13.724 14.546 ( -2.293 -3.998 -2.597) 5.290 14.841 ( 7.721 -3.671 1.085) 8.618 15.753 ( -7.606 -2.266 -8.355) 11.523 16.453 ( 0.714 0.285 -0.704) 1.042 16.731 ( 4.340 1.970 -6.575) 8.121 18.080 ( 0.339 -0.184 13.227) 13.232 18.609 ( -0.697 1.176 15.322) 15.383 18.716 ( 3.716 0.656 22.311) 22.628 19.088 ( -0.235 -0.809 -1.077) 1.368 19.523 ( -13.190 16.442 18.938) 28.337 19.682 ( -8.355 8.584 15.157) 19.319 20.508 ( 2.158 -1.451 3.990) 4.762 20.542 ( 2.083 -1.234 0.294) 2.439 20.813 ( 1.267 -3.582 -1.239) 3.996 21.249 ( -4.027 7.368 -3.384) 9.053 21.585 ( 1.708 -1.062 -3.554) 4.084 21.826 ( -0.824 1.236 -6.047) 6.227 25.464 ( -3.099 1.717 0.151) 3.546 25.562 ( -0.786 0.594 -1.832) 2.080 30.076 ( 4.392 -1.601 0.907) 4.762 30.221 ( 4.095 -2.360 -1.213) 4.879 38.027 ( 3.137 -1.835 4.558) 5.830 38.727 ( 6.657 -0.392 -0.680) 6.703 38.879 ( 5.831 2.012 0.056) 6.169 39.733 ( -10.551 2.464 -4.430) 11.706 40.079 ( -1.046 -0.673 0.882) 1.525 40.498 ( -7.723 -7.097 -12.549) 16.355 41.079 ( 7.472 -2.565 -5.532) 9.644 41.545 ( 14.833 -17.695 -25.689) 34.541 ======================= Grid point 105 (36/80) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -0.298 -0.741 13.504) 13.528 2.093 ( 6.902 -14.239 10.712) 19.108 2.133 ( -0.906 -7.809 9.962) 12.691 2.402 ( 8.132 6.449 4.674) 11.382 2.570 ( -2.178 3.174 8.582) 9.405 2.668 ( -0.281 -0.043 5.231) 5.238 2.773 ( -0.588 4.754 -0.562) 4.823 2.948 ( -6.173 7.437 6.456) 11.623 3.465 ( 4.720 -0.405 -2.068) 5.169 3.569 ( -4.298 2.542 0.819) 5.060 3.911 ( 9.236 -21.564 0.414) 23.462 4.067 ( 7.132 -4.111 -5.042) 9.653 4.277 ( 6.042 3.589 -0.427) 7.041 4.412 ( 6.016 -0.270 8.379) 10.319 4.600 ( -4.124 7.311 1.212) 8.481 4.931 ( -2.203 -2.868 2.545) 4.422 5.079 ( 3.471 -6.420 5.305) 9.023 5.138 ( 2.675 -8.996 3.803) 10.126 5.220 ( -1.418 5.261 13.548) 14.603 5.475 ( -4.000 5.491 0.936) 6.858 5.630 ( 0.334 0.982 -1.691) 1.984 5.844 ( 1.493 -0.666 -1.600) 2.287 6.113 ( 2.071 -3.999 3.827) 5.910 6.222 ( -1.608 3.629 4.642) 6.108 6.638 ( 0.793 -1.190 7.662) 7.794 6.854 ( -0.432 0.778 12.697) 12.729 7.891 ( 2.433 1.401 -7.359) 7.877 8.090 ( -2.622 2.738 -3.130) 4.916 8.340 ( 0.621 -1.128 2.511) 2.822 8.884 ( -2.554 -0.973 -6.347) 6.911 9.058 ( 1.346 -0.315 -2.094) 2.510 9.100 ( 1.617 4.013 -1.854) 4.707 9.393 ( -2.052 3.224 3.666) 5.295 9.574 ( -3.466 -1.626 5.344) 6.574 9.919 ( -4.718 -0.815 2.118) 5.235 11.137 ( -1.065 -4.839 -12.512) 13.457 12.495 ( -0.909 0.303 0.353) 1.021 12.739 ( -2.386 1.066 -3.202) 4.133 13.507 ( -0.818 -0.566 0.462) 1.097 13.624 ( -0.891 0.340 0.343) 1.014 13.894 ( 1.282 0.221 2.175) 2.535 14.264 ( 0.628 -0.558 1.126) 1.404 14.503 ( 0.836 1.883 -4.480) 4.931 14.570 ( -0.389 -0.937 -1.613) 1.906 14.982 ( 5.416 -1.129 -3.417) 6.503 15.709 ( -3.866 -1.186 -7.868) 8.847 16.465 ( 0.681 -0.214 -1.887) 2.018 16.743 ( 1.763 0.989 -7.095) 7.377 18.084 ( 0.115 -0.048 13.314) 13.315 18.588 ( -0.217 0.536 15.558) 15.569 18.774 ( 4.510 -1.407 23.808) 24.272 19.039 ( -7.196 6.195 22.074) 24.030 19.136 ( -2.624 3.031 9.073) 9.919 19.646 ( -0.066 -0.133 -1.528) 1.536 20.550 ( 0.969 -0.759 4.783) 4.938 20.597 ( 2.270 -0.961 0.107) 2.467 20.888 ( 0.847 -3.353 -1.506) 3.772 21.079 ( -3.822 5.179 -5.203) 8.277 21.614 ( 0.656 -0.486 -3.630) 3.720 21.804 ( -0.253 0.486 -5.931) 5.956 25.410 ( -1.293 0.945 0.596) 1.709 25.549 ( -0.481 0.098 -2.174) 2.229 30.138 ( 1.827 -0.762 0.962) 2.201 30.289 ( 1.739 -0.981 -1.238) 2.349 38.079 ( 1.343 -0.730 4.836) 5.072 38.817 ( 3.067 -2.525 3.188) 5.094 38.890 ( 1.612 2.125 -2.914) 3.950 39.580 ( -4.972 2.235 -1.903) 5.774 40.083 ( -0.507 -0.607 0.356) 0.867 40.479 ( -2.991 -0.665 -8.756) 9.276 41.181 ( 3.078 -1.103 -5.166) 6.114 41.876 ( 4.789 -6.220 -27.230) 28.339 ======================= Grid point 110 (37/80) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 24.214 -0.000 14.007) 27.973 1.551 ( 30.738 -0.000 14.175) 33.848 2.013 ( 16.146 -0.000 24.968) 29.734 2.306 ( -9.464 0.000 21.120) 23.144 2.579 ( -1.141 0.000 5.972) 6.080 2.789 ( 2.386 -0.000 28.513) 28.613 2.856 ( 3.397 -0.000 -1.474) 3.702 3.265 ( 0.845 -0.000 -15.959) 15.981 3.435 ( 0.801 -0.000 -7.888) 7.929 3.543 ( -0.484 0.000 0.769) 0.908 3.767 ( 22.486 -0.000 -3.413) 22.743 4.079 ( 11.199 -0.000 4.169) 11.950 4.086 ( 5.008 -0.000 -1.216) 5.153 4.261 ( 5.720 -0.000 2.713) 6.331 4.474 ( 1.933 -0.000 -4.132) 4.561 4.513 ( 15.597 -0.000 8.867) 17.941 4.684 ( 1.087 -0.000 -2.263) 2.510 4.929 ( 6.062 -0.000 -2.113) 6.420 5.373 ( -1.248 0.000 4.737) 4.899 5.464 ( -7.145 0.000 2.141) 7.459 5.795 ( 2.982 -0.000 6.491) 7.143 5.808 ( 3.772 -0.000 -2.281) 4.408 6.043 ( -5.120 0.000 -5.394) 7.437 6.500 ( -1.793 0.000 0.413) 1.840 6.505 ( -2.766 0.000 15.090) 15.342 7.055 ( -1.037 0.000 16.378) 16.411 7.919 ( 3.539 -0.000 -7.745) 8.516 8.312 ( -7.031 0.000 2.658) 7.516 8.693 ( -19.515 0.000 4.582) 20.045 8.905 ( -3.920 0.000 -11.974) 12.599 9.170 ( -4.128 0.000 2.179) 4.667 9.200 ( 2.886 -0.000 2.151) 3.599 9.372 ( -2.706 0.000 2.583) 3.741 9.596 ( -7.750 0.000 -3.187) 8.379 9.639 ( 2.937 -0.000 4.729) 5.567 10.443 ( 16.753 -0.000 -4.904) 17.456 12.542 ( -7.245 0.000 1.881) 7.485 12.879 ( -4.805 0.000 -4.946) 6.896 13.509 ( 0.242 -0.000 1.169) 1.194 13.645 ( -1.246 0.000 2.249) 2.571 13.926 ( 2.985 -0.000 0.493) 3.025 14.328 ( -0.511 0.000 -1.606) 1.686 14.353 ( -3.065 0.000 -1.982) 3.650 14.606 ( 24.571 -0.000 -15.229) 28.908 14.723 ( -2.334 0.000 8.376) 8.695 15.721 ( -5.479 0.000 -7.980) 9.680 16.451 ( -2.270 0.000 0.428) 2.310 16.774 ( 3.773 -0.000 -7.177) 8.108 18.076 ( 0.679 -0.000 13.405) 13.422 18.636 ( -0.812 0.000 14.858) 14.880 18.740 ( 3.347 -0.000 23.115) 23.356 19.066 ( 0.107 -0.000 -2.767) 2.769 19.606 ( 0.360 -0.000 -4.078) 4.094 20.306 ( -48.358 0.000 29.444) 56.616 20.432 ( 1.693 -0.000 3.380) 3.780 20.505 ( 3.039 -0.000 -0.216) 3.046 20.753 ( 2.043 -0.000 -0.672) 2.151 21.431 ( -5.129 0.000 -5.837) 7.771 21.660 ( -4.196 0.000 -2.910) 5.107 21.764 ( -2.009 0.000 -3.088) 3.684 25.482 ( -3.129 0.000 0.622) 3.191 25.604 ( -0.096 0.000 -1.276) 1.280 30.062 ( 7.324 -0.000 0.173) 7.326 30.179 ( 6.767 -0.000 -1.087) 6.854 37.991 ( 5.015 -0.000 4.656) 6.843 38.791 ( 2.664 -0.000 2.637) 3.748 39.224 ( 28.521 -0.000 -27.257) 39.451 39.418 ( -5.691 0.000 -3.393) 6.626 40.015 ( -7.315 0.000 1.864) 7.549 40.164 ( 6.253 -0.000 -6.054) 8.703 41.035 ( 12.340 -0.000 -5.303) 13.431 41.179 ( 11.507 -0.000 -7.303) 13.629 ======================= Grid point 111 (38/80) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 23.770 -6.929 7.105) 25.759 1.859 ( 10.719 -5.244 21.409) 24.510 2.067 ( -10.925 -1.623 18.864) 21.859 2.426 ( 16.873 0.232 5.249) 17.672 2.724 ( 2.498 6.341 7.344) 10.019 2.814 ( 7.792 -6.089 24.536) 26.454 2.860 ( 10.251 -6.739 5.227) 13.335 3.195 ( 1.066 7.767 -8.252) 11.383 3.404 ( 1.007 5.880 -4.972) 7.766 3.508 ( 3.887 4.154 -3.020) 6.441 3.964 ( 1.229 1.010 -3.935) 4.244 3.987 ( 15.612 12.573 2.060) 20.152 4.277 ( 13.235 -2.092 2.196) 13.578 4.534 ( 10.152 -8.367 -0.099) 13.156 4.574 ( 8.529 -3.736 6.326) 11.257 4.647 ( 10.562 -1.062 -1.187) 10.681 4.779 ( 3.700 -4.816 0.616) 6.104 5.029 ( 4.820 -2.609 1.712) 5.742 5.343 ( -6.227 -0.564 12.081) 13.603 5.418 ( -3.336 -4.520 0.298) 5.625 5.780 ( 2.664 4.579 -0.684) 5.341 5.875 ( 0.089 1.605 0.426) 1.662 5.981 ( 0.054 -1.725 -4.487) 4.807 6.389 ( -3.299 5.785 8.660) 10.925 6.533 ( -1.444 -3.621 6.687) 7.740 6.979 ( 0.621 5.697 16.430) 17.401 7.953 ( 2.854 0.482 -7.971) 8.480 8.229 ( -8.512 -2.467 1.614) 9.008 8.350 ( -10.435 10.790 1.901) 15.130 8.838 ( -7.386 0.302 -10.463) 12.811 9.058 ( -0.613 0.809 2.208) 2.430 9.286 ( 0.937 2.703 1.916) 3.443 9.404 ( -5.585 -6.172 2.484) 8.687 9.557 ( 3.115 1.411 2.644) 4.322 9.737 ( -5.552 -8.396 1.842) 10.233 10.743 ( 10.435 -12.291 -8.104) 18.045 12.455 ( -7.829 -1.664 1.442) 8.132 12.780 ( -8.052 1.507 -4.544) 9.368 13.527 ( 3.901 1.052 -0.017) 4.041 13.633 ( -0.766 -0.033 1.133) 1.368 13.944 ( 3.008 2.079 1.312) 3.885 14.260 ( -1.026 1.690 -0.685) 2.092 14.421 ( -2.502 -6.058 -2.387) 6.976 14.650 ( 0.867 4.239 2.807) 5.158 14.881 ( 8.261 -3.841 -10.585) 13.965 15.689 ( 1.404 -0.069 -8.954) 9.064 16.426 ( -3.002 -1.197 0.112) 3.233 16.796 ( 1.302 1.217 -8.680) 8.861 18.084 ( 0.505 0.016 13.645) 13.654 18.621 ( -0.346 0.868 14.953) 14.982 18.776 ( 3.816 0.784 24.360) 24.669 19.074 ( 0.012 -0.596 -2.009) 2.095 19.572 ( -13.850 9.210 13.143) 21.199 19.666 ( -16.837 5.937 19.012) 26.081 20.484 ( 1.287 -2.628 3.612) 4.648 20.556 ( 3.136 -1.176 0.869) 3.460 20.800 ( 3.064 -1.189 -1.267) 3.522 21.312 ( -5.314 6.146 -6.078) 10.147 21.572 ( -4.039 -0.578 -2.613) 4.846 21.763 ( -5.373 -2.793 -4.551) 7.575 25.438 ( -3.432 0.370 0.748) 3.532 25.589 ( 0.770 1.769 -1.646) 2.536 30.144 ( 6.845 0.837 0.673) 6.929 30.272 ( 7.202 -0.153 -1.101) 7.287 38.065 ( 5.830 -0.248 5.176) 7.800 38.811 ( 3.493 1.099 3.801) 5.278 39.104 ( 6.457 12.892 -7.689) 16.341 39.571 ( -10.523 -5.918 -6.724) 13.819 39.954 ( -7.949 -3.563 0.421) 8.721 40.394 ( 10.237 -6.219 -20.029) 23.338 41.186 ( 11.844 0.800 -5.135) 12.934 41.444 ( 12.846 -12.696 -14.291) 23.032 ======================= Grid point 112 (39/80) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 3.622 -6.627 7.384) 10.562 2.015 ( 1.980 -5.977 9.717) 11.578 2.083 ( 10.255 -3.913 22.843) 25.343 2.517 ( -1.997 3.013 4.841) 6.042 2.639 ( 12.414 3.431 -1.172) 12.933 2.773 ( 1.125 5.055 25.270) 25.795 2.964 ( 0.789 12.589 -4.362) 13.346 3.114 ( 2.232 12.271 -0.031) 12.472 3.499 ( 1.684 -0.881 -2.515) 3.153 3.645 ( 18.378 -12.432 0.335) 22.191 3.806 ( 5.469 8.551 -1.166) 10.217 4.072 ( 2.618 -1.964 -2.243) 3.968 4.427 ( 10.645 3.484 -0.294) 11.205 4.507 ( 0.588 5.493 11.239) 12.524 4.701 ( 0.278 4.143 -3.440) 5.392 4.872 ( 3.651 -2.648 2.655) 5.233 5.002 ( 14.344 -11.968 0.325) 18.684 5.081 ( 0.199 -1.157 6.741) 6.843 5.274 ( -3.004 2.261 12.713) 13.257 5.465 ( -1.883 -1.524 1.592) 2.899 5.690 ( -0.739 6.180 -2.591) 6.741 5.815 ( -3.015 -0.435 -0.277) 3.059 6.075 ( 2.835 -3.799 0.293) 4.750 6.268 ( -1.883 4.362 6.849) 8.335 6.584 ( -1.482 -3.847 6.863) 8.006 6.909 ( 1.589 3.852 14.223) 14.821 7.955 ( 0.099 3.108 -7.459) 8.081 8.127 ( -3.129 3.794 -2.745) 5.632 8.207 ( -8.103 -5.892 1.420) 10.119 8.764 ( -7.050 -3.196 -7.296) 10.637 9.077 ( 1.427 -0.961 1.073) 2.028 9.207 ( -0.965 5.343 0.336) 5.440 9.344 ( -8.281 0.775 2.097) 8.578 9.618 ( 8.271 0.718 5.875) 10.171 9.818 ( 0.567 -5.910 1.371) 6.093 11.029 ( 4.423 -9.585 -10.426) 14.837 12.426 ( -5.098 -3.983 0.932) 6.536 12.677 ( -6.390 -1.107 -3.350) 7.299 13.565 ( 6.860 2.274 -0.377) 7.237 13.628 ( 0.402 0.360 0.579) 0.792 13.932 ( 1.281 2.382 1.797) 3.247 14.242 ( -1.775 -1.011 0.575) 2.122 14.467 ( -3.297 -2.909 -4.180) 6.066 14.596 ( 0.801 2.520 1.115) 2.869 14.944 ( -5.718 -2.818 -4.391) 7.741 15.759 ( 10.637 1.435 -10.506) 15.020 16.419 ( -3.612 -2.390 -0.973) 4.439 16.763 ( -2.529 1.629 -8.322) 8.849 18.087 ( 0.143 0.102 13.693) 13.694 18.601 ( 0.020 1.090 15.335) 15.373 18.809 ( 2.540 0.409 25.111) 25.242 19.053 ( -4.942 4.093 13.837) 15.252 19.147 ( -7.527 5.137 17.098) 19.375 19.638 ( -0.094 -0.575 -2.121) 2.199 20.535 ( 0.096 -1.625 3.494) 3.855 20.607 ( 1.669 -0.645 1.658) 2.439 20.863 ( 3.016 -2.259 -1.865) 4.205 21.145 ( -2.548 6.417 -5.372) 8.748 21.565 ( -3.862 -3.267 -3.937) 6.411 21.743 ( -5.373 -2.847 -5.495) 8.196 25.397 ( -2.068 0.115 0.921) 2.267 25.575 ( 1.947 1.566 -2.144) 3.293 30.190 ( 4.317 2.051 0.972) 4.877 30.337 ( 4.770 1.530 -1.179) 5.146 38.119 ( 4.029 1.364 5.309) 6.803 38.847 ( 3.801 0.459 5.169) 6.433 38.997 ( 2.015 6.756 -5.489) 8.934 39.502 ( -7.413 -2.447 -1.798) 8.011 39.942 ( -7.509 -5.861 -0.869) 9.565 40.526 ( 6.933 0.558 -14.161) 15.777 41.270 ( 7.285 3.479 -5.057) 9.526 41.775 ( 3.932 -10.567 -21.196) 24.008 ======================= Grid point 113 (40/80) ======================= q-point: (-0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -1.750 -2.692 17.241) 17.537 2.122 ( -2.596 -4.377 4.958) 7.105 2.217 ( 1.496 0.822 10.110) 10.253 2.449 ( 2.720 11.174 12.453) 16.951 2.623 ( 4.898 7.113 4.709) 9.837 2.722 ( -1.618 5.862 14.486) 15.711 2.829 ( 5.102 3.679 -4.036) 7.473 3.038 ( 14.427 2.213 3.632) 15.041 3.476 ( -2.020 3.592 -1.875) 4.527 3.675 ( 11.023 5.539 -1.652) 12.447 3.988 ( -4.416 -0.502 -5.619) 7.164 4.115 ( -2.925 -3.793 -3.861) 6.152 4.271 ( -8.282 22.940 -2.248) 24.492 4.411 ( -4.379 6.976 6.793) 10.677 4.603 ( 7.143 0.224 3.548) 7.979 4.971 ( 5.280 -3.156 4.772) 7.785 5.129 ( 1.251 -1.064 10.160) 10.291 5.169 ( -0.784 0.800 8.352) 8.427 5.251 ( 0.572 3.540 2.057) 4.134 5.440 ( 3.191 -1.958 1.982) 4.236 5.623 ( -0.657 1.237 -0.203) 1.415 5.784 ( -6.156 -1.844 -0.104) 6.427 6.151 ( 0.582 0.379 5.612) 5.654 6.190 ( -0.543 0.319 3.211) 3.272 6.607 ( -2.799 -1.617 7.584) 8.244 6.890 ( 2.745 1.786 12.026) 12.464 7.864 ( -3.377 2.627 -6.983) 8.189 8.110 ( 3.040 0.420 -4.422) 5.383 8.221 ( -8.355 -6.918 3.326) 11.346 8.789 ( -4.496 -7.353 -5.553) 10.252 9.079 ( 0.572 2.001 -2.636) 3.359 9.110 ( -0.244 4.188 -2.110) 4.695 9.303 ( -3.123 -5.183 5.555) 8.214 9.710 ( 9.862 1.613 6.199) 11.759 9.951 ( 6.075 -3.610 -0.351) 7.075 11.183 ( 3.376 -3.659 -13.300) 14.202 12.450 ( -2.221 -3.583 0.981) 4.328 12.685 ( -1.698 -5.265 -2.839) 6.218 13.605 ( 7.390 3.962 -0.144) 8.386 13.641 ( 2.968 -0.076 1.120) 3.173 13.896 ( -0.473 1.930 0.866) 2.167 14.239 ( -2.216 -1.365 1.683) 3.099 14.426 ( -8.237 -0.433 -6.409) 10.445 14.593 ( 1.672 -0.036 -1.934) 2.557 14.886 ( -8.092 -1.269 2.302) 8.509 15.864 ( 12.501 3.541 -10.743) 16.859 16.410 ( -4.401 -2.228 -1.424) 5.135 16.693 ( -5.314 0.331 -6.609) 8.487 18.085 ( -0.064 0.116 13.481) 13.482 18.590 ( 0.402 0.369 15.549) 15.558 18.751 ( -5.156 2.990 24.081) 24.807 19.019 ( 5.308 -4.794 29.141) 30.006 19.118 ( -0.161 -0.698 2.051) 2.172 19.644 ( -0.051 -0.237 -1.843) 1.859 20.523 ( -3.822 0.206 0.846) 3.920 20.607 ( 0.190 1.528 3.187) 3.539 20.941 ( 3.024 0.571 -1.325) 3.350 21.070 ( 2.124 -0.339 -3.971) 4.516 21.576 ( -2.406 -2.446 -4.828) 5.923 21.734 ( -5.062 -3.534 -6.317) 8.833 25.395 ( 0.005 -1.522 0.829) 1.733 25.581 ( 2.515 1.190 -2.642) 3.837 30.173 ( 0.937 3.641 1.023) 3.897 30.330 ( 1.370 3.643 -1.262) 4.092 38.112 ( 1.227 3.046 5.105) 6.070 38.852 ( 0.056 2.623 5.558) 6.146 38.900 ( -0.721 5.127 -4.407) 6.799 39.546 ( 2.119 -6.865 -0.287) 7.190 39.962 ( -6.820 -6.286 -2.102) 9.510 40.606 ( 9.904 1.100 -11.227) 15.011 41.235 ( 1.004 6.448 -5.377) 8.456 41.864 ( -4.591 -0.230 -22.746) 23.206 ======================= Grid point 114 (41/80) ======================= q-point: (-0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -1.748 4.247 25.508) 25.918 2.057 ( 2.764 25.061 6.359) 26.002 2.154 ( -1.102 2.377 8.027) 8.444 2.198 ( -4.256 -6.728 5.246) 9.533 2.553 ( -1.418 8.922 5.330) 10.489 2.702 ( 0.972 -3.360 18.340) 18.671 2.884 ( 4.750 -0.906 -2.269) 5.341 3.227 ( 12.629 3.291 2.862) 13.360 3.420 ( 0.470 -0.054 -7.737) 7.751 3.588 ( -6.025 25.173 -1.129) 25.909 3.789 ( -10.444 2.077 -1.586) 10.766 3.811 ( 5.077 7.996 1.050) 9.530 4.096 ( -9.107 1.440 -6.119) 11.065 4.166 ( -9.034 5.815 5.735) 12.179 4.661 ( 1.033 2.125 3.031) 3.843 4.980 ( 0.265 12.193 2.702) 12.492 5.065 ( 2.142 4.607 4.962) 7.102 5.115 ( -0.460 5.429 3.722) 6.598 5.310 ( 5.491 -7.852 12.544) 15.785 5.533 ( 0.624 -2.291 1.905) 3.044 5.577 ( -4.326 1.578 2.361) 5.174 5.786 ( -1.314 -6.464 -2.934) 7.219 6.057 ( -1.871 6.254 2.889) 7.138 6.264 ( 1.453 -5.073 5.135) 7.363 6.583 ( -2.434 0.050 9.940) 10.234 6.893 ( 1.619 1.588 11.130) 11.359 7.816 ( -2.239 -0.856 -6.925) 7.328 8.166 ( 2.134 -3.552 -1.332) 4.352 8.249 ( -3.847 -5.463 3.849) 7.711 8.883 ( -1.440 -7.598 -6.296) 9.972 9.059 ( 0.942 1.272 -4.286) 4.569 9.088 ( 0.863 -0.715 -2.664) 2.890 9.382 ( -1.312 -5.947 6.582) 8.968 9.787 ( 8.689 3.561 6.062) 11.177 10.041 ( 1.868 -0.660 -2.655) 3.313 11.249 ( 5.744 3.404 -20.386) 21.451 12.492 ( -0.671 -3.420 1.583) 3.828 12.784 ( 1.037 -5.577 -2.857) 6.352 13.612 ( 5.147 3.755 0.780) 6.419 13.677 ( 1.872 0.531 3.084) 3.647 13.889 ( 4.948 1.057 -3.073) 5.920 14.231 ( -3.269 -0.350 -0.148) 3.291 14.289 ( -14.095 -1.133 -5.592) 15.206 14.610 ( 1.406 1.089 -2.471) 3.045 14.816 ( -3.120 0.859 6.116) 6.919 15.922 ( 8.364 5.045 -11.172) 14.840 16.400 ( -3.119 -2.535 -0.418) 4.041 16.641 ( -4.556 -1.655 -4.866) 6.868 18.081 ( -0.103 0.230 13.158) 13.161 18.601 ( 0.864 -0.786 15.072) 15.117 18.671 ( -2.962 0.454 22.459) 22.658 19.103 ( 0.318 0.526 -0.295) 0.682 19.321 ( 7.042 -19.210 34.017) 39.696 19.651 ( 0.370 -1.050 1.400) 1.788 20.466 ( -3.845 0.037 -1.776) 4.236 20.572 ( 0.218 2.519 4.529) 5.187 20.888 ( 0.337 5.485 -1.406) 5.672 21.181 ( 2.338 -5.344 -1.441) 6.009 21.588 ( 0.504 -0.015 -4.850) 4.876 21.747 ( -3.900 -4.847 -7.474) 9.724 25.445 ( 1.084 -3.174 0.345) 3.371 25.588 ( 1.702 1.112 -2.896) 3.538 30.098 ( -1.064 4.502 1.035) 4.741 30.256 ( -0.788 4.863 -1.302) 5.095 38.054 ( -0.612 3.836 4.713) 6.107 38.744 ( -2.035 7.177 -3.374) 8.188 38.835 ( -1.898 1.182 5.139) 5.604 39.754 ( 8.171 -8.573 -0.419) 11.851 39.979 ( -6.875 -5.166 -2.929) 9.085 40.738 ( 14.016 0.953 -11.088) 17.897 41.080 ( -5.952 7.720 -6.919) 11.954 41.671 ( -8.565 13.341 -24.777) 29.415 ======================= Grid point 115 (42/80) ======================= q-point: (-0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 30.452 13.216) 33.196 1.713 ( 0.000 21.807 16.126) 27.122 2.175 ( 0.000 2.908 14.014) 14.313 2.300 ( 0.000 11.258 11.481) 16.080 2.414 ( -0.000 -17.406 4.904) 18.084 2.751 ( -0.000 -1.902 21.588) 21.672 2.816 ( 0.000 9.447 6.382) 11.400 3.124 ( 0.000 1.802 -2.344) 2.956 3.403 ( 0.000 6.379 -10.825) 12.565 3.452 ( -0.000 -2.247 -7.570) 7.897 3.674 ( -0.000 -3.953 2.931) 4.921 3.838 ( 0.000 6.532 -5.999) 8.868 3.899 ( -0.000 -1.041 0.910) 1.383 4.124 ( -0.000 -2.959 8.583) 9.079 4.597 ( 0.000 4.556 0.344) 4.569 4.708 ( 0.000 18.052 5.189) 18.783 4.955 ( 0.000 9.008 2.944) 9.477 4.999 ( 0.000 7.666 -4.430) 8.854 5.469 ( 0.000 4.479 -1.071) 4.605 5.513 ( -0.000 -5.287 17.025) 17.827 5.581 ( -0.000 -6.749 5.595) 8.767 5.915 ( 0.000 7.804 0.055) 7.805 5.934 ( -0.000 -8.670 -5.531) 10.284 6.387 ( -0.000 -7.717 4.934) 9.160 6.561 ( 0.000 0.519 13.449) 13.459 6.873 ( 0.000 0.836 12.225) 12.254 7.828 ( -0.000 -1.890 -6.655) 6.918 8.300 ( -0.000 -11.159 2.838) 11.514 8.313 ( -0.000 -4.109 3.843) 5.626 9.002 ( -0.000 -6.255 -6.970) 9.365 9.031 ( 0.000 2.620 -7.076) 7.545 9.143 ( -0.000 -4.626 -0.596) 4.665 9.462 ( -0.000 -4.364 6.459) 7.795 9.748 ( 0.000 7.997 5.244) 9.563 10.055 ( -0.000 -0.958 -3.491) 3.620 11.102 ( 0.000 22.067 -29.667) 36.974 12.551 ( -0.000 -3.768 2.210) 4.368 12.869 ( -0.000 -3.220 -2.748) 4.233 13.594 ( 0.000 2.465 1.702) 2.995 13.675 ( 0.000 0.304 4.046) 4.057 13.931 ( 0.000 2.229 -6.570) 6.938 14.127 ( -0.000 -0.795 -4.045) 4.122 14.255 ( -0.000 -0.723 1.314) 1.500 14.577 ( 0.000 3.815 -2.087) 4.349 14.784 ( 0.000 1.239 6.728) 6.841 15.888 ( 0.000 4.363 -10.332) 11.216 16.429 ( -0.000 -2.639 0.089) 2.641 16.649 ( -0.000 -2.497 -4.005) 4.720 18.075 ( 0.000 0.385 13.004) 13.010 18.631 ( -0.000 -1.420 12.985) 13.062 18.656 ( -0.000 -0.895 23.500) 23.517 19.090 ( 0.000 1.052 -1.424) 1.770 19.598 ( -0.000 -1.765 -3.205) 3.659 19.956 ( -0.000 -37.423 40.100) 54.850 20.446 ( -0.000 -0.626 -2.862) 2.930 20.546 ( -0.000 -0.699 6.940) 6.975 20.798 ( 0.000 4.616 -1.171) 4.763 21.262 ( -0.000 -3.338 -1.061) 3.503 21.573 ( 0.000 2.193 -4.359) 4.879 21.812 ( -0.000 -4.670 -7.468) 8.808 25.511 ( -0.000 -2.920 -0.386) 2.945 25.582 ( 0.000 0.585 -2.394) 2.464 30.015 ( 0.000 3.789 1.004) 3.920 30.167 ( 0.000 4.270 -1.260) 4.452 37.985 ( 0.000 3.222 4.314) 5.384 38.597 ( 0.000 6.932 -4.148) 8.078 38.810 ( 0.000 0.328 6.028) 6.037 39.936 ( 0.000 0.872 -9.067) 9.109 40.012 ( -0.000 -9.190 3.511) 9.838 40.766 ( 0.000 18.826 -13.588) 23.217 40.934 ( -0.000 -4.174 -10.329) 11.141 41.243 ( 0.000 25.450 -20.198) 32.491 ======================= Grid point 118 (43/80) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 21.473 -0.000 5.132) 22.078 1.857 ( -8.704 0.000 18.175) 20.152 2.002 ( 9.274 -0.000 25.519) 27.152 2.600 ( 1.152 -0.000 6.104) 6.212 2.790 ( -2.117 0.000 25.589) 25.676 2.937 ( 4.135 -0.000 0.482) 4.163 2.956 ( 34.941 -0.000 6.517) 35.544 3.239 ( -2.378 0.000 -6.355) 6.785 3.433 ( -0.612 0.000 -6.388) 6.417 3.682 ( 10.456 -0.000 0.060) 10.456 3.918 ( -6.802 0.000 -5.650) 8.842 4.297 ( 8.379 -0.000 6.071) 10.347 4.474 ( 15.513 -0.000 -0.784) 15.532 4.569 ( 15.395 -0.000 -0.380) 15.400 4.672 ( 13.451 -0.000 -0.774) 13.473 4.774 ( 7.121 -0.000 -1.229) 7.226 4.842 ( 9.658 -0.000 9.089) 13.262 5.072 ( 6.875 -0.000 4.917) 8.452 5.270 ( -4.434 0.000 11.833) 12.636 5.289 ( -5.316 0.000 -5.009) 7.304 5.874 ( -1.306 0.000 4.301) 4.495 5.910 ( 4.271 -0.000 -2.142) 4.778 5.937 ( -0.165 0.000 -7.834) 7.835 6.434 ( -2.699 0.000 15.037) 15.278 6.454 ( -1.738 0.000 1.171) 2.096 7.029 ( -0.733 0.000 16.398) 16.414 7.911 ( -9.089 0.000 -2.730) 9.490 8.141 ( -0.841 0.000 -5.400) 5.465 8.282 ( -14.265 0.000 -0.406) 14.270 8.774 ( -6.259 0.000 -12.235) 13.743 9.019 ( -5.620 0.000 10.341) 11.770 9.224 ( -1.207 0.000 2.232) 2.538 9.358 ( -0.401 0.000 2.598) 2.629 9.649 ( -1.087 0.000 7.124) 7.206 9.675 ( 12.286 -0.000 -2.966) 12.639 10.770 ( 9.367 -0.000 -6.810) 11.580 12.325 ( -9.367 0.000 1.648) 9.511 12.678 ( -10.008 0.000 -4.761) 11.083 13.618 ( 8.691 -0.000 -1.161) 8.768 13.629 ( 0.234 -0.000 0.920) 0.949 14.003 ( 2.743 -0.000 1.375) 3.069 14.245 ( -5.458 0.000 0.887) 5.530 14.349 ( 1.504 -0.000 -3.315) 3.640 14.682 ( -0.546 0.000 8.156) 8.174 14.862 ( -6.198 0.000 -12.368) 13.834 15.787 ( 13.328 -0.000 -13.400) 18.899 16.364 ( -4.592 0.000 0.832) 4.667 16.799 ( -2.617 0.000 -9.899) 10.239 18.090 ( 0.318 -0.000 14.077) 14.081 18.627 ( 0.078 -0.000 14.844) 14.844 18.829 ( 3.534 -0.000 27.080) 27.309 19.070 ( 0.150 -0.000 -2.623) 2.627 19.391 ( -25.399 0.000 35.464) 43.621 19.617 ( 0.498 -0.000 -3.838) 3.871 20.473 ( 1.067 -0.000 1.770) 2.067 20.586 ( 3.266 -0.000 3.109) 4.509 20.836 ( 3.813 -0.000 -1.363) 4.049 21.329 ( -2.008 0.000 -8.301) 8.540 21.445 ( -11.297 0.000 -1.948) 11.464 21.669 ( -5.720 0.000 -4.425) 7.232 25.401 ( -2.987 0.000 1.222) 3.227 25.619 ( 1.352 -0.000 -2.206) 2.587 30.240 ( 6.563 -0.000 0.776) 6.609 30.367 ( 7.566 -0.000 -1.044) 7.637 38.147 ( 6.977 -0.000 6.020) 9.215 38.859 ( 3.620 -0.000 3.216) 4.842 39.264 ( -5.842 0.000 -0.475) 5.862 39.366 ( -7.065 0.000 -8.452) 11.016 39.827 ( -7.609 0.000 -1.117) 7.691 40.512 ( 13.052 -0.000 -29.065) 31.861 41.355 ( 12.322 -0.000 -5.640) 13.552 41.470 ( 10.893 -0.000 -6.449) 12.659 ======================= Grid point 119 (44/80) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -6.518 -4.797 18.610) 20.294 2.052 ( 13.691 -1.780 4.738) 14.597 2.170 ( 13.099 -2.939 21.759) 25.567 2.540 ( -4.846 4.595 5.618) 8.727 2.743 ( -4.005 -0.759 22.685) 23.048 2.955 ( 11.608 5.327 1.691) 12.883 3.128 ( -0.429 7.259 0.719) 7.307 3.290 ( 3.828 4.006 -3.509) 6.559 3.506 ( 6.190 -4.662 -0.839) 7.794 3.739 ( 12.394 0.889 -3.070) 12.799 3.907 ( 0.185 -2.592 -4.025) 4.790 4.237 ( 5.798 13.441 1.445) 14.709 4.631 ( -0.708 8.842 6.399) 10.938 4.666 ( 15.017 -0.187 0.115) 15.019 4.719 ( 4.634 0.292 0.049) 4.643 4.928 ( 6.207 -0.570 3.047) 6.938 4.993 ( 7.781 -7.056 3.237) 10.991 5.111 ( -3.805 4.467 3.938) 7.067 5.235 ( 9.019 -3.735 3.369) 10.327 5.411 ( 2.631 -5.732 4.368) 7.672 5.781 ( -6.128 3.771 3.765) 8.121 5.826 ( 1.123 8.251 -3.215) 8.926 6.048 ( 3.032 -3.990 -2.873) 5.776 6.330 ( -1.551 5.232 9.240) 10.731 6.494 ( -1.782 -3.953 6.441) 7.765 6.992 ( 0.962 3.300 14.934) 15.325 7.845 ( -11.088 -7.589 -0.222) 13.439 8.077 ( -6.670 4.014 -3.606) 8.579 8.168 ( 0.252 0.458 -7.324) 7.343 8.665 ( -6.110 1.818 -8.929) 10.971 9.027 ( -1.229 -5.215 8.481) 10.031 9.204 ( -3.906 0.852 2.260) 4.593 9.322 ( -2.451 2.963 0.199) 3.850 9.658 ( 1.059 -2.774 10.037) 10.467 9.846 ( 12.597 -1.280 -3.935) 13.260 10.929 ( 4.243 -7.495 -8.726) 12.260 12.265 ( -6.668 -5.033 1.458) 8.480 12.571 ( -7.454 -1.001 -3.827) 8.439 13.639 ( 1.464 -0.019 1.338) 1.983 13.728 ( 12.043 2.256 -1.566) 12.352 13.997 ( 0.859 3.045 1.021) 3.324 14.189 ( -3.844 -0.913 1.397) 4.190 14.380 ( -2.896 -2.324 -4.641) 5.944 14.640 ( -1.842 2.973 1.857) 3.960 14.785 ( -9.007 -3.807 -1.233) 9.856 15.961 ( 15.811 1.752 -15.544) 22.241 16.325 ( -4.505 -1.941 0.330) 4.917 16.734 ( -6.178 1.136 -9.096) 11.054 18.090 ( 0.026 0.163 14.269) 14.269 18.622 ( 0.397 0.922 15.164) 15.197 18.848 ( 0.577 1.744 27.963) 28.023 19.060 ( -2.943 2.327 10.639) 11.281 19.118 ( -7.646 2.134 19.721) 21.258 19.628 ( 0.232 -0.544 -3.230) 3.284 20.499 ( -0.497 -1.830 1.478) 2.404 20.624 ( 2.236 -0.162 3.884) 4.485 20.881 ( 3.324 -0.425 -1.774) 3.792 21.218 ( -3.310 5.639 -4.574) 7.980 21.421 ( -4.417 -5.897 -5.817) 9.387 21.615 ( -6.709 -2.599 -5.607) 9.121 25.371 ( -1.894 -0.136 1.449) 2.389 25.627 ( 1.933 1.127 -2.631) 3.454 30.289 ( 4.475 2.359 1.016) 5.160 30.434 ( 5.233 1.838 -1.106) 5.656 38.209 ( 5.122 1.945 6.217) 8.287 38.908 ( 4.571 0.508 3.527) 5.796 39.117 ( -2.424 6.619 -2.405) 7.448 39.334 ( -8.054 -5.092 -0.910) 9.572 39.773 ( -6.342 -3.626 -2.585) 7.749 40.626 ( 6.865 0.550 -24.484) 25.434 41.440 ( 7.971 4.388 -5.067) 10.415 41.667 ( 5.603 -7.558 -10.542) 14.129 ======================= Grid point 120 (45/80) ======================= q-point: ( 0.57 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -2.197 -7.027 17.593) 19.072 2.141 ( 3.993 5.109 6.573) 9.233 2.283 ( 2.134 3.808 10.539) 11.407 2.482 ( 2.501 -4.698 14.798) 15.726 2.705 ( -4.482 -1.325 23.120) 23.588 2.954 ( 3.948 13.447 -0.812) 14.038 2.980 ( 2.053 11.310 -1.540) 11.598 3.244 ( 7.518 -0.607 -2.017) 7.807 3.536 ( 3.526 2.343 3.474) 5.476 3.909 ( 1.392 -0.171 -6.899) 7.041 3.967 ( 4.269 -1.644 -7.595) 8.867 4.034 ( -2.777 12.728 -1.001) 13.066 4.502 ( 1.099 6.799 9.467) 11.707 4.593 ( -3.194 16.147 -2.018) 16.583 4.773 ( 10.505 7.098 -4.575) 13.479 4.981 ( 3.956 -2.178 3.773) 5.884 5.087 ( 0.781 -3.794 8.118) 8.995 5.146 ( -2.812 -3.759 5.624) 7.326 5.315 ( 3.516 2.730 2.727) 5.221 5.477 ( 4.305 0.738 6.542) 7.866 5.659 ( -8.047 0.320 4.205) 9.085 5.700 ( 0.789 6.179 -0.711) 6.270 6.131 ( 1.457 -2.880 0.843) 3.336 6.233 ( -0.904 4.535 6.898) 8.304 6.532 ( -1.979 -3.199 6.383) 7.409 6.960 ( 1.972 2.677 13.370) 13.777 7.855 ( -5.405 -2.659 -3.555) 6.994 7.989 ( -4.706 -4.075 0.379) 6.237 8.167 ( 1.859 1.519 -6.663) 7.082 8.623 ( -3.747 -4.505 -6.512) 8.761 9.109 ( 1.312 -0.916 0.465) 1.667 9.157 ( -2.182 -3.108 4.871) 6.176 9.203 ( -2.663 5.031 -0.049) 5.693 9.762 ( 2.954 -5.103 10.310) 11.877 10.003 ( 8.263 -1.146 -4.809) 9.629 11.095 ( 0.675 -8.269 -11.726) 14.364 12.326 ( -2.413 -7.415 1.369) 7.917 12.558 ( -2.710 -5.038 -2.688) 6.321 13.660 ( 1.712 -0.068 2.460) 2.998 13.809 ( 9.001 5.471 -0.383) 10.540 13.958 ( 4.611 2.681 -1.750) 5.614 14.180 ( -1.924 -1.967 1.780) 3.277 14.294 ( -13.343 0.708 -6.325) 14.783 14.601 ( -0.012 -0.575 -3.016) 3.070 14.776 ( -3.175 -2.923 7.241) 8.429 16.086 ( 11.934 3.856 -15.485) 19.927 16.313 ( -4.011 -2.318 -0.677) 4.682 16.631 ( -6.349 0.894 -6.150) 8.884 18.086 ( -0.071 0.175 14.069) 14.070 18.609 ( 0.516 1.091 15.412) 15.459 18.759 ( -3.607 4.317 25.539) 26.152 19.010 ( 1.589 -1.168 30.498) 30.561 19.104 ( -0.210 -0.767 0.298) 0.849 19.638 ( 0.026 -0.423 -2.594) 2.629 20.493 ( -2.219 0.729 -0.444) 2.377 20.637 ( 0.886 0.948 4.354) 4.544 20.960 ( 4.301 -3.738 -1.325) 5.850 21.104 ( -2.342 3.979 -2.349) 5.180 21.491 ( 0.394 -4.911 -7.242) 8.759 21.594 ( -6.208 -3.993 -6.463) 9.811 25.366 ( -0.530 -1.195 1.373) 1.896 25.630 ( 1.700 1.171 -3.031) 3.667 30.266 ( 1.645 4.574 1.104) 4.984 30.425 ( 2.004 4.273 -1.222) 4.875 38.198 ( 1.956 4.107 5.800) 7.371 38.916 ( 1.856 3.667 4.986) 6.461 38.993 ( -1.373 5.687 -3.178) 6.658 39.400 ( -1.217 -9.982 2.107) 10.274 39.790 ( -4.041 -5.320 -4.447) 8.026 40.695 ( 4.822 -1.067 -19.814) 20.421 41.396 ( 2.656 8.314 -4.946) 10.032 41.794 ( -0.694 -3.373 -13.553) 13.984 ======================= Grid point 121 (46/80) ======================= q-point: (-0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -0.000 -4.179 19.539) 19.981 2.053 ( 0.000 1.950 8.277) 8.504 2.240 ( 0.000 4.128 6.380) 7.599 2.531 ( 0.000 12.222 12.822) 17.714 2.662 ( 0.000 4.753 17.459) 18.094 2.685 ( 0.000 7.728 10.778) 13.262 2.886 ( -0.000 -0.118 -3.681) 3.683 3.378 ( -0.000 -4.366 -4.988) 6.629 3.531 ( 0.000 6.702 1.402) 6.847 3.718 ( 0.000 14.212 -3.805) 14.713 3.878 ( 0.000 3.884 -2.139) 4.435 4.021 ( -0.000 -2.996 -9.416) 9.881 4.158 ( 0.000 28.194 -1.224) 28.221 4.322 ( 0.000 14.849 2.939) 15.138 4.729 ( 0.000 4.191 1.762) 4.546 5.084 ( -0.000 -2.557 1.363) 2.898 5.129 ( -0.000 -0.617 10.612) 10.630 5.141 ( 0.000 1.625 10.408) 10.535 5.284 ( 0.000 1.433 2.614) 2.981 5.532 ( -0.000 -0.300 2.673) 2.690 5.580 ( 0.000 1.861 5.238) 5.559 5.657 ( -0.000 -3.562 -0.899) 3.674 6.146 ( 0.000 5.063 5.228) 7.277 6.196 ( -0.000 -3.772 3.739) 5.311 6.558 ( -0.000 -1.306 7.542) 7.654 6.935 ( 0.000 1.908 11.666) 11.821 7.811 ( 0.000 1.945 -6.847) 7.118 8.090 ( -0.000 -9.007 4.008) 9.858 8.159 ( 0.000 0.576 -3.860) 3.902 8.719 ( -0.000 -8.713 -6.251) 10.723 9.090 ( 0.000 2.337 -2.187) 3.201 9.112 ( 0.000 1.982 -3.495) 4.018 9.263 ( -0.000 -6.860 7.320) 10.032 9.856 ( -0.000 -2.192 8.990) 9.253 10.055 ( 0.000 0.553 -5.051) 5.081 11.235 ( -0.000 -6.756 -16.302) 17.647 12.419 ( -0.000 -4.679 1.686) 4.974 12.664 ( -0.000 -8.059 -2.437) 8.419 13.676 ( -0.000 -0.199 3.555) 3.560 13.743 ( 0.000 6.077 0.566) 6.103 14.016 ( 0.000 2.600 -6.205) 6.727 14.125 ( 0.000 0.881 -4.856) 4.936 14.207 ( -0.000 -2.249 1.970) 2.990 14.621 ( -0.000 -0.740 -3.055) 3.143 14.793 ( -0.000 -1.223 8.188) 8.279 16.083 ( 0.000 5.954 -15.406) 16.516 16.324 ( -0.000 -2.944 0.530) 2.991 16.587 ( -0.000 -0.701 -4.200) 4.258 18.083 ( 0.000 0.132 13.552) 13.553 18.601 ( 0.000 0.160 14.866) 14.867 18.675 ( 0.000 2.512 23.803) 23.935 19.110 ( -0.000 -0.057 -0.100) 0.115 19.112 ( -0.000 -9.239 33.568) 34.817 19.644 ( -0.000 -0.256 -1.617) 1.638 20.453 ( 0.000 1.281 -2.253) 2.592 20.616 ( 0.000 2.092 4.641) 5.090 20.992 ( 0.000 5.772 -1.619) 5.994 21.098 ( -0.000 -6.192 -0.494) 6.212 21.586 ( -0.000 -1.888 -4.871) 5.225 21.610 ( -0.000 -6.037 -9.176) 10.984 25.398 ( -0.000 -2.651 0.918) 2.805 25.621 ( 0.000 1.258 -3.242) 3.477 30.184 ( 0.000 5.559 1.102) 5.667 30.347 ( 0.000 5.623 -1.308) 5.773 38.129 ( 0.000 4.826 5.228) 7.115 38.860 ( 0.000 3.103 6.434) 7.143 38.871 ( 0.000 7.623 -4.241) 8.723 39.609 ( -0.000 -13.070 3.418) 13.509 39.848 ( -0.000 -4.587 -6.214) 7.724 40.777 ( -0.000 -3.964 -16.510) 16.980 41.232 ( 0.000 11.703 -5.342) 12.864 41.776 ( 0.000 4.308 -17.568) 18.089 ======================= Grid point 126 (47/80) ======================= q-point: ( 0.43 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -4.157 0.000 21.641) 22.037 2.229 ( 14.670 -0.000 3.184) 15.012 2.295 ( 12.306 -0.000 21.571) 24.834 2.518 ( -8.319 0.000 6.334) 10.456 2.626 ( -9.971 0.000 20.739) 23.012 3.083 ( 5.270 -0.000 -1.484) 5.475 3.181 ( -0.851 0.000 7.971) 8.016 3.461 ( 5.169 -0.000 -4.005) 6.539 3.493 ( 7.743 -0.000 -1.227) 7.840 3.691 ( -10.746 0.000 -1.922) 10.917 4.050 ( 15.678 -0.000 -2.591) 15.890 4.436 ( 0.741 -0.000 -2.227) 2.347 4.660 ( 1.816 -0.000 0.309) 1.842 4.743 ( 0.189 -0.000 -0.063) 0.200 4.859 ( 5.477 -0.000 9.852) 11.272 4.895 ( -0.980 0.000 4.583) 4.687 5.003 ( 4.778 -0.000 2.471) 5.379 5.152 ( -2.001 0.000 -8.336) 8.572 5.339 ( 8.522 -0.000 10.259) 13.337 5.457 ( 13.201 -0.000 1.175) 13.253 5.731 ( -7.571 0.000 10.740) 13.140 5.981 ( 1.090 -0.000 -8.506) 8.575 5.997 ( 2.430 -0.000 -1.639) 2.930 6.385 ( -1.210 0.000 15.803) 15.850 6.421 ( -0.864 0.000 1.233) 1.506 7.030 ( 0.528 -0.000 14.709) 14.719 7.636 ( -8.555 0.000 1.259) 8.647 8.019 ( -6.321 0.000 -5.047) 8.089 8.193 ( 2.125 -0.000 -10.003) 10.227 8.641 ( -3.659 0.000 -12.641) 13.160 8.943 ( -0.971 0.000 15.501) 15.531 9.204 ( -0.222 0.000 2.186) 2.197 9.313 ( -2.267 0.000 0.955) 2.460 9.634 ( -0.012 0.000 9.325) 9.325 9.966 ( 7.941 -0.000 -4.017) 8.899 10.904 ( 2.348 -0.000 -8.578) 8.893 12.143 ( -4.508 0.000 1.532) 4.761 12.482 ( -4.712 0.000 -3.996) 6.179 13.658 ( 1.582 -0.000 2.344) 2.828 13.917 ( 15.018 -0.000 -2.205) 15.179 14.026 ( -1.037 0.000 0.900) 1.373 14.143 ( -1.654 0.000 1.304) 2.107 14.296 ( -9.508 0.000 -5.332) 10.901 14.610 ( -6.737 0.000 -5.692) 8.819 14.689 ( 0.596 -0.000 9.091) 9.111 16.161 ( 12.962 -0.000 -19.821) 23.683 16.261 ( -2.860 0.000 1.150) 3.082 16.656 ( -7.469 0.000 -7.679) 10.713 18.092 ( -0.051 0.000 14.627) 14.627 18.637 ( 0.501 -0.000 15.167) 15.175 18.866 ( -1.311 0.000 30.818) 30.846 19.043 ( -4.230 0.000 30.969) 31.256 19.073 ( 0.075 -0.000 -2.504) 2.506 19.627 ( 0.235 -0.000 -3.611) 3.619 20.476 ( -0.373 0.000 1.111) 1.172 20.647 ( 1.449 -0.000 4.621) 4.843 20.915 ( 2.223 -0.000 -1.818) 2.872 21.207 ( -6.412 0.000 -2.085) 6.742 21.360 ( 4.287 -0.000 -8.606) 9.615 21.506 ( -7.013 0.000 -6.658) 9.670 25.351 ( -1.043 0.000 1.780) 2.063 25.654 ( 1.045 -0.000 -2.992) 3.169 30.356 ( 2.583 -0.000 1.080) 2.800 30.504 ( 3.098 -0.000 -1.080) 3.281 38.283 ( 3.320 -0.000 6.749) 7.521 38.977 ( 6.115 -0.000 1.719) 6.352 39.157 ( -8.550 0.000 -1.688) 8.715 39.172 ( -1.595 0.000 2.577) 3.031 39.674 ( -4.010 0.000 -3.467) 5.301 40.689 ( 2.816 -0.000 -27.221) 27.367 41.571 ( 4.727 -0.000 -5.670) 7.382 41.662 ( 4.263 -0.000 -6.289) 7.598 ======================= Grid point 127 (48/80) ======================= q-point: (-0.43 -0.57 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -0.000 -6.462 20.481) 21.476 2.327 ( 0.000 7.464 9.855) 12.363 2.338 ( 0.000 3.427 3.211) 4.696 2.444 ( -0.000 -3.146 20.366) 20.607 2.584 ( -0.000 -4.967 17.341) 18.038 3.088 ( 0.000 4.812 3.290) 5.829 3.203 ( -0.000 -4.271 0.681) 4.325 3.308 ( 0.000 15.747 -1.535) 15.821 3.570 ( 0.000 0.401 3.539) 3.562 3.733 ( -0.000 -11.187 -5.543) 12.485 4.114 ( 0.000 5.433 -3.773) 6.615 4.293 ( 0.000 13.626 -4.195) 14.257 4.611 ( 0.000 4.725 7.497) 8.862 4.717 ( 0.000 3.907 -2.490) 4.633 4.949 ( -0.000 -3.335 5.299) 6.261 4.985 ( -0.000 -9.776 6.981) 12.013 5.045 ( -0.000 -1.602 3.053) 3.447 5.046 ( 0.000 9.724 -9.188) 13.379 5.402 ( 0.000 2.184 5.884) 6.276 5.532 ( 0.000 0.019 2.899) 2.899 5.626 ( 0.000 4.500 13.065) 13.819 5.856 ( 0.000 9.204 -4.421) 10.210 6.089 ( -0.000 -3.624 -2.378) 4.334 6.311 ( 0.000 4.990 9.600) 10.819 6.463 ( -0.000 -3.334 5.707) 6.610 7.015 ( 0.000 2.013 14.401) 14.541 7.666 ( -0.000 -8.905 1.715) 9.069 7.973 ( 0.000 1.033 -5.354) 5.453 8.200 ( 0.000 0.792 -9.252) 9.286 8.580 ( 0.000 2.131 -8.955) 9.205 9.012 ( -0.000 -7.009 12.093) 13.978 9.162 ( 0.000 3.158 0.522) 3.201 9.280 ( 0.000 3.484 -0.337) 3.500 9.677 ( -0.000 -5.027 10.525) 11.664 10.034 ( -0.000 -1.683 -4.595) 4.894 10.971 ( -0.000 -5.797 -9.761) 11.352 12.176 ( -0.000 -6.641 1.526) 6.814 12.474 ( -0.000 -2.484 -3.413) 4.221 13.670 ( -0.000 -0.089 3.019) 3.020 13.960 ( 0.000 5.350 0.503) 5.374 14.076 ( 0.000 0.075 -1.522) 1.524 14.142 ( -0.000 -0.961 1.121) 1.477 14.166 ( 0.000 0.931 -6.662) 6.726 14.581 ( -0.000 -0.879 -4.524) 4.609 14.715 ( -0.000 -2.269 9.116) 9.395 16.233 ( 0.000 2.310 -21.621) 21.744 16.253 ( -0.000 -1.095 1.113) 1.561 16.593 ( 0.000 0.535 -4.860) 4.889 18.089 ( 0.000 0.188 14.563) 14.564 18.632 ( 0.000 0.934 15.261) 15.290 18.812 ( 0.000 4.122 28.423) 28.720 19.015 ( 0.000 0.564 30.652) 30.657 19.086 ( -0.000 -1.146 -0.982) 1.509 19.631 ( -0.000 -0.357 -3.278) 3.297 20.483 ( -0.000 -0.618 0.457) 0.769 20.654 ( 0.000 0.312 4.692) 4.702 20.935 ( -0.000 -1.389 -1.726) 2.215 21.143 ( 0.000 2.548 -2.038) 3.263 21.447 ( -0.000 -2.861 -9.169) 9.605 21.465 ( -0.000 -3.780 -6.043) 7.128 25.348 ( -0.000 -0.463 1.762) 1.822 25.655 ( 0.000 0.594 -3.130) 3.186 30.345 ( 0.000 2.982 1.118) 3.184 30.500 ( 0.000 2.620 -1.136) 2.856 38.277 ( 0.000 2.981 6.487) 7.139 39.012 ( 0.000 4.353 3.685) 5.703 39.044 ( 0.000 2.341 -2.338) 3.309 39.229 ( -0.000 -7.235 2.972) 7.822 39.685 ( -0.000 -3.828 -4.418) 5.846 40.707 ( -0.000 -0.371 -25.068) 25.070 41.541 ( 0.000 5.822 -5.084) 7.730 41.733 ( -0.000 -3.804 -8.142) 8.987 ======================= Grid point 153 (49/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 0.000 25.559) 25.559 1.352 ( 0.000 0.000 24.451) 24.451 2.339 ( 0.000 0.000 14.966) 14.966 2.625 ( 0.000 0.000 -14.265) 14.265 2.723 ( 0.000 0.000 1.322) 1.322 2.785 ( 0.000 0.000 5.239) 5.239 2.941 ( 0.000 0.000 -4.260) 4.260 3.176 ( 0.000 0.000 15.473) 15.473 3.250 ( 0.000 0.000 -1.796) 1.796 3.349 ( 0.000 0.000 -5.793) 5.793 3.781 ( 0.000 0.000 5.736) 5.736 3.842 ( 0.000 0.000 4.318) 4.318 4.034 ( 0.000 0.000 -0.316) 0.316 4.337 ( 0.000 0.000 4.007) 4.007 4.387 ( 0.000 0.000 -4.494) 4.494 4.454 ( 0.000 0.000 9.488) 9.488 4.644 ( 0.000 0.000 -8.159) 8.159 4.678 ( 0.000 0.000 -2.969) 2.969 5.337 ( 0.000 0.000 0.938) 0.938 5.651 ( 0.000 0.000 3.877) 3.877 5.669 ( 0.000 0.000 -5.488) 5.488 5.950 ( 0.000 0.000 -3.910) 3.910 6.084 ( 0.000 0.000 11.035) 11.035 6.513 ( 0.000 0.000 -1.415) 1.415 6.878 ( 0.000 0.000 17.480) 17.480 7.411 ( 0.000 0.000 20.067) 20.067 7.707 ( 0.000 0.000 -9.505) 9.505 8.474 ( 0.000 0.000 5.425) 5.425 8.668 ( 0.000 0.000 -17.519) 17.519 8.947 ( 0.000 0.000 -9.153) 9.153 9.209 ( 0.000 0.000 2.523) 2.523 9.237 ( 0.000 0.000 4.547) 4.547 9.437 ( 0.000 0.000 0.063) 0.063 9.668 ( 0.000 0.000 7.130) 7.130 9.740 ( 0.000 0.000 -6.767) 6.767 10.022 ( 0.000 0.000 -3.968) 3.968 12.681 ( 0.000 0.000 2.787) 2.787 12.865 ( 0.000 0.000 -2.823) 2.823 13.632 ( 0.000 0.000 4.202) 4.202 13.754 ( 0.000 0.000 4.803) 4.803 13.850 ( 0.000 0.000 -2.281) 2.281 14.054 ( 0.000 0.000 -5.088) 5.088 14.320 ( 0.000 0.000 -1.289) 1.289 14.339 ( 0.000 0.000 -2.260) 2.260 14.945 ( 0.000 0.000 10.547) 10.547 15.624 ( 0.000 0.000 -10.986) 10.986 16.487 ( 0.000 0.000 0.890) 0.890 16.626 ( 0.000 0.000 -3.763) 3.763 18.340 ( 0.000 0.000 14.420) 14.420 18.916 ( 0.000 0.000 13.411) 13.411 18.982 ( 0.000 0.000 -5.845) 5.845 19.205 ( 0.000 0.000 27.817) 27.817 19.504 ( 0.000 0.000 -5.910) 5.910 20.364 ( 0.000 0.000 -7.933) 7.933 20.509 ( 0.000 0.000 4.683) 4.683 20.674 ( 0.000 0.000 -1.599) 1.599 21.304 ( 0.000 0.000 -1.088) 1.088 21.414 ( 0.000 0.000 -4.968) 4.968 21.561 ( 0.000 0.000 1.424) 1.424 21.716 ( 0.000 0.000 -3.560) 3.560 25.535 ( 0.000 0.000 0.635) 0.635 25.590 ( 0.000 0.000 -1.064) 1.064 29.970 ( 0.000 0.000 1.340) 1.340 30.062 ( 0.000 0.000 -1.508) 1.508 38.021 ( 0.000 0.000 5.518) 5.518 38.382 ( 0.000 0.000 -5.326) 5.326 38.922 ( 0.000 0.000 6.726) 6.726 39.377 ( 0.000 0.000 -7.095) 7.095 40.232 ( 0.000 0.000 6.708) 6.708 40.271 ( 0.000 0.000 6.249) 6.249 40.714 ( 0.000 0.000 -7.978) 7.978 40.822 ( 0.000 0.000 -10.524) 10.524 ======================= Grid point 154 (50/80) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 2.678 -11.556 20.127) 23.363 1.709 ( 19.622 -18.769 16.086) 31.560 2.395 ( -0.265 -4.664 10.157) 11.180 2.546 ( -1.925 8.278 3.352) 9.136 2.640 ( 1.612 2.710 -6.777) 7.475 2.873 ( -1.265 -2.894 9.919) 10.410 2.963 ( 0.998 -1.885 -4.040) 4.569 3.175 ( 6.988 3.449 12.877) 15.051 3.208 ( 4.387 3.765 -8.084) 9.938 3.414 ( 13.650 3.731 -3.584) 14.598 3.663 ( -9.226 0.537 6.081) 11.063 3.944 ( 1.625 6.647 0.137) 6.845 3.978 ( 11.183 -0.332 3.037) 11.592 4.399 ( 6.054 4.234 -1.035) 7.460 4.486 ( -0.093 -12.626 3.781) 13.181 4.528 ( 4.106 -8.678 4.855) 10.758 4.710 ( -1.205 -9.453 -4.325) 10.465 4.848 ( 7.429 -9.450 -2.214) 12.222 5.399 ( 2.549 -4.768 1.387) 5.582 5.615 ( -4.725 -1.076 2.941) 5.668 5.743 ( 1.701 -4.689 -4.369) 6.631 5.894 ( -2.354 3.349 -4.051) 5.759 6.044 ( -0.256 4.616 12.828) 13.636 6.498 ( -1.039 1.819 -1.067) 2.351 6.860 ( -2.040 0.781 17.358) 17.495 7.306 ( 0.906 9.500 20.117) 22.266 7.707 ( 1.577 1.173 -9.837) 10.031 8.440 ( -2.944 1.724 4.741) 5.841 8.495 ( -3.579 15.981 -12.315) 20.490 8.847 ( -8.968 1.069 -5.882) 10.777 9.014 ( 4.604 5.739 1.471) 7.503 9.230 ( 0.883 6.554 -1.331) 6.746 9.587 ( -5.528 -9.765 2.411) 11.477 9.672 ( -0.472 -1.202 6.622) 6.746 9.907 ( -8.309 -12.242 -4.652) 15.509 10.251 ( 13.795 -17.153 -10.960) 24.590 12.638 ( -3.305 2.078 2.808) 4.808 12.835 ( -2.923 1.557 -3.323) 4.691 13.590 ( -4.793 0.051 3.204) 5.766 13.719 ( -4.497 0.105 1.619) 4.780 13.875 ( 4.816 1.430 0.597) 5.059 14.148 ( 12.681 0.904 -6.713) 14.376 14.287 ( 1.284 -0.023 0.653) 1.441 14.420 ( -1.104 -5.837 -3.188) 6.742 14.938 ( -1.332 -0.505 10.303) 10.401 15.607 ( -3.915 -0.942 -10.898) 11.618 16.472 ( -0.323 1.179 0.902) 1.519 16.621 ( 1.660 1.543 -4.192) 4.766 18.345 ( 0.469 -0.159 14.363) 14.371 18.910 ( -0.140 0.587 13.659) 13.672 18.974 ( 0.265 0.900 -4.437) 4.535 19.229 ( 2.268 -0.848 26.453) 26.564 19.506 ( 0.324 -0.067 -5.870) 5.879 20.365 ( 0.840 1.224 -7.037) 7.192 20.530 ( 1.689 -0.739 5.027) 5.354 20.703 ( 0.705 -2.356 -1.154) 2.716 20.996 ( -26.187 14.292 11.004) 31.798 21.350 ( -4.574 5.266 -3.765) 7.926 21.490 ( 7.920 5.317 -0.939) 9.585 21.730 ( 0.010 1.458 -6.280) 6.447 25.517 ( -1.659 0.791 0.350) 1.871 25.568 ( -0.698 1.778 -1.109) 2.209 30.013 ( 3.989 -1.617 1.252) 4.482 30.104 ( 3.533 -1.960 -1.523) 4.318 38.058 ( 3.207 -1.728 5.977) 7.000 38.488 ( 11.817 -0.849 -7.583) 14.067 38.936 ( 0.638 -1.007 6.892) 6.994 39.506 ( -2.356 -12.343 -12.627) 17.814 40.189 ( -5.884 2.178 5.082) 8.074 40.273 ( -7.780 -9.350 2.742) 12.468 40.816 ( 7.649 -3.058 -6.879) 10.732 40.886 ( 11.903 -1.367 -9.946) 15.572 ======================= Grid point 155 (51/80) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 4.726 -17.578 10.523) 21.025 2.161 ( 8.406 -10.834 8.674) 16.226 2.346 ( -2.227 5.265 2.234) 6.138 2.497 ( -1.695 -1.054 2.664) 3.329 2.583 ( 2.992 3.185 7.426) 8.616 2.832 ( 2.742 7.542 0.011) 8.025 3.028 ( 0.301 6.457 1.841) 6.721 3.215 ( -0.877 1.055 1.371) 1.939 3.307 ( 12.691 -12.619 5.150) 18.623 3.450 ( 2.605 0.303 5.843) 6.404 3.728 ( 9.279 -2.837 -0.169) 9.704 3.840 ( 1.325 3.000 -3.261) 4.625 4.148 ( 13.745 -0.126 1.083) 13.788 4.423 ( 11.556 6.242 -1.542) 13.225 4.683 ( 2.594 -7.137 5.687) 9.487 4.782 ( 1.505 -15.766 3.096) 16.138 4.888 ( -0.468 -11.554 -0.211) 11.565 5.099 ( 5.027 -9.025 2.018) 10.526 5.515 ( 1.831 -3.455 3.519) 5.261 5.577 ( -4.345 -0.921 3.089) 5.410 5.721 ( -4.321 3.885 -1.562) 6.017 5.921 ( 0.090 6.926 10.500) 12.578 5.950 ( 3.732 -6.356 -1.878) 7.605 6.408 ( -2.140 5.778 0.938) 6.232 6.826 ( -1.565 -0.378 14.901) 14.988 7.194 ( 1.106 5.088 17.439) 18.200 7.704 ( 2.653 2.276 -10.884) 11.432 8.170 ( -5.571 12.141 -8.898) 16.051 8.399 ( -2.313 -0.676 4.691) 5.274 8.760 ( -6.329 -1.653 -7.894) 10.252 9.012 ( 4.304 1.886 0.394) 4.716 9.146 ( 3.070 6.492 -1.412) 7.319 9.565 ( -4.629 2.104 3.274) 6.048 9.673 ( -8.441 -3.326 2.187) 9.333 9.993 ( -1.772 -5.486 4.005) 7.020 10.665 ( 4.785 -14.744 -15.433) 21.874 12.558 ( -3.480 1.596 2.206) 4.418 12.750 ( -4.700 2.259 -3.665) 6.374 13.542 ( -3.353 -0.452 1.931) 3.896 13.658 ( -3.721 0.736 -0.659) 3.850 13.917 ( 4.881 0.606 3.303) 5.924 14.232 ( 3.239 -0.632 -3.224) 4.614 14.367 ( 8.788 1.572 -3.892) 9.739 14.487 ( -1.040 -3.433 -3.414) 4.952 14.953 ( 0.451 -2.372 8.577) 8.910 15.568 ( -5.737 -1.733 -10.344) 11.954 16.452 ( 0.307 0.968 0.624) 1.192 16.617 ( 2.292 1.706 -5.098) 5.844 18.353 ( 0.466 -0.092 14.258) 14.266 18.896 ( -0.089 0.746 13.933) 13.954 18.965 ( 0.701 0.744 -2.838) 3.017 19.280 ( 3.356 -1.046 23.620) 23.881 19.513 ( 0.800 0.355 -3.554) 3.660 20.174 ( -16.496 15.157 16.953) 28.094 20.517 ( 2.479 2.437 1.591) 3.823 20.627 ( -2.131 -1.379 6.041) 6.552 20.783 ( 1.007 -3.178 -1.845) 3.810 21.162 ( -8.755 6.601 -5.713) 12.364 21.514 ( 3.235 0.604 -3.083) 4.509 21.693 ( 0.570 2.347 -7.224) 7.617 25.470 ( -2.368 1.590 0.466) 2.890 25.529 ( -0.792 1.328 -1.545) 2.186 30.098 ( 4.339 -1.795 1.335) 4.882 30.193 ( 4.155 -2.256 -1.580) 4.985 38.138 ( 3.856 -1.933 6.768) 8.026 38.631 ( 9.360 -0.474 -7.726) 12.146 38.964 ( 0.559 -1.270 7.468) 7.596 39.585 ( -6.642 -2.629 -10.402) 12.619 40.113 ( -1.742 0.831 2.814) 3.413 40.324 ( -9.738 -7.997 -5.168) 13.619 40.968 ( 9.324 -2.270 -5.333) 10.979 41.152 ( 12.546 -9.236 -15.081) 21.683 ======================= Grid point 156 (52/80) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.656 -7.619 2.128) 7.937 2.307 ( -1.638 -5.292 7.637) 9.434 2.313 ( 1.468 -1.447 2.558) 3.285 2.489 ( 7.939 4.234 2.338) 9.296 2.588 ( -0.918 -1.305 1.259) 2.033 2.795 ( -5.770 11.115 9.096) 15.478 2.872 ( 5.302 -6.499 4.444) 9.492 3.085 ( -4.264 8.682 3.577) 10.313 3.482 ( 6.119 -1.987 5.355) 8.371 3.599 ( -3.357 1.962 2.222) 4.478 3.868 ( 3.688 -14.711 -4.679) 15.871 3.959 ( 7.643 -0.262 -5.055) 9.167 4.268 ( 7.465 2.045 0.221) 7.743 4.431 ( 3.515 3.840 -3.371) 6.202 4.768 ( -0.560 -1.729 10.965) 11.115 5.009 ( 0.728 -4.361 5.656) 7.179 5.105 ( 4.364 -12.063 -0.931) 12.862 5.244 ( 0.895 -3.249 3.168) 4.625 5.484 ( -3.898 3.377 12.214) 13.258 5.554 ( -0.748 1.587 5.867) 6.124 5.620 ( -0.483 2.808 1.790) 3.364 5.845 ( 0.656 1.195 3.480) 3.737 6.128 ( 2.604 -7.954 -2.519) 8.740 6.277 ( -1.900 6.500 0.281) 6.778 6.832 ( -0.049 -0.702 12.248) 12.268 7.138 ( -0.274 1.906 15.755) 15.872 7.697 ( 1.859 1.583 -12.344) 12.583 7.973 ( -3.283 3.843 -8.942) 10.272 8.415 ( -0.085 -1.741 4.900) 5.201 8.753 ( -2.091 -2.695 -6.515) 7.354 9.038 ( 3.071 0.847 -0.294) 3.199 9.073 ( 1.718 4.717 -1.011) 5.121 9.457 ( -3.952 2.321 2.967) 5.459 9.615 ( -4.477 -0.644 -0.942) 4.620 10.037 ( -1.143 -1.881 9.862) 10.105 10.863 ( 1.270 -4.544 -15.122) 15.841 12.513 ( -1.240 0.371 1.435) 1.933 12.672 ( -2.390 0.973 -3.480) 4.332 13.523 ( -1.143 -0.362 1.165) 1.672 13.615 ( -1.345 0.457 -1.122) 1.810 13.960 ( 2.139 -0.064 4.445) 4.933 14.288 ( 1.127 -2.560 0.321) 2.816 14.379 ( 1.589 3.329 -6.243) 7.252 14.518 ( 0.460 -0.586 -3.680) 3.755 15.011 ( 1.511 -1.590 5.505) 5.925 15.538 ( -2.908 -1.034 -9.504) 9.993 16.447 ( 0.357 0.258 0.077) 0.447 16.617 ( 1.043 0.737 -5.685) 5.827 18.358 ( 0.177 -0.012 14.198) 14.199 18.885 ( -0.027 0.352 13.833) 13.837 18.966 ( 0.506 0.121 -2.650) 2.701 19.352 ( 3.778 -2.204 15.326) 15.938 19.494 ( -0.781 2.601 13.152) 13.429 19.782 ( -9.136 6.638 20.148) 23.097 20.577 ( 5.376 -0.879 -2.052) 5.821 20.649 ( -0.605 -1.030 4.614) 4.766 20.846 ( -0.123 -3.599 -3.129) 4.770 20.952 ( -5.848 5.874 -7.505) 11.181 21.537 ( 1.067 -0.013 -3.755) 3.903 21.672 ( 0.226 0.772 -7.224) 7.269 25.424 ( -1.040 0.844 0.884) 1.605 25.507 ( -0.412 0.383 -2.008) 2.085 30.161 ( 1.811 -0.784 1.408) 2.424 30.261 ( 1.766 -0.942 -1.630) 2.581 38.198 ( 1.630 -0.764 7.262) 7.482 38.724 ( 3.753 -0.521 -8.301) 9.125 38.988 ( 0.209 -0.743 8.610) 8.644 39.512 ( -3.982 0.857 -5.313) 6.694 40.100 ( -0.173 0.005 1.472) 1.482 40.322 ( -3.523 -2.036 -6.888) 8.000 41.082 ( 3.573 -1.123 -4.443) 5.811 41.397 ( 4.860 -4.676 -20.382) 21.469 ======================= Grid point 161 (53/80) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 15.504 -0.000 19.565) 24.963 1.812 ( 26.913 -0.000 13.726) 30.212 2.367 ( 0.430 -0.000 11.642) 11.650 2.586 ( 0.505 -0.000 -6.173) 6.194 2.724 ( 3.260 -0.000 15.205) 15.551 2.863 ( 4.271 -0.000 2.131) 4.773 2.928 ( 0.466 -0.000 -10.634) 10.644 3.278 ( 1.128 -0.000 -7.545) 7.629 3.312 ( 7.601 -0.000 20.088) 21.478 3.609 ( -0.974 0.000 5.559) 5.643 3.716 ( 22.546 -0.000 -1.815) 22.619 4.034 ( 2.365 -0.000 -4.257) 4.870 4.135 ( 15.099 -0.000 3.087) 15.412 4.340 ( 1.324 -0.000 4.785) 4.965 4.402 ( 3.106 -0.000 -3.287) 4.522 4.623 ( 2.786 -0.000 -3.788) 4.702 4.674 ( 13.895 -0.000 6.723) 15.436 4.875 ( 10.063 -0.000 -3.279) 10.584 5.392 ( 2.815 -0.000 0.306) 2.831 5.505 ( -9.091 0.000 1.783) 9.264 5.746 ( 3.697 -0.000 -3.777) 5.285 5.868 ( -5.374 0.000 -5.033) 7.363 6.078 ( -0.312 0.000 12.066) 12.070 6.496 ( -1.211 0.000 -1.083) 1.625 6.842 ( -2.344 0.000 18.612) 18.759 7.402 ( -1.016 0.000 19.280) 19.306 7.742 ( 2.565 -0.000 -10.404) 10.715 8.373 ( -9.191 0.000 3.782) 9.939 8.617 ( -4.048 0.000 -17.424) 17.888 8.682 ( -17.852 0.000 -4.070) 18.310 9.238 ( 0.135 -0.000 4.054) 4.056 9.247 ( 3.320 -0.000 2.565) 4.195 9.393 ( -1.791 0.000 -0.090) 1.793 9.525 ( -6.783 0.000 -4.020) 7.885 9.780 ( 5.021 -0.000 9.147) 10.434 10.324 ( 14.725 -0.000 -7.211) 16.396 12.588 ( -7.318 0.000 2.772) 7.826 12.792 ( -6.195 0.000 -4.020) 7.385 13.546 ( -2.093 0.000 2.493) 3.255 13.673 ( -3.370 0.000 0.258) 3.380 13.954 ( 4.995 -0.000 2.617) 5.639 14.276 ( 0.921 -0.000 -4.599) 4.690 14.322 ( -1.074 0.000 -1.116) 1.549 14.391 ( 15.861 -0.000 -6.767) 17.245 14.906 ( -2.683 0.000 10.202) 10.549 15.543 ( -5.037 0.000 -10.071) 11.260 16.467 ( -1.873 0.000 1.264) 2.260 16.653 ( 1.251 -0.000 -5.330) 5.474 18.352 ( 0.855 -0.000 14.364) 14.390 18.913 ( -0.072 0.000 13.950) 13.950 18.985 ( 0.231 -0.000 -5.736) 5.740 19.266 ( 4.732 -0.000 28.430) 28.821 19.509 ( 0.435 -0.000 -5.896) 5.912 20.403 ( 2.935 -0.000 -6.214) 6.872 20.554 ( 3.423 -0.000 4.174) 5.398 20.672 ( -12.596 0.000 6.724) 14.278 20.772 ( -17.387 0.000 6.453) 18.545 21.292 ( -8.199 0.000 -8.137) 11.551 21.614 ( -3.495 0.000 -1.629) 3.856 21.697 ( -2.636 0.000 -3.619) 4.478 25.497 ( -2.692 0.000 0.957) 2.858 25.576 ( -0.757 0.000 -1.518) 1.696 30.074 ( 7.271 -0.000 0.936) 7.331 30.155 ( 6.850 -0.000 -1.415) 6.995 38.105 ( 6.488 -0.000 6.958) 9.514 38.724 ( 19.904 -0.000 -13.302) 23.940 38.947 ( 2.892 -0.000 1.852) 3.434 39.327 ( -3.689 0.000 -5.884) 6.944 40.066 ( -10.250 0.000 3.156) 10.725 40.134 ( -6.391 0.000 0.661) 6.425 40.932 ( 13.572 -0.000 -4.751) 14.379 41.029 ( 13.153 -0.000 -7.551) 15.166 ======================= Grid point 162 (54/80) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 17.300 -2.653 12.538) 21.530 2.144 ( 11.272 -5.161 10.355) 16.153 2.365 ( -1.623 -0.674 9.416) 9.579 2.535 ( 5.142 4.669 2.635) 7.428 2.716 ( 2.356 10.876 -2.366) 11.377 2.972 ( 8.288 -6.068 5.586) 11.692 3.071 ( 5.823 -6.486 -1.982) 8.939 3.243 ( 1.839 2.857 -3.596) 4.947 3.388 ( 8.536 1.629 19.439) 21.293 3.529 ( 3.786 8.773 4.678) 10.639 3.872 ( -0.560 -0.372 -4.947) 4.992 4.003 ( 17.159 13.315 -0.875) 21.736 4.333 ( 15.450 1.103 3.699) 15.925 4.545 ( 6.502 -12.409 0.961) 14.042 4.564 ( 9.076 -7.107 -2.323) 11.760 4.691 ( 5.668 -2.789 -0.169) 6.319 4.816 ( 10.077 0.599 4.109) 10.899 5.046 ( 7.605 -5.346 0.018) 9.296 5.432 ( -8.086 -5.172 1.839) 9.773 5.464 ( -0.275 -5.334 2.030) 5.714 5.736 ( -2.022 3.923 -3.975) 5.940 5.878 ( 2.487 -5.109 -5.829) 8.140 6.037 ( -0.346 4.513 13.189) 13.944 6.458 ( -1.903 2.859 -0.073) 3.435 6.803 ( -1.924 0.761 18.555) 18.670 7.314 ( -0.688 6.721 17.890) 19.123 7.768 ( 2.949 1.001 -11.047) 11.477 8.266 ( -10.940 -2.223 1.644) 11.284 8.303 ( -11.737 11.427 -6.557) 17.644 8.613 ( -8.700 -3.581 -11.340) 14.734 9.124 ( 3.883 4.387 4.189) 7.202 9.310 ( 4.054 5.727 0.120) 7.018 9.437 ( -6.961 -6.567 1.414) 9.674 9.555 ( -0.819 -3.892 -2.122) 4.508 9.869 ( 1.056 -5.044 10.473) 11.672 10.561 ( 10.426 -8.235 -10.407) 16.877 12.493 ( -7.934 -0.930 2.386) 8.337 12.693 ( -8.163 0.588 -4.225) 9.211 13.539 ( 1.980 0.785 1.206) 2.448 13.639 ( -1.492 0.394 -0.635) 1.668 13.990 ( 3.569 1.620 3.478) 5.240 14.243 ( 0.065 0.997 -1.489) 1.793 14.372 ( -2.170 -4.447 -2.115) 5.381 14.549 ( 9.404 2.354 -8.460) 12.867 14.904 ( -0.539 -3.099 8.250) 8.829 15.503 ( -1.262 -0.572 -10.101) 10.196 16.440 ( -2.716 -0.372 1.295) 3.032 16.652 ( -0.351 0.786 -6.258) 6.317 18.362 ( 0.730 0.128 14.313) 14.332 18.908 ( 0.147 0.611 14.254) 14.268 18.983 ( 0.380 0.538 -4.966) 5.009 19.329 ( 5.553 0.364 26.826) 27.398 19.521 ( 0.855 -0.466 -3.828) 3.950 20.186 ( -23.048 12.714 20.063) 33.096 20.505 ( -0.815 -3.876 -0.559) 4.000 20.608 ( 3.591 -0.794 4.125) 5.527 20.770 ( 2.575 -0.949 -1.816) 3.291 21.155 ( -7.881 4.205 -9.981) 13.395 21.526 ( -5.061 0.519 -1.706) 5.366 21.664 ( -5.564 -1.240 -5.365) 7.828 25.457 ( -2.713 0.662 1.174) 3.030 25.554 ( -0.059 1.641 -1.890) 2.504 30.162 ( 7.082 0.511 1.129) 7.189 30.247 ( 7.231 -0.043 -1.437) 7.372 38.194 ( 7.238 0.203 7.984) 10.778 38.844 ( 12.517 6.581 -7.252) 15.892 38.962 ( 1.306 1.191 0.601) 1.867 39.411 ( -4.707 -8.875 -8.927) 13.439 39.973 ( -10.554 -3.768 1.527) 11.310 40.138 ( -1.293 -6.284 -7.157) 9.612 41.092 ( 12.477 0.920 -4.042) 13.147 41.220 ( 13.430 -3.273 -9.133) 16.567 ======================= Grid point 163 (55/80) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 10.474 -4.448 5.481) 12.630 2.239 ( -0.734 -1.880 11.089) 11.271 2.373 ( 4.452 2.872 3.912) 6.586 2.578 ( 9.939 4.238 -0.894) 10.842 2.654 ( 3.248 -2.901 6.577) 7.889 2.942 ( 2.935 9.634 2.388) 10.351 3.085 ( 2.874 11.570 -1.358) 11.998 3.192 ( 1.702 7.428 10.932) 13.326 3.522 ( 5.492 -1.133 6.426) 8.528 3.659 ( 11.818 -9.890 2.047) 15.546 3.739 ( -2.564 8.268 -4.855) 9.925 4.042 ( 6.636 1.949 -1.306) 7.038 4.433 ( 9.489 5.955 0.667) 11.222 4.568 ( -0.718 7.413 -3.735) 8.331 4.729 ( 0.921 -1.298 5.092) 5.335 4.942 ( 5.148 -8.549 3.306) 10.513 5.007 ( 13.444 -9.213 1.685) 16.384 5.189 ( 1.700 -4.909 3.624) 6.334 5.433 ( -5.912 -3.378 5.280) 8.616 5.558 ( 2.079 -1.297 4.993) 5.562 5.655 ( -0.646 1.501 -2.124) 2.680 5.909 ( -1.208 6.532 10.515) 12.437 6.033 ( 2.975 -6.503 -3.974) 8.181 6.357 ( -1.824 5.501 1.484) 5.983 6.792 ( -1.503 -1.641 14.711) 14.878 7.206 ( 0.328 5.005 15.725) 16.506 7.764 ( 1.133 3.602 -12.051) 12.628 8.015 ( -5.203 6.165 -8.599) 11.791 8.259 ( -8.607 -8.401 3.527) 12.534 8.601 ( -6.314 -6.470 -8.530) 12.429 9.115 ( 1.857 3.219 2.445) 4.449 9.216 ( 0.441 8.000 0.188) 8.015 9.394 ( -6.529 -1.341 3.075) 7.340 9.628 ( 7.361 -0.280 -3.284) 8.065 9.965 ( 0.294 -5.158 11.997) 13.062 10.793 ( 4.201 -7.180 -13.407) 15.778 12.451 ( -4.789 -3.331 1.661) 6.065 12.609 ( -5.910 -1.780 -3.459) 7.075 13.565 ( 5.582 1.691 0.423) 5.848 13.626 ( 1.142 0.734 -0.685) 1.520 13.987 ( 0.410 1.709 3.811) 4.197 14.251 ( -0.321 -1.695 -0.426) 1.777 14.379 ( -4.599 -0.684 -3.767) 5.984 14.549 ( 0.550 2.515 -4.905) 5.540 14.969 ( -0.638 -3.625 6.074) 7.103 15.546 ( 6.227 -0.486 -11.123) 12.757 16.417 ( -3.280 -1.237 0.784) 3.592 16.620 ( -2.558 0.694 -6.276) 6.813 18.364 ( 0.348 0.307 14.276) 14.284 18.897 ( 0.226 0.882 14.125) 14.155 18.977 ( 0.185 0.618 -3.813) 3.867 19.385 ( 4.523 0.149 16.471) 17.082 19.523 ( -1.456 2.293 12.509) 12.800 19.770 ( -11.143 6.274 21.373) 24.907 20.568 ( -1.430 -2.097 -0.489) 2.585 20.658 ( 3.222 -0.234 3.077) 4.461 20.813 ( 2.209 -1.571 -3.466) 4.400 21.006 ( -1.449 4.922 -8.655) 10.062 21.484 ( -5.913 -2.831 -3.697) 7.526 21.619 ( -6.005 -2.143 -6.791) 9.315 25.419 ( -1.480 0.423 1.359) 2.053 25.531 ( 1.125 1.546 -2.306) 2.996 30.213 ( 4.445 1.984 1.396) 5.064 30.310 ( 4.744 1.635 -1.562) 5.255 38.250 ( 4.770 2.061 8.096) 9.620 38.843 ( 5.842 6.550 -8.832) 12.452 38.983 ( 1.835 -1.209 7.406) 7.725 39.443 ( -3.772 -3.459 -4.570) 6.861 39.935 ( -10.207 -6.409 0.457) 12.061 40.259 ( 1.336 -6.193 -12.246) 13.788 41.179 ( 7.748 3.750 -3.683) 9.362 41.421 ( 8.281 -2.654 -14.424) 16.843 ======================= Grid point 164 (56/80) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 3.911 -1.771 4.285) 6.066 2.259 ( -1.405 -2.145 9.075) 9.430 2.357 ( 1.645 2.874 3.169) 4.583 2.638 ( 3.099 14.261 0.913) 14.623 2.701 ( 8.028 6.508 -0.263) 10.338 2.780 ( 5.208 -0.757 12.484) 13.548 3.009 ( -0.276 5.541 3.030) 6.321 3.116 ( 11.393 4.146 7.473) 14.242 3.488 ( -2.911 8.196 2.934) 9.180 3.650 ( 6.681 -0.020 0.262) 6.686 3.844 ( -5.474 -2.466 -7.899) 9.922 4.047 ( -0.744 3.019 -3.504) 4.684 4.224 ( -10.524 15.342 -1.991) 18.711 4.407 ( -5.282 7.726 -4.378) 10.332 4.786 ( 3.618 -2.146 11.359) 12.113 5.072 ( 3.698 -0.723 5.600) 6.750 5.217 ( 1.578 1.188 -0.763) 2.117 5.272 ( 2.657 -1.054 0.508) 2.903 5.414 ( -1.300 -5.052 14.171) 15.101 5.562 ( 2.157 2.396 7.368) 8.042 5.636 ( 1.360 2.060 2.916) 3.820 5.818 ( -3.043 0.938 4.743) 5.713 6.182 ( 1.960 -6.928 -2.718) 7.696 6.230 ( -1.969 6.841 0.258) 7.124 6.801 ( -2.388 -2.039 12.447) 12.837 7.161 ( 2.142 2.316 15.140) 15.465 7.677 ( -2.809 2.852 -12.118) 12.762 7.974 ( 2.831 -0.774 -9.483) 9.927 8.306 ( -7.428 -7.620 5.286) 11.882 8.669 ( -4.728 -8.189 -6.426) 11.433 9.041 ( -0.930 3.882 -0.681) 4.049 9.090 ( -0.206 5.293 -0.833) 5.362 9.415 ( 0.456 -4.704 5.829) 7.504 9.737 ( 11.164 1.114 -3.173) 11.660 10.045 ( 1.256 -2.519 9.931) 10.322 10.894 ( 0.766 -1.264 -15.796) 15.865 12.476 ( -1.433 -3.582 1.712) 4.220 12.626 ( -1.207 -4.967 -3.060) 5.958 13.607 ( 7.180 3.049 0.342) 7.808 13.649 ( 4.602 0.289 -0.256) 4.619 13.937 ( -3.652 1.691 3.316) 5.215 14.275 ( -4.994 -2.427 -3.909) 6.791 14.289 ( -5.442 1.424 -0.920) 5.700 14.529 ( 0.318 0.055 -4.258) 4.271 14.994 ( -1.413 -0.934 8.022) 8.198 15.635 ( 8.491 1.441 -12.193) 14.927 16.401 ( -3.472 -1.815 0.465) 3.945 16.575 ( -3.898 -0.382 -5.361) 6.640 18.361 ( 0.023 0.351 14.250) 14.254 18.887 ( 0.226 0.484 13.919) 13.929 18.963 ( -0.709 0.665 -2.208) 2.413 19.366 ( -3.599 4.484 17.616) 18.530 19.459 ( 0.374 -1.816 11.640) 11.787 19.768 ( 6.197 -5.800 21.244) 22.877 20.502 ( -7.867 1.036 -2.966) 8.471 20.685 ( 1.725 1.119 4.096) 4.583 20.910 ( 3.318 0.420 -1.915) 3.854 20.968 ( 6.772 -1.164 -6.745) 9.628 21.467 ( -5.620 -3.268 -5.668) 8.625 21.592 ( -6.137 -3.164 -7.804) 10.420 25.415 ( 0.203 -0.990 1.242) 1.601 25.528 ( 1.763 0.962 -2.603) 3.288 30.198 ( 1.040 3.680 1.482) 4.101 30.301 ( 1.309 3.684 -1.668) 4.251 38.237 ( 1.390 3.717 7.598) 8.572 38.768 ( -0.077 6.271 -7.939) 10.118 39.006 ( 0.941 1.022 8.910) 9.018 39.513 ( 4.326 -4.855 -3.741) 7.502 39.937 ( -9.645 -7.800 0.387) 12.411 40.378 ( 4.183 -4.317 -11.828) 13.268 41.140 ( 1.211 7.322 -3.683) 8.285 41.462 ( 0.775 4.917 -17.104) 17.814 ======================= Grid point 165 (57/80) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 7.130 14.358 4.002) 16.523 2.278 ( -0.670 3.856 6.542) 7.623 2.314 ( -2.206 -2.567 6.677) 7.485 2.336 ( -3.124 6.957 9.969) 12.551 2.666 ( 1.426 6.423 6.701) 9.391 2.870 ( 7.061 3.364 1.898) 8.049 2.973 ( 4.710 -1.820 7.555) 9.087 3.229 ( 5.302 -0.320 -7.844) 9.473 3.367 ( -1.554 4.177 6.607) 7.969 3.507 ( -11.892 18.349 -5.976) 22.667 3.774 ( -0.296 -1.154 -0.524) 1.302 3.821 ( -0.598 11.370 -0.341) 11.391 3.998 ( -12.411 0.766 -2.077) 12.607 4.213 ( -8.934 -0.889 -1.669) 9.132 4.790 ( 0.870 5.905 9.419) 11.151 5.029 ( 1.703 10.168 2.762) 10.674 5.114 ( 3.189 10.948 1.019) 11.449 5.207 ( -2.533 8.074 2.498) 8.823 5.542 ( 2.011 -3.571 8.334) 9.287 5.581 ( 0.716 -1.107 4.559) 4.746 5.663 ( 1.739 -4.952 3.842) 6.504 5.789 ( -3.073 -4.440 7.270) 9.056 6.063 ( -2.004 9.460 -2.510) 9.990 6.321 ( 1.341 -6.648 0.130) 6.783 6.816 ( -0.868 -2.301 13.647) 13.867 7.157 ( 0.802 0.722 15.479) 15.516 7.640 ( -1.657 -1.494 -10.953) 11.178 8.063 ( 2.620 -5.661 -9.467) 11.337 8.345 ( -3.358 -5.235 5.879) 8.558 8.751 ( -1.636 -6.531 -7.004) 9.715 8.988 ( 0.024 2.174 -1.339) 2.553 9.068 ( 1.183 -1.324 -0.997) 2.036 9.513 ( 0.253 -5.292 6.707) 8.547 9.850 ( 10.801 1.584 -1.479) 11.016 10.046 ( -2.526 2.356 5.384) 6.397 10.855 ( 0.511 7.379 -19.333) 20.700 12.533 ( 0.478 -3.653 2.595) 4.507 12.722 ( 1.272 -5.240 -3.324) 6.334 13.633 ( 5.732 2.967 1.320) 6.588 13.719 ( 6.595 0.413 0.537) 6.629 13.861 ( -3.908 0.981 0.809) 4.110 14.132 ( -12.217 0.345 -6.476) 13.832 14.296 ( -1.011 -1.109 2.853) 3.223 14.539 ( 1.157 0.648 -4.358) 4.555 14.977 ( -0.403 1.189 9.851) 9.931 15.684 ( 5.410 3.061 -12.853) 14.277 16.403 ( -2.040 -2.532 0.732) 3.333 16.551 ( -2.817 -1.848 -4.210) 5.392 18.354 ( -0.120 0.350 14.239) 14.244 18.888 ( 0.156 -0.261 14.012) 14.015 18.947 ( -0.736 -0.139 -0.790) 1.088 19.279 ( -1.572 2.175 22.632) 22.791 19.490 ( -0.307 -1.304 -4.040) 4.256 20.076 ( 11.435 -16.832 27.102) 33.891 20.404 ( -7.172 -1.282 -3.167) 7.945 20.670 ( 1.042 1.713 5.270) 5.639 20.854 ( 0.372 5.262 -2.090) 5.674 21.154 ( 6.634 -5.402 -1.552) 8.695 21.467 ( -1.149 -1.848 -7.328) 7.644 21.578 ( -6.646 -4.722 -9.294) 12.363 25.454 ( 0.957 -2.446 0.632) 2.701 25.536 ( 1.192 0.401 -2.381) 2.693 30.123 ( -1.003 4.573 1.481) 4.911 30.226 ( -0.836 4.820 -1.697) 5.178 38.167 ( -0.719 4.469 6.829) 8.193 38.635 ( -2.434 7.000 -7.025) 10.211 38.984 ( -0.209 1.591 9.390) 9.526 39.666 ( 6.980 -2.317 -9.231) 11.803 39.977 ( -6.624 -9.310 3.717) 12.016 40.521 ( 8.730 -3.305 -11.102) 14.505 40.957 ( -6.206 10.516 -4.533) 13.025 41.274 ( -3.400 14.239 -15.667) 21.442 ======================= Grid point 166 (58/80) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 24.821 17.108) 30.146 1.900 ( 0.000 22.606 7.409) 23.789 2.375 ( -0.000 -7.538 0.383) 7.548 2.501 ( -0.000 -12.750 3.403) 13.196 2.556 ( 0.000 8.005 14.322) 16.408 2.896 ( 0.000 3.630 6.434) 7.387 3.016 ( -0.000 -6.534 2.636) 7.045 3.157 ( 0.000 12.289 1.983) 12.448 3.190 ( 0.000 10.626 -9.631) 14.341 3.282 ( -0.000 -3.545 -8.372) 9.091 3.751 ( -0.000 -2.600 4.171) 4.915 3.813 ( 0.000 0.027 5.271) 5.271 3.897 ( -0.000 -1.622 -1.023) 1.917 4.234 ( -0.000 -6.607 1.155) 6.707 4.647 ( 0.000 9.645 5.621) 11.164 4.796 ( 0.000 17.128 3.406) 17.463 4.931 ( 0.000 12.740 -2.463) 12.976 4.996 ( 0.000 12.350 0.348) 12.354 5.484 ( 0.000 6.284 3.196) 7.050 5.629 ( -0.000 -1.839 2.831) 3.376 5.807 ( -0.000 -7.430 -1.407) 7.562 5.876 ( 0.000 9.976 -4.154) 10.806 5.920 ( -0.000 -9.670 14.525) 17.450 6.439 ( -0.000 -5.735 0.174) 5.737 6.853 ( -0.000 -1.887 15.869) 15.981 7.171 ( -0.000 -3.473 17.955) 18.288 7.667 ( -0.000 -2.250 -9.903) 10.156 8.242 ( -0.000 -13.395 -9.652) 16.510 8.407 ( -0.000 -3.799 5.825) 6.954 8.855 ( -0.000 -5.406 -7.988) 9.645 8.952 ( 0.000 1.619 -0.028) 1.619 9.127 ( -0.000 -4.515 -1.401) 4.728 9.594 ( -0.000 -4.124 7.020) 8.142 9.864 ( 0.000 11.037 6.786) 12.956 9.971 ( -0.000 -2.115 -5.000) 5.429 10.612 ( 0.000 22.083 -20.945) 30.436 12.604 ( -0.000 -3.697 3.085) 4.816 12.809 ( -0.000 -3.483 -3.349) 4.832 13.635 ( 0.000 1.258 2.463) 2.766 13.760 ( 0.000 0.124 4.563) 4.565 13.829 ( 0.000 0.189 -4.322) 4.326 14.040 ( -0.000 -0.703 -4.779) 4.831 14.292 ( 0.000 0.704 2.480) 2.578 14.512 ( 0.000 3.612 -4.047) 5.425 14.956 ( 0.000 0.952 10.366) 10.409 15.664 ( 0.000 2.662 -12.244) 12.530 16.438 ( -0.000 -2.607 0.819) 2.733 16.572 ( -0.000 -2.478 -3.666) 4.425 18.347 ( 0.000 0.342 14.291) 14.295 18.898 ( -0.000 -0.743 13.819) 13.839 18.953 ( -0.000 -1.055 -1.691) 1.993 19.238 ( 0.000 1.627 23.798) 23.854 19.502 ( -0.000 -0.396 -6.185) 6.198 20.347 ( -0.000 -0.532 -7.790) 7.808 20.493 ( -0.000 -8.958 13.949) 16.577 20.751 ( -0.000 -4.155 7.275) 8.378 20.786 ( -0.000 -11.516 8.373) 14.238 21.251 ( -0.000 -2.589 0.182) 2.596 21.470 ( 0.000 1.734 -5.894) 6.144 21.640 ( -0.000 -7.050 -10.123) 12.336 25.506 ( -0.000 -2.155 -0.076) 2.156 25.545 ( -0.000 -0.900 -1.480) 1.732 30.039 ( 0.000 3.858 1.426) 4.113 30.138 ( 0.000 4.171 -1.639) 4.482 38.087 ( 0.000 3.725 6.095) 7.143 38.495 ( 0.000 6.273 -6.160) 8.792 38.955 ( 0.000 1.512 8.802) 8.931 39.686 ( 0.000 5.312 -14.984) 15.898 40.109 ( -0.000 -9.066 6.489) 11.149 40.613 ( 0.000 18.778 -1.647) 18.850 40.710 ( -0.000 -6.253 -12.147) 13.662 40.972 ( 0.000 15.224 -10.491) 18.489 ======================= Grid point 169 (59/80) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 16.378 -0.000 10.944) 19.698 2.181 ( -1.705 0.000 14.505) 14.605 2.373 ( 7.315 -0.000 12.553) 14.529 2.669 ( 4.044 -0.000 -0.011) 4.044 2.919 ( -2.255 0.000 -5.530) 5.972 2.966 ( 4.674 -0.000 3.052) 5.582 3.076 ( 20.856 -0.000 3.978) 21.232 3.286 ( -0.495 0.000 -8.505) 8.520 3.467 ( 5.150 -0.000 19.624) 20.289 3.749 ( 10.403 -0.000 9.634) 14.179 3.814 ( -5.227 0.000 -4.804) 7.099 4.405 ( 3.135 -0.000 4.421) 5.420 4.440 ( 12.898 -0.000 -2.832) 13.206 4.581 ( 20.158 -0.000 2.769) 20.347 4.664 ( 21.968 -0.000 -0.599) 21.977 4.728 ( 4.794 -0.000 -3.272) 5.804 4.977 ( 7.832 -0.000 4.052) 8.818 5.123 ( 10.489 -0.000 -1.333) 10.573 5.232 ( -11.910 0.000 1.110) 11.961 5.380 ( -2.353 0.000 1.179) 2.632 5.793 ( 0.206 -0.000 -6.190) 6.193 5.848 ( 4.483 -0.000 -4.044) 6.038 6.068 ( -0.848 0.000 12.628) 12.656 6.462 ( -1.497 0.000 -0.650) 1.632 6.796 ( -1.030 0.000 21.351) 21.376 7.358 ( -2.327 0.000 17.329) 17.484 7.801 ( 0.707 -0.000 -9.068) 9.095 8.074 ( -12.053 0.000 -0.934) 12.089 8.236 ( -16.980 0.000 -3.635) 17.365 8.483 ( -6.468 0.000 -17.356) 18.522 9.210 ( -1.260 0.000 8.244) 8.340 9.268 ( -1.555 0.000 2.203) 2.696 9.392 ( 0.139 -0.000 1.229) 1.237 9.607 ( 11.379 -0.000 -3.938) 12.042 9.846 ( 0.914 -0.000 12.569) 12.602 10.604 ( 7.574 -0.000 -10.080) 12.608 12.366 ( -9.615 0.000 2.582) 9.956 12.584 ( -9.623 0.000 -4.665) 10.694 13.604 ( 6.956 -0.000 -0.275) 6.961 13.636 ( 0.782 -0.000 -0.188) 0.804 14.043 ( 2.129 -0.000 2.777) 3.500 14.275 ( 0.007 -0.000 -4.148) 4.148 14.279 ( -3.179 0.000 2.687) 4.162 14.640 ( -0.642 0.000 -10.119) 10.139 14.860 ( -0.126 0.000 9.978) 9.979 15.531 ( 6.970 -0.000 -12.711) 14.496 16.390 ( -4.240 0.000 1.865) 4.632 16.636 ( -3.089 0.000 -6.988) 7.640 18.372 ( 0.584 -0.000 14.356) 14.367 18.918 ( 0.485 -0.000 14.572) 14.580 18.992 ( 0.288 -0.000 -5.531) 5.539 19.413 ( 6.663 -0.000 30.930) 31.640 19.523 ( 0.615 -0.000 -5.865) 5.897 19.999 ( -23.782 0.000 26.723) 35.773 20.477 ( 2.189 -0.000 -1.968) 2.943 20.653 ( 4.177 -0.000 3.287) 5.316 20.805 ( 3.669 -0.000 -1.704) 4.046 21.116 ( -4.307 0.000 -13.431) 14.104 21.411 ( -11.387 0.000 -1.350) 11.467 21.566 ( -7.874 0.000 -5.826) 9.795 25.431 ( -2.331 0.000 1.797) 2.943 25.571 ( 0.456 -0.000 -2.631) 2.670 30.259 ( 6.964 -0.000 1.180) 7.064 30.343 ( 7.537 -0.000 -1.383) 7.663 38.298 ( 8.283 -0.000 9.527) 12.624 38.941 ( 2.492 -0.000 4.986) 5.574 39.130 ( 5.199 -0.000 -15.201) 16.065 39.237 ( -2.648 0.000 -2.539) 3.669 39.813 ( -10.178 0.000 -0.122) 10.178 40.085 ( 2.280 -0.000 -14.461) 14.639 41.261 ( 12.169 -0.000 -3.725) 12.726 41.343 ( 11.373 -0.000 -6.026) 12.871 ======================= Grid point 170 (60/80) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 4.515 0.774 11.501) 12.379 2.204 ( 5.693 -3.746 12.917) 14.604 2.478 ( 7.586 0.869 7.280) 10.550 2.659 ( -1.301 2.725 6.813) 7.453 2.829 ( 7.242 4.386 -3.856) 9.304 3.020 ( -1.723 0.544 2.498) 3.083 3.183 ( 2.803 5.975 -4.920) 8.231 3.391 ( 7.623 0.694 7.096) 10.438 3.551 ( 4.757 -4.404 10.247) 12.125 3.685 ( 1.486 4.832 -1.540) 5.284 3.869 ( 7.919 2.292 2.250) 8.545 4.275 ( 4.015 13.231 2.497) 14.050 4.614 ( 3.669 -0.738 -3.839) 5.361 4.723 ( 9.870 8.323 3.632) 13.412 4.751 ( 2.634 1.967 0.298) 3.301 4.927 ( 9.530 -3.129 -0.340) 10.037 5.047 ( 4.884 -3.258 -0.097) 5.872 5.110 ( -4.554 -3.394 -0.750) 5.728 5.311 ( 6.883 -5.045 4.562) 9.677 5.503 ( 4.856 -7.886 2.706) 9.648 5.736 ( 2.019 5.791 -2.581) 6.653 5.956 ( 2.878 -3.307 -2.857) 5.233 6.015 ( -1.689 3.201 10.937) 11.521 6.415 ( -1.599 3.337 0.267) 3.710 6.770 ( -1.177 1.308 20.491) 20.567 7.288 ( -0.561 4.078 15.054) 15.607 7.801 ( -2.762 -1.353 -6.063) 6.799 8.006 ( -8.945 -3.715 -1.931) 9.876 8.020 ( -7.100 2.061 -7.726) 10.693 8.430 ( -6.465 -3.428 -13.871) 15.683 9.176 ( 0.907 2.564 5.062) 5.746 9.287 ( -3.642 -2.544 4.289) 6.175 9.330 ( -1.538 5.255 2.954) 6.221 9.752 ( 11.529 -0.145 -5.492) 12.772 9.891 ( 0.988 -4.065 13.444) 14.079 10.724 ( 2.984 -5.487 -12.092) 13.610 12.301 ( -6.671 -4.702 2.248) 8.466 12.493 ( -6.974 -2.030 -4.018) 8.301 13.660 ( 3.458 0.150 0.798) 3.552 13.700 ( 10.718 1.666 -1.222) 10.915 14.029 ( -0.563 2.891 2.284) 3.727 14.223 ( -2.453 0.005 1.042) 2.665 14.291 ( -5.053 -1.817 -3.134) 6.217 14.560 ( -5.771 1.718 -6.509) 8.867 14.901 ( 0.636 -3.120 9.692) 10.202 15.651 ( 10.835 -0.172 -15.533) 18.939 16.346 ( -4.249 -1.049 1.758) 4.717 16.583 ( -4.828 0.386 -6.569) 8.161 18.374 ( 0.267 0.308 14.398) 14.404 18.918 ( 0.561 0.805 14.511) 14.545 18.990 ( 0.132 0.572 -4.933) 4.968 19.459 ( 3.791 2.129 19.352) 19.834 19.536 ( -1.093 1.031 10.254) 10.364 19.721 ( -10.168 3.145 25.056) 27.223 20.513 ( -1.451 -1.611 -0.478) 2.220 20.698 ( 3.204 0.108 2.877) 4.308 20.839 ( 3.396 0.255 -2.470) 4.207 21.070 ( 1.391 2.519 -10.849) 11.224 21.315 ( -9.750 -4.290 -4.088) 11.410 21.483 ( -8.794 -2.505 -7.657) 11.927 25.406 ( -1.335 0.118 2.114) 2.504 25.570 ( 1.123 1.006 -3.099) 3.446 30.313 ( 4.677 2.287 1.427) 5.398 30.408 ( 5.178 1.946 -1.490) 5.729 38.363 ( 5.687 2.822 9.586) 11.498 38.970 ( 0.245 1.077 -0.773) 1.348 39.055 ( 4.950 5.892 -0.737) 7.731 39.314 ( -2.295 -6.352 -1.478) 6.914 39.724 ( -9.493 -3.528 -1.896) 10.303 40.170 ( 2.364 -5.168 -20.520) 21.292 41.353 ( 8.096 3.988 -3.341) 9.623 41.484 ( 7.647 -1.690 -7.943) 11.155 ======================= Grid point 171 (61/80) ======================= q-point: ( 0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.724 -2.271 11.614) 11.856 2.308 ( 6.099 3.273 10.836) 12.858 2.426 ( -1.488 5.388 5.696) 7.980 2.720 ( 4.422 -6.161 3.721) 8.447 2.858 ( 3.315 2.185 0.533) 4.006 2.964 ( 2.232 10.252 3.911) 11.197 3.073 ( -1.701 4.512 -1.907) 5.185 3.338 ( 6.085 7.462 15.429) 18.187 3.645 ( 4.793 2.301 7.547) 9.232 3.698 ( -0.491 -2.755 -11.784) 12.112 3.863 ( 4.847 8.027 -3.764) 10.104 4.068 ( -4.027 10.684 3.523) 11.949 4.468 ( -4.027 16.925 -7.222) 18.837 4.568 ( 0.031 14.887 -6.944) 16.427 4.789 ( 4.110 -3.271 7.604) 9.242 5.065 ( 3.454 -3.967 4.844) 7.150 5.179 ( 1.115 -7.438 -1.945) 7.768 5.210 ( -0.026 -7.208 4.169) 8.327 5.394 ( 1.855 1.930 6.281) 6.828 5.638 ( 3.914 -1.150 6.654) 7.805 5.690 ( 2.857 3.383 0.048) 4.428 5.853 ( -3.409 7.589 14.235) 16.488 6.092 ( 1.623 -5.884 -4.827) 7.782 6.318 ( -1.209 5.649 0.962) 5.856 6.739 ( -2.254 -0.836 15.179) 15.368 7.240 ( 2.015 3.194 14.690) 15.168 7.718 ( -2.982 5.035 -10.292) 11.840 7.991 ( 1.425 -2.218 -8.123) 8.540 8.046 ( -6.356 -9.519 1.982) 11.617 8.462 ( -4.238 -7.887 -9.244) 12.869 9.105 ( -0.591 4.540 0.681) 4.629 9.185 ( -1.648 6.580 -0.798) 6.830 9.338 ( 0.285 -4.230 10.258) 11.100 9.878 ( 8.344 0.162 -6.286) 10.448 9.991 ( 1.009 -5.058 11.595) 12.691 10.835 ( -0.234 -5.248 -14.492) 15.414 12.358 ( -2.276 -7.274 1.877) 7.850 12.502 ( -2.383 -5.769 -2.887) 6.877 13.707 ( 4.576 0.270 2.229) 5.097 13.797 ( 11.583 3.927 -0.898) 12.264 13.943 ( -2.305 3.732 0.478) 4.412 14.166 ( -11.214 1.231 -6.012) 12.784 14.233 ( -2.582 -1.773 3.184) 4.466 14.514 ( -1.124 -1.199 -5.191) 5.445 14.957 ( 0.258 -2.379 10.664) 10.929 15.762 ( 7.423 1.115 -16.611) 18.228 16.325 ( -3.029 -1.765 1.460) 3.797 16.521 ( -3.876 0.011 -5.086) 6.395 18.369 ( 0.048 0.486 14.397) 14.405 18.906 ( 0.390 1.122 14.339) 14.388 18.973 ( -0.380 1.224 -3.239) 3.483 19.403 ( -4.157 5.160 27.022) 27.823 19.460 ( 1.278 0.933 4.085) 4.381 19.733 ( 2.836 -4.737 23.384) 24.027 20.455 ( -4.526 2.792 -3.887) 6.587 20.722 ( 1.500 0.731 3.698) 4.057 20.938 ( 6.521 -4.281 -0.880) 7.850 21.043 ( 1.232 3.200 -4.298) 5.498 21.312 ( -5.003 -5.422 -10.040) 12.459 21.445 ( -6.761 -4.266 -8.590) 11.734 25.400 ( -0.265 -0.647 2.034) 2.151 25.567 ( 1.159 1.070 -3.369) 3.720 30.292 ( 1.725 4.575 1.562) 5.133 30.396 ( 1.962 4.385 -1.641) 5.076 38.340 ( 2.097 5.097 8.616) 10.228 38.888 ( -0.054 6.536 -6.662) 9.333 39.051 ( 1.703 2.368 7.856) 8.380 39.447 ( 4.012 -9.083 1.808) 10.093 39.695 ( -8.610 -5.577 -4.061) 11.033 40.294 ( 0.965 -7.044 -20.100) 21.321 41.316 ( 3.026 8.328 -2.746) 9.276 41.548 ( 2.439 2.078 -10.990) 11.448 ======================= Grid point 172 (62/80) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 -3.321 8.229) 8.874 2.245 ( 0.000 2.739 10.981) 11.318 2.374 ( 0.000 3.221 5.933) 6.751 2.681 ( 0.000 19.464 3.719) 19.816 2.789 ( 0.000 4.178 -1.041) 4.305 2.911 ( -0.000 -2.183 10.035) 10.270 3.000 ( 0.000 1.063 7.592) 7.666 3.322 ( 0.000 2.952 3.005) 4.213 3.575 ( 0.000 11.102 2.784) 11.446 3.621 ( 0.000 11.951 -8.214) 14.501 3.828 ( 0.000 0.191 -2.646) 2.653 3.882 ( 0.000 0.961 -1.501) 1.782 4.097 ( 0.000 20.347 -5.407) 21.053 4.272 ( 0.000 14.780 -6.730) 16.240 4.860 ( 0.000 0.231 9.782) 9.784 5.127 ( 0.000 0.038 3.251) 3.251 5.257 ( 0.000 0.322 0.560) 0.645 5.303 ( 0.000 4.113 0.008) 4.113 5.390 ( -0.000 -8.099 13.746) 15.954 5.647 ( 0.000 1.963 0.579) 2.047 5.684 ( 0.000 7.007 12.480) 14.312 5.697 ( -0.000 -2.067 6.164) 6.501 6.199 ( 0.000 7.446 -0.339) 7.453 6.213 ( -0.000 -6.903 -2.370) 7.298 6.758 ( -0.000 -2.829 12.990) 13.295 7.201 ( 0.000 2.912 14.989) 15.269 7.632 ( 0.000 2.220 -11.491) 11.704 8.027 ( -0.000 -1.320 -9.714) 9.803 8.185 ( -0.000 -9.871 5.649) 11.373 8.587 ( -0.000 -9.384 -7.140) 11.791 9.038 ( 0.000 3.131 -1.045) 3.301 9.092 ( 0.000 3.062 -0.703) 3.141 9.423 ( -0.000 -5.148 8.848) 10.237 9.935 ( -0.000 -0.064 -7.187) 7.188 10.046 ( -0.000 -0.572 10.668) 10.684 10.899 ( -0.000 -1.793 -17.495) 17.587 12.457 ( -0.000 -5.356 2.246) 5.808 12.613 ( -0.000 -7.644 -2.764) 8.128 13.752 ( -0.000 -0.512 4.136) 4.168 13.760 ( 0.000 5.787 1.173) 5.905 13.913 ( 0.000 4.139 -4.450) 6.077 14.025 ( 0.000 0.049 -5.195) 5.195 14.260 ( -0.000 -2.296 3.446) 4.141 14.537 ( -0.000 -1.370 -4.986) 5.171 14.983 ( -0.000 -0.429 10.844) 10.852 15.774 ( 0.000 2.803 -15.733) 15.981 16.341 ( -0.000 -2.508 1.328) 2.838 16.505 ( -0.000 -1.057 -4.057) 4.192 18.361 ( 0.000 0.467 14.311) 14.319 18.893 ( 0.000 0.643 14.394) 14.408 18.948 ( 0.000 0.943 -1.117) 1.462 19.313 ( 0.000 3.042 24.402) 24.591 19.467 ( -0.000 -0.975 -2.081) 2.298 19.890 ( -0.000 -11.217 30.355) 32.361 20.371 ( 0.000 2.426 -6.618) 7.049 20.709 ( 0.000 1.745 4.565) 4.888 20.954 ( 0.000 5.456 -2.262) 5.906 21.107 ( -0.000 -6.086 1.682) 6.314 21.381 ( -0.000 -6.603 -14.232) 15.690 21.463 ( -0.000 -2.661 -7.539) 7.995 25.421 ( -0.000 -1.844 1.430) 2.334 25.557 ( 0.000 0.971 -3.197) 3.341 30.210 ( 0.000 5.611 1.568) 5.826 30.317 ( 0.000 5.669 -1.724) 5.925 38.256 ( 0.000 5.698 7.620) 9.515 38.760 ( 0.000 8.119 -7.052) 10.754 39.016 ( 0.000 2.270 9.432) 9.701 39.686 ( -0.000 -2.926 -10.230) 10.640 39.706 ( -0.000 -13.243 6.686) 14.835 40.438 ( -0.000 -8.639 -17.400) 19.426 41.150 ( 0.000 12.517 -2.428) 12.750 41.466 ( 0.000 8.906 -13.523) 16.192 ======================= Grid point 177 (63/80) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -2.470 0.000 20.637) 20.784 2.305 ( 11.181 -0.000 4.730) 12.141 2.582 ( 8.113 -0.000 5.535) 9.821 2.679 ( -3.114 0.000 8.781) 9.317 2.798 ( -6.635 0.000 4.427) 7.976 3.017 ( -1.580 0.000 -4.963) 5.208 3.362 ( 7.485 -0.000 -5.493) 9.284 3.465 ( 8.967 -0.000 0.195) 8.969 3.550 ( 1.075 -0.000 17.402) 17.435 3.678 ( -5.690 0.000 0.490) 5.711 4.048 ( 11.808 -0.000 4.809) 12.750 4.421 ( -2.696 0.000 1.812) 3.248 4.631 ( 5.978 -0.000 -2.584) 6.513 4.766 ( -2.521 0.000 1.083) 2.744 4.926 ( -2.698 0.000 -0.602) 2.764 4.972 ( -5.809 0.000 -8.785) 10.532 4.994 ( 6.583 -0.000 4.610) 8.036 5.045 ( 5.679 -0.000 0.997) 5.766 5.476 ( 12.784 -0.000 0.684) 12.803 5.484 ( 7.551 -0.000 3.954) 8.524 5.832 ( 2.091 -0.000 -4.282) 4.765 5.949 ( 3.318 -0.000 -3.203) 4.612 6.014 ( -3.375 0.000 13.880) 14.284 6.426 ( -1.268 0.000 -1.004) 1.617 6.787 ( -0.114 0.000 24.881) 24.881 7.314 ( -0.827 0.000 14.136) 14.160 7.667 ( -7.329 0.000 1.725) 7.529 7.921 ( -7.595 0.000 -4.837) 9.005 7.982 ( 1.657 -0.000 -11.258) 11.379 8.336 ( -4.415 0.000 -18.314) 18.838 9.226 ( 2.673 -0.000 11.321) 11.633 9.244 ( -0.300 0.000 1.890) 1.914 9.340 ( -4.018 0.000 3.394) 5.259 9.859 ( 0.414 -0.000 13.467) 13.473 9.866 ( 6.975 -0.000 -6.231) 9.353 10.701 ( 1.237 -0.000 -12.072) 12.135 12.182 ( -4.405 0.000 2.491) 5.060 12.398 ( -4.447 0.000 -4.411) 6.263 13.708 ( 3.886 -0.000 2.682) 4.722 13.869 ( 14.016 -0.000 -2.673) 14.268 14.045 ( -2.078 0.000 1.070) 2.337 14.188 ( -2.436 0.000 3.314) 4.113 14.196 ( -9.418 0.000 -4.629) 10.494 14.493 ( -4.912 0.000 -6.122) 7.849 14.891 ( 1.516 -0.000 11.474) 11.574 15.773 ( 8.242 -0.000 -19.100) 20.802 16.293 ( -2.735 0.000 2.132) 3.468 16.527 ( -4.307 0.000 -5.856) 7.269 18.379 ( 0.107 -0.000 14.485) 14.485 18.932 ( 0.473 -0.000 14.596) 14.604 18.997 ( 0.133 -0.000 -5.401) 5.402 19.516 ( -0.969 0.000 34.025) 34.039 19.535 ( 0.292 -0.000 -5.848) 5.856 19.650 ( -3.184 0.000 30.031) 30.199 20.489 ( -0.560 0.000 -0.256) 0.615 20.731 ( 1.831 -0.000 3.045) 3.553 20.880 ( 1.998 -0.000 -1.569) 2.540 21.136 ( 5.469 -0.000 -13.992) 15.023 21.160 ( -6.936 0.000 -2.526) 7.382 21.344 ( -9.420 0.000 -9.718) 13.534 25.394 ( -0.718 0.000 2.572) 2.670 25.589 ( 0.627 -0.000 -3.591) 3.645 30.381 ( 2.698 -0.000 1.505) 3.089 30.479 ( 3.053 -0.000 -1.483) 3.394 38.450 ( 3.393 -0.000 10.262) 10.808 38.990 ( 1.521 -0.000 -1.823) 2.374 39.144 ( -1.403 0.000 1.552) 2.092 39.233 ( 1.845 -0.000 3.491) 3.948 39.593 ( -6.638 0.000 -4.429) 7.980 40.156 ( 2.022 -0.000 -25.750) 25.829 41.475 ( 4.738 -0.000 -3.800) 6.074 41.541 ( 4.345 -0.000 -5.604) 7.091 ======================= Grid point 178 (64/80) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -0.000 -2.111 18.417) 18.537 2.391 ( -0.000 -0.542 3.983) 4.020 2.548 ( 0.000 9.501 12.488) 15.691 2.679 ( -0.000 -3.339 -3.598) 4.909 2.785 ( -0.000 -3.838 13.710) 14.237 3.038 ( -0.000 -3.027 -7.727) 8.299 3.271 ( 0.000 13.912 -2.570) 14.148 3.484 ( 0.000 6.141 18.434) 19.430 3.607 ( -0.000 -5.842 -7.973) 9.884 3.657 ( -0.000 -1.994 6.066) 6.385 4.062 ( 0.000 7.885 0.211) 7.887 4.280 ( 0.000 11.880 3.574) 12.406 4.647 ( 0.000 6.294 -5.102) 8.103 4.728 ( 0.000 0.066 4.531) 4.532 4.847 ( 0.000 8.932 -10.189) 13.550 5.012 ( -0.000 -10.560 -2.465) 10.844 5.047 ( -0.000 -0.962 4.267) 4.374 5.108 ( -0.000 -3.777 3.408) 5.088 5.477 ( 0.000 4.419 2.547) 5.100 5.611 ( -0.000 -3.781 3.801) 5.361 5.798 ( 0.000 4.570 -1.186) 4.722 5.945 ( 0.000 4.989 15.965) 16.726 6.019 ( -0.000 -4.152 -4.693) 6.266 6.390 ( 0.000 3.276 -0.450) 3.307 6.746 ( 0.000 3.099 21.660) 21.881 7.296 ( 0.000 1.633 13.924) 14.020 7.698 ( -0.000 -6.194 0.599) 6.223 7.868 ( -0.000 -0.925 -4.720) 4.810 8.001 ( -0.000 -0.606 -10.858) 10.875 8.334 ( -0.000 -3.521 -15.091) 15.496 9.187 ( 0.000 5.085 1.785) 5.389 9.270 ( 0.000 4.190 -0.653) 4.241 9.279 ( -0.000 -2.718 14.118) 14.377 9.908 ( -0.000 -4.786 13.064) 13.913 9.920 ( -0.000 -0.938 -7.068) 7.131 10.746 ( -0.000 -4.187 -12.967) 13.626 12.213 ( -0.000 -6.335 2.302) 6.741 12.402 ( -0.000 -3.558 -3.792) 5.200 13.738 ( -0.000 -0.207 3.889) 3.895 13.971 ( 0.000 5.207 0.661) 5.248 14.036 ( 0.000 0.310 -6.422) 6.429 14.042 ( 0.000 2.060 -1.801) 2.736 14.187 ( -0.000 -1.436 3.253) 3.556 14.478 ( -0.000 -1.390 -5.661) 5.829 14.921 ( -0.000 -2.051 11.704) 11.882 15.825 ( 0.000 0.359 -19.736) 19.739 16.283 ( -0.000 -0.869 2.037) 2.215 16.496 ( 0.000 0.144 -4.926) 4.929 18.377 ( 0.000 0.354 14.496) 14.500 18.927 ( 0.000 0.872 14.526) 14.552 18.990 ( 0.000 0.875 -4.820) 4.899 19.458 ( 0.000 4.316 31.650) 31.943 19.504 ( 0.000 2.753 0.237) 2.764 19.678 ( -0.000 -3.473 26.021) 26.252 20.475 ( 0.000 1.653 -1.996) 2.591 20.741 ( 0.000 0.269 3.281) 3.292 20.910 ( -0.000 -2.827 -0.427) 2.859 21.094 ( 0.000 2.388 -2.988) 3.825 21.224 ( -0.000 -2.527 -13.140) 13.381 21.305 ( -0.000 -5.026 -10.147) 11.324 25.391 ( -0.000 -0.183 2.560) 2.566 25.588 ( 0.000 0.577 -3.698) 3.742 30.372 ( 0.000 2.954 1.567) 3.344 30.474 ( 0.000 2.723 -1.556) 3.136 38.436 ( 0.000 3.829 9.646) 10.378 38.972 ( 0.000 3.358 -5.122) 6.125 39.110 ( 0.000 2.500 6.306) 6.784 39.315 ( -0.000 -7.490 6.022) 9.611 39.574 ( -0.000 -2.649 -6.926) 7.415 40.203 ( -0.000 -3.962 -25.176) 25.485 41.456 ( 0.000 5.138 -3.223) 6.065 41.578 ( -0.000 -0.425 -7.165) 7.177 ======================= Grid point 204 (65/80) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 0.000 25.155) 25.155 1.827 ( 0.000 0.000 23.817) 23.817 2.270 ( 0.000 0.000 -21.104) 21.104 2.285 ( 0.000 0.000 -20.021) 20.021 2.684 ( 0.000 0.000 6.233) 6.233 2.799 ( 0.000 0.000 -3.614) 3.614 3.115 ( 0.000 0.000 10.207) 10.207 3.254 ( 0.000 0.000 -4.772) 4.772 3.264 ( 0.000 0.000 2.287) 2.287 3.301 ( 0.000 0.000 -0.125) 0.125 3.933 ( 0.000 0.000 4.590) 4.590 4.003 ( 0.000 0.000 14.357) 14.357 4.006 ( 0.000 0.000 -2.656) 2.656 4.252 ( 0.000 0.000 -9.995) 9.995 4.406 ( 0.000 0.000 3.721) 3.721 4.501 ( 0.000 0.000 -6.176) 6.176 4.582 ( 0.000 0.000 3.672) 3.672 4.627 ( 0.000 0.000 -1.939) 1.939 5.405 ( 0.000 0.000 5.831) 5.831 5.540 ( 0.000 0.000 -7.305) 7.305 5.729 ( 0.000 0.000 4.442) 4.442 5.831 ( 0.000 0.000 -6.013) 6.013 6.314 ( 0.000 0.000 9.944) 9.944 6.456 ( 0.000 0.000 -4.776) 4.776 7.208 ( 0.000 0.000 15.918) 15.918 7.490 ( 0.000 0.000 -12.795) 12.795 7.837 ( 0.000 0.000 22.916) 22.916 8.280 ( 0.000 0.000 -21.793) 21.793 8.601 ( 0.000 0.000 7.558) 7.558 8.765 ( 0.000 0.000 -9.122) 9.122 9.258 ( 0.000 0.000 2.311) 2.311 9.286 ( 0.000 0.000 0.042) 0.042 9.481 ( 0.000 0.000 4.824) 4.824 9.603 ( 0.000 0.000 -7.035) 7.035 9.807 ( 0.000 0.000 6.840) 6.840 9.929 ( 0.000 0.000 -5.576) 5.576 12.741 ( 0.000 0.000 3.271) 3.271 12.805 ( 0.000 0.000 -3.258) 3.258 13.716 ( 0.000 0.000 4.276) 4.276 13.793 ( 0.000 0.000 -3.487) 3.487 13.851 ( 0.000 0.000 5.093) 5.093 13.953 ( 0.000 0.000 -5.243) 5.243 14.302 ( 0.000 0.000 -0.441) 0.441 14.307 ( 0.000 0.000 -0.955) 0.955 15.164 ( 0.000 0.000 11.758) 11.758 15.398 ( 0.000 0.000 -11.942) 11.942 16.514 ( 0.000 0.000 1.856) 1.856 16.560 ( 0.000 0.000 -2.890) 2.890 18.611 ( 0.000 0.000 12.879) 12.879 18.832 ( 0.000 0.000 -9.569) 9.569 19.165 ( 0.000 0.000 11.686) 11.686 19.364 ( 0.000 0.000 -8.594) 8.594 19.726 ( 0.000 0.000 24.463) 24.463 20.130 ( 0.000 0.000 -16.392) 16.392 20.587 ( 0.000 0.000 3.277) 3.277 20.639 ( 0.000 0.000 -2.104) 2.104 21.296 ( 0.000 0.000 0.519) 0.519 21.331 ( 0.000 0.000 -3.166) 3.166 21.596 ( 0.000 0.000 2.211) 2.211 21.649 ( 0.000 0.000 -3.163) 3.163 25.550 ( 0.000 0.000 0.873) 0.873 25.569 ( 0.000 0.000 -1.041) 1.041 29.999 ( 0.000 0.000 1.596) 1.596 30.031 ( 0.000 0.000 -1.661) 1.661 38.139 ( 0.000 0.000 6.421) 6.421 38.266 ( 0.000 0.000 -6.389) 6.389 39.067 ( 0.000 0.000 7.929) 7.929 39.226 ( 0.000 0.000 -8.150) 8.150 40.381 ( 0.000 0.000 8.314) 8.314 40.420 ( 0.000 0.000 8.935) 8.935 40.549 ( 0.000 0.000 -8.731) 8.731 40.613 ( 0.000 0.000 -10.568) 10.568 ======================= Grid point 205 (66/80) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.267 -4.291 20.750) 21.191 2.042 ( 10.986 -11.395 16.900) 23.155 2.255 ( 0.379 1.980 -16.904) 17.024 2.381 ( 4.001 -5.712 -15.003) 16.544 2.728 ( 2.028 -4.156 10.069) 11.080 2.903 ( 2.937 -7.511 -6.274) 10.218 3.048 ( -3.719 5.033 5.466) 8.310 3.098 ( -1.933 8.395 -1.548) 8.753 3.318 ( 15.714 6.863 3.454) 17.492 3.369 ( 18.079 4.272 -1.834) 18.667 3.803 ( -8.999 2.291 6.666) 11.431 3.903 ( -4.447 5.409 -3.634) 7.889 4.118 ( 10.277 0.297 9.540) 14.026 4.296 ( 5.345 0.689 -7.766) 9.453 4.549 ( -0.998 -13.055 2.738) 13.376 4.603 ( -0.799 -9.945 -1.844) 10.146 4.680 ( 7.562 -8.572 4.802) 12.399 4.786 ( 7.937 -10.401 -4.581) 13.862 5.473 ( 1.534 -6.212 5.940) 8.731 5.602 ( -0.842 -6.607 -5.937) 8.923 5.705 ( -1.643 1.004 2.773) 3.376 5.788 ( -2.701 2.258 -5.234) 6.307 6.291 ( -0.444 2.648 10.493) 10.831 6.441 ( -0.690 1.669 -5.034) 5.349 7.194 ( -0.660 1.435 16.249) 16.326 7.482 ( 0.592 1.446 -13.125) 13.218 7.725 ( -0.583 10.288 22.285) 24.552 8.152 ( -1.945 11.862 -20.627) 23.874 8.559 ( -4.396 1.002 6.938) 8.274 8.707 ( -6.757 1.176 -7.833) 10.412 9.096 ( 2.334 8.127 5.147) 9.899 9.184 ( 1.183 7.656 -3.504) 8.502 9.645 ( -8.631 -11.630 3.607) 14.925 9.718 ( -11.460 -9.492 -2.852) 15.151 9.908 ( 9.068 -6.811 5.949) 12.807 10.061 ( 13.481 -7.890 -8.840) 17.948 12.699 ( -3.505 1.977 3.391) 5.262 12.767 ( -3.427 1.782 -3.510) 5.219 13.655 ( -5.714 0.865 3.296) 6.653 13.711 ( -6.408 1.070 -2.120) 6.834 13.926 ( 8.093 0.866 4.261) 9.187 14.026 ( 9.719 0.744 -5.769) 11.327 14.312 ( 0.456 -2.213 1.894) 2.949 14.359 ( -0.323 -4.296 -2.856) 5.169 15.153 ( -1.981 -0.376 11.583) 11.757 15.383 ( -2.841 -0.529 -11.798) 12.147 16.500 ( -0.019 1.331 1.964) 2.373 16.550 ( 0.587 1.444 -3.117) 3.485 18.614 ( 0.356 -0.068 12.773) 12.778 18.832 ( 0.217 0.094 -9.400) 9.403 19.162 ( 0.128 0.433 11.782) 11.790 19.362 ( 0.063 0.355 -8.618) 8.626 19.744 ( 3.000 -0.113 24.175) 24.361 20.142 ( 2.565 0.469 -15.962) 16.174 20.614 ( 1.494 -1.822 3.580) 4.286 20.670 ( 1.418 -2.405 -2.196) 3.552 21.153 ( -17.858 4.881 5.982) 19.455 21.258 ( -11.005 1.972 -5.117) 12.296 21.518 ( 5.950 8.372 3.503) 10.852 21.611 ( 1.982 5.256 -5.687) 7.994 25.529 ( -1.296 1.314 0.785) 2.006 25.547 ( -0.999 1.625 -1.032) 2.169 30.041 ( 3.764 -1.754 1.567) 4.438 30.073 ( 3.625 -1.861 -1.661) 4.401 38.188 ( 4.637 -1.909 7.260) 8.823 38.337 ( 7.313 -1.881 -7.806) 10.861 39.092 ( -0.519 -3.014 8.946) 9.454 39.282 ( -1.299 -6.407 -10.490) 12.361 40.294 ( -10.771 0.595 4.761) 11.792 40.329 ( -13.054 -4.542 1.601) 13.914 40.702 ( 13.363 -1.650 -3.604) 13.939 40.723 ( 14.330 -1.508 -5.722) 15.503 ======================= Grid point 206 (67/80) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.831 -9.054 11.855) 14.940 2.204 ( -0.309 -1.491 -8.737) 8.869 2.351 ( 4.342 -6.304 6.284) 9.904 2.474 ( 0.732 -2.302 -4.642) 5.233 2.759 ( -0.671 3.056 8.999) 9.527 2.874 ( 0.126 8.089 0.054) 8.091 3.008 ( 4.203 1.428 -0.304) 4.449 3.092 ( 3.885 -0.511 -6.905) 7.939 3.495 ( 17.245 -4.548 7.734) 19.439 3.560 ( 12.510 -0.132 2.572) 12.772 3.720 ( 0.446 -0.487 0.155) 0.678 3.768 ( -2.762 3.060 -3.817) 5.618 4.219 ( 12.056 3.251 5.650) 13.705 4.339 ( 10.116 5.359 -5.905) 12.881 4.769 ( -0.154 -12.590 2.859) 12.911 4.809 ( -0.624 -14.987 -0.976) 15.031 4.961 ( 6.092 -11.231 6.949) 14.544 5.080 ( 6.552 -10.640 -4.116) 13.156 5.588 ( -1.858 -3.086 3.675) 5.146 5.658 ( -3.953 -0.619 -3.481) 5.303 5.667 ( -0.180 -3.137 6.688) 7.389 5.820 ( 2.655 -7.787 -7.761) 11.310 6.196 ( -1.072 7.553 11.926) 14.157 6.365 ( -1.604 5.740 -5.316) 7.986 7.145 ( -0.900 2.550 16.764) 16.980 7.452 ( 0.947 3.109 -13.566) 13.950 7.555 ( -0.667 7.498 17.907) 19.425 7.909 ( -3.541 10.566 -16.787) 20.149 8.502 ( -4.169 -1.672 5.790) 7.328 8.622 ( -6.100 -2.016 -6.466) 9.115 9.048 ( 4.628 4.022 2.864) 6.768 9.106 ( 3.724 5.747 -2.686) 7.355 9.621 ( -7.942 0.065 2.660) 8.376 9.668 ( -9.861 -1.286 -1.903) 10.124 10.142 ( 5.095 -8.029 10.540) 14.195 10.381 ( 6.985 -10.882 -13.574) 18.747 12.612 ( -4.294 1.904 3.145) 5.653 12.678 ( -4.721 2.099 -3.602) 6.298 13.585 ( -3.901 0.267 2.339) 4.556 13.629 ( -4.118 0.803 -2.070) 4.678 14.004 ( 6.448 0.310 5.388) 8.409 14.122 ( 7.245 0.172 -6.494) 9.731 14.364 ( 1.746 -1.016 2.060) 2.886 14.419 ( -0.060 -2.462 -3.319) 4.133 15.144 ( -1.918 -1.624 10.604) 10.898 15.357 ( -3.793 -1.463 -11.065) 11.788 16.478 ( 0.438 1.342 2.058) 2.495 16.533 ( 1.065 1.559 -3.563) 4.033 18.619 ( 0.361 -0.005 12.574) 12.579 18.833 ( 0.249 0.161 -9.091) 9.095 19.154 ( 0.152 0.621 11.749) 11.766 19.350 ( -0.269 0.880 -8.089) 8.141 19.807 ( 5.886 -0.943 23.001) 23.761 20.168 ( 3.072 1.186 -12.669) 13.090 20.653 ( -1.726 0.733 6.515) 6.780 20.737 ( 0.869 -2.774 -2.949) 4.141 20.795 ( -13.589 6.608 11.875) 19.218 21.016 ( -14.051 6.308 -9.504) 18.098 21.490 ( 3.976 2.973 1.121) 5.090 21.561 ( 2.485 3.526 -5.761) 7.197 25.483 ( -1.715 1.625 0.828) 2.503 25.502 ( -1.176 1.622 -1.184) 2.327 30.128 ( 4.279 -1.968 1.630) 4.984 30.161 ( 4.218 -2.123 -1.722) 5.026 38.288 ( 5.220 -1.924 8.474) 10.137 38.462 ( 7.266 -1.500 -9.102) 11.743 39.141 ( -0.668 -3.164 10.341) 10.835 39.360 ( -2.589 -4.331 -11.794) 12.828 40.184 ( -5.957 0.047 4.013) 7.183 40.255 ( -10.297 -3.728 -3.074) 11.374 40.896 ( 11.217 -2.686 -1.264) 11.603 40.943 ( 11.100 -4.713 -6.399) 13.652 ======================= Grid point 207 (68/80) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -0.412 -4.443 4.849) 6.589 2.236 ( -0.380 -2.320 -6.437) 6.853 2.436 ( -0.678 -2.604 5.234) 5.885 2.501 ( 2.504 1.676 -1.187) 3.239 2.699 ( -0.102 0.477 7.102) 7.119 2.816 ( 1.635 3.255 -4.035) 5.436 3.005 ( 0.611 -0.972 5.981) 6.090 3.080 ( 1.631 4.927 -2.287) 5.671 3.607 ( 1.958 0.144 4.784) 5.171 3.650 ( -3.815 1.173 1.644) 4.317 3.788 ( 6.115 -7.190 -0.678) 9.464 3.862 ( 6.404 -0.531 -5.288) 8.322 4.292 ( 6.367 2.253 2.278) 7.128 4.355 ( 4.504 2.881 -3.927) 6.634 4.944 ( -0.254 -6.691 7.161) 9.804 5.055 ( 1.424 -10.057 -4.168) 10.979 5.136 ( 2.740 -2.678 6.486) 7.533 5.236 ( 1.590 -1.119 -3.260) 3.796 5.596 ( -0.473 -1.290 1.248) 1.856 5.617 ( -0.570 -0.598 0.031) 0.827 5.779 ( -0.533 -5.784 12.794) 14.051 5.981 ( 0.008 -2.349 -1.427) 2.748 6.051 ( 0.765 1.526 3.963) 4.315 6.216 ( -1.693 8.506 -6.569) 10.880 7.108 ( -0.043 0.937 15.555) 15.583 7.414 ( 0.623 1.916 -11.962) 12.130 7.458 ( -0.844 2.598 12.343) 12.641 7.748 ( -2.281 3.433 -13.750) 14.355 8.521 ( -0.798 -2.745 5.767) 6.437 8.634 ( -1.531 -3.349 -5.792) 6.864 9.041 ( 3.195 2.558 0.564) 4.131 9.056 ( 2.370 4.167 -0.825) 4.865 9.513 ( -4.907 1.376 2.838) 5.833 9.570 ( -5.153 0.355 -2.948) 5.948 10.274 ( 1.282 -2.847 13.793) 14.143 10.562 ( 2.043 -3.757 -15.345) 15.930 12.551 ( -1.762 0.580 2.453) 3.075 12.607 ( -2.184 0.802 -3.173) 3.935 13.551 ( -1.347 -0.028 1.684) 2.157 13.586 ( -1.426 0.292 -1.747) 2.274 14.063 ( 2.624 -0.236 6.040) 6.590 14.194 ( 2.921 -0.816 -7.197) 7.810 14.370 ( 0.052 0.919 2.974) 3.113 14.441 ( 0.200 -0.212 -3.967) 3.977 15.158 ( -0.443 -1.203 8.969) 9.061 15.346 ( -1.737 -1.005 -9.932) 10.133 16.467 ( 0.326 0.508 1.978) 2.068 16.524 ( 0.556 0.640 -3.843) 3.936 18.622 ( 0.141 0.018 12.450) 12.451 18.833 ( 0.113 0.081 -8.908) 8.909 19.147 ( 0.059 0.306 11.419) 11.423 19.332 ( -0.243 0.568 -7.295) 7.321 19.921 ( 7.497 -2.620 20.910) 22.367 20.115 ( -5.354 4.196 6.175) 9.187 20.535 ( 0.838 0.997 1.225) 1.788 20.676 ( -8.251 2.912 -6.934) 11.164 20.773 ( -0.885 -1.088 0.669) 1.554 20.834 ( -1.027 0.791 -4.037) 4.240 21.493 ( 1.250 0.703 -0.124) 1.440 21.544 ( 0.814 1.007 -5.159) 5.319 25.445 ( -0.768 0.738 1.199) 1.604 25.472 ( -0.534 0.600 -1.586) 1.778 30.192 ( 1.799 -0.831 1.712) 2.619 30.227 ( 1.787 -0.888 -1.794) 2.683 38.359 ( 2.145 -0.744 9.109) 9.387 38.545 ( 2.871 -0.606 -9.651) 10.087 39.175 ( -0.217 -1.280 10.197) 10.279 39.369 ( -1.769 -0.734 -9.093) 9.293 40.142 ( -1.492 -0.102 2.878) 3.244 40.213 ( -3.669 -1.392 -4.439) 5.924 41.031 ( 4.042 -1.435 -0.098) 4.290 41.109 ( 4.261 -2.522 -8.924) 10.206 ======================= Grid point 212 (69/80) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 9.009 -0.000 20.690) 22.566 2.086 ( 16.144 -0.000 13.143) 20.817 2.361 ( 5.304 -0.000 -14.023) 14.993 2.390 ( 8.555 -0.000 -12.426) 15.086 2.734 ( 4.286 -0.000 5.185) 6.727 2.856 ( 4.168 -0.000 -4.212) 5.925 3.065 ( -0.610 0.000 8.531) 8.552 3.166 ( -0.508 0.000 -3.865) 3.898 3.588 ( 13.420 -0.000 8.297) 15.778 3.681 ( 19.611 -0.000 -2.403) 19.758 3.749 ( 0.468 -0.000 8.432) 8.445 3.915 ( 0.491 -0.000 -7.808) 7.823 4.231 ( 10.457 -0.000 6.090) 12.101 4.334 ( 5.998 -0.000 -4.103) 7.267 4.437 ( 3.094 -0.000 5.223) 6.070 4.539 ( 3.730 -0.000 -4.871) 6.135 4.763 ( 12.011 -0.000 2.772) 12.327 4.812 ( 11.523 -0.000 -2.826) 11.864 5.435 ( 1.027 -0.000 3.943) 4.075 5.510 ( -5.045 0.000 -2.227) 5.515 5.695 ( -0.118 0.000 0.013) 0.119 5.755 ( -4.855 0.000 -5.226) 7.133 6.306 ( -0.537 0.000 9.685) 9.699 6.444 ( -0.873 0.000 -4.585) 4.668 7.201 ( -0.273 0.000 17.411) 17.413 7.507 ( 1.423 -0.000 -13.824) 13.898 7.807 ( -2.495 0.000 21.849) 21.991 8.235 ( -3.636 0.000 -21.260) 21.569 8.463 ( -11.828 0.000 5.354) 12.983 8.577 ( -14.843 0.000 -6.043) 16.026 9.294 ( 3.722 -0.000 2.023) 4.237 9.304 ( 3.002 -0.000 1.859) 3.531 9.391 ( -3.859 0.000 0.816) 3.945 9.445 ( -5.687 0.000 -3.954) 6.926 9.973 ( 8.370 -0.000 10.143) 13.151 10.164 ( 11.836 -0.000 -9.146) 14.957 12.648 ( -7.315 0.000 3.371) 8.054 12.717 ( -7.031 0.000 -3.687) 7.940 13.601 ( -3.778 0.000 2.962) 4.801 13.653 ( -4.382 0.000 -2.115) 4.866 14.031 ( 6.526 -0.000 5.209) 8.350 14.151 ( 6.711 -0.000 -6.875) 9.607 14.311 ( 1.382 -0.000 0.010) 1.382 14.324 ( 5.081 -0.000 -1.431) 5.278 15.116 ( -3.330 0.000 11.127) 11.615 15.334 ( -4.196 0.000 -11.098) 11.865 16.503 ( -1.237 0.000 2.455) 2.749 16.564 ( -0.259 0.000 -3.842) 3.850 18.620 ( 0.673 -0.000 12.683) 12.701 18.837 ( 0.422 -0.000 -9.397) 9.406 19.169 ( 0.330 -0.000 11.856) 11.860 19.369 ( 0.428 -0.000 -8.619) 8.630 19.796 ( 5.547 -0.000 24.629) 25.245 20.194 ( 5.061 -0.000 -15.586) 16.387 20.628 ( 3.131 -0.000 3.250) 4.513 20.678 ( 3.072 -0.000 -1.827) 3.574 20.957 ( -21.378 0.000 9.155) 23.256 21.126 ( -13.558 0.000 -8.507) 16.006 21.602 ( -3.521 0.000 0.457) 3.550 21.633 ( -3.309 0.000 -2.625) 4.224 25.519 ( -2.125 0.000 1.269) 2.475 25.546 ( -1.463 0.000 -1.487) 2.086 30.097 ( 7.105 -0.000 1.369) 7.236 30.125 ( 6.962 -0.000 -1.520) 7.126 38.263 ( 9.327 -0.000 9.237) 13.127 38.467 ( 14.366 -0.000 -11.813) 18.599 39.054 ( -0.950 0.000 6.975) 7.039 39.196 ( -2.095 0.000 -7.265) 7.561 40.125 ( -12.689 0.000 2.416) 12.917 40.148 ( -11.744 0.000 0.102) 11.744 40.871 ( 15.508 -0.000 -0.962) 15.538 40.906 ( 15.282 -0.000 -4.459) 15.919 ======================= Grid point 213 (70/80) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 11.419 2.361 14.798) 18.840 2.277 ( 8.853 1.161 -3.788) 9.699 2.377 ( 6.502 2.143 0.973) 6.915 2.494 ( 5.934 0.565 -5.638) 8.205 2.786 ( 2.592 0.598 9.191) 9.568 2.978 ( 2.112 -1.609 -8.757) 9.151 3.078 ( 4.385 0.554 5.310) 6.909 3.161 ( 6.262 -1.678 -3.016) 7.150 3.627 ( -1.207 2.186 6.815) 7.258 3.724 ( 5.361 5.543 3.116) 8.317 3.801 ( 8.060 5.033 4.283) 10.423 3.948 ( 19.681 11.045 -5.175) 23.154 4.417 ( 14.254 0.998 4.668) 15.032 4.500 ( 9.434 -2.442 -3.591) 10.386 4.585 ( 6.374 -11.318 2.336) 13.198 4.643 ( 4.160 -6.221 -3.425) 8.230 4.918 ( 9.666 -3.636 5.615) 11.755 5.013 ( 8.632 -6.854 -3.587) 11.592 5.474 ( -6.021 -5.594 2.330) 8.542 5.498 ( -3.846 -7.500 0.819) 8.468 5.681 ( -0.067 2.005 0.013) 2.006 5.755 ( 2.324 -3.466 -6.168) 7.447 6.273 ( -0.949 3.137 9.914) 10.442 6.414 ( -1.409 2.321 -4.570) 5.316 7.182 ( 0.203 2.278 18.976) 19.113 7.515 ( 2.192 1.835 -14.814) 15.087 7.680 ( -3.466 8.532 19.172) 21.269 8.047 ( -7.009 11.822 -17.257) 22.061 8.336 ( -12.610 -4.687 4.206) 14.095 8.438 ( -12.619 -5.342 -6.578) 15.200 9.210 ( 5.395 5.894 4.311) 9.079 9.283 ( 5.431 6.402 -2.858) 8.869 9.468 ( -5.471 -6.111 1.854) 8.409 9.509 ( -3.204 -5.090 -2.300) 6.439 10.099 ( 5.488 -4.447 12.460) 14.322 10.340 ( 8.599 -5.504 -11.993) 15.750 12.548 ( -8.189 -0.357 3.173) 8.789 12.615 ( -8.312 0.084 -3.751) 9.120 13.572 ( 0.133 0.692 2.019) 2.139 13.612 ( -1.140 0.652 -1.918) 2.325 14.076 ( 3.068 1.073 5.141) 6.082 14.180 ( 1.416 0.612 -4.909) 5.146 14.363 ( 1.293 -2.112 1.351) 2.821 14.420 ( 5.931 -0.573 -4.600) 7.527 15.092 ( -1.755 -1.549 10.352) 10.613 15.299 ( -2.013 -0.962 -10.644) 10.876 16.479 ( -2.202 0.132 2.742) 3.519 16.548 ( -1.441 0.489 -4.399) 4.655 18.627 ( 0.619 0.161 12.524) 12.540 18.841 ( 0.431 0.222 -9.195) 9.208 19.169 ( 0.409 0.582 11.884) 11.905 19.367 ( 0.376 0.899 -8.353) 8.410 19.879 ( 7.655 -0.308 24.229) 25.412 20.248 ( 4.881 2.258 -11.992) 13.142 20.633 ( -11.197 3.383 9.685) 15.186 20.703 ( -5.302 -0.742 6.867) 8.707 20.728 ( 2.800 -0.759 -1.742) 3.383 20.934 ( -12.147 2.730 -12.261) 17.474 21.517 ( -5.945 1.005 0.969) 6.107 21.567 ( -6.103 0.253 -4.086) 7.349 25.484 ( -1.893 0.999 1.554) 2.645 25.517 ( -0.990 1.350 -1.823) 2.475 30.188 ( 7.196 0.276 1.450) 7.345 30.217 ( 7.236 0.098 -1.559) 7.402 38.377 ( 9.552 1.208 10.746) 14.428 38.610 ( 12.461 3.723 -12.845) 18.279 39.076 ( -0.173 -3.367 7.751) 8.453 39.238 ( -1.508 -6.178 -8.655) 10.740 40.009 ( -11.851 -3.899 2.057) 12.644 40.053 ( -9.365 -4.352 -2.683) 10.670 41.045 ( 13.618 1.069 -0.390) 13.666 41.085 ( 13.986 0.235 -4.570) 14.715 ======================= Grid point 214 (71/80) ======================= q-point: ( 0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 9.383 0.665 7.748) 12.187 2.298 ( 7.332 4.655 -7.511) 11.483 2.434 ( 3.088 -0.020 8.399) 8.949 2.555 ( 6.375 0.713 -3.481) 7.298 2.786 ( 1.798 2.090 7.090) 7.607 2.924 ( 2.065 4.020 -6.102) 7.593 3.130 ( 4.375 5.310 7.172) 9.939 3.248 ( 8.661 5.776 -3.104) 10.864 3.597 ( 1.492 -1.153 1.395) 2.346 3.647 ( -3.256 4.416 -3.669) 6.600 3.826 ( 7.849 4.241 11.372) 14.454 3.990 ( 8.598 5.224 -4.962) 11.217 4.446 ( 4.186 8.152 0.925) 9.210 4.487 ( -0.357 8.396 -3.516) 9.109 4.826 ( 4.717 -7.869 4.971) 10.435 4.917 ( 8.729 -11.259 -3.894) 14.769 5.115 ( 4.968 -6.722 6.397) 10.526 5.203 ( 2.526 -6.227 -2.160) 7.059 5.527 ( -1.177 -5.622 3.832) 6.905 5.596 ( 0.368 -3.671 -3.434) 5.040 5.686 ( 1.812 -2.774 9.176) 9.756 5.878 ( 2.380 -6.889 -9.157) 11.703 6.165 ( -1.502 7.585 10.923) 13.383 6.322 ( -1.830 5.998 -4.974) 8.004 7.131 ( -0.605 3.052 18.753) 19.009 7.481 ( 0.820 4.815 -14.143) 14.963 7.515 ( -1.834 5.275 12.992) 14.142 7.797 ( -4.235 6.270 -13.330) 15.328 8.341 ( -8.191 -9.892 4.846) 13.727 8.451 ( -7.169 -9.498 -6.622) 13.618 9.165 ( 1.180 6.259 2.526) 6.852 9.205 ( 0.692 8.052 -1.402) 8.202 9.463 ( -1.450 -1.472 3.962) 4.468 9.547 ( 3.595 -1.031 -4.450) 5.813 10.229 ( 1.989 -4.564 14.451) 15.284 10.516 ( 3.330 -5.289 -14.700) 15.973 12.491 ( -4.943 -2.770 2.419) 6.161 12.545 ( -5.391 -2.295 -3.064) 6.612 13.581 ( 3.986 1.286 1.136) 4.339 13.606 ( 2.429 1.030 -1.308) 2.945 14.077 ( -0.628 0.841 5.222) 5.326 14.185 ( -1.092 -0.519 -5.499) 5.630 14.374 ( -1.923 0.129 2.697) 3.315 14.450 ( 0.073 0.685 -4.741) 4.791 15.129 ( 1.208 -2.500 9.613) 10.006 15.330 ( 3.082 -1.607 -10.798) 11.344 16.449 ( -2.927 -0.465 2.537) 3.901 16.517 ( -2.672 0.126 -4.350) 5.107 18.629 ( 0.351 0.338 12.438) 12.447 18.840 ( 0.267 0.390 -8.986) 8.999 19.160 ( 0.268 0.881 11.623) 11.659 19.350 ( 0.305 1.361 -7.713) 7.838 19.987 ( 7.646 -0.497 22.262) 23.544 20.138 ( -7.114 7.066 10.603) 14.593 20.524 ( -1.465 -1.784 -2.418) 3.343 20.622 ( -6.246 2.235 -9.238) 11.373 20.776 ( 3.302 -0.795 2.311) 4.108 20.854 ( 1.849 0.365 -5.637) 5.944 21.445 ( -7.305 -1.880 0.144) 7.544 21.497 ( -7.044 -1.653 -5.031) 8.812 25.450 ( -0.715 0.834 1.764) 2.078 25.488 ( 0.183 1.259 -2.109) 2.463 30.244 ( 4.576 1.881 1.673) 5.223 30.277 ( 4.680 1.758 -1.734) 5.292 38.432 ( 5.648 3.287 10.338) 12.231 38.644 ( 6.117 5.060 -10.975) 13.545 39.148 ( 1.965 -2.911 9.022) 9.681 39.319 ( 0.152 -3.838 -7.950) 8.829 39.969 ( -10.487 -7.161 3.165) 13.087 40.068 ( -6.083 -7.845 -7.239) 12.286 41.145 ( 8.944 3.855 0.588) 9.757 41.215 ( 9.602 2.326 -6.815) 12.002 ======================= Grid point 215 (72/80) ======================= q-point: (-0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 6.418 1.331 4.713) 8.073 2.318 ( 5.937 3.185 -4.464) 8.083 2.444 ( 1.148 1.412 8.476) 8.669 2.586 ( 3.788 4.802 -5.450) 8.192 2.776 ( 4.683 2.367 6.888) 8.659 2.913 ( 4.498 4.755 -5.420) 8.498 3.043 ( 2.843 4.775 9.490) 10.997 3.191 ( 8.294 13.123 -3.136) 15.837 3.554 ( -3.080 0.640 4.640) 5.606 3.661 ( 1.616 -2.533 -4.666) 5.549 3.784 ( -3.825 4.847 6.338) 8.849 3.942 ( 0.227 7.974 -7.522) 10.964 4.227 ( -11.031 8.286 2.516) 14.024 4.307 ( -8.143 6.900 -5.148) 11.850 4.987 ( 3.630 -3.576 9.024) 10.363 5.131 ( 4.143 -3.610 -4.854) 7.332 5.190 ( 0.903 2.313 3.667) 4.429 5.257 ( 0.635 1.827 -2.216) 2.941 5.601 ( 0.327 -2.496 3.009) 3.923 5.620 ( 1.172 0.975 0.769) 1.708 5.807 ( 2.924 -6.017 13.427) 15.001 5.984 ( -0.523 5.085 8.105) 9.582 6.065 ( 0.884 -6.217 -7.244) 9.587 6.172 ( -2.119 7.818 -6.197) 10.199 7.084 ( -1.873 -0.111 15.968) 16.078 7.399 ( -1.856 2.158 -15.277) 15.540 7.463 ( 1.759 1.310 14.858) 15.019 7.747 ( 2.157 -0.095 -13.433) 13.605 8.420 ( -6.675 -8.572 6.196) 12.507 8.544 ( -5.636 -8.884 -6.371) 12.299 9.047 ( -0.954 5.023 1.020) 5.213 9.070 ( -0.471 5.459 -1.167) 5.602 9.529 ( 4.671 -2.969 5.867) 8.066 9.643 ( 8.399 -1.032 -5.670) 10.186 10.287 ( -0.155 -0.555 14.101) 14.112 10.582 ( -0.403 -0.163 -15.834) 15.840 12.517 ( -0.960 -3.965 2.375) 4.721 12.568 ( -0.907 -4.496 -2.856) 5.403 13.618 ( 6.530 2.066 0.819) 6.898 13.636 ( 5.709 1.129 -0.915) 5.891 14.021 ( -5.717 1.174 5.149) 7.783 14.137 ( -7.334 0.642 -6.698) 9.953 14.354 ( -1.009 -0.795 4.064) 4.263 14.440 ( -0.343 -0.421 -4.634) 4.666 15.179 ( 1.912 -0.515 10.528) 10.713 15.399 ( 4.866 0.127 -11.849) 12.810 16.427 ( -3.015 -1.344 2.167) 3.949 16.486 ( -3.132 -0.877 -3.787) 4.992 18.625 ( 0.076 0.362 12.437) 12.443 18.835 ( 0.039 0.347 -8.826) 8.833 19.149 ( 0.089 0.522 11.517) 11.529 19.337 ( 0.604 0.550 -7.607) 7.651 19.897 ( -6.916 4.953 21.452) 23.078 20.132 ( 4.948 -0.906 4.323) 6.633 20.470 ( -3.311 -3.254 6.275) 7.806 20.702 ( 5.955 -3.941 -7.587) 10.419 20.833 ( 6.555 -0.036 -2.231) 6.925 20.866 ( 3.013 1.628 -2.581) 4.288 21.396 ( -8.430 -3.431 -0.610) 9.122 21.451 ( -7.489 -3.144 -5.806) 9.984 25.444 ( 0.551 -0.313 1.682) 1.798 25.481 ( 1.077 0.399 -2.167) 2.453 30.230 ( 1.143 3.707 1.781) 4.268 30.266 ( 1.233 3.709 -1.849) 4.324 38.405 ( 1.366 4.693 9.371) 10.569 38.593 ( 0.924 5.704 -9.608) 11.211 39.197 ( 1.670 0.043 10.274) 10.409 39.389 ( 3.337 -1.880 -8.710) 9.515 39.998 ( -7.664 -9.265 5.885) 13.387 40.158 ( -2.275 -8.489 -10.165) 13.438 41.115 ( 2.747 8.148 1.565) 8.740 41.212 ( 3.404 7.610 -8.606) 11.982 ======================= Grid point 216 (73/80) ======================= q-point: (-0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 5.061 8.503 3.376) 10.456 2.291 ( 2.298 4.917 -2.551) 5.997 2.444 ( -0.371 0.595 5.861) 5.903 2.489 ( 0.858 6.688 3.169) 7.450 2.812 ( 6.080 2.003 7.542) 9.892 2.888 ( 7.696 4.892 1.080) 9.183 3.046 ( 2.463 1.259 -2.014) 3.421 3.064 ( 4.288 7.521 -6.796) 11.006 3.436 ( -17.930 10.980 1.043) 21.050 3.463 ( -12.494 9.481 0.931) 15.712 3.767 ( 5.428 -1.933 0.228) 5.766 3.794 ( 3.144 4.697 -2.111) 6.033 4.027 ( -11.950 -1.363 4.595) 12.875 4.135 ( -9.425 -2.581 -5.485) 11.207 4.976 ( 1.526 8.135 8.493) 11.859 5.084 ( 2.855 11.598 -0.268) 11.947 5.110 ( 0.547 9.366 1.149) 9.453 5.183 ( -2.863 7.645 -3.850) 9.026 5.622 ( 1.033 -1.264 1.853) 2.470 5.644 ( 1.852 -2.799 -0.265) 3.367 5.775 ( -1.485 8.735 9.875) 13.267 5.958 ( -1.550 10.620 -7.559) 13.128 6.045 ( 0.240 -10.358 13.512) 17.027 6.254 ( 1.090 -8.966 -7.192) 11.545 7.102 ( -0.229 -3.243 15.206) 15.550 7.392 ( -0.641 -2.609 -13.817) 14.076 7.482 ( 0.720 -1.459 16.943) 17.021 7.810 ( 1.784 -4.273 -15.690) 16.359 8.473 ( -2.871 -5.274 7.001) 9.224 8.612 ( -2.166 -5.734 -7.188) 9.447 8.999 ( 0.413 0.958 1.864) 2.136 9.040 ( 1.067 -0.516 -1.903) 2.242 9.642 ( 3.255 -3.920 6.523) 8.277 9.765 ( 6.823 -1.938 -5.853) 9.196 10.228 ( -2.016 6.281 12.154) 13.829 10.507 ( -1.660 7.820 -16.184) 18.051 12.591 ( 1.112 -4.176 3.198) 5.377 12.656 ( 1.345 -4.751 -3.426) 6.010 13.663 ( 6.429 2.030 1.799) 6.978 13.700 ( 7.511 1.170 -1.804) 7.813 13.917 ( -7.841 0.460 4.276) 8.943 14.014 ( -9.654 0.257 -5.559) 11.143 14.364 ( -0.069 -0.449 4.032) 4.058 14.450 ( 0.578 0.133 -4.610) 4.648 15.190 ( 1.366 1.302 11.748) 11.898 15.431 ( 3.145 1.804 -12.792) 13.296 16.429 ( -1.706 -2.335 1.946) 3.486 16.479 ( -1.940 -2.090 -3.142) 4.243 18.619 ( -0.070 0.286 12.524) 12.528 18.831 ( -0.064 0.119 -8.842) 8.843 19.146 ( -0.018 -0.155 11.794) 11.795 19.345 ( 0.529 -0.364 -8.422) 8.447 19.773 ( -3.565 2.125 22.807) 23.181 20.138 ( -1.250 0.887 -13.573) 13.659 20.630 ( 3.527 -7.966 15.826) 18.066 20.766 ( 1.647 -1.137 0.957) 2.219 20.832 ( 4.196 1.113 5.278) 6.834 21.064 ( 13.808 -7.661 -10.030) 18.707 21.354 ( -8.756 -3.857 -1.604) 9.701 21.415 ( -8.119 -3.460 -6.582) 11.009 25.471 ( 0.885 -1.575 1.049) 2.089 25.496 ( 0.938 -0.597 -1.640) 1.982 30.155 ( -0.943 4.664 1.779) 5.080 30.191 ( -0.888 4.752 -1.859) 5.180 38.316 ( -1.071 5.363 8.250) 9.898 38.481 ( -1.695 6.307 -8.418) 10.654 39.193 ( 0.712 1.893 11.885) 12.056 39.439 ( 2.621 1.140 -12.830) 13.144 40.104 ( -2.201 -10.082 8.731) 13.517 40.302 ( 2.199 -8.243 -11.108) 14.006 40.935 ( -2.819 12.486 2.377) 13.019 41.043 ( -1.190 12.997 -8.497) 15.574 ======================= Grid point 217 (74/80) ======================= q-point: (-0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.000 12.361 9.511) 15.597 2.218 ( 0.000 17.820 16.931) 24.581 2.257 ( 0.000 1.542 -9.553) 9.676 2.480 ( 0.000 3.428 -7.729) 8.455 2.805 ( 0.000 4.487 11.662) 12.496 2.969 ( -0.000 -4.892 -0.783) 4.954 3.009 ( 0.000 6.801 -6.213) 9.211 3.042 ( -0.000 -1.889 -6.500) 6.769 3.110 ( 0.000 0.942 4.790) 4.882 3.212 ( 0.000 3.168 -2.554) 4.069 3.819 ( -0.000 -2.613 2.714) 3.767 3.865 ( -0.000 -2.460 -2.098) 3.233 3.994 ( -0.000 -4.495 10.563) 11.479 4.170 ( -0.000 -6.979 -6.839) 9.771 4.799 ( 0.000 12.670 8.641) 15.337 4.849 ( 0.000 16.821 2.362) 16.986 4.892 ( 0.000 16.366 -1.970) 16.485 4.944 ( 0.000 13.340 -5.546) 14.447 5.598 ( 0.000 8.956 7.876) 11.927 5.680 ( -0.000 -2.873 2.632) 3.896 5.738 ( -0.000 -4.735 -3.402) 5.831 5.757 ( 0.000 10.423 -7.643) 12.924 6.211 ( -0.000 -7.422 12.457) 14.500 6.388 ( -0.000 -5.469 -5.658) 7.869 7.162 ( -0.000 -2.983 15.370) 15.657 7.442 ( -0.000 -2.893 -13.058) 13.374 7.555 ( -0.000 -7.647 20.762) 22.126 7.951 ( -0.000 -11.040 -18.743) 21.753 8.539 ( -0.000 -3.686 7.510) 8.366 8.695 ( -0.000 -4.280 -8.269) 9.311 9.005 ( -0.000 -1.657 4.181) 4.497 9.082 ( -0.000 -3.648 -3.286) 4.910 9.732 ( -0.000 -3.879 6.933) 7.945 9.861 ( -0.000 -3.203 -6.206) 6.984 10.025 ( 0.000 14.578 10.027) 17.693 10.266 ( 0.000 18.488 -14.803) 23.684 12.669 ( -0.000 -3.670 3.577) 5.124 12.741 ( -0.000 -3.621 -3.639) 5.134 13.689 ( 0.000 0.201 3.029) 3.036 13.753 ( -0.000 -0.298 -3.531) 3.544 13.851 ( -0.000 -0.158 4.734) 4.736 13.945 ( -0.000 -0.468 -4.863) 4.885 14.352 ( 0.000 1.926 3.588) 4.072 14.429 ( 0.000 2.902 -4.248) 5.145 15.177 ( 0.000 1.055 12.016) 12.062 15.419 ( 0.000 1.563 -12.656) 12.752 16.463 ( -0.000 -2.550 1.806) 3.125 16.509 ( -0.000 -2.500 -2.824) 3.771 18.614 ( 0.000 0.210 12.682) 12.684 18.830 ( -0.000 -0.051 -9.119) 9.119 19.152 ( -0.000 -0.540 11.876) 11.889 19.356 ( -0.000 -0.453 -8.882) 8.893 19.730 ( 0.000 0.588 23.680) 23.688 20.121 ( -0.000 -0.090 -15.792) 15.792 20.648 ( 0.000 2.624 4.913) 5.570 20.722 ( 0.000 4.184 -2.844) 5.059 21.126 ( -0.000 -19.913 16.758) 26.026 21.278 ( -0.000 -1.183 2.703) 2.950 21.357 ( 0.000 0.508 -5.238) 5.262 21.415 ( -0.000 -12.126 -12.993) 17.772 25.509 ( -0.000 -1.896 0.421) 1.943 25.522 ( -0.000 -1.675 -0.900) 1.901 30.070 ( 0.000 3.952 1.708) 4.306 30.104 ( 0.000 4.061 -1.790) 4.438 38.219 ( 0.000 4.477 7.213) 8.490 38.362 ( 0.000 5.389 -7.291) 9.066 39.153 ( 0.000 3.247 11.382) 11.836 39.399 ( 0.000 5.210 -13.838) 14.786 40.266 ( -0.000 -8.688 9.498) 12.872 40.474 ( -0.000 -7.815 -11.649) 14.027 40.657 ( 0.000 14.523 5.190) 15.423 40.791 ( 0.000 13.155 -8.178) 15.490 ======================= Grid point 220 (75/80) ======================= q-point: ( 0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 10.578 -0.000 13.318) 17.007 2.394 ( 7.714 -0.000 1.632) 7.885 2.464 ( 2.477 -0.000 1.588) 2.942 2.599 ( 6.641 -0.000 -6.417) 9.235 2.884 ( 5.442 -0.000 5.537) 7.764 3.016 ( 10.025 -0.000 -2.004) 10.223 3.132 ( -3.830 0.000 -3.922) 5.481 3.134 ( 7.722 -0.000 0.456) 7.736 3.654 ( 2.243 -0.000 4.354) 4.898 3.730 ( -2.050 0.000 -3.895) 4.402 4.079 ( 12.197 -0.000 17.891) 21.653 4.339 ( 13.266 -0.000 -8.540) 15.777 4.491 ( 5.217 -0.000 5.056) 7.265 4.601 ( 12.709 -0.000 -5.607) 13.891 4.652 ( 19.347 -0.000 3.277) 19.623 4.688 ( 13.772 -0.000 -0.862) 13.799 5.017 ( 4.839 -0.000 1.280) 5.005 5.062 ( 5.138 -0.000 -3.321) 6.118 5.298 ( -6.734 0.000 4.160) 7.915 5.367 ( -3.413 0.000 -2.381) 4.162 5.723 ( 2.707 -0.000 -0.464) 2.747 5.765 ( 4.502 -0.000 -3.952) 5.991 6.287 ( -1.161 0.000 9.061) 9.135 6.417 ( -1.425 0.000 -4.258) 4.491 7.219 ( 2.191 -0.000 20.502) 20.619 7.566 ( 3.546 -0.000 -14.831) 15.249 7.714 ( -5.029 0.000 19.365) 20.007 8.087 ( -14.867 0.000 -2.790) 15.127 8.115 ( -7.678 0.000 -15.077) 16.920 8.159 ( -17.023 0.000 -3.897) 17.463 9.306 ( -2.071 0.000 1.475) 2.543 9.311 ( -1.717 0.000 1.725) 2.434 9.434 ( 5.378 -0.000 3.803) 6.587 9.522 ( 9.459 -0.000 -4.612) 10.523 10.113 ( 2.991 -0.000 14.125) 14.438 10.379 ( 5.342 -0.000 -12.806) 13.875 12.425 ( -9.737 0.000 3.414) 10.319 12.498 ( -9.685 0.000 -4.107) 10.520 13.608 ( 4.657 -0.000 0.627) 4.699 13.624 ( 2.397 -0.000 -0.894) 2.558 14.109 ( 0.722 -0.000 3.865) 3.932 14.190 ( -0.348 0.000 -4.362) 4.376 14.352 ( -0.654 0.000 4.849) 4.893 14.470 ( 0.773 -0.000 -7.299) 7.340 15.067 ( 0.758 -0.000 11.061) 11.087 15.291 ( 2.807 -0.000 -11.892) 12.218 16.440 ( -3.850 0.000 3.287) 5.062 16.520 ( -3.463 0.000 -4.984) 6.069 18.636 ( 0.559 -0.000 12.443) 12.455 18.849 ( 0.438 -0.000 -9.140) 9.151 19.181 ( 0.590 -0.000 12.010) 12.024 19.383 ( 0.597 -0.000 -8.659) 8.679 19.979 ( 8.979 -0.000 25.499) 27.034 20.354 ( 7.127 -0.000 -12.065) 14.013 20.444 ( -18.385 0.000 19.157) 26.552 20.693 ( -1.270 0.000 -1.065) 1.658 20.772 ( 4.164 -0.000 -1.499) 4.426 20.830 ( -5.461 0.000 -13.323) 14.399 21.404 ( -11.625 0.000 0.988) 11.666 21.459 ( -10.535 0.000 -4.549) 11.475 25.471 ( -1.490 0.000 2.287) 2.730 25.519 ( -0.533 0.000 -2.608) 2.662 30.285 ( 7.261 -0.000 1.455) 7.405 30.314 ( 7.446 -0.000 -1.528) 7.601 38.520 ( 9.936 -0.000 13.202) 16.523 38.810 ( 9.848 -0.000 -16.112) 18.883 39.053 ( 3.014 -0.000 5.874) 6.602 39.162 ( 0.650 -0.000 -4.950) 4.992 39.830 ( -11.680 0.000 2.048) 11.858 39.901 ( -8.567 0.000 -5.664) 10.270 41.219 ( 12.260 -0.000 -0.379) 12.266 41.249 ( 11.985 -0.000 -3.346) 12.443 ======================= Grid point 221 (76/80) ======================= q-point: ( 0.43 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 7.905 2.529 9.315) 12.476 2.449 ( 3.820 1.870 -1.935) 4.672 2.490 ( 5.306 0.252 8.459) 9.989 2.685 ( 7.896 -0.770 -6.993) 10.576 2.849 ( 1.417 5.678 7.662) 9.642 3.005 ( -1.557 5.366 -6.916) 8.891 3.169 ( 4.229 -2.023 6.765) 8.230 3.328 ( 6.377 -5.100 -7.686) 11.214 3.672 ( 3.672 2.664 1.201) 4.693 3.688 ( -0.482 2.293 -0.039) 2.343 4.089 ( 8.955 10.814 15.429) 20.862 4.293 ( 8.588 14.193 -3.545) 16.963 4.559 ( -1.198 1.523 0.375) 1.974 4.648 ( 1.656 7.112 -6.651) 9.878 4.840 ( 7.014 1.420 5.499) 9.025 4.926 ( 11.166 -2.657 -2.193) 11.685 5.034 ( -0.102 -5.113 1.476) 5.323 5.087 ( -0.002 -8.186 -2.428) 8.538 5.412 ( 5.757 -7.768 5.463) 11.106 5.501 ( 5.840 -9.011 -2.913) 11.126 5.740 ( 4.051 2.332 3.281) 5.711 5.842 ( 4.110 -2.213 -6.354) 7.885 6.240 ( -2.024 3.522 9.417) 10.256 6.374 ( -1.954 2.756 -4.424) 5.567 7.207 ( 1.160 5.091 22.272) 22.875 7.573 ( -2.810 4.803 8.567) 10.215 7.587 ( 1.861 4.754 -9.729) 10.987 7.839 ( -7.779 6.682 -11.650) 15.520 8.034 ( -11.049 -10.769 4.321) 16.023 8.176 ( -8.787 -10.449 -10.630) 17.303 9.244 ( -1.451 3.982 2.630) 4.988 9.286 ( -2.677 3.033 -1.568) 4.339 9.478 ( 4.365 0.660 8.404) 9.493 9.629 ( 8.729 0.410 -7.029) 11.215 10.173 ( 1.125 -3.820 15.033) 15.552 10.464 ( 1.822 -4.140 -14.369) 15.064 12.353 ( -6.690 -4.020 2.986) 8.357 12.417 ( -6.761 -3.083 -3.618) 8.264 13.671 ( 6.100 0.542 0.447) 6.140 13.682 ( 8.616 1.061 -0.675) 8.707 14.086 ( -2.156 2.082 3.537) 4.636 14.166 ( -3.043 1.007 -4.476) 5.505 14.329 ( -4.056 -0.836 4.645) 6.223 14.435 ( -4.259 0.202 -6.056) 7.406 15.114 ( 3.199 -2.080 11.890) 12.487 15.364 ( 6.321 -1.290 -13.743) 15.182 16.394 ( -4.047 -0.527 3.203) 5.188 16.472 ( -4.172 -0.086 -4.785) 6.349 18.639 ( 0.324 0.316 12.423) 12.431 18.850 ( 0.286 0.345 -9.032) 9.043 19.180 ( 0.456 0.834 11.873) 11.911 19.379 ( 0.480 1.161 -8.408) 8.502 20.086 ( 7.443 0.932 26.007) 27.068 20.167 ( -8.592 6.849 17.501) 20.664 20.461 ( -2.373 -1.737 -4.728) 5.568 20.617 ( -0.456 1.653 -15.064) 15.161 20.815 ( 4.811 -0.571 1.527) 5.080 20.877 ( 4.332 -2.259 -5.627) 7.452 21.277 ( -12.123 -2.439 0.385) 12.372 21.340 ( -11.611 -2.498 -5.999) 13.306 25.453 ( -0.607 0.434 2.675) 2.778 25.509 ( 0.237 0.755 -3.051) 3.152 30.343 ( 4.890 2.186 1.669) 5.610 30.376 ( 5.066 2.068 -1.690) 5.726 38.578 ( 5.693 4.377 12.092) 14.063 38.815 ( 3.263 6.094 -11.415) 13.345 39.145 ( 6.306 -2.331 6.393) 9.278 39.258 ( 3.958 -5.250 -4.580) 8.013 39.727 ( -11.486 -4.509 2.911) 12.678 39.859 ( -6.538 -6.030 -11.078) 14.207 41.321 ( 8.318 3.217 0.175) 8.920 41.364 ( 8.265 1.553 -4.238) 9.417 ======================= Grid point 222 (77/80) ======================= q-point: ( 0.57 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 3.578 1.722 7.955) 8.891 2.443 ( 2.733 2.752 -3.553) 5.260 2.551 ( 7.114 5.719 11.921) 15.014 2.763 ( 8.205 7.090 -8.588) 13.833 2.781 ( -2.882 -2.411 6.143) 7.201 2.936 ( -1.486 -0.337 -8.087) 8.229 3.179 ( 0.202 2.309 12.443) 12.657 3.419 ( 3.077 0.306 -11.026) 11.451 3.611 ( 1.886 5.245 6.157) 8.305 3.715 ( 5.268 1.139 -3.682) 6.527 3.937 ( 2.525 15.001 12.542) 19.716 4.124 ( 4.430 13.506 -1.736) 14.320 4.327 ( -10.247 16.195 -3.327) 19.451 4.408 ( -4.949 14.517 -7.994) 17.295 4.950 ( 3.499 -6.439 8.029) 10.871 5.089 ( 3.417 -7.456 -5.681) 9.977 5.167 ( 0.953 -4.554 4.168) 6.247 5.230 ( 0.827 -5.215 -1.703) 5.548 5.559 ( 1.760 -3.573 8.516) 9.401 5.666 ( 3.182 -1.539 -2.631) 4.406 5.769 ( 4.100 -0.832 7.587) 8.664 5.945 ( 2.577 -5.561 -9.168) 11.028 6.117 ( -2.212 7.576 10.892) 13.451 6.274 ( -1.812 6.045 -5.189) 8.170 7.093 ( -1.951 4.834 19.620) 20.301 7.455 ( -2.124 7.305 -16.494) 18.164 7.520 ( 1.925 1.854 13.792) 14.049 7.776 ( 1.817 0.064 -12.289) 12.423 8.140 ( -6.536 -13.152 6.263) 15.966 8.285 ( -5.366 -11.967 -8.458) 15.606 9.131 ( -1.126 5.914 1.703) 6.257 9.163 ( -1.494 6.344 -1.439) 6.674 9.540 ( 3.473 -1.689 10.066) 10.781 9.725 ( 6.213 -0.458 -8.794) 10.777 10.250 ( 0.148 -3.575 14.320) 14.761 10.541 ( -0.449 -3.561 -15.252) 15.668 12.399 ( -2.181 -6.958 2.306) 7.648 12.448 ( -2.205 -6.450 -2.673) 7.322 13.745 ( 8.275 1.308 1.660) 8.541 13.774 ( 11.140 2.474 -1.342) 11.491 13.979 ( -7.167 3.406 3.038) 8.497 14.057 ( -9.774 2.356 -4.921) 11.194 14.311 ( -1.808 -1.862 4.633) 5.311 14.410 ( -1.495 -1.629 -5.325) 5.766 15.186 ( 2.194 -1.688 12.686) 12.985 15.454 ( 4.363 -0.678 -14.788) 15.433 16.366 ( -2.683 -1.195 2.755) 4.027 16.432 ( -2.895 -0.618 -3.983) 4.963 18.634 ( 0.099 0.518 12.436) 12.448 18.844 ( 0.081 0.570 -8.865) 8.884 19.166 ( 0.186 1.152 11.712) 11.769 19.361 ( 0.407 1.295 -8.155) 8.268 19.929 ( -4.639 7.053 22.958) 24.460 20.205 ( 6.521 0.967 7.490) 9.979 20.369 ( -6.081 -0.945 6.448) 8.914 20.697 ( 3.953 -3.451 -11.102) 12.279 20.915 ( 8.984 -1.687 -0.659) 9.164 20.946 ( 4.642 1.666 -3.090) 5.820 21.192 ( -11.983 -4.714 -0.346) 12.881 21.277 ( -8.808 -5.123 -7.708) 12.776 25.446 ( 0.117 0.011 2.644) 2.646 25.502 ( 0.604 0.642 -3.142) 3.263 30.325 ( 1.816 4.549 1.833) 5.230 30.362 ( 1.899 4.484 -1.857) 5.212 38.528 ( 1.942 6.408 10.289) 12.276 38.726 ( 1.133 7.199 -9.592) 12.046 39.224 ( 2.635 0.113 9.406) 9.768 39.396 ( 5.590 -3.172 -7.231) 9.674 39.720 ( -8.845 -10.087 7.324) 15.285 39.944 ( -3.287 -10.487 -15.098) 18.675 41.302 ( 3.463 7.517 1.474) 8.407 41.378 ( 3.475 5.557 -6.317) 9.103 ======================= Grid point 223 (78/80) ======================= q-point: (-0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 1.348 5.662) 5.820 2.408 ( 0.000 4.519 -2.411) 5.122 2.465 ( 0.000 5.119 10.990) 12.124 2.648 ( 0.000 9.379 -6.728) 11.543 2.835 ( -0.000 -2.675 5.676) 6.275 2.966 ( -0.000 -2.792 -6.575) 7.143 3.125 ( 0.000 6.398 12.710) 14.229 3.391 ( 0.000 7.413 -13.746) 15.618 3.498 ( 0.000 12.410 9.733) 15.772 3.609 ( 0.000 15.095 -1.092) 15.135 3.813 ( 0.000 0.314 3.115) 3.131 3.951 ( 0.000 12.517 -8.809) 15.306 3.960 ( 0.000 7.500 7.282) 10.453 4.118 ( 0.000 10.323 -8.358) 13.282 5.050 ( -0.000 -0.775 9.032) 9.065 5.198 ( -0.000 -1.065 -5.739) 5.837 5.201 ( 0.000 1.011 3.972) 4.099 5.270 ( 0.000 1.705 -2.888) 3.354 5.600 ( -0.000 -0.953 5.961) 6.037 5.652 ( 0.000 2.653 -0.507) 2.701 5.872 ( -0.000 -8.210 11.932) 14.484 5.941 ( 0.000 10.490 12.172) 16.069 6.097 ( -0.000 -9.594 -9.411) 13.439 6.129 ( 0.000 9.481 -6.776) 11.653 7.051 ( -0.000 -1.252 16.306) 16.354 7.367 ( 0.000 1.178 -15.378) 15.423 7.502 ( 0.000 1.945 15.453) 15.575 7.792 ( -0.000 -0.210 -13.885) 13.887 8.307 ( -0.000 -10.563 6.773) 12.548 8.445 ( -0.000 -10.399 -7.255) 12.679 9.045 ( 0.000 3.558 1.277) 3.780 9.073 ( 0.000 3.239 -1.313) 3.495 9.601 ( -0.000 -2.930 9.282) 9.733 9.779 ( -0.000 -1.172 -8.684) 8.763 10.280 ( 0.000 0.634 13.345) 13.360 10.568 ( 0.000 0.535 -16.046) 16.055 12.505 ( -0.000 -6.190 2.609) 6.718 12.558 ( -0.000 -7.006 -2.785) 7.539 13.791 ( 0.000 5.391 2.009) 5.753 13.836 ( -0.000 -0.606 4.446) 4.487 13.840 ( 0.000 4.890 -3.064) 5.770 13.927 ( -0.000 -0.437 -4.844) 4.864 14.339 ( -0.000 -2.108 4.590) 5.051 14.436 ( -0.000 -1.790 -5.204) 5.503 15.213 ( 0.000 0.084 12.694) 12.695 15.478 ( 0.000 0.965 -14.439) 14.472 16.377 ( -0.000 -2.030 2.330) 3.090 16.432 ( -0.000 -1.531 -3.317) 3.654 18.626 ( 0.000 0.480 12.460) 12.469 18.835 ( 0.000 0.449 -8.733) 8.744 19.150 ( 0.000 0.660 11.783) 11.802 19.349 ( 0.000 0.440 -8.439) 8.451 19.804 ( 0.000 4.309 23.054) 23.453 20.172 ( 0.000 3.746 -14.320) 14.802 20.467 ( -0.000 -10.872 25.799) 27.997 20.762 ( -0.000 -1.277 -1.818) 2.222 20.916 ( 0.000 4.376 -0.165) 4.379 21.069 ( -0.000 -5.119 -15.955) 16.756 21.173 ( -0.000 -5.431 5.236) 7.544 21.306 ( -0.000 -4.070 -7.968) 8.948 25.454 ( -0.000 -0.843 2.007) 2.177 25.500 ( 0.000 0.182 -2.642) 2.649 30.244 ( 0.000 5.662 1.860) 5.960 30.281 ( 0.000 5.685 -1.916) 6.000 38.421 ( 0.000 6.878 9.120) 11.423 38.601 ( 0.000 7.874 -8.971) 11.937 39.224 ( 0.000 1.133 11.674) 11.729 39.461 ( -0.000 -0.633 -12.273) 12.289 39.874 ( -0.000 -13.087 10.598) 16.840 40.121 ( -0.000 -11.811 -14.635) 18.807 41.151 ( 0.000 12.050 2.684) 12.346 41.256 ( 0.000 10.799 -8.028) 13.456 ======================= Grid point 228 (79/80) ======================= q-point: ( 0.43 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 5.377 -0.000 6.085) 8.120 2.452 ( 0.041 -0.000 14.297) 14.297 2.551 ( 2.808 -0.000 -3.107) 4.188 2.729 ( 6.001 -0.000 -7.466) 9.578 2.924 ( -0.369 0.000 5.928) 5.939 2.965 ( -8.732 0.000 1.202) 8.814 3.286 ( 8.740 -0.000 -0.529) 8.756 3.372 ( 7.498 -0.000 -7.052) 10.293 3.702 ( -0.891 0.000 1.692) 1.912 3.723 ( 2.117 -0.000 0.891) 2.297 4.294 ( 6.764 -0.000 16.292) 17.640 4.527 ( -1.656 0.000 8.568) 8.726 4.540 ( 6.329 -0.000 -7.988) 10.191 4.709 ( 1.205 -0.000 -8.203) 8.291 4.865 ( -10.764 0.000 -0.486) 10.775 4.892 ( -7.754 0.000 -2.182) 8.055 5.053 ( 8.462 -0.000 1.279) 8.558 5.057 ( 6.588 -0.000 0.305) 6.595 5.485 ( 10.937 -0.000 0.445) 10.946 5.501 ( 8.332 -0.000 -0.996) 8.391 5.815 ( 3.875 -0.000 2.126) 4.420 5.879 ( 4.224 -0.000 -3.781) 5.669 6.241 ( -2.291 0.000 9.075) 9.360 6.373 ( -1.840 0.000 -4.567) 4.924 7.298 ( 3.145 -0.000 25.273) 25.468 7.584 ( -4.351 0.000 13.981) 14.643 7.657 ( 1.393 -0.000 -7.668) 7.794 7.786 ( -4.827 0.000 -5.429) 7.265 7.837 ( -7.898 0.000 -3.394) 8.597 7.948 ( -6.258 0.000 -19.525) 20.504 9.277 ( -0.405 0.000 1.373) 1.432 9.294 ( 0.043 -0.000 -0.259) 0.263 9.524 ( 1.637 -0.000 11.264) 11.382 9.721 ( 5.024 -0.000 -8.745) 10.085 10.144 ( 0.282 -0.000 15.240) 15.243 10.439 ( 0.466 -0.000 -14.532) 14.539 12.240 ( -4.353 0.000 3.403) 5.525 12.314 ( -4.350 0.000 -4.106) 5.981 13.761 ( 7.362 -0.000 2.751) 7.859 13.815 ( 11.180 -0.000 -2.779) 11.520 14.072 ( -4.346 0.000 1.820) 4.712 14.120 ( -7.244 0.000 -3.162) 7.904 14.269 ( -3.180 0.000 4.910) 5.849 14.375 ( -3.924 0.000 -5.827) 7.025 15.136 ( 2.916 -0.000 13.631) 13.939 15.427 ( 5.061 -0.000 -16.258) 17.028 16.346 ( -2.766 0.000 3.351) 4.345 16.424 ( -3.145 0.000 -4.629) 5.596 18.645 ( 0.167 -0.000 12.436) 12.437 18.856 ( 0.172 -0.000 -9.050) 9.052 19.193 ( 0.319 -0.000 11.899) 11.903 19.394 ( 0.276 -0.000 -8.684) 8.688 20.128 ( -6.360 0.000 25.479) 26.261 20.187 ( 5.794 -0.000 25.771) 26.415 20.430 ( -1.488 0.000 -7.318) 7.467 20.646 ( 2.191 -0.000 -16.681) 16.824 20.865 ( 3.273 -0.000 0.500) 3.311 20.908 ( 7.509 -0.000 -5.021) 9.033 21.119 ( -9.404 0.000 -1.143) 9.473 21.164 ( -12.557 0.000 -6.838) 14.298 25.450 ( -0.304 0.000 3.211) 3.225 25.518 ( 0.159 -0.000 -3.601) 3.605 30.413 ( 2.839 -0.000 1.732) 3.325 30.447 ( 2.965 -0.000 -1.718) 3.427 38.673 ( 2.466 -0.000 11.896) 12.149 38.883 ( -0.206 0.000 -8.739) 8.741 39.220 ( 6.257 -0.000 4.983) 7.999 39.283 ( 9.079 -0.000 0.075) 9.080 39.547 ( -11.624 0.000 2.101) 11.812 39.734 ( -4.608 0.000 -16.461) 17.094 41.432 ( 4.650 -0.000 -0.538) 4.681 41.456 ( 4.506 -0.000 -2.929) 5.374 ======================= Grid point 229 (80/80) ======================= q-point: (-0.43 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.000 3.163 9.581) 10.089 2.487 ( 0.000 0.854 0.809) 1.177 2.625 ( -0.000 -6.735 4.639) 8.178 2.790 ( 0.000 8.981 11.414) 14.523 2.840 ( -0.000 -4.815 -12.055) 12.981 2.933 ( 0.000 1.493 -0.638) 1.623 3.259 ( 0.000 7.338 4.088) 8.399 3.421 ( -0.000 -0.334 -10.292) 10.297 3.676 ( 0.000 2.034 5.014) 5.411 3.743 ( -0.000 -0.681 -0.814) 1.061 4.223 ( 0.000 12.864 14.708) 19.540 4.417 ( 0.000 10.571 9.510) 14.219 4.492 ( 0.000 11.442 -11.182) 15.999 4.620 ( 0.000 10.937 -10.748) 15.334 4.839 ( -0.000 -6.425 4.895) 8.077 4.936 ( -0.000 -9.754 -4.784) 10.864 5.120 ( -0.000 -3.140 3.250) 4.519 5.154 ( -0.000 -4.488 0.404) 4.506 5.539 ( -0.000 -0.400 4.165) 4.184 5.620 ( -0.000 -4.940 -2.938) 5.748 5.827 ( 0.000 1.862 3.736) 4.174 5.917 ( -0.000 -1.047 -5.244) 5.348 6.195 ( 0.000 3.474 9.755) 10.355 6.336 ( 0.000 2.792 -4.889) 5.630 7.209 ( 0.000 9.244 23.607) 25.352 7.552 ( 0.000 0.470 12.337) 12.346 7.587 ( 0.000 8.717 -13.317) 15.916 7.783 ( -0.000 -0.559 -11.406) 11.419 7.866 ( -0.000 -11.926 4.981) 12.925 8.042 ( -0.000 -11.543 -13.028) 17.406 9.223 ( 0.000 5.204 1.766) 5.495 9.252 ( 0.000 4.765 -1.213) 4.917 9.541 ( -0.000 -0.828 12.346) 12.373 9.757 ( -0.000 -0.462 -9.717) 9.728 10.182 ( -0.000 -3.775 14.748) 15.224 10.473 ( -0.000 -3.414 -14.726) 15.117 12.265 ( -0.000 -5.674 3.009) 6.423 12.330 ( -0.000 -4.694 -3.559) 5.891 13.821 ( -0.000 -0.205 4.606) 4.611 13.919 ( -0.000 -0.048 -5.480) 5.480 13.987 ( 0.000 4.561 0.973) 4.663 14.010 ( 0.000 3.513 -1.419) 3.789 14.265 ( -0.000 -1.610 4.703) 4.971 14.367 ( -0.000 -1.587 -5.567) 5.789 15.171 ( -0.000 -1.607 13.927) 14.020 15.469 ( -0.000 -0.864 -16.681) 16.704 16.333 ( -0.000 -0.586 3.145) 3.199 16.406 ( -0.000 -0.244 -4.211) 4.218 18.643 ( 0.000 0.365 12.447) 12.453 18.854 ( 0.000 0.410 -8.989) 8.999 19.187 ( 0.000 0.935 11.810) 11.847 19.385 ( 0.000 1.106 -8.517) 8.589 20.022 ( 0.000 6.659 24.341) 25.235 20.247 ( -0.000 -2.572 27.414) 27.534 20.365 ( 0.000 5.595 -10.632) 12.014 20.679 ( -0.000 -1.767 -13.892) 14.003 20.942 ( -0.000 -5.789 4.340) 7.235 21.014 ( 0.000 0.770 -2.809) 2.913 21.042 ( 0.000 1.176 -3.604) 3.791 21.092 ( -0.000 -6.845 -10.510) 12.543 25.447 ( 0.000 0.132 3.222) 3.224 25.515 ( 0.000 0.411 -3.655) 3.678 30.405 ( 0.000 2.902 1.810) 3.421 30.441 ( 0.000 2.823 -1.799) 3.347 38.642 ( 0.000 4.812 10.913) 11.927 38.838 ( 0.000 4.699 -8.665) 9.857 39.254 ( 0.000 0.669 8.227) 8.254 39.421 ( -0.000 -1.077 -8.479) 8.547 39.477 ( -0.000 -7.946 11.048) 13.609 39.766 ( -0.000 -6.958 -18.809) 20.055 41.425 ( 0.000 4.001 0.228) 4.008 41.467 ( 0.000 2.206 -4.029) 4.593 =================== 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 3/31752 10.0 238.773 339.062 276.349 0.000 0.000 -0.000 3/31752 20.0 95.305 105.702 94.418 0.000 0.000 -0.000 3/31752 30.0 46.810 50.834 52.025 0.000 0.000 -0.000 3/31752 40.0 28.725 31.193 33.818 0.000 0.000 -0.000 3/31752 50.0 20.448 22.213 24.328 0.000 0.000 -0.000 3/31752 60.0 15.845 17.236 18.798 0.000 0.000 -0.000 3/31752 70.0 12.928 14.091 15.274 0.000 0.000 -0.000 3/31752 80.0 10.914 11.920 12.865 0.000 0.000 -0.000 3/31752 90.0 9.442 10.330 11.124 0.000 0.000 -0.000 3/31752 100.0 8.321 9.115 9.811 0.000 0.000 -0.000 3/31752 110.0 7.441 8.157 8.788 0.000 0.000 -0.000 3/31752 120.0 6.733 7.382 7.969 0.000 0.000 -0.000 3/31752 130.0 6.151 6.743 7.300 0.000 0.000 -0.000 3/31752 140.0 5.665 6.206 6.744 0.000 0.000 -0.000 3/31752 150.0 5.254 5.750 6.274 0.000 0.000 -0.000 3/31752 160.0 4.901 5.358 5.873 0.000 0.000 -0.000 3/31752 170.0 4.594 5.016 5.527 0.000 0.000 -0.000 3/31752 180.0 4.326 4.717 5.225 0.000 0.000 -0.000 3/31752 190.0 4.089 4.452 4.958 0.000 0.000 -0.000 3/31752 200.0 3.879 4.216 4.722 0.000 0.000 -0.000 3/31752 210.0 3.690 4.005 4.510 0.000 0.000 -0.000 3/31752 220.0 3.520 3.814 4.319 0.000 0.000 -0.000 3/31752 230.0 3.365 3.641 4.146 0.000 0.000 -0.000 3/31752 240.0 3.225 3.484 3.989 0.000 0.000 -0.000 3/31752 250.0 3.096 3.340 3.844 0.000 0.000 -0.000 3/31752 260.0 2.978 3.208 3.711 0.000 0.000 -0.000 3/31752 270.0 2.868 3.086 3.588 0.000 0.000 -0.000 3/31752 280.0 2.767 2.973 3.474 0.000 0.000 -0.000 3/31752 290.0 2.673 2.869 3.368 0.000 0.000 -0.000 3/31752 300.0 2.586 2.772 3.269 0.000 0.000 -0.000 3/31752 310.0 2.504 2.681 3.176 0.000 0.000 -0.000 3/31752 320.0 2.428 2.597 3.089 0.000 0.000 -0.000 3/31752 330.0 2.356 2.517 3.006 0.000 0.000 -0.000 3/31752 340.0 2.289 2.443 2.929 0.000 0.000 -0.000 3/31752 350.0 2.225 2.373 2.855 0.000 0.000 -0.000 3/31752 360.0 2.165 2.307 2.786 0.000 0.000 -0.000 3/31752 370.0 2.109 2.245 2.720 0.000 0.000 -0.000 3/31752 380.0 2.055 2.186 2.657 0.000 0.000 -0.000 3/31752 390.0 2.004 2.130 2.598 0.000 0.000 -0.000 3/31752 400.0 1.955 2.077 2.541 0.000 0.000 -0.000 3/31752 410.0 1.909 2.027 2.486 0.000 0.000 -0.000 3/31752 420.0 1.866 1.979 2.434 0.000 0.000 -0.000 3/31752 430.0 1.824 1.933 2.385 0.000 0.000 -0.000 3/31752 440.0 1.784 1.890 2.337 0.000 0.000 -0.000 3/31752 450.0 1.746 1.848 2.292 0.000 0.000 -0.000 3/31752 460.0 1.709 1.809 2.248 0.000 0.000 -0.000 3/31752 470.0 1.674 1.771 2.206 0.000 0.000 -0.000 3/31752 480.0 1.641 1.734 2.165 0.000 0.000 -0.000 3/31752 490.0 1.608 1.700 2.126 0.000 0.000 -0.000 3/31752 500.0 1.577 1.666 2.089 0.000 0.000 -0.000 3/31752 510.0 1.548 1.634 2.053 0.000 0.000 -0.000 3/31752 520.0 1.519 1.603 2.018 0.000 0.000 -0.000 3/31752 530.0 1.492 1.573 1.984 0.000 0.000 -0.000 3/31752 540.0 1.465 1.545 1.952 0.000 0.000 -0.000 3/31752 550.0 1.440 1.517 1.920 0.000 0.000 -0.000 3/31752 560.0 1.415 1.491 1.890 0.000 0.000 -0.000 3/31752 570.0 1.391 1.465 1.860 0.000 0.000 -0.000 3/31752 580.0 1.368 1.441 1.832 0.000 0.000 -0.000 3/31752 590.0 1.346 1.417 1.804 0.000 0.000 -0.000 3/31752 600.0 1.324 1.394 1.777 0.000 0.000 -0.000 3/31752 610.0 1.303 1.371 1.751 0.000 0.000 -0.000 3/31752 620.0 1.283 1.350 1.726 0.000 0.000 -0.000 3/31752 630.0 1.264 1.329 1.702 0.000 0.000 -0.000 3/31752 640.0 1.245 1.309 1.678 0.000 0.000 -0.000 3/31752 650.0 1.226 1.289 1.655 0.000 0.000 -0.000 3/31752 660.0 1.209 1.270 1.632 0.000 0.000 -0.000 3/31752 670.0 1.191 1.251 1.611 0.000 0.000 -0.000 3/31752 680.0 1.175 1.233 1.589 0.000 0.000 -0.000 3/31752 690.0 1.158 1.216 1.569 0.000 0.000 -0.000 3/31752 700.0 1.142 1.199 1.549 0.000 0.000 -0.000 3/31752 710.0 1.127 1.183 1.529 0.000 0.000 -0.000 3/31752 720.0 1.112 1.167 1.510 0.000 0.000 -0.000 3/31752 730.0 1.097 1.151 1.491 0.000 0.000 -0.000 3/31752 740.0 1.083 1.136 1.473 0.000 0.000 -0.000 3/31752 750.0 1.069 1.121 1.455 0.000 0.000 -0.000 3/31752 760.0 1.056 1.107 1.438 0.000 0.000 -0.000 3/31752 770.0 1.043 1.093 1.421 0.000 0.000 -0.000 3/31752 780.0 1.030 1.079 1.405 0.000 0.000 -0.000 3/31752 790.0 1.017 1.066 1.388 0.000 0.000 -0.000 3/31752 800.0 1.005 1.053 1.373 0.000 0.000 -0.000 3/31752 810.0 0.993 1.040 1.357 0.000 0.000 -0.000 3/31752 820.0 0.981 1.028 1.342 0.000 0.000 -0.000 3/31752 830.0 0.970 1.016 1.328 0.000 0.000 -0.000 3/31752 840.0 0.959 1.004 1.313 0.000 0.000 -0.000 3/31752 850.0 0.948 0.993 1.299 0.000 0.000 -0.000 3/31752 860.0 0.938 0.982 1.285 0.000 0.000 -0.000 3/31752 870.0 0.927 0.971 1.272 0.000 0.000 -0.000 3/31752 880.0 0.917 0.960 1.259 0.000 0.000 -0.000 3/31752 890.0 0.907 0.949 1.246 0.000 0.000 -0.000 3/31752 900.0 0.898 0.939 1.233 0.000 0.000 -0.000 3/31752 910.0 0.888 0.929 1.221 0.000 0.000 -0.000 3/31752 920.0 0.879 0.919 1.209 0.000 0.000 -0.000 3/31752 930.0 0.870 0.910 1.197 0.000 0.000 -0.000 3/31752 940.0 0.861 0.900 1.185 0.000 0.000 -0.000 3/31752 950.0 0.852 0.891 1.174 0.000 0.000 -0.000 3/31752 960.0 0.844 0.882 1.163 0.000 0.000 -0.000 3/31752 970.0 0.835 0.873 1.152 0.000 0.000 -0.000 3/31752 980.0 0.827 0.864 1.141 0.000 0.000 -0.000 3/31752 990.0 0.819 0.856 1.130 0.000 0.000 -0.000 3/31752 1000.0 0.811 0.848 1.120 0.000 0.000 -0.000 3/31752 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:25:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|