----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:36:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.549775410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134307689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): *1 Ba 0.00692437134591 0.25000000000000 0.81722046132412 137.327 2 Ba 0.49307562865409 0.75000000000000 0.31722046132412 137.327 3 Ba 0.99307562865410 0.75000000000000 0.18277953867588 137.327 4 Ba 0.50692437134590 0.25000000000000 0.68277953867588 137.327 *5 Bi 0.30909635080282 0.75000000000000 0.93755636621368 208.980 6 Bi 0.69090364919718 0.25000000000000 0.06244363378631 208.980 7 Bi 0.19090364919718 0.25000000000000 0.43755636621368 208.980 8 Bi 0.80909635080282 0.75000000000000 0.56244363378632 208.980 *9 B 0.19971553160881 0.75000000000000 0.55910963709072 10.811 10 B 0.80028446839119 0.25000000000000 0.44089036290928 10.811 11 B 0.30028446839119 0.25000000000000 0.05910963709072 10.811 12 B 0.69971553160881 0.75000000000000 0.94089036290928 10.811 *13 O 0.70623389993151 0.98741607465854 0.87468441572190 15.999 *14 O 0.81523595231846 0.25000000000000 0.58445020872047 15.999 15 O 0.79376610006849 0.01258392534146 0.37468441572190 15.999 16 O 0.70623389993151 0.51258392534146 0.87468441572190 15.999 17 O 0.79376610006849 0.48741607465854 0.37468441572190 15.999 *18 O 0.57302264327210 0.75000000000000 0.58615554659249 15.999 19 O 0.68476404768154 0.75000000000000 0.08445020872047 15.999 20 O 0.18476404768154 0.75000000000000 0.41554979127953 15.999 21 O 0.29376610006849 0.01258392534146 0.12531558427810 15.999 22 O 0.20623389993151 0.51258392534146 0.62531558427810 15.999 23 O 0.07302264327210 0.75000000000000 0.91384445340751 15.999 24 O 0.92697735672790 0.25000000000000 0.08615554659249 15.999 25 O 0.20623389993151 0.98741607465854 0.62531558427810 15.999 26 O 0.42697735672790 0.25000000000000 0.41384445340751 15.999 27 O 0.29376610006849 0.48741607465854 0.12531558427810 15.999 28 O 0.31523595231846 0.25000000000000 0.91554979127953 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.549775410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134307689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): *1 Ba 0.00692437134591 0.25000000000000 0.81722046132412 137.327 > 1 2 Ba 0.49307562865409 0.75000000000000 0.31722046132412 137.327 > 2 3 Ba 0.99307562865410 0.75000000000000 0.18277953867588 137.327 > 3 4 Ba 0.50692437134590 0.25000000000000 0.68277953867588 137.327 > 4 *5 Bi 0.30909635080282 0.75000000000000 0.93755636621368 208.980 > 5 6 Bi 0.69090364919718 0.25000000000000 0.06244363378631 208.980 > 6 7 Bi 0.19090364919718 0.25000000000000 0.43755636621368 208.980 > 7 8 Bi 0.80909635080282 0.75000000000000 0.56244363378632 208.980 > 8 *9 B 0.19971553160881 0.75000000000000 0.55910963709072 10.811 > 9 10 B 0.80028446839119 0.25000000000000 0.44089036290928 10.811 > 10 11 B 0.30028446839119 0.25000000000000 0.05910963709072 10.811 > 11 12 B 0.69971553160881 0.75000000000000 0.94089036290928 10.811 > 12 *13 O 0.70623389993151 0.98741607465854 0.87468441572190 15.999 > 13 *14 O 0.81523595231846 0.25000000000000 0.58445020872047 15.999 > 14 15 O 0.79376610006849 0.01258392534146 0.37468441572190 15.999 > 15 16 O 0.70623389993151 0.51258392534146 0.87468441572190 15.999 > 16 17 O 0.79376610006849 0.48741607465854 0.37468441572190 15.999 > 17 *18 O 0.57302264327210 0.75000000000000 0.58615554659249 15.999 > 18 19 O 0.68476404768154 0.75000000000000 0.08445020872047 15.999 > 19 20 O 0.18476404768154 0.75000000000000 0.41554979127953 15.999 > 20 21 O 0.29376610006849 0.01258392534146 0.12531558427810 15.999 > 21 22 O 0.20623389993151 0.51258392534146 0.62531558427810 15.999 > 22 23 O 0.07302264327210 0.75000000000000 0.91384445340751 15.999 > 23 24 O 0.92697735672790 0.25000000000000 0.08615554659249 15.999 > 24 25 O 0.20623389993151 0.98741607465854 0.62531558427810 15.999 > 25 26 O 0.42697735672790 0.25000000000000 0.41384445340751 15.999 > 26 27 O 0.29376610006849 0.48741607465854 0.12531558427810 15.999 > 27 28 O 0.31523595231846 0.25000000000000 0.91554979127953 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.099550820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.268615379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): *1 Ba 0.00346218567295 0.12500000000000 0.81722046132412 137.327 > 1 2 Ba 0.50346218567295 0.12500000000000 0.81722046132412 137.327 > 1 3 Ba 0.00346218567295 0.62500000000000 0.81722046132412 137.327 > 1 4 Ba 0.50346218567295 0.62500000000000 0.81722046132412 137.327 > 1 5 Ba 0.24653781432705 0.37500000000000 0.31722046132412 137.327 > 2 6 Ba 0.74653781432705 0.37500000000000 0.31722046132412 137.327 > 2 7 Ba 0.24653781432705 0.87500000000000 0.31722046132412 137.327 > 2 8 Ba 0.74653781432705 0.87500000000000 0.31722046132412 137.327 > 2 9 Ba 0.49653781432705 0.37500000000000 0.18277953867588 137.327 > 3 10 Ba 0.99653781432705 0.37500000000000 0.18277953867588 137.327 > 3 11 Ba 0.49653781432705 0.87500000000000 0.18277953867588 137.327 > 3 12 Ba 0.99653781432705 0.87500000000000 0.18277953867588 137.327 > 3 13 Ba 0.25346218567295 0.12500000000000 0.68277953867588 137.327 > 4 14 Ba 0.75346218567295 0.12500000000000 0.68277953867588 137.327 > 4 15 Ba 0.25346218567295 0.62500000000000 0.68277953867588 137.327 > 4 16 Ba 0.75346218567295 0.62500000000000 0.68277953867588 137.327 > 4 *17 Bi 0.15454817540141 0.37500000000000 0.93755636621368 208.980 > 5 18 Bi 0.65454817540141 0.37500000000000 0.93755636621368 208.980 > 5 19 Bi 0.15454817540141 0.87500000000000 0.93755636621368 208.980 > 5 20 Bi 0.65454817540141 0.87500000000000 0.93755636621368 208.980 > 5 21 Bi 0.34545182459859 0.12500000000000 0.06244363378631 208.980 > 6 22 Bi 0.84545182459859 0.12500000000000 0.06244363378631 208.980 > 6 23 Bi 0.34545182459859 0.62500000000000 0.06244363378631 208.980 > 6 24 Bi 0.84545182459859 0.62500000000000 0.06244363378631 208.980 > 6 25 Bi 0.09545182459859 0.12500000000000 0.43755636621368 208.980 > 7 26 Bi 0.59545182459859 0.12500000000000 0.43755636621368 208.980 > 7 27 Bi 0.09545182459859 0.62500000000000 0.43755636621368 208.980 > 7 28 Bi 0.59545182459859 0.62500000000000 0.43755636621368 208.980 > 7 29 Bi 0.40454817540141 0.37500000000000 0.56244363378632 208.980 > 8 30 Bi 0.90454817540141 0.37500000000000 0.56244363378632 208.980 > 8 31 Bi 0.40454817540141 0.87500000000000 0.56244363378632 208.980 > 8 32 Bi 0.90454817540141 0.87500000000000 0.56244363378632 208.980 > 8 *33 B 0.09985776580441 0.37500000000000 0.55910963709072 10.811 > 9 34 B 0.59985776580441 0.37500000000000 0.55910963709072 10.811 > 9 35 B 0.09985776580441 0.87500000000000 0.55910963709072 10.811 > 9 36 B 0.59985776580441 0.87500000000000 0.55910963709072 10.811 > 9 37 B 0.40014223419559 0.12500000000000 0.44089036290928 10.811 > 10 38 B 0.90014223419559 0.12500000000000 0.44089036290928 10.811 > 10 39 B 0.40014223419559 0.62500000000000 0.44089036290928 10.811 > 10 40 B 0.90014223419559 0.62500000000000 0.44089036290928 10.811 > 10 41 B 0.15014223419559 0.12500000000000 0.05910963709072 10.811 > 11 42 B 0.65014223419559 0.12500000000000 0.05910963709072 10.811 > 11 43 B 0.15014223419559 0.62500000000000 0.05910963709072 10.811 > 11 44 B 0.65014223419559 0.62500000000000 0.05910963709072 10.811 > 11 45 B 0.34985776580441 0.37500000000000 0.94089036290928 10.811 > 12 46 B 0.84985776580441 0.37500000000000 0.94089036290928 10.811 > 12 47 B 0.34985776580441 0.87500000000000 0.94089036290928 10.811 > 12 48 B 0.84985776580441 0.87500000000000 0.94089036290928 10.811 > 12 *49 O 0.35311694996576 0.49370803732927 0.87468441572190 15.999 > 13 50 O 0.85311694996576 0.49370803732927 0.87468441572190 15.999 > 13 51 O 0.35311694996576 0.99370803732927 0.87468441572190 15.999 > 13 52 O 0.85311694996576 0.99370803732927 0.87468441572190 15.999 > 13 *53 O 0.40761797615923 0.12500000000000 0.58445020872047 15.999 > 14 54 O 0.90761797615923 0.12500000000000 0.58445020872047 15.999 > 14 55 O 0.40761797615923 0.62500000000000 0.58445020872047 15.999 > 14 56 O 0.90761797615923 0.62500000000000 0.58445020872047 15.999 > 14 57 O 0.39688305003424 0.00629196267073 0.37468441572190 15.999 > 15 58 O 0.89688305003424 0.00629196267073 0.37468441572190 15.999 > 15 59 O 0.39688305003424 0.50629196267073 0.37468441572190 15.999 > 15 60 O 0.89688305003424 0.50629196267073 0.37468441572190 15.999 > 15 61 O 0.35311694996576 0.25629196267073 0.87468441572190 15.999 > 16 62 O 0.85311694996576 0.25629196267073 0.87468441572190 15.999 > 16 63 O 0.35311694996576 0.75629196267073 0.87468441572190 15.999 > 16 64 O 0.85311694996576 0.75629196267073 0.87468441572190 15.999 > 16 65 O 0.39688305003424 0.24370803732927 0.37468441572190 15.999 > 17 66 O 0.89688305003424 0.24370803732927 0.37468441572190 15.999 > 17 67 O 0.39688305003424 0.74370803732927 0.37468441572190 15.999 > 17 68 O 0.89688305003424 0.74370803732927 0.37468441572190 15.999 > 17 *69 O 0.28651132163605 0.37500000000000 0.58615554659249 15.999 > 18 70 O 0.78651132163605 0.37500000000000 0.58615554659249 15.999 > 18 71 O 0.28651132163605 0.87500000000000 0.58615554659249 15.999 > 18 72 O 0.78651132163605 0.87500000000000 0.58615554659249 15.999 > 18 73 O 0.34238202384077 0.37500000000000 0.08445020872047 15.999 > 19 74 O 0.84238202384077 0.37500000000000 0.08445020872047 15.999 > 19 75 O 0.34238202384077 0.87500000000000 0.08445020872047 15.999 > 19 76 O 0.84238202384077 0.87500000000000 0.08445020872047 15.999 > 19 77 O 0.09238202384077 0.37500000000000 0.41554979127953 15.999 > 20 78 O 0.59238202384077 0.37500000000000 0.41554979127953 15.999 > 20 79 O 0.09238202384077 0.87500000000000 0.41554979127953 15.999 > 20 80 O 0.59238202384077 0.87500000000000 0.41554979127953 15.999 > 20 81 O 0.14688305003424 0.00629196267073 0.12531558427810 15.999 > 21 82 O 0.64688305003424 0.00629196267073 0.12531558427810 15.999 > 21 83 O 0.14688305003424 0.50629196267073 0.12531558427810 15.999 > 21 84 O 0.64688305003424 0.50629196267073 0.12531558427810 15.999 > 21 85 O 0.10311694996576 0.25629196267073 0.62531558427810 15.999 > 22 86 O 0.60311694996576 0.25629196267073 0.62531558427810 15.999 > 22 87 O 0.10311694996576 0.75629196267073 0.62531558427810 15.999 > 22 88 O 0.60311694996576 0.75629196267073 0.62531558427810 15.999 > 22 89 O 0.03651132163605 0.37500000000000 0.91384445340751 15.999 > 23 90 O 0.53651132163605 0.37500000000000 0.91384445340751 15.999 > 23 91 O 0.03651132163605 0.87500000000000 0.91384445340751 15.999 > 23 92 O 0.53651132163605 0.87500000000000 0.91384445340751 15.999 > 23 93 O 0.46348867836395 0.12500000000000 0.08615554659249 15.999 > 24 94 O 0.96348867836395 0.12500000000000 0.08615554659249 15.999 > 24 95 O 0.46348867836395 0.62500000000000 0.08615554659249 15.999 > 24 96 O 0.96348867836395 0.62500000000000 0.08615554659249 15.999 > 24 97 O 0.10311694996576 0.49370803732927 0.62531558427810 15.999 > 25 98 O 0.60311694996576 0.49370803732927 0.62531558427810 15.999 > 25 99 O 0.10311694996576 0.99370803732927 0.62531558427810 15.999 > 25 100 O 0.60311694996576 0.99370803732927 0.62531558427810 15.999 > 25 101 O 0.21348867836395 0.12500000000000 0.41384445340751 15.999 > 26 102 O 0.71348867836395 0.12500000000000 0.41384445340751 15.999 > 26 103 O 0.21348867836395 0.62500000000000 0.41384445340751 15.999 > 26 104 O 0.71348867836395 0.62500000000000 0.41384445340751 15.999 > 26 105 O 0.14688305003424 0.24370803732927 0.12531558427810 15.999 > 27 106 O 0.64688305003424 0.24370803732927 0.12531558427810 15.999 > 27 107 O 0.14688305003424 0.74370803732927 0.12531558427810 15.999 > 27 108 O 0.64688305003424 0.74370803732927 0.12531558427810 15.999 > 27 109 O 0.15761797615923 0.12500000000000 0.91554979127953 15.999 > 28 110 O 0.65761797615923 0.12500000000000 0.91554979127953 15.999 > 28 111 O 0.15761797615923 0.62500000000000 0.91554979127953 15.999 > 28 112 O 0.65761797615923 0.62500000000000 0.91554979127953 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8953474 0.0000000 0.0000000 0.0000000 4.9695610 0.0000000 0.0000000 0.0000000 3.9031395 -------------------------- Born effective charges -------------------------- 1 Ba 2.7187607 0.0000000 -0.1443912 0.0000000 2.5696874 0.0000000 -0.2110891 0.0000000 2.9462910 2 Ba 2.7187607 0.0000000 0.1443912 0.0000000 2.5696874 0.0000000 0.2110891 0.0000000 2.9462910 3 Ba 2.7187607 0.0000000 -0.1443912 0.0000000 2.5696874 0.0000000 -0.2110891 0.0000000 2.9462910 4 Ba 2.7187607 0.0000000 0.1443912 0.0000000 2.5696874 0.0000000 0.2110891 0.0000000 2.9462910 5 Bi 2.7455958 0.0000000 0.2717785 0.0000000 4.9934630 0.0000000 0.4096279 0.0000000 2.8198718 6 Bi 2.7455958 0.0000000 0.2717785 0.0000000 4.9934630 0.0000000 0.4096279 0.0000000 2.8198718 7 Bi 2.7455958 0.0000000 -0.2717785 0.0000000 4.9934630 0.0000000 -0.4096279 0.0000000 2.8198718 8 Bi 2.7455958 0.0000000 -0.2717785 0.0000000 4.9934630 0.0000000 -0.4096279 0.0000000 2.8198718 9 B 0.7825614 0.0000000 0.1749116 0.0000000 3.2517268 0.0000000 0.0729255 0.0000000 1.5967206 10 B 0.7825614 0.0000000 0.1749116 0.0000000 3.2517268 0.0000000 0.0729255 0.0000000 1.5967206 11 B 0.7825614 0.0000000 -0.1749116 0.0000000 3.2517268 0.0000000 -0.0729255 0.0000000 1.5967206 12 B 0.7825614 0.0000000 -0.1749116 0.0000000 3.2517268 0.0000000 -0.0729255 0.0000000 1.5967206 13 O -1.1898337 -0.1115898 -0.0774258 0.0061833 -2.8240559 -0.0384269 0.0805597 -0.0070510 -1.8888220 14 O -1.3293025 0.0000000 -0.1074913 0.0000000 -3.3654295 0.0000000 -0.0571202 0.0000000 -1.9654883 15 O -1.1898337 -0.1115898 0.0774258 0.0061833 -2.8240559 0.0384269 -0.0805597 0.0070510 -1.8888220 16 O -1.1898337 0.1115898 -0.0774258 -0.0061833 -2.8240559 0.0384269 0.0805597 0.0070510 -1.8888220 17 O -1.1898337 0.1115898 0.0774258 -0.0061833 -2.8240559 -0.0384269 -0.0805597 -0.0070510 -1.8888220 18 O -2.5379480 0.0000000 -0.0851476 0.0000000 -1.8013358 0.0000000 0.2852443 0.0000000 -1.6197512 19 O -1.3293025 0.0000000 0.1074913 0.0000000 -3.3654295 0.0000000 0.0571202 0.0000000 -1.9654883 20 O -1.3293025 0.0000000 -0.1074913 0.0000000 -3.3654295 0.0000000 -0.0571202 0.0000000 -1.9654883 21 O -1.1898337 -0.1115898 -0.0774258 0.0061833 -2.8240559 -0.0384269 0.0805597 -0.0070510 -1.8888220 22 O -1.1898337 0.1115898 0.0774258 -0.0061833 -2.8240559 -0.0384269 -0.0805597 -0.0070510 -1.8888220 23 O -2.5379480 0.0000000 0.0851476 0.0000000 -1.8013358 0.0000000 -0.2852443 0.0000000 -1.6197512 24 O -2.5379480 0.0000000 0.0851476 0.0000000 -1.8013358 0.0000000 -0.2852443 0.0000000 -1.6197512 25 O -1.1898337 -0.1115898 0.0774258 0.0061833 -2.8240559 0.0384269 -0.0805597 0.0070510 -1.8888220 26 O -2.5379480 0.0000000 -0.0851476 0.0000000 -1.8013358 0.0000000 0.2852443 0.0000000 -1.6197512 27 O -1.1898337 0.1115898 -0.0774258 -0.0061833 -2.8240559 0.0384269 0.0805597 0.0070510 -1.8888220 28 O -1.3293025 0.0000000 0.1074913 0.0000000 -3.3654295 0.0000000 0.0571202 0.0000000 -1.9654883 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.244 Solver_block: 200 / 480 - Time: 3.312 Solver_block: 300 / 480 - Time: 3.324 Solver_block: 400 / 480 - Time: 3.323 Solver_block: 480 / 480 - Time: 2.798 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.306 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:37:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:37:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.549775410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134307689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): 1 Ba 0.00692437134591 0.25000000000000 0.81722046132412 137.327 2 Ba 0.49307562865409 0.75000000000000 0.31722046132412 137.327 3 Ba 0.99307562865410 0.75000000000000 0.18277953867588 137.327 4 Ba 0.50692437134590 0.25000000000000 0.68277953867588 137.327 5 Bi 0.30909635080282 0.75000000000000 0.93755636621368 208.980 6 Bi 0.69090364919718 0.25000000000000 0.06244363378631 208.980 7 Bi 0.19090364919718 0.25000000000000 0.43755636621368 208.980 8 Bi 0.80909635080282 0.75000000000000 0.56244363378632 208.980 9 B 0.19971553160881 0.75000000000000 0.55910963709072 10.811 10 B 0.80028446839119 0.25000000000000 0.44089036290928 10.811 11 B 0.30028446839119 0.25000000000000 0.05910963709072 10.811 12 B 0.69971553160881 0.75000000000000 0.94089036290928 10.811 13 O 0.70623389993151 0.98741607465854 0.87468441572190 15.999 14 O 0.81523595231846 0.25000000000000 0.58445020872047 15.999 15 O 0.79376610006849 0.01258392534146 0.37468441572190 15.999 16 O 0.70623389993151 0.51258392534146 0.87468441572190 15.999 17 O 0.79376610006849 0.48741607465854 0.37468441572190 15.999 18 O 0.57302264327210 0.75000000000000 0.58615554659249 15.999 19 O 0.68476404768154 0.75000000000000 0.08445020872047 15.999 20 O 0.18476404768154 0.75000000000000 0.41554979127953 15.999 21 O 0.29376610006849 0.01258392534146 0.12531558427810 15.999 22 O 0.20623389993151 0.51258392534146 0.62531558427810 15.999 23 O 0.07302264327210 0.75000000000000 0.91384445340751 15.999 24 O 0.92697735672790 0.25000000000000 0.08615554659249 15.999 25 O 0.20623389993151 0.98741607465854 0.62531558427810 15.999 26 O 0.42697735672790 0.25000000000000 0.41384445340751 15.999 27 O 0.29376610006849 0.48741607465854 0.12531558427810 15.999 28 O 0.31523595231846 0.25000000000000 0.91554979127953 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.099550820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.268615379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): 1 Ba 0.00346218567295 0.12500000000000 0.81722046132412 137.327 > 1 2 Ba 0.50346218567295 0.12500000000000 0.81722046132412 137.327 > 1 3 Ba 0.00346218567295 0.62500000000000 0.81722046132412 137.327 > 1 4 Ba 0.50346218567295 0.62500000000000 0.81722046132412 137.327 > 1 5 Ba 0.24653781432705 0.37500000000000 0.31722046132412 137.327 > 5 6 Ba 0.74653781432705 0.37500000000000 0.31722046132412 137.327 > 5 7 Ba 0.24653781432705 0.87500000000000 0.31722046132412 137.327 > 5 8 Ba 0.74653781432705 0.87500000000000 0.31722046132412 137.327 > 5 9 Ba 0.49653781432705 0.37500000000000 0.18277953867588 137.327 > 9 10 Ba 0.99653781432705 0.37500000000000 0.18277953867588 137.327 > 9 11 Ba 0.49653781432705 0.87500000000000 0.18277953867588 137.327 > 9 12 Ba 0.99653781432705 0.87500000000000 0.18277953867588 137.327 > 9 13 Ba 0.25346218567295 0.12500000000000 0.68277953867588 137.327 > 13 14 Ba 0.75346218567295 0.12500000000000 0.68277953867588 137.327 > 13 15 Ba 0.25346218567295 0.62500000000000 0.68277953867588 137.327 > 13 16 Ba 0.75346218567295 0.62500000000000 0.68277953867588 137.327 > 13 17 Bi 0.15454817540141 0.37500000000000 0.93755636621368 208.980 > 17 18 Bi 0.65454817540141 0.37500000000000 0.93755636621368 208.980 > 17 19 Bi 0.15454817540141 0.87500000000000 0.93755636621368 208.980 > 17 20 Bi 0.65454817540141 0.87500000000000 0.93755636621368 208.980 > 17 21 Bi 0.34545182459859 0.12500000000000 0.06244363378631 208.980 > 21 22 Bi 0.84545182459859 0.12500000000000 0.06244363378631 208.980 > 21 23 Bi 0.34545182459859 0.62500000000000 0.06244363378631 208.980 > 21 24 Bi 0.84545182459859 0.62500000000000 0.06244363378631 208.980 > 21 25 Bi 0.09545182459859 0.12500000000000 0.43755636621368 208.980 > 25 26 Bi 0.59545182459859 0.12500000000000 0.43755636621368 208.980 > 25 27 Bi 0.09545182459859 0.62500000000000 0.43755636621368 208.980 > 25 28 Bi 0.59545182459859 0.62500000000000 0.43755636621368 208.980 > 25 29 Bi 0.40454817540141 0.37500000000000 0.56244363378632 208.980 > 29 30 Bi 0.90454817540141 0.37500000000000 0.56244363378632 208.980 > 29 31 Bi 0.40454817540141 0.87500000000000 0.56244363378632 208.980 > 29 32 Bi 0.90454817540141 0.87500000000000 0.56244363378632 208.980 > 29 33 B 0.09985776580441 0.37500000000000 0.55910963709072 10.811 > 33 34 B 0.59985776580441 0.37500000000000 0.55910963709072 10.811 > 33 35 B 0.09985776580441 0.87500000000000 0.55910963709072 10.811 > 33 36 B 0.59985776580441 0.87500000000000 0.55910963709072 10.811 > 33 37 B 0.40014223419559 0.12500000000000 0.44089036290928 10.811 > 37 38 B 0.90014223419559 0.12500000000000 0.44089036290928 10.811 > 37 39 B 0.40014223419559 0.62500000000000 0.44089036290928 10.811 > 37 40 B 0.90014223419559 0.62500000000000 0.44089036290928 10.811 > 37 41 B 0.15014223419559 0.12500000000000 0.05910963709072 10.811 > 41 42 B 0.65014223419559 0.12500000000000 0.05910963709072 10.811 > 41 43 B 0.15014223419559 0.62500000000000 0.05910963709072 10.811 > 41 44 B 0.65014223419559 0.62500000000000 0.05910963709072 10.811 > 41 45 B 0.34985776580441 0.37500000000000 0.94089036290928 10.811 > 45 46 B 0.84985776580441 0.37500000000000 0.94089036290928 10.811 > 45 47 B 0.34985776580441 0.87500000000000 0.94089036290928 10.811 > 45 48 B 0.84985776580441 0.87500000000000 0.94089036290928 10.811 > 45 49 O 0.35311694996576 0.49370803732927 0.87468441572190 15.999 > 49 50 O 0.85311694996576 0.49370803732927 0.87468441572190 15.999 > 49 51 O 0.35311694996576 0.99370803732927 0.87468441572190 15.999 > 49 52 O 0.85311694996576 0.99370803732927 0.87468441572190 15.999 > 49 53 O 0.40761797615923 0.12500000000000 0.58445020872047 15.999 > 53 54 O 0.90761797615923 0.12500000000000 0.58445020872047 15.999 > 53 55 O 0.40761797615923 0.62500000000000 0.58445020872047 15.999 > 53 56 O 0.90761797615923 0.62500000000000 0.58445020872047 15.999 > 53 57 O 0.39688305003424 0.00629196267073 0.37468441572190 15.999 > 57 58 O 0.89688305003424 0.00629196267073 0.37468441572190 15.999 > 57 59 O 0.39688305003424 0.50629196267073 0.37468441572190 15.999 > 57 60 O 0.89688305003424 0.50629196267073 0.37468441572190 15.999 > 57 61 O 0.35311694996576 0.25629196267073 0.87468441572190 15.999 > 61 62 O 0.85311694996576 0.25629196267073 0.87468441572190 15.999 > 61 63 O 0.35311694996576 0.75629196267073 0.87468441572190 15.999 > 61 64 O 0.85311694996576 0.75629196267073 0.87468441572190 15.999 > 61 65 O 0.39688305003424 0.24370803732927 0.37468441572190 15.999 > 65 66 O 0.89688305003424 0.24370803732927 0.37468441572190 15.999 > 65 67 O 0.39688305003424 0.74370803732927 0.37468441572190 15.999 > 65 68 O 0.89688305003424 0.74370803732927 0.37468441572190 15.999 > 65 69 O 0.28651132163605 0.37500000000000 0.58615554659249 15.999 > 69 70 O 0.78651132163605 0.37500000000000 0.58615554659249 15.999 > 69 71 O 0.28651132163605 0.87500000000000 0.58615554659249 15.999 > 69 72 O 0.78651132163605 0.87500000000000 0.58615554659249 15.999 > 69 73 O 0.34238202384077 0.37500000000000 0.08445020872047 15.999 > 73 74 O 0.84238202384077 0.37500000000000 0.08445020872047 15.999 > 73 75 O 0.34238202384077 0.87500000000000 0.08445020872047 15.999 > 73 76 O 0.84238202384077 0.87500000000000 0.08445020872047 15.999 > 73 77 O 0.09238202384077 0.37500000000000 0.41554979127953 15.999 > 77 78 O 0.59238202384077 0.37500000000000 0.41554979127953 15.999 > 77 79 O 0.09238202384077 0.87500000000000 0.41554979127953 15.999 > 77 80 O 0.59238202384077 0.87500000000000 0.41554979127953 15.999 > 77 81 O 0.14688305003424 0.00629196267073 0.12531558427810 15.999 > 81 82 O 0.64688305003424 0.00629196267073 0.12531558427810 15.999 > 81 83 O 0.14688305003424 0.50629196267073 0.12531558427810 15.999 > 81 84 O 0.64688305003424 0.50629196267073 0.12531558427810 15.999 > 81 85 O 0.10311694996576 0.25629196267073 0.62531558427810 15.999 > 85 86 O 0.60311694996576 0.25629196267073 0.62531558427810 15.999 > 85 87 O 0.10311694996576 0.75629196267073 0.62531558427810 15.999 > 85 88 O 0.60311694996576 0.75629196267073 0.62531558427810 15.999 > 85 89 O 0.03651132163605 0.37500000000000 0.91384445340751 15.999 > 89 90 O 0.53651132163605 0.37500000000000 0.91384445340751 15.999 > 89 91 O 0.03651132163605 0.87500000000000 0.91384445340751 15.999 > 89 92 O 0.53651132163605 0.87500000000000 0.91384445340751 15.999 > 89 93 O 0.46348867836395 0.12500000000000 0.08615554659249 15.999 > 93 94 O 0.96348867836395 0.12500000000000 0.08615554659249 15.999 > 93 95 O 0.46348867836395 0.62500000000000 0.08615554659249 15.999 > 93 96 O 0.96348867836395 0.62500000000000 0.08615554659249 15.999 > 93 97 O 0.10311694996576 0.49370803732927 0.62531558427810 15.999 > 97 98 O 0.60311694996576 0.49370803732927 0.62531558427810 15.999 > 97 99 O 0.10311694996576 0.99370803732927 0.62531558427810 15.999 > 97 100 O 0.60311694996576 0.99370803732927 0.62531558427810 15.999 > 97 101 O 0.21348867836395 0.12500000000000 0.41384445340751 15.999 > 101 102 O 0.71348867836395 0.12500000000000 0.41384445340751 15.999 > 101 103 O 0.21348867836395 0.62500000000000 0.41384445340751 15.999 > 101 104 O 0.71348867836395 0.62500000000000 0.41384445340751 15.999 > 101 105 O 0.14688305003424 0.24370803732927 0.12531558427810 15.999 > 105 106 O 0.64688305003424 0.24370803732927 0.12531558427810 15.999 > 105 107 O 0.14688305003424 0.74370803732927 0.12531558427810 15.999 > 105 108 O 0.64688305003424 0.74370803732927 0.12531558427810 15.999 > 105 109 O 0.15761797615923 0.12500000000000 0.91554979127953 15.999 > 109 110 O 0.65761797615923 0.12500000000000 0.91554979127953 15.999 > 109 111 O 0.15761797615923 0.62500000000000 0.91554979127953 15.999 > 109 112 O 0.65761797615923 0.62500000000000 0.91554979127953 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8953474 0.0000000 0.0000000 0.0000000 4.9695610 0.0000000 0.0000000 0.0000000 3.9031395 -------------------------- Born effective charges -------------------------- 1 Ba 2.7187607 0.0000000 -0.1443912 0.0000000 2.5696874 0.0000000 -0.2110891 0.0000000 2.9462910 2 Ba 2.7187607 0.0000000 0.1443912 0.0000000 2.5696874 0.0000000 0.2110891 0.0000000 2.9462910 3 Ba 2.7187607 0.0000000 -0.1443912 0.0000000 2.5696874 0.0000000 -0.2110891 0.0000000 2.9462910 4 Ba 2.7187607 0.0000000 0.1443912 0.0000000 2.5696874 0.0000000 0.2110891 0.0000000 2.9462910 5 Bi 2.7455958 0.0000000 0.2717785 0.0000000 4.9934630 0.0000000 0.4096279 0.0000000 2.8198718 6 Bi 2.7455958 0.0000000 0.2717785 0.0000000 4.9934630 0.0000000 0.4096279 0.0000000 2.8198718 7 Bi 2.7455958 0.0000000 -0.2717785 0.0000000 4.9934630 0.0000000 -0.4096279 0.0000000 2.8198718 8 Bi 2.7455958 0.0000000 -0.2717785 0.0000000 4.9934630 0.0000000 -0.4096279 0.0000000 2.8198718 9 B 0.7825614 0.0000000 0.1749116 0.0000000 3.2517268 0.0000000 0.0729255 0.0000000 1.5967206 10 B 0.7825614 0.0000000 0.1749116 0.0000000 3.2517268 0.0000000 0.0729255 0.0000000 1.5967206 11 B 0.7825614 0.0000000 -0.1749116 0.0000000 3.2517268 0.0000000 -0.0729255 0.0000000 1.5967206 12 B 0.7825614 0.0000000 -0.1749116 0.0000000 3.2517268 0.0000000 -0.0729255 0.0000000 1.5967206 13 O -1.1898337 -0.1115898 -0.0774258 0.0061833 -2.8240559 -0.0384269 0.0805597 -0.0070510 -1.8888220 14 O -1.3293025 0.0000000 -0.1074913 0.0000000 -3.3654295 0.0000000 -0.0571202 0.0000000 -1.9654883 15 O -1.1898337 -0.1115898 0.0774258 0.0061833 -2.8240559 0.0384269 -0.0805597 0.0070510 -1.8888220 16 O -1.1898337 0.1115898 -0.0774258 -0.0061833 -2.8240559 0.0384269 0.0805597 0.0070510 -1.8888220 17 O -1.1898337 0.1115898 0.0774258 -0.0061833 -2.8240559 -0.0384269 -0.0805597 -0.0070510 -1.8888220 18 O -2.5379480 0.0000000 -0.0851476 0.0000000 -1.8013358 0.0000000 0.2852443 0.0000000 -1.6197512 19 O -1.3293025 0.0000000 0.1074913 0.0000000 -3.3654295 0.0000000 0.0571202 0.0000000 -1.9654883 20 O -1.3293025 0.0000000 -0.1074913 0.0000000 -3.3654295 0.0000000 -0.0571202 0.0000000 -1.9654883 21 O -1.1898337 -0.1115898 -0.0774258 0.0061833 -2.8240559 -0.0384269 0.0805597 -0.0070510 -1.8888220 22 O -1.1898337 0.1115898 0.0774258 -0.0061833 -2.8240559 -0.0384269 -0.0805597 -0.0070510 -1.8888220 23 O -2.5379480 0.0000000 0.0851476 0.0000000 -1.8013358 0.0000000 -0.2852443 0.0000000 -1.6197512 24 O -2.5379480 0.0000000 0.0851476 0.0000000 -1.8013358 0.0000000 -0.2852443 0.0000000 -1.6197512 25 O -1.1898337 -0.1115898 0.0774258 0.0061833 -2.8240559 0.0384269 -0.0805597 0.0070510 -1.8888220 26 O -2.5379480 0.0000000 -0.0851476 0.0000000 -1.8013358 0.0000000 0.2852443 0.0000000 -1.6197512 27 O -1.1898337 0.1115898 -0.0774258 -0.0061833 -2.8240559 0.0384269 0.0805597 0.0070510 -1.8888220 28 O -1.3293025 0.0000000 0.1074913 0.0000000 -3.3654295 0.0000000 0.0571202 0.0000000 -1.9654883 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 69, 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: 0.00000008 (yzy) 0.00000008 (yzy) 0.00000008 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yz) -0.00000002 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:37:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:37:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.549775410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134307689999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): 1 Ba 0.00692437134591 0.25000000000000 0.81722046132412 137.327 2 Ba 0.49307562865409 0.75000000000000 0.31722046132412 137.327 3 Ba 0.99307562865410 0.75000000000000 0.18277953867588 137.327 4 Ba 0.50692437134590 0.25000000000000 0.68277953867588 137.327 5 Bi 0.30909635080282 0.75000000000000 0.93755636621368 208.980 6 Bi 0.69090364919718 0.25000000000000 0.06244363378631 208.980 7 Bi 0.19090364919718 0.25000000000000 0.43755636621368 208.980 8 Bi 0.80909635080282 0.75000000000000 0.56244363378632 208.980 9 B 0.19971553160881 0.75000000000000 0.55910963709072 10.811 10 B 0.80028446839119 0.25000000000000 0.44089036290928 10.811 11 B 0.30028446839119 0.25000000000000 0.05910963709072 10.811 12 B 0.69971553160881 0.75000000000000 0.94089036290928 10.811 13 O 0.70623389993151 0.98741607465854 0.87468441572190 15.999 14 O 0.81523595231846 0.25000000000000 0.58445020872047 15.999 15 O 0.79376610006849 0.01258392534146 0.37468441572190 15.999 16 O 0.70623389993151 0.51258392534146 0.87468441572190 15.999 17 O 0.79376610006849 0.48741607465854 0.37468441572190 15.999 18 O 0.57302264327210 0.75000000000000 0.58615554659249 15.999 19 O 0.68476404768154 0.75000000000000 0.08445020872047 15.999 20 O 0.18476404768154 0.75000000000000 0.41554979127953 15.999 21 O 0.29376610006849 0.01258392534146 0.12531558427810 15.999 22 O 0.20623389993151 0.51258392534146 0.62531558427810 15.999 23 O 0.07302264327210 0.75000000000000 0.91384445340751 15.999 24 O 0.92697735672790 0.25000000000000 0.08615554659249 15.999 25 O 0.20623389993151 0.98741607465854 0.62531558427810 15.999 26 O 0.42697735672790 0.25000000000000 0.41384445340751 15.999 27 O 0.29376610006849 0.48741607465854 0.12531558427810 15.999 28 O 0.31523595231846 0.25000000000000 0.91554979127953 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.099550820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.268615379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.689256589999999 Atomic positions (fractional): 1 Ba 0.00346218567295 0.12500000000000 0.81722046132412 137.327 > 1 2 Ba 0.50346218567295 0.12500000000000 0.81722046132412 137.327 > 1 3 Ba 0.00346218567295 0.62500000000000 0.81722046132412 137.327 > 1 4 Ba 0.50346218567295 0.62500000000000 0.81722046132412 137.327 > 1 5 Ba 0.24653781432705 0.37500000000000 0.31722046132412 137.327 > 5 6 Ba 0.74653781432705 0.37500000000000 0.31722046132412 137.327 > 5 7 Ba 0.24653781432705 0.87500000000000 0.31722046132412 137.327 > 5 8 Ba 0.74653781432705 0.87500000000000 0.31722046132412 137.327 > 5 9 Ba 0.49653781432705 0.37500000000000 0.18277953867588 137.327 > 9 10 Ba 0.99653781432705 0.37500000000000 0.18277953867588 137.327 > 9 11 Ba 0.49653781432705 0.87500000000000 0.18277953867588 137.327 > 9 12 Ba 0.99653781432705 0.87500000000000 0.18277953867588 137.327 > 9 13 Ba 0.25346218567295 0.12500000000000 0.68277953867588 137.327 > 13 14 Ba 0.75346218567295 0.12500000000000 0.68277953867588 137.327 > 13 15 Ba 0.25346218567295 0.62500000000000 0.68277953867588 137.327 > 13 16 Ba 0.75346218567295 0.62500000000000 0.68277953867588 137.327 > 13 17 Bi 0.15454817540141 0.37500000000000 0.93755636621368 208.980 > 17 18 Bi 0.65454817540141 0.37500000000000 0.93755636621368 208.980 > 17 19 Bi 0.15454817540141 0.87500000000000 0.93755636621368 208.980 > 17 20 Bi 0.65454817540141 0.87500000000000 0.93755636621368 208.980 > 17 21 Bi 0.34545182459859 0.12500000000000 0.06244363378631 208.980 > 21 22 Bi 0.84545182459859 0.12500000000000 0.06244363378631 208.980 > 21 23 Bi 0.34545182459859 0.62500000000000 0.06244363378631 208.980 > 21 24 Bi 0.84545182459859 0.62500000000000 0.06244363378631 208.980 > 21 25 Bi 0.09545182459859 0.12500000000000 0.43755636621368 208.980 > 25 26 Bi 0.59545182459859 0.12500000000000 0.43755636621368 208.980 > 25 27 Bi 0.09545182459859 0.62500000000000 0.43755636621368 208.980 > 25 28 Bi 0.59545182459859 0.62500000000000 0.43755636621368 208.980 > 25 29 Bi 0.40454817540141 0.37500000000000 0.56244363378632 208.980 > 29 30 Bi 0.90454817540141 0.37500000000000 0.56244363378632 208.980 > 29 31 Bi 0.40454817540141 0.87500000000000 0.56244363378632 208.980 > 29 32 Bi 0.90454817540141 0.87500000000000 0.56244363378632 208.980 > 29 33 B 0.09985776580441 0.37500000000000 0.55910963709072 10.811 > 33 34 B 0.59985776580441 0.37500000000000 0.55910963709072 10.811 > 33 35 B 0.09985776580441 0.87500000000000 0.55910963709072 10.811 > 33 36 B 0.59985776580441 0.87500000000000 0.55910963709072 10.811 > 33 37 B 0.40014223419559 0.12500000000000 0.44089036290928 10.811 > 37 38 B 0.90014223419559 0.12500000000000 0.44089036290928 10.811 > 37 39 B 0.40014223419559 0.62500000000000 0.44089036290928 10.811 > 37 40 B 0.90014223419559 0.62500000000000 0.44089036290928 10.811 > 37 41 B 0.15014223419559 0.12500000000000 0.05910963709072 10.811 > 41 42 B 0.65014223419559 0.12500000000000 0.05910963709072 10.811 > 41 43 B 0.15014223419559 0.62500000000000 0.05910963709072 10.811 > 41 44 B 0.65014223419559 0.62500000000000 0.05910963709072 10.811 > 41 45 B 0.34985776580441 0.37500000000000 0.94089036290928 10.811 > 45 46 B 0.84985776580441 0.37500000000000 0.94089036290928 10.811 > 45 47 B 0.34985776580441 0.87500000000000 0.94089036290928 10.811 > 45 48 B 0.84985776580441 0.87500000000000 0.94089036290928 10.811 > 45 49 O 0.35311694996576 0.49370803732927 0.87468441572190 15.999 > 49 50 O 0.85311694996576 0.49370803732927 0.87468441572190 15.999 > 49 51 O 0.35311694996576 0.99370803732927 0.87468441572190 15.999 > 49 52 O 0.85311694996576 0.99370803732927 0.87468441572190 15.999 > 49 53 O 0.40761797615923 0.12500000000000 0.58445020872047 15.999 > 53 54 O 0.90761797615923 0.12500000000000 0.58445020872047 15.999 > 53 55 O 0.40761797615923 0.62500000000000 0.58445020872047 15.999 > 53 56 O 0.90761797615923 0.62500000000000 0.58445020872047 15.999 > 53 57 O 0.39688305003424 0.00629196267073 0.37468441572190 15.999 > 57 58 O 0.89688305003424 0.00629196267073 0.37468441572190 15.999 > 57 59 O 0.39688305003424 0.50629196267073 0.37468441572190 15.999 > 57 60 O 0.89688305003424 0.50629196267073 0.37468441572190 15.999 > 57 61 O 0.35311694996576 0.25629196267073 0.87468441572190 15.999 > 61 62 O 0.85311694996576 0.25629196267073 0.87468441572190 15.999 > 61 63 O 0.35311694996576 0.75629196267073 0.87468441572190 15.999 > 61 64 O 0.85311694996576 0.75629196267073 0.87468441572190 15.999 > 61 65 O 0.39688305003424 0.24370803732927 0.37468441572190 15.999 > 65 66 O 0.89688305003424 0.24370803732927 0.37468441572190 15.999 > 65 67 O 0.39688305003424 0.74370803732927 0.37468441572190 15.999 > 65 68 O 0.89688305003424 0.74370803732927 0.37468441572190 15.999 > 65 69 O 0.28651132163605 0.37500000000000 0.58615554659249 15.999 > 69 70 O 0.78651132163605 0.37500000000000 0.58615554659249 15.999 > 69 71 O 0.28651132163605 0.87500000000000 0.58615554659249 15.999 > 69 72 O 0.78651132163605 0.87500000000000 0.58615554659249 15.999 > 69 73 O 0.34238202384077 0.37500000000000 0.08445020872047 15.999 > 73 74 O 0.84238202384077 0.37500000000000 0.08445020872047 15.999 > 73 75 O 0.34238202384077 0.87500000000000 0.08445020872047 15.999 > 73 76 O 0.84238202384077 0.87500000000000 0.08445020872047 15.999 > 73 77 O 0.09238202384077 0.37500000000000 0.41554979127953 15.999 > 77 78 O 0.59238202384077 0.37500000000000 0.41554979127953 15.999 > 77 79 O 0.09238202384077 0.87500000000000 0.41554979127953 15.999 > 77 80 O 0.59238202384077 0.87500000000000 0.41554979127953 15.999 > 77 81 O 0.14688305003424 0.00629196267073 0.12531558427810 15.999 > 81 82 O 0.64688305003424 0.00629196267073 0.12531558427810 15.999 > 81 83 O 0.14688305003424 0.50629196267073 0.12531558427810 15.999 > 81 84 O 0.64688305003424 0.50629196267073 0.12531558427810 15.999 > 81 85 O 0.10311694996576 0.25629196267073 0.62531558427810 15.999 > 85 86 O 0.60311694996576 0.25629196267073 0.62531558427810 15.999 > 85 87 O 0.10311694996576 0.75629196267073 0.62531558427810 15.999 > 85 88 O 0.60311694996576 0.75629196267073 0.62531558427810 15.999 > 85 89 O 0.03651132163605 0.37500000000000 0.91384445340751 15.999 > 89 90 O 0.53651132163605 0.37500000000000 0.91384445340751 15.999 > 89 91 O 0.03651132163605 0.87500000000000 0.91384445340751 15.999 > 89 92 O 0.53651132163605 0.87500000000000 0.91384445340751 15.999 > 89 93 O 0.46348867836395 0.12500000000000 0.08615554659249 15.999 > 93 94 O 0.96348867836395 0.12500000000000 0.08615554659249 15.999 > 93 95 O 0.46348867836395 0.62500000000000 0.08615554659249 15.999 > 93 96 O 0.96348867836395 0.62500000000000 0.08615554659249 15.999 > 93 97 O 0.10311694996576 0.49370803732927 0.62531558427810 15.999 > 97 98 O 0.60311694996576 0.49370803732927 0.62531558427810 15.999 > 97 99 O 0.10311694996576 0.99370803732927 0.62531558427810 15.999 > 97 100 O 0.60311694996576 0.99370803732927 0.62531558427810 15.999 > 97 101 O 0.21348867836395 0.12500000000000 0.41384445340751 15.999 > 101 102 O 0.71348867836395 0.12500000000000 0.41384445340751 15.999 > 101 103 O 0.21348867836395 0.62500000000000 0.41384445340751 15.999 > 101 104 O 0.71348867836395 0.62500000000000 0.41384445340751 15.999 > 101 105 O 0.14688305003424 0.24370803732927 0.12531558427810 15.999 > 105 106 O 0.64688305003424 0.24370803732927 0.12531558427810 15.999 > 105 107 O 0.14688305003424 0.74370803732927 0.12531558427810 15.999 > 105 108 O 0.64688305003424 0.74370803732927 0.12531558427810 15.999 > 105 109 O 0.15761797615923 0.12500000000000 0.91554979127953 15.999 > 109 110 O 0.65761797615923 0.12500000000000 0.91554979127953 15.999 > 109 111 O 0.15761797615923 0.62500000000000 0.91554979127953 15.999 > 109 112 O 0.65761797615923 0.62500000000000 0.91554979127953 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8953474 0.0000000 0.0000000 0.0000000 4.9695610 0.0000000 0.0000000 0.0000000 3.9031395 -------------------------- Born effective charges -------------------------- 1 Ba 2.7187607 0.0000000 -0.1443912 0.0000000 2.5696874 0.0000000 -0.2110891 0.0000000 2.9462910 2 Ba 2.7187607 0.0000000 0.1443912 0.0000000 2.5696874 0.0000000 0.2110891 0.0000000 2.9462910 3 Ba 2.7187607 0.0000000 -0.1443912 0.0000000 2.5696874 0.0000000 -0.2110891 0.0000000 2.9462910 4 Ba 2.7187607 0.0000000 0.1443912 0.0000000 2.5696874 0.0000000 0.2110891 0.0000000 2.9462910 5 Bi 2.7455958 0.0000000 0.2717785 0.0000000 4.9934630 0.0000000 0.4096279 0.0000000 2.8198718 6 Bi 2.7455958 0.0000000 0.2717785 0.0000000 4.9934630 0.0000000 0.4096279 0.0000000 2.8198718 7 Bi 2.7455958 0.0000000 -0.2717785 0.0000000 4.9934630 0.0000000 -0.4096279 0.0000000 2.8198718 8 Bi 2.7455958 0.0000000 -0.2717785 0.0000000 4.9934630 0.0000000 -0.4096279 0.0000000 2.8198718 9 B 0.7825614 0.0000000 0.1749116 0.0000000 3.2517268 0.0000000 0.0729255 0.0000000 1.5967206 10 B 0.7825614 0.0000000 0.1749116 0.0000000 3.2517268 0.0000000 0.0729255 0.0000000 1.5967206 11 B 0.7825614 0.0000000 -0.1749116 0.0000000 3.2517268 0.0000000 -0.0729255 0.0000000 1.5967206 12 B 0.7825614 0.0000000 -0.1749116 0.0000000 3.2517268 0.0000000 -0.0729255 0.0000000 1.5967206 13 O -1.1898337 -0.1115898 -0.0774258 0.0061833 -2.8240559 -0.0384269 0.0805597 -0.0070510 -1.8888220 14 O -1.3293025 0.0000000 -0.1074913 0.0000000 -3.3654295 0.0000000 -0.0571202 0.0000000 -1.9654883 15 O -1.1898337 -0.1115898 0.0774258 0.0061833 -2.8240559 0.0384269 -0.0805597 0.0070510 -1.8888220 16 O -1.1898337 0.1115898 -0.0774258 -0.0061833 -2.8240559 0.0384269 0.0805597 0.0070510 -1.8888220 17 O -1.1898337 0.1115898 0.0774258 -0.0061833 -2.8240559 -0.0384269 -0.0805597 -0.0070510 -1.8888220 18 O -2.5379480 0.0000000 -0.0851476 0.0000000 -1.8013358 0.0000000 0.2852443 0.0000000 -1.6197512 19 O -1.3293025 0.0000000 0.1074913 0.0000000 -3.3654295 0.0000000 0.0571202 0.0000000 -1.9654883 20 O -1.3293025 0.0000000 -0.1074913 0.0000000 -3.3654295 0.0000000 -0.0571202 0.0000000 -1.9654883 21 O -1.1898337 -0.1115898 -0.0774258 0.0061833 -2.8240559 -0.0384269 0.0805597 -0.0070510 -1.8888220 22 O -1.1898337 0.1115898 0.0774258 -0.0061833 -2.8240559 -0.0384269 -0.0805597 -0.0070510 -1.8888220 23 O -2.5379480 0.0000000 0.0851476 0.0000000 -1.8013358 0.0000000 -0.2852443 0.0000000 -1.6197512 24 O -2.5379480 0.0000000 0.0851476 0.0000000 -1.8013358 0.0000000 -0.2852443 0.0000000 -1.6197512 25 O -1.1898337 -0.1115898 0.0774258 0.0061833 -2.8240559 0.0384269 -0.0805597 0.0070510 -1.8888220 26 O -2.5379480 0.0000000 -0.0851476 0.0000000 -1.8013358 0.0000000 0.2852443 0.0000000 -1.6197512 27 O -1.1898337 0.1115898 -0.0774258 -0.0061833 -2.8240559 0.0384269 0.0805597 0.0070510 -1.8888220 28 O -1.3293025 0.0000000 0.1074913 0.0000000 -3.3654295 0.0000000 0.0571202 0.0000000 -1.9654883 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (yzy) 0.00000008 (yzy) 0.00000008 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 72 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 1.262 ( 0.000 0.000 0.000) 0.000 1.485 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.706 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.906 ( 0.000 0.000 0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 16.966 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.110 ( 0.000 0.000 0.000) 0.000 17.295 ( 0.000 0.000 0.000) 0.000 17.373 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.099 ( 0.000 0.000 0.000) 0.000 18.158 ( 0.000 0.000 0.000) 0.000 18.453 ( 0.000 0.000 0.000) 0.000 20.270 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 20.414 ( 0.000 0.000 0.000) 0.000 20.605 ( 0.000 0.000 0.000) 0.000 26.911 ( 0.000 0.000 0.000) 0.000 26.945 ( 0.000 0.000 0.000) 0.000 26.980 ( 0.000 0.000 0.000) 0.000 27.043 ( 0.000 0.000 0.000) 0.000 36.166 ( 0.000 0.000 0.000) 0.000 36.301 ( 0.000 0.000 0.000) 0.000 36.357 ( 0.000 0.000 0.000) 0.000 37.148 ( 0.000 0.000 0.000) 0.000 38.540 ( 0.000 0.000 0.000) 0.000 38.568 ( 0.000 0.000 0.000) 0.000 38.608 ( 0.000 0.000 0.000) 0.000 38.674 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 19.013 0.000 0.000) 19.013 0.393 ( 19.671 0.000 0.000) 19.671 0.610 ( 30.286 0.000 0.000) 30.286 1.298 ( 3.727 0.000 0.000) 3.727 1.466 ( -6.618 0.000 0.000) 6.618 1.475 ( -1.895 0.000 0.000) 1.895 1.575 ( 0.033 0.000 0.000) 0.033 1.631 ( -6.164 0.000 0.000) 6.164 1.733 ( 2.056 0.000 0.000) 2.056 1.866 ( -0.592 0.000 0.000) 0.592 1.964 ( -0.588 0.000 0.000) 0.588 2.341 ( 4.808 0.000 0.000) 4.808 2.387 ( -7.346 0.000 0.000) 7.346 2.564 ( -0.267 0.000 0.000) 0.267 2.601 ( -0.216 0.000 0.000) 0.216 2.685 ( -1.295 0.000 0.000) 1.295 2.704 ( -3.840 0.000 0.000) 3.840 3.073 ( 10.994 0.000 0.000) 10.994 3.122 ( -1.868 0.000 0.000) 1.868 3.564 ( -2.435 0.000 0.000) 2.435 3.784 ( -4.140 0.000 0.000) 4.140 3.853 ( -4.614 0.000 0.000) 4.614 4.010 ( 3.560 0.000 0.000) 3.560 4.105 ( -0.046 0.000 0.000) 0.046 4.129 ( -0.509 0.000 0.000) 0.509 4.295 ( -2.286 0.000 0.000) 2.286 4.349 ( 0.941 0.000 0.000) 0.941 4.453 ( -0.776 0.000 0.000) 0.776 4.621 ( 3.640 0.000 0.000) 3.640 5.159 ( -5.290 0.000 0.000) 5.290 5.430 ( 2.382 0.000 0.000) 2.382 5.441 ( -1.489 0.000 0.000) 1.489 5.445 ( -1.713 0.000 0.000) 1.713 5.664 ( 1.811 0.000 0.000) 1.811 5.689 ( 1.323 0.000 0.000) 1.323 5.709 ( -1.652 0.000 0.000) 1.652 5.983 ( 0.267 0.000 0.000) 0.267 6.081 ( -0.069 0.000 0.000) 0.069 6.471 ( 0.740 0.000 0.000) 0.740 6.498 ( 0.609 0.000 0.000) 0.609 6.878 ( 1.073 0.000 0.000) 1.073 6.972 ( -0.461 0.000 0.000) 0.461 7.384 ( 1.852 0.000 0.000) 1.852 7.510 ( -0.114 0.000 0.000) 0.114 7.897 ( 0.429 0.000 0.000) 0.429 7.944 ( -0.801 0.000 0.000) 0.801 8.296 ( -0.345 0.000 0.000) 0.345 8.316 ( -0.691 0.000 0.000) 0.691 8.684 ( 1.834 0.000 0.000) 1.834 8.867 ( -0.897 0.000 0.000) 0.897 9.567 ( 0.621 0.000 0.000) 0.621 9.718 ( 0.143 0.000 0.000) 0.143 9.731 ( -0.061 0.000 0.000) 0.061 9.748 ( -2.475 0.000 0.000) 2.475 9.908 ( 0.190 0.000 0.000) 0.190 9.935 ( -0.235 0.000 0.000) 0.235 16.948 ( -0.037 0.000 0.000) 0.037 16.957 ( -0.374 0.000 0.000) 0.374 16.974 ( 0.437 0.000 0.000) 0.437 16.988 ( 0.036 0.000 0.000) 0.036 17.125 ( 1.527 0.000 0.000) 1.527 17.283 ( -1.162 0.000 0.000) 1.162 17.520 ( 3.706 0.000 0.000) 3.706 17.879 ( -4.167 0.000 0.000) 4.167 18.063 ( 5.682 0.000 0.000) 5.682 18.160 ( 4.784 0.000 0.000) 4.784 18.487 ( 3.442 0.000 0.000) 3.442 18.907 ( -2.485 0.000 0.000) 2.485 20.321 ( 0.686 0.000 0.000) 0.686 20.407 ( -0.702 0.000 0.000) 0.702 20.625 ( 2.034 0.000 0.000) 2.034 20.817 ( -0.385 0.000 0.000) 0.385 26.911 ( -0.081 0.000 0.000) 0.081 26.938 ( -0.581 0.000 0.000) 0.581 26.985 ( 0.416 0.000 0.000) 0.416 27.038 ( -0.454 0.000 0.000) 0.454 36.172 ( 0.681 0.000 0.000) 0.681 36.276 ( -1.589 0.000 0.000) 1.589 36.422 ( 5.602 0.000 0.000) 5.602 37.102 ( -5.745 0.000 0.000) 5.745 38.541 ( 0.163 0.000 0.000) 0.163 38.566 ( -0.215 0.000 0.000) 0.215 38.613 ( 0.465 0.000 0.000) 0.465 38.670 ( -0.423 0.000 0.000) 0.423 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 17.806 0.000 0.000) 17.806 0.756 ( 17.216 0.000 0.000) 17.216 1.142 ( 20.504 0.000 0.000) 20.504 1.314 ( -5.924 0.000 0.000) 5.924 1.340 ( -11.844 0.000 0.000) 11.844 1.403 ( 6.644 0.000 0.000) 6.644 1.563 ( -0.484 0.000 0.000) 0.484 1.574 ( -0.167 0.000 0.000) 0.167 1.768 ( 0.931 0.000 0.000) 0.931 1.867 ( -1.944 0.000 0.000) 1.944 1.883 ( -4.200 0.000 0.000) 4.200 2.185 ( -12.773 0.000 0.000) 12.773 2.443 ( 5.121 0.000 0.000) 5.121 2.555 ( -0.736 0.000 0.000) 0.736 2.598 ( 0.014 0.000 0.000) 0.014 2.649 ( -2.261 0.000 0.000) 2.261 2.734 ( 6.257 0.000 0.000) 6.257 3.050 ( -5.904 0.000 0.000) 5.904 3.271 ( 9.079 0.000 0.000) 9.079 3.503 ( -3.550 0.000 0.000) 3.550 3.707 ( -3.209 0.000 0.000) 3.209 3.748 ( -5.300 0.000 0.000) 5.300 4.083 ( 3.794 0.000 0.000) 3.794 4.105 ( 0.059 0.000 0.000) 0.059 4.118 ( -0.578 0.000 0.000) 0.578 4.235 ( -3.709 0.000 0.000) 3.709 4.373 ( 1.459 0.000 0.000) 1.459 4.432 ( -1.332 0.000 0.000) 1.332 4.724 ( 6.769 0.000 0.000) 6.769 5.029 ( -7.631 0.000 0.000) 7.631 5.412 ( -1.209 0.000 0.000) 1.209 5.413 ( -1.294 0.000 0.000) 1.294 5.492 ( 3.860 0.000 0.000) 3.860 5.658 ( -3.579 0.000 0.000) 3.579 5.699 ( 1.550 0.000 0.000) 1.550 5.713 ( 0.883 0.000 0.000) 0.883 5.999 ( 1.453 0.000 0.000) 1.453 6.070 ( -1.207 0.000 0.000) 1.207 6.488 ( 0.934 0.000 0.000) 0.934 6.507 ( 0.202 0.000 0.000) 0.202 6.906 ( 1.591 0.000 0.000) 1.591 6.958 ( -0.922 0.000 0.000) 0.922 7.430 ( 2.575 0.000 0.000) 2.575 7.502 ( -0.787 0.000 0.000) 0.787 7.907 ( 0.490 0.000 0.000) 0.490 7.928 ( -0.766 0.000 0.000) 0.766 8.289 ( -0.267 0.000 0.000) 0.267 8.300 ( -0.815 0.000 0.000) 0.815 8.732 ( 2.921 0.000 0.000) 2.921 8.839 ( -1.990 0.000 0.000) 1.990 9.587 ( 1.502 0.000 0.000) 1.502 9.688 ( -3.334 0.000 0.000) 3.334 9.722 ( 0.214 0.000 0.000) 0.214 9.729 ( -0.132 0.000 0.000) 0.132 9.913 ( 0.342 0.000 0.000) 0.342 9.929 ( -0.387 0.000 0.000) 0.387 16.947 ( -0.006 0.000 0.000) 0.006 16.951 ( -0.239 0.000 0.000) 0.239 16.982 ( 0.324 0.000 0.000) 0.324 16.988 ( -0.018 0.000 0.000) 0.018 17.164 ( 2.281 0.000 0.000) 2.281 17.252 ( -1.956 0.000 0.000) 1.956 17.608 ( 4.921 0.000 0.000) 4.921 17.794 ( -4.522 0.000 0.000) 4.522 18.189 ( 6.072 0.000 0.000) 6.072 18.245 ( 3.220 0.000 0.000) 3.220 18.583 ( 6.249 0.000 0.000) 6.249 18.834 ( -5.001 0.000 0.000) 5.001 20.339 ( 1.100 0.000 0.000) 1.100 20.388 ( -1.194 0.000 0.000) 1.194 20.680 ( 3.398 0.000 0.000) 3.398 20.797 ( -1.753 0.000 0.000) 1.753 26.910 ( 0.058 0.000 0.000) 0.058 26.925 ( -0.678 0.000 0.000) 0.678 26.995 ( 0.679 0.000 0.000) 0.679 27.026 ( -0.755 0.000 0.000) 0.755 36.191 ( 1.192 0.000 0.000) 1.192 36.246 ( -1.496 0.000 0.000) 1.496 36.563 ( 8.731 0.000 0.000) 8.731 36.950 ( -9.457 0.000 0.000) 9.457 38.546 ( 0.310 0.000 0.000) 0.310 38.561 ( -0.360 0.000 0.000) 0.360 38.625 ( 0.781 0.000 0.000) 0.781 38.658 ( -0.742 0.000 0.000) 0.742 ======================= Grid point 3 (4/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -13.221 0.000 0.000) 13.221 1.054 ( 13.221 0.000 0.000) 13.221 1.065 ( -15.766 0.000 0.000) 15.766 1.065 ( 15.766 0.000 0.000) 15.766 1.489 ( -2.987 0.000 0.000) 2.987 1.489 ( 2.987 0.000 0.000) 2.987 1.568 ( -0.456 0.000 0.000) 0.456 1.568 ( 0.456 0.000 0.000) 0.456 1.763 ( -0.795 0.000 0.000) 0.795 1.763 ( 0.795 0.000 0.000) 0.795 1.951 ( -8.311 0.000 0.000) 8.311 1.951 ( 8.311 0.000 0.000) 8.311 2.524 ( -2.852 0.000 0.000) 2.852 2.524 ( 2.852 0.000 0.000) 2.852 2.609 ( -1.391 0.000 0.000) 1.391 2.609 ( 1.391 0.000 0.000) 1.391 2.897 ( -9.145 0.000 0.000) 9.145 2.897 ( 9.145 0.000 0.000) 9.145 3.417 ( -5.767 0.000 0.000) 5.767 3.417 ( 5.767 0.000 0.000) 5.767 3.680 ( -1.005 0.000 0.000) 1.005 3.680 ( 1.005 0.000 0.000) 1.005 4.109 ( -0.328 0.000 0.000) 0.328 4.109 ( 0.328 0.000 0.000) 0.328 4.159 ( -3.985 0.000 0.000) 3.985 4.159 ( 3.985 0.000 0.000) 3.985 4.403 ( -1.567 0.000 0.000) 1.567 4.403 ( 1.567 0.000 0.000) 1.567 4.873 ( -8.153 0.000 0.000) 8.153 4.873 ( 8.153 0.000 0.000) 8.153 5.400 ( -0.007 0.000 0.000) 0.007 5.400 ( 0.007 0.000 0.000) 0.007 5.576 ( -4.558 0.000 0.000) 4.558 5.576 ( 4.558 0.000 0.000) 4.558 5.718 ( -0.379 0.000 0.000) 0.379 5.718 ( 0.379 0.000 0.000) 0.379 6.036 ( -2.120 0.000 0.000) 2.120 6.036 ( 2.120 0.000 0.000) 2.120 6.504 ( -0.563 0.000 0.000) 0.563 6.504 ( 0.563 0.000 0.000) 0.563 6.936 ( -1.392 0.000 0.000) 1.392 6.936 ( 1.392 0.000 0.000) 1.392 7.476 ( -1.932 0.000 0.000) 1.932 7.476 ( 1.932 0.000 0.000) 1.932 7.916 ( -0.480 0.000 0.000) 0.480 7.916 ( 0.480 0.000 0.000) 0.480 8.289 ( -0.299 0.000 0.000) 0.299 8.289 ( 0.299 0.000 0.000) 0.299 8.790 ( -2.892 0.000 0.000) 2.892 8.790 ( 2.892 0.000 0.000) 2.892 9.628 ( -2.649 0.000 0.000) 2.649 9.628 ( 2.649 0.000 0.000) 2.649 9.726 ( -0.198 0.000 0.000) 0.198 9.726 ( 0.198 0.000 0.000) 0.198 9.920 ( -0.419 0.000 0.000) 0.419 9.920 ( 0.419 0.000 0.000) 0.419 16.948 ( -0.096 0.000 0.000) 0.096 16.948 ( 0.096 0.000 0.000) 0.096 16.986 ( -0.160 0.000 0.000) 0.160 16.986 ( 0.160 0.000 0.000) 0.160 17.210 ( -2.321 0.000 0.000) 2.321 17.210 ( 2.321 0.000 0.000) 2.321 17.703 ( -4.754 0.000 0.000) 4.754 17.703 ( 4.754 0.000 0.000) 4.754 18.266 ( -1.414 0.000 0.000) 1.414 18.266 ( 1.414 0.000 0.000) 1.414 18.716 ( -6.865 0.000 0.000) 6.865 18.716 ( 6.865 0.000 0.000) 6.865 20.363 ( -1.306 0.000 0.000) 1.306 20.363 ( 1.306 0.000 0.000) 1.306 20.747 ( -3.249 0.000 0.000) 3.249 20.747 ( 3.249 0.000 0.000) 3.249 26.914 ( -0.400 0.000 0.000) 0.400 26.914 ( 0.400 0.000 0.000) 0.400 27.010 ( -0.820 0.000 0.000) 0.820 27.010 ( 0.820 0.000 0.000) 0.820 36.217 ( -1.444 0.000 0.000) 1.444 36.217 ( 1.444 0.000 0.000) 1.444 36.752 ( -10.330 0.000 0.000) 10.330 36.752 ( 10.330 0.000 0.000) 10.330 38.553 ( -0.391 0.000 0.000) 0.391 38.553 ( 0.391 0.000 0.000) 0.391 38.642 ( -0.876 0.000 0.000) 0.876 38.642 ( 0.876 0.000 0.000) 0.876 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 0.000 20.718 0.000) 20.718 0.388 ( 0.000 20.220 0.000) 20.220 1.061 ( 0.000 49.925 0.000) 49.925 1.193 ( 0.000 -1.645 0.000) 1.645 1.554 ( 0.000 3.077 0.000) 3.077 1.678 ( 0.000 0.533 0.000) 0.533 1.721 ( 0.000 2.082 0.000) 2.082 1.739 ( 0.000 17.337 0.000) 17.337 1.882 ( 0.000 12.757 0.000) 12.757 1.930 ( 0.000 15.315 0.000) 15.315 1.950 ( 0.000 0.631 0.000) 0.631 2.231 ( 0.000 -2.309 0.000) 2.309 2.592 ( 0.000 10.483 0.000) 10.483 2.631 ( 0.000 4.293 0.000) 4.293 2.647 ( 0.000 4.168 0.000) 4.168 2.715 ( 0.000 -0.506 0.000) 0.506 2.879 ( 0.000 0.843 0.000) 0.843 2.940 ( 0.000 9.990 0.000) 9.990 3.167 ( 0.000 3.354 0.000) 3.354 3.582 ( 0.000 -0.510 0.000) 0.510 3.603 ( 0.000 -2.347 0.000) 2.347 3.788 ( 0.000 -4.595 0.000) 4.595 3.825 ( 0.000 -1.232 0.000) 1.232 4.142 ( 0.000 -5.516 0.000) 5.516 4.552 ( 0.000 -3.115 0.000) 3.115 4.621 ( 0.000 29.682 0.000) 29.682 4.832 ( 0.000 34.551 0.000) 34.551 4.905 ( 0.000 37.988 0.000) 37.988 5.124 ( 0.000 3.071 0.000) 3.071 5.133 ( 0.000 -10.865 0.000) 10.865 5.287 ( 0.000 -9.708 0.000) 9.708 5.379 ( 0.000 -0.242 0.000) 0.242 5.583 ( 0.000 7.569 0.000) 7.569 5.617 ( 0.000 0.187 0.000) 0.187 5.824 ( 0.000 12.254 0.000) 12.254 6.054 ( 0.000 6.735 0.000) 6.735 6.061 ( 0.000 -1.647 0.000) 1.647 6.095 ( 0.000 1.611 0.000) 1.611 6.513 ( 0.000 3.193 0.000) 3.193 6.778 ( 0.000 -3.022 0.000) 3.022 6.888 ( 0.000 2.069 0.000) 2.069 6.963 ( 0.000 -1.174 0.000) 1.174 7.446 ( 0.000 7.634 0.000) 7.634 7.582 ( 0.000 -3.281 0.000) 3.281 7.892 ( 0.000 -5.935 0.000) 5.935 8.225 ( 0.000 -6.663 0.000) 6.663 8.264 ( 0.000 -5.717 0.000) 5.717 8.670 ( 0.000 0.329 0.000) 0.329 8.902 ( 0.000 3.286 0.000) 3.286 9.044 ( 0.000 1.269 0.000) 1.269 9.601 ( 0.000 4.049 0.000) 4.049 9.657 ( 0.000 -4.352 0.000) 4.352 9.832 ( 0.000 9.725 0.000) 9.725 9.979 ( 0.000 7.363 0.000) 7.363 10.001 ( 0.000 4.840 0.000) 4.840 11.165 ( 0.000 0.755 0.000) 0.755 16.992 ( 0.000 4.053 0.000) 4.053 17.056 ( 0.000 8.023 0.000) 8.023 17.085 ( 0.000 9.393 0.000) 9.393 17.109 ( 0.000 -0.003 0.000) 0.003 17.329 ( 0.000 3.527 0.000) 3.527 17.379 ( 0.000 1.225 0.000) 1.225 17.464 ( 0.000 -1.608 0.000) 1.608 17.603 ( 0.000 5.123 0.000) 5.123 18.002 ( 0.000 0.195 0.000) 0.195 18.100 ( 0.000 0.381 0.000) 0.381 18.149 ( 0.000 -0.654 0.000) 0.654 18.430 ( 0.000 -2.116 0.000) 2.116 20.271 ( 0.000 0.065 0.000) 0.065 20.313 ( 0.000 -0.089 0.000) 0.089 20.407 ( 0.000 -0.659 0.000) 0.659 20.581 ( 0.000 -2.319 0.000) 2.319 26.878 ( 0.000 -3.291 0.000) 3.291 26.914 ( 0.000 -3.057 0.000) 3.057 26.942 ( 0.000 -3.795 0.000) 3.795 27.009 ( 0.000 -3.438 0.000) 3.438 36.147 ( 0.000 -1.820 0.000) 1.820 36.260 ( 0.000 -3.881 0.000) 3.881 36.312 ( 0.000 -4.394 0.000) 4.394 36.988 ( 0.000 -14.140 0.000) 14.140 38.686 ( 0.000 11.374 0.000) 11.374 38.737 ( 0.000 17.865 0.000) 17.865 38.777 ( 0.000 9.975 0.000) 9.975 40.525 ( 0.000 0.300 0.000) 0.300 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.17 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 13.837 12.434 0.000) 18.603 0.657 ( 20.110 11.683 0.000) 23.257 1.138 ( 8.109 42.690 0.000) 43.453 1.234 ( 4.102 -1.520 0.000) 4.375 1.460 ( -7.519 3.997 0.000) 8.516 1.647 ( -3.038 6.929 0.000) 7.566 1.745 ( 1.376 5.693 0.000) 5.857 1.772 ( 2.342 10.091 0.000) 10.360 1.857 ( -5.469 15.375 0.000) 16.319 1.873 ( -0.385 8.627 0.000) 8.635 1.946 ( -2.028 1.028 0.000) 2.273 2.261 ( 0.969 -1.365 0.000) 1.674 2.560 ( -2.361 11.305 0.000) 11.549 2.613 ( 0.182 1.884 0.000) 1.893 2.650 ( 0.223 4.541 0.000) 4.547 2.703 ( -1.210 1.391 0.000) 1.843 2.799 ( -3.375 9.631 0.000) 10.206 3.090 ( 9.498 2.164 0.000) 9.742 3.149 ( -2.072 3.131 0.000) 3.755 3.556 ( -2.435 -0.528 0.000) 2.491 3.589 ( -1.150 -4.026 0.000) 4.187 3.744 ( -4.256 -4.896 0.000) 6.488 3.873 ( 4.170 -1.597 0.000) 4.465 4.130 ( -1.218 -4.710 0.000) 4.865 4.579 ( 2.720 -3.560 0.000) 4.480 4.626 ( 0.575 28.157 0.000) 28.163 4.830 ( -0.184 34.699 0.000) 34.699 4.882 ( -2.104 37.042 0.000) 37.102 5.066 ( -6.605 -1.274 0.000) 6.727 5.088 ( -3.516 3.885 0.000) 5.240 5.288 ( 0.178 -7.386 0.000) 7.388 5.383 ( 0.060 3.751 0.000) 3.751 5.586 ( 0.500 7.449 0.000) 7.466 5.631 ( 1.254 -0.605 0.000) 1.393 5.745 ( -7.273 10.960 0.000) 13.154 5.983 ( -6.308 5.947 0.000) 8.670 6.077 ( 1.397 7.579 0.000) 7.707 6.102 ( 0.683 2.206 0.000) 2.309 6.514 ( 0.089 2.811 0.000) 2.812 6.692 ( -8.373 6.765 0.000) 10.764 6.855 ( -0.460 -0.347 0.000) 0.576 6.955 ( -0.791 -1.442 0.000) 1.645 7.474 ( 2.709 8.289 0.000) 8.720 7.589 ( 0.636 -1.542 0.000) 1.668 7.888 ( -0.229 -5.364 0.000) 5.369 8.223 ( -0.105 -6.494 0.000) 6.495 8.256 ( -0.770 -5.629 0.000) 5.681 8.538 ( -23.815 17.801 0.000) 29.732 8.780 ( -7.631 14.815 0.000) 16.665 8.893 ( -0.883 3.266 0.000) 3.383 9.610 ( 0.820 4.263 0.000) 4.341 9.660 ( 0.277 -3.255 0.000) 3.267 9.825 ( -0.661 9.165 0.000) 9.188 9.979 ( -0.022 7.194 0.000) 7.194 9.987 ( -1.712 5.581 0.000) 5.838 10.288 ( -36.691 40.165 0.000) 54.401 16.994 ( 0.157 4.084 0.000) 4.087 17.042 ( -1.887 4.804 0.000) 5.161 17.081 ( -1.685 8.937 0.000) 9.094 17.083 ( -0.174 9.383 0.000) 9.385 17.166 ( -0.863 6.061 0.000) 6.122 17.313 ( -1.480 2.937 0.000) 3.289 17.508 ( 3.961 -1.125 0.000) 4.118 17.832 ( -0.545 -4.283 0.000) 4.318 18.060 ( 5.476 -0.020 0.000) 5.476 18.154 ( 4.651 -0.216 0.000) 4.656 18.461 ( 3.182 -2.342 0.000) 3.951 18.532 ( 19.583 -20.878 0.000) 28.625 20.321 ( 0.738 -0.041 0.000) 0.739 20.380 ( 1.426 -3.597 0.000) 3.869 20.482 ( 10.645 -10.476 0.000) 14.936 20.595 ( 1.430 -2.834 0.000) 3.175 26.878 ( -0.044 -3.268 0.000) 3.268 26.908 ( -0.579 -3.054 0.000) 3.108 26.945 ( 0.340 -3.856 0.000) 3.871 26.997 ( -0.840 -3.654 0.000) 3.749 36.152 ( 0.518 -1.934 0.000) 2.003 36.239 ( -1.395 -3.602 0.000) 3.863 36.370 ( 5.043 -4.988 0.000) 7.093 36.946 ( -4.319 -13.435 0.000) 14.112 38.686 ( 0.022 11.546 0.000) 11.546 38.729 ( -0.742 17.106 0.000) 17.122 38.784 ( 0.824 11.061 0.000) 11.092 39.706 ( -47.439 48.603 0.000) 67.917 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 14.251 5.081 0.000) 15.129 0.999 ( 12.956 9.597 0.000) 16.123 1.303 ( -5.977 3.771 0.000) 7.068 1.346 ( 6.847 -1.618 0.000) 7.035 1.373 ( 12.500 26.097 0.000) 28.937 1.538 ( -8.128 14.333 0.000) 16.477 1.758 ( -2.236 6.533 0.000) 6.905 1.767 ( 0.957 10.927 0.000) 10.968 1.832 ( 1.619 13.517 0.000) 13.613 1.847 ( -5.816 1.815 0.000) 6.093 1.883 ( 0.876 4.670 0.000) 4.751 2.187 ( -9.013 2.634 0.000) 9.390 2.554 ( 2.084 9.330 0.000) 9.559 2.657 ( 0.507 5.378 0.000) 5.402 2.658 ( 0.704 4.432 0.000) 4.487 2.676 ( -0.221 3.393 0.000) 3.400 2.774 ( 2.566 6.701 0.000) 7.176 3.071 ( -6.257 2.413 0.000) 6.706 3.268 ( 8.472 0.188 0.000) 8.474 3.499 ( -3.321 -0.101 0.000) 3.322 3.567 ( -0.815 -5.153 0.000) 5.217 3.642 ( -5.355 -5.522 0.000) 7.692 3.960 ( 4.347 -2.236 0.000) 4.888 4.094 ( -2.460 -3.422 0.000) 4.214 4.644 ( 1.272 23.594 0.000) 23.629 4.647 ( 3.549 -3.407 0.000) 4.919 4.828 ( -0.040 34.699 0.000) 34.699 4.839 ( -1.918 34.998 0.000) 35.050 4.917 ( -6.609 20.431 0.000) 21.473 4.998 ( -5.438 7.505 0.000) 9.268 5.298 ( 0.875 -1.874 0.000) 2.068 5.366 ( -1.900 10.594 0.000) 10.763 5.600 ( 0.559 2.575 0.000) 2.635 5.624 ( -3.410 -0.550 0.000) 3.454 5.666 ( 2.721 1.886 0.000) 3.311 5.856 ( -6.211 8.799 0.000) 10.770 6.105 ( 1.237 8.626 0.000) 8.714 6.116 ( 0.611 4.184 0.000) 4.229 6.515 ( 0.072 1.950 0.000) 1.952 6.565 ( -3.873 5.289 0.000) 6.555 6.870 ( 1.428 -2.525 0.000) 2.900 6.933 ( -1.415 -2.077 0.000) 2.513 7.539 ( 3.468 9.156 0.000) 9.791 7.601 ( 0.363 2.466 0.000) 2.493 7.894 ( 1.139 -2.768 0.000) 2.993 8.118 ( -13.582 20.099 0.000) 24.258 8.222 ( 0.019 -6.146 0.000) 6.146 8.241 ( -1.048 -5.490 0.000) 5.589 8.775 ( 2.092 5.129 0.000) 5.539 8.866 ( -1.872 3.320 0.000) 3.811 9.632 ( 1.352 4.481 0.000) 4.681 9.664 ( 0.028 -0.471 0.000) 0.472 9.812 ( -0.501 8.276 0.000) 8.291 9.891 ( -6.326 14.698 0.000) 16.002 9.979 ( 0.072 6.710 0.000) 6.710 10.006 ( -2.384 8.941 0.000) 9.253 16.997 ( 0.197 4.103 0.000) 4.107 17.013 ( -0.869 4.102 0.000) 4.193 17.073 ( 0.075 10.030 0.000) 10.030 17.079 ( -0.194 9.421 0.000) 9.423 17.190 ( 2.071 2.761 0.000) 3.451 17.277 ( -2.079 2.500 0.000) 3.252 17.598 ( 4.930 -0.918 0.000) 5.015 17.775 ( -3.934 -1.810 0.000) 4.330 18.181 ( 5.893 -0.455 0.000) 5.910 18.236 ( 3.139 -0.566 0.000) 3.189 18.548 ( 5.439 -3.243 0.000) 6.332 18.701 ( 1.094 -11.214 0.000) 11.267 20.339 ( 1.094 0.018 0.000) 1.094 20.378 ( -0.676 -0.956 0.000) 1.171 20.631 ( 2.021 -4.492 0.000) 4.926 20.633 ( 4.066 -11.804 0.000) 12.485 26.878 ( 0.112 -3.193 0.000) 3.195 26.895 ( -0.694 -3.057 0.000) 3.135 26.954 ( 0.554 -4.019 0.000) 4.057 26.981 ( -0.783 -4.125 0.000) 4.198 36.167 ( 0.969 -2.293 0.000) 2.489 36.213 ( -1.282 -3.205 0.000) 3.451 36.497 ( 7.724 -6.368 0.000) 10.011 36.826 ( -7.666 -11.190 0.000) 13.564 38.688 ( 0.226 12.167 0.000) 12.169 38.712 ( -0.915 15.301 0.000) 15.328 38.814 ( 2.438 14.766 0.000) 14.966 39.107 ( -17.508 37.223 0.000) 41.135 ======================= Grid point 10 (8/72) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -9.374 0.285 0.000) 9.378 1.027 ( 9.374 0.285 0.000) 9.378 1.332 ( -9.044 16.089 0.000) 18.456 1.332 ( 9.044 16.089 0.000) 18.456 1.493 ( -3.089 4.035 0.000) 5.082 1.493 ( 3.089 4.035 0.000) 5.082 1.740 ( -0.659 9.555 0.000) 9.578 1.740 ( 0.659 9.555 0.000) 9.578 1.839 ( -1.588 10.882 0.000) 10.998 1.839 ( 1.588 10.882 0.000) 10.998 1.971 ( -10.047 5.323 0.000) 11.371 1.971 ( 10.047 5.323 0.000) 11.371 2.612 ( -3.205 5.899 0.000) 6.714 2.612 ( 3.205 5.899 0.000) 6.714 2.670 ( -0.868 7.041 0.000) 7.094 2.670 ( 0.868 7.041 0.000) 7.094 2.913 ( -9.150 1.915 0.000) 9.349 2.913 ( 9.150 1.915 0.000) 9.349 3.412 ( -6.033 -0.003 0.000) 6.033 3.412 ( 6.033 -0.003 0.000) 6.033 3.570 ( -1.592 -5.513 0.000) 5.738 3.570 ( 1.592 -5.513 0.000) 5.738 4.036 ( -3.460 -2.667 0.000) 4.369 4.036 ( 3.460 -2.667 0.000) 4.369 4.673 ( -1.153 11.328 0.000) 11.387 4.673 ( 1.153 11.328 0.000) 11.387 4.817 ( -0.045 33.366 0.000) 33.366 4.817 ( 0.045 33.366 0.000) 33.366 4.898 ( -3.843 17.632 0.000) 18.046 4.898 ( 3.843 17.632 0.000) 18.046 5.325 ( -1.916 5.625 0.000) 5.942 5.325 ( 1.916 5.625 0.000) 5.942 5.602 ( -0.104 -4.171 0.000) 4.172 5.602 ( 0.104 -4.171 0.000) 4.172 5.744 ( -5.113 6.741 0.000) 8.461 5.744 ( 5.113 6.741 0.000) 8.461 6.120 ( -0.272 7.027 0.000) 7.033 6.120 ( 0.272 7.027 0.000) 7.033 6.523 ( -0.927 1.910 0.000) 2.123 6.523 ( 0.927 1.910 0.000) 2.123 6.902 ( -1.723 -2.636 0.000) 3.149 6.902 ( 1.723 -2.636 0.000) 3.149 7.591 ( -1.601 7.129 0.000) 7.306 7.591 ( 1.601 7.129 0.000) 7.306 7.949 ( -5.012 5.205 0.000) 7.226 7.949 ( 5.012 5.205 0.000) 7.226 8.227 ( -0.496 -5.858 0.000) 5.879 8.227 ( 0.496 -5.858 0.000) 5.879 8.822 ( -2.528 3.755 0.000) 4.527 8.822 ( 2.528 3.755 0.000) 4.527 9.656 ( -0.932 3.043 0.000) 3.182 9.656 ( 0.932 3.043 0.000) 3.182 9.818 ( -1.547 9.536 0.000) 9.660 9.818 ( 1.547 9.536 0.000) 9.660 9.984 ( -0.521 6.406 0.000) 6.427 9.984 ( 0.521 6.406 0.000) 6.427 17.002 ( -0.321 4.063 0.000) 4.076 17.002 ( 0.321 4.063 0.000) 4.076 17.076 ( -0.179 9.612 0.000) 9.614 17.076 ( 0.179 9.613 0.000) 9.614 17.234 ( -2.322 2.413 0.000) 3.349 17.234 ( 2.322 2.413 0.000) 3.349 17.692 ( -4.564 -1.131 0.000) 4.702 17.692 ( 4.564 -1.131 0.000) 4.702 18.256 ( -1.404 -0.657 0.000) 1.550 18.256 ( 1.404 -0.657 0.000) 1.550 18.654 ( -4.778 -5.596 0.000) 7.358 18.654 ( 4.778 -5.596 0.000) 7.358 20.361 ( -1.068 -0.195 0.000) 1.086 20.361 ( 1.068 -0.195 0.000) 1.086 20.661 ( -0.591 -7.494 0.000) 7.517 20.661 ( 0.591 -7.494 0.000) 7.517 26.883 ( -0.444 -3.107 0.000) 3.138 26.883 ( 0.444 -3.107 0.000) 3.138 26.967 ( -0.708 -4.176 0.000) 4.235 26.967 ( 0.708 -4.176 0.000) 4.235 36.188 ( -1.208 -2.753 0.000) 3.007 36.188 ( 1.208 -2.753 0.000) 3.007 36.661 ( -8.830 -8.520 0.000) 12.270 36.661 ( 8.830 -8.520 0.000) 12.270 38.696 ( -0.609 13.435 0.000) 13.449 38.696 ( 0.609 13.435 0.000) 13.449 38.894 ( -6.391 22.602 0.000) 23.489 38.894 ( 6.391 22.602 0.000) 23.489 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 20.324 0.000) 20.324 0.792 ( 0.000 25.695 0.000) 25.695 1.246 ( 0.000 7.009 0.000) 7.009 1.571 ( 0.000 7.164 0.000) 7.164 1.662 ( 0.000 -2.807 0.000) 2.807 1.705 ( 0.000 2.083 0.000) 2.083 1.917 ( 0.000 13.412 0.000) 13.412 1.975 ( 0.000 5.442 0.000) 5.442 2.059 ( 0.000 26.040 0.000) 26.040 2.211 ( 0.000 12.456 0.000) 12.456 2.277 ( 0.000 20.895 0.000) 20.895 2.279 ( 0.000 7.813 0.000) 7.813 2.687 ( 0.000 -2.295 0.000) 2.295 2.706 ( 0.000 3.626 0.000) 3.626 2.744 ( 0.000 5.122 0.000) 5.122 2.801 ( 0.000 9.675 0.000) 9.675 2.909 ( 0.000 2.202 0.000) 2.202 3.160 ( 0.000 11.210 0.000) 11.210 3.276 ( 0.000 7.586 0.000) 7.586 3.548 ( 0.000 -3.051 0.000) 3.051 3.581 ( 0.000 0.703 0.000) 0.703 3.719 ( 0.000 -3.090 0.000) 3.090 3.787 ( 0.000 -2.771 0.000) 2.771 4.041 ( 0.000 -5.539 0.000) 5.539 4.481 ( 0.000 -3.753 0.000) 3.753 4.665 ( 0.000 -10.646 0.000) 10.646 4.917 ( 0.000 -10.563 0.000) 10.563 4.939 ( 0.000 -16.120 0.000) 16.120 5.373 ( 0.000 -0.288 0.000) 0.288 5.527 ( 0.000 6.399 0.000) 6.399 5.561 ( 0.000 31.736 0.000) 31.736 5.672 ( 0.000 14.619 0.000) 14.619 5.744 ( 0.000 23.732 0.000) 23.732 5.905 ( 0.000 33.361 0.000) 33.361 6.005 ( 0.000 -4.051 0.000) 4.051 6.132 ( 0.000 21.274 0.000) 21.274 6.180 ( 0.000 10.520 0.000) 10.520 6.201 ( 0.000 7.324 0.000) 7.324 6.552 ( 0.000 2.083 0.000) 2.083 6.706 ( 0.000 -3.995 0.000) 3.995 6.947 ( 0.000 0.238 0.000) 0.238 6.949 ( 0.000 4.049 0.000) 4.049 7.491 ( 0.000 -6.178 0.000) 6.178 7.616 ( 0.000 8.175 0.000) 8.175 7.743 ( 0.000 -8.456 0.000) 8.456 8.090 ( 0.000 -6.168 0.000) 6.168 8.142 ( 0.000 -5.112 0.000) 5.112 8.669 ( 0.000 -0.619 0.000) 0.619 9.034 ( 0.000 10.984 0.000) 10.984 9.096 ( 0.000 4.415 0.000) 4.415 9.590 ( 0.000 -2.769 0.000) 2.769 9.722 ( 0.000 8.289 0.000) 8.289 10.079 ( 0.000 15.152 0.000) 15.152 10.122 ( 0.000 8.697 0.000) 8.697 10.188 ( 0.000 13.970 0.000) 13.970 11.186 ( 0.000 1.262 0.000) 1.262 17.077 ( 0.000 4.056 0.000) 4.056 17.113 ( 0.000 0.407 0.000) 0.407 17.183 ( 0.000 2.891 0.000) 2.891 17.303 ( 0.000 10.804 0.000) 10.804 17.423 ( 0.000 5.439 0.000) 5.439 17.430 ( 0.000 -1.201 0.000) 1.201 17.467 ( 0.000 8.169 0.000) 8.169 17.703 ( 0.000 3.826 0.000) 3.826 18.034 ( 0.000 3.891 0.000) 3.891 18.138 ( 0.000 4.347 0.000) 4.347 18.150 ( 0.000 1.458 0.000) 1.458 18.389 ( 0.000 -1.340 0.000) 1.340 20.274 ( 0.000 0.249 0.000) 0.249 20.313 ( 0.000 0.149 0.000) 0.149 20.390 ( 0.000 -1.104 0.000) 1.104 20.523 ( 0.000 -3.370 0.000) 3.370 26.792 ( 0.000 -5.213 0.000) 5.213 26.832 ( 0.000 -5.156 0.000) 5.156 26.843 ( 0.000 -5.991 0.000) 5.991 26.915 ( 0.000 -5.935 0.000) 5.935 36.101 ( 0.000 -2.633 0.000) 2.633 36.164 ( 0.000 -5.656 0.000) 5.656 36.201 ( 0.000 -6.529 0.000) 6.529 36.682 ( 0.000 -15.881 0.000) 15.881 38.967 ( 0.000 16.122 0.000) 16.122 39.024 ( 0.000 14.321 0.000) 14.321 39.146 ( 0.000 22.612 0.000) 22.612 40.526 ( 0.000 -0.435 0.000) 0.435 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 5.885 22.381 0.000) 23.142 0.927 ( 12.431 15.476 0.000) 19.850 1.281 ( 3.442 6.305 0.000) 7.183 1.503 ( -4.824 7.644 0.000) 9.039 1.686 ( 0.592 -1.166 0.000) 1.308 1.713 ( 0.824 2.441 0.000) 2.576 1.914 ( -0.670 7.990 0.000) 8.018 1.940 ( -3.679 5.033 0.000) 6.234 2.048 ( -0.384 27.472 0.000) 27.475 2.166 ( -1.944 14.376 0.000) 14.506 2.273 ( -1.134 22.175 0.000) 22.204 2.331 ( 2.565 7.715 0.000) 8.130 2.629 ( -0.277 -0.124 0.000) 0.303 2.726 ( -0.339 1.133 0.000) 1.183 2.738 ( -0.849 5.511 0.000) 5.576 2.792 ( -0.419 9.691 0.000) 9.700 2.980 ( 3.807 7.066 0.000) 8.027 3.174 ( 2.485 6.616 0.000) 7.068 3.251 ( -2.865 7.087 0.000) 7.644 3.524 ( -1.776 -2.896 0.000) 3.397 3.554 ( -2.342 0.445 0.000) 2.383 3.671 ( -4.678 -2.910 0.000) 5.509 3.833 ( 3.931 -2.745 0.000) 4.795 4.041 ( -0.235 -5.093 0.000) 5.099 4.494 ( 1.331 -4.569 0.000) 4.759 4.650 ( -1.427 -10.470 0.000) 10.567 4.903 ( -1.175 -9.787 0.000) 9.858 4.931 ( -0.756 -14.978 0.000) 14.997 5.387 ( 1.383 -0.024 0.000) 1.383 5.528 ( 0.262 8.604 0.000) 8.608 5.567 ( 0.578 30.760 0.000) 30.766 5.649 ( -2.393 9.415 0.000) 9.714 5.746 ( 0.342 27.092 0.000) 27.094 5.898 ( -0.517 30.283 0.000) 30.288 5.986 ( -1.999 -1.811 0.000) 2.697 6.051 ( -5.605 16.749 0.000) 17.661 6.202 ( 2.098 11.239 0.000) 11.433 6.254 ( 2.913 11.580 0.000) 11.941 6.554 ( 0.130 2.541 0.000) 2.544 6.701 ( -0.674 -2.732 0.000) 2.814 6.916 ( -2.977 5.325 0.000) 6.101 6.935 ( -1.147 0.195 0.000) 1.163 7.513 ( 2.144 -5.766 0.000) 6.152 7.641 ( 1.681 5.503 0.000) 5.754 7.765 ( 3.058 -4.890 0.000) 5.767 8.091 ( 0.167 -5.967 0.000) 5.969 8.135 ( -0.678 -5.132 0.000) 5.176 8.619 ( -6.340 -0.113 0.000) 6.341 9.015 ( -6.322 8.633 0.000) 10.701 9.023 ( -1.111 10.702 0.000) 10.760 9.617 ( 2.555 -1.429 0.000) 2.927 9.733 ( 1.018 8.196 0.000) 8.259 10.063 ( -1.421 14.945 0.000) 15.012 10.119 ( -0.337 9.211 0.000) 9.217 10.186 ( -0.258 13.981 0.000) 13.984 10.844 ( -27.254 17.473 0.000) 32.374 17.079 ( 0.107 4.027 0.000) 4.029 17.097 ( -1.035 1.562 0.000) 1.874 17.199 ( 1.513 3.144 0.000) 3.489 17.307 ( 0.314 11.625 0.000) 11.630 17.379 ( -2.224 2.928 0.000) 3.677 17.388 ( -3.915 13.402 0.000) 13.962 17.494 ( 4.157 0.555 0.000) 4.194 17.758 ( 0.886 -2.587 0.000) 2.734 18.086 ( 4.871 3.417 0.000) 5.950 18.178 ( 3.473 3.125 0.000) 4.672 18.308 ( 12.899 -3.936 0.000) 13.486 18.415 ( 2.577 -1.674 0.000) 3.073 20.311 ( 2.979 -2.010 0.000) 3.594 20.321 ( 0.797 0.155 0.000) 0.812 20.405 ( 1.784 -1.720 0.000) 2.478 20.527 ( 0.351 -3.828 0.000) 3.844 26.792 ( 0.017 -5.184 0.000) 5.184 26.826 ( -0.553 -5.140 0.000) 5.170 26.846 ( 0.229 -6.023 0.000) 6.027 26.903 ( -1.069 -5.856 0.000) 5.953 36.104 ( 0.240 -2.788 0.000) 2.799 36.149 ( -0.902 -5.263 0.000) 5.340 36.246 ( 3.863 -7.254 0.000) 8.218 36.654 ( -2.838 -15.230 0.000) 15.492 38.969 ( 0.381 16.228 0.000) 16.233 39.056 ( 3.251 15.502 0.000) 15.840 39.125 ( -2.031 22.041 0.000) 22.134 40.228 ( -25.677 12.638 0.000) 28.619 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.607 15.744 0.000) 17.485 1.144 ( 6.112 8.064 0.000) 10.119 1.369 ( 5.243 4.151 0.000) 6.687 1.442 ( 0.223 10.930 0.000) 10.932 1.667 ( -1.819 1.222 0.000) 2.191 1.730 ( 0.368 5.448 0.000) 5.460 1.847 ( -4.853 5.125 0.000) 7.059 1.878 ( -2.892 2.522 0.000) 3.837 2.071 ( 2.762 23.142 0.000) 23.307 2.150 ( -0.304 14.986 0.000) 14.989 2.243 ( -0.890 23.667 0.000) 23.683 2.336 ( -2.360 11.345 0.000) 11.588 2.689 ( 2.533 0.264 0.000) 2.546 2.713 ( -1.291 5.883 0.000) 6.023 2.730 ( 3.764 2.465 0.000) 4.499 2.803 ( 1.504 8.548 0.000) 8.679 2.990 ( -1.597 12.323 0.000) 12.426 3.151 ( -7.337 5.934 0.000) 9.437 3.276 ( 6.935 0.093 0.000) 6.935 3.499 ( -0.634 -1.853 0.000) 1.958 3.512 ( -1.520 0.662 0.000) 1.658 3.554 ( -6.854 -2.709 0.000) 7.370 3.914 ( 4.032 -2.902 0.000) 4.967 4.025 ( -1.484 -4.178 0.000) 4.434 4.528 ( 2.026 -6.739 0.000) 7.037 4.614 ( -2.201 -9.953 0.000) 10.194 4.884 ( -0.416 -8.613 0.000) 8.623 4.912 ( -1.157 -12.157 0.000) 12.211 5.426 ( 2.715 1.584 0.000) 3.144 5.538 ( 0.286 17.108 0.000) 17.111 5.578 ( 0.292 26.576 0.000) 26.578 5.586 ( -3.312 0.573 0.000) 3.361 5.766 ( 1.834 28.391 0.000) 28.451 5.894 ( 0.292 22.689 0.000) 22.691 5.915 ( -5.144 15.779 0.000) 16.597 5.961 ( -3.219 6.575 0.000) 7.320 6.252 ( 2.721 11.987 0.000) 12.292 6.294 ( 1.169 11.807 0.000) 11.865 6.560 ( 0.735 4.082 0.000) 4.147 6.664 ( -3.359 2.899 0.000) 4.437 6.866 ( -1.199 3.923 0.000) 4.102 6.905 ( -1.790 0.190 0.000) 1.800 7.565 ( 2.960 -4.782 0.000) 5.624 7.649 ( -0.791 -1.255 0.000) 1.484 7.887 ( 9.199 3.881 0.000) 9.984 8.096 ( 0.354 -5.412 0.000) 5.423 8.118 ( -0.913 -5.234 0.000) 5.313 8.397 ( -14.883 6.329 0.000) 16.173 8.940 ( -0.892 10.661 0.000) 10.698 8.993 ( -1.913 10.140 0.000) 10.319 9.678 ( 3.387 1.400 0.000) 3.665 9.752 ( 0.499 7.211 0.000) 7.228 10.042 ( -0.106 15.334 0.000) 15.335 10.109 ( -0.763 10.845 0.000) 10.872 10.179 ( -0.256 14.001 0.000) 14.004 10.388 ( -16.910 24.195 0.000) 29.518 17.080 ( 0.058 3.950 0.000) 3.951 17.084 ( -0.338 2.987 0.000) 3.006 17.237 ( 2.299 3.385 0.000) 4.092 17.313 ( 0.164 12.817 0.000) 12.818 17.336 ( -2.170 2.833 0.000) 3.568 17.341 ( -1.313 13.624 0.000) 13.687 17.582 ( 4.603 -0.449 0.000) 4.625 17.732 ( -2.736 -2.275 0.000) 3.559 18.194 ( 5.263 2.410 0.000) 5.788 18.245 ( 2.689 1.999 0.000) 3.351 18.481 ( 3.841 -2.755 0.000) 4.727 18.506 ( 5.890 -6.969 0.000) 9.125 20.340 ( 1.034 0.120 0.000) 1.040 20.353 ( 1.017 -1.544 0.000) 1.849 20.461 ( 3.423 -5.543 0.000) 6.515 20.531 ( -0.122 -5.158 0.000) 5.160 26.794 ( 0.199 -5.120 0.000) 5.124 26.813 ( -0.693 -5.082 0.000) 5.129 26.852 ( 0.423 -6.115 0.000) 6.129 26.881 ( -1.083 -5.955 0.000) 6.053 36.110 ( 0.444 -3.242 0.000) 3.272 36.133 ( -0.701 -4.623 0.000) 4.676 36.341 ( 5.758 -8.871 0.000) 10.575 36.575 ( -5.143 -13.449 0.000) 14.399 38.985 ( 1.312 17.068 0.000) 17.118 39.075 ( -2.878 20.531 0.000) 20.731 39.157 ( 7.451 18.487 0.000) 19.933 39.723 ( -23.157 23.445 0.000) 32.953 ======================= Grid point 17 (12/72) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -5.397 9.695 0.000) 11.096 1.127 ( 5.397 9.695 0.000) 11.096 1.457 ( -2.361 3.776 0.000) 4.453 1.457 ( 2.361 3.776 0.000) 4.453 1.682 ( -4.108 10.014 0.000) 10.824 1.682 ( 4.108 10.014 0.000) 10.824 1.822 ( -2.139 1.965 0.000) 2.904 1.822 ( 2.139 1.965 0.000) 2.904 2.130 ( -2.266 15.232 0.000) 15.399 2.130 ( 2.266 15.232 0.000) 15.399 2.266 ( -3.365 20.504 0.000) 20.779 2.266 ( 3.365 20.504 0.000) 20.779 2.697 ( -0.301 3.487 0.000) 3.500 2.697 ( 0.301 3.487 0.000) 3.500 2.824 ( -1.238 5.230 0.000) 5.375 2.824 ( 1.238 5.230 0.000) 5.375 3.004 ( -5.465 8.567 0.000) 10.161 3.004 ( 5.465 8.567 0.000) 10.161 3.415 ( -7.186 -1.359 0.000) 7.313 3.415 ( 7.186 -1.359 0.000) 7.313 3.496 ( -0.294 -0.529 0.000) 0.605 3.496 ( 0.294 -0.529 0.000) 0.605 3.982 ( -2.888 -3.363 0.000) 4.432 3.982 ( 2.888 -3.363 0.000) 4.432 4.570 ( -2.226 -8.854 0.000) 9.130 4.570 ( 2.226 -8.854 0.000) 9.130 4.890 ( -0.902 -9.341 0.000) 9.384 4.890 ( 0.902 -9.341 0.000) 9.384 5.491 ( -3.775 6.701 0.000) 7.691 5.491 ( 3.775 6.701 0.000) 7.691 5.573 ( -0.694 16.020 0.000) 16.035 5.573 ( 0.694 16.020 0.000) 16.035 5.822 ( -3.955 24.540 0.000) 24.857 5.822 ( 3.955 24.540 0.000) 24.857 5.913 ( -1.729 12.347 0.000) 12.468 5.913 ( 1.729 12.347 0.000) 12.468 6.294 ( -1.253 11.858 0.000) 11.924 6.294 ( 1.253 11.858 0.000) 11.924 6.594 ( -2.956 5.962 0.000) 6.655 6.594 ( 2.956 5.962 0.000) 6.655 6.872 ( -1.363 0.905 0.000) 1.637 6.872 ( 1.363 0.905 0.000) 1.637 7.618 ( -2.269 -3.582 0.000) 4.240 7.618 ( 2.269 -3.582 0.000) 4.240 8.093 ( -5.484 -1.847 0.000) 5.787 8.093 ( 5.484 -1.847 0.000) 5.787 8.122 ( -8.526 4.685 0.000) 9.728 8.122 ( 8.526 4.685 0.000) 9.728 8.955 ( -1.741 9.940 0.000) 10.092 8.955 ( 1.741 9.940 0.000) 10.092 9.736 ( -2.209 4.522 0.000) 5.033 9.736 ( 2.209 4.522 0.000) 5.033 10.074 ( -2.883 15.198 0.000) 15.469 10.074 ( 2.883 15.198 0.000) 15.469 10.197 ( -3.481 16.771 0.000) 17.129 10.197 ( 3.481 16.771 0.000) 17.129 17.081 ( -0.036 3.687 0.000) 3.687 17.081 ( 0.036 3.687 0.000) 3.687 17.284 ( -2.456 4.042 0.000) 4.730 17.284 ( 2.456 4.042 0.000) 4.730 17.325 ( -0.504 12.344 0.000) 12.354 17.325 ( 0.504 12.344 0.000) 12.354 17.666 ( -3.930 -1.280 0.000) 4.134 17.666 ( 3.930 -1.280 0.000) 4.134 18.262 ( -1.298 1.798 0.000) 2.218 18.262 ( 1.298 1.798 0.000) 2.218 18.541 ( -1.491 -4.793 0.000) 5.020 18.541 ( 1.491 -4.793 0.000) 5.020 20.356 ( -0.463 -0.241 0.000) 0.522 20.356 ( 0.463 -0.241 0.000) 0.522 20.514 ( -1.774 -6.589 0.000) 6.824 20.514 ( 1.774 -6.589 0.000) 6.824 26.801 ( -0.504 -5.073 0.000) 5.098 26.801 ( 0.504 -5.073 0.000) 5.098 26.863 ( -0.729 -6.114 0.000) 6.157 26.863 ( 0.729 -6.114 0.000) 6.157 36.121 ( -0.589 -3.906 0.000) 3.950 36.121 ( 0.589 -3.906 0.000) 3.950 36.461 ( -6.257 -11.093 0.000) 12.736 36.461 ( 6.257 -11.093 0.000) 12.736 39.022 ( -2.395 18.649 0.000) 18.802 39.022 ( 2.395 18.649 0.000) 18.802 39.362 ( -14.052 22.421 0.000) 26.460 39.362 ( 14.052 22.421 0.000) 26.460 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 19.301 0.000) 19.301 1.311 ( 0.000 26.440 0.000) 26.440 1.442 ( 0.000 11.939 0.000) 11.939 1.660 ( 0.000 2.957 0.000) 2.957 1.711 ( 0.000 6.328 0.000) 6.328 1.755 ( 0.000 3.168 0.000) 3.168 2.034 ( 0.000 2.679 0.000) 2.679 2.037 ( 0.000 7.137 0.000) 7.137 2.409 ( 0.000 8.043 0.000) 8.043 2.449 ( 0.000 7.760 0.000) 7.760 2.511 ( 0.000 4.774 0.000) 4.774 2.614 ( 0.000 13.180 0.000) 13.180 2.709 ( 0.000 10.186 0.000) 10.186 2.769 ( 0.000 2.431 0.000) 2.431 2.832 ( 0.000 3.713 0.000) 3.713 2.929 ( 0.000 3.068 0.000) 3.068 2.984 ( 0.000 7.288 0.000) 7.288 3.345 ( 0.000 7.263 0.000) 7.263 3.435 ( 0.000 7.963 0.000) 7.963 3.493 ( 0.000 -2.240 0.000) 2.240 3.617 ( 0.000 2.817 0.000) 2.817 3.653 ( 0.000 -3.814 0.000) 3.814 3.713 ( 0.000 -4.794 0.000) 4.794 3.912 ( 0.000 -7.948 0.000) 7.948 4.423 ( 0.000 -1.829 0.000) 1.829 4.461 ( 0.000 -9.129 0.000) 9.129 4.640 ( 0.000 -13.817 0.000) 13.817 4.729 ( 0.000 -8.622 0.000) 8.622 5.377 ( 0.000 0.951 0.000) 0.951 5.596 ( 0.000 3.251 0.000) 3.251 5.759 ( 0.000 2.719 0.000) 2.719 5.864 ( 0.000 -4.686 0.000) 4.686 5.965 ( 0.000 7.931 0.000) 7.931 6.001 ( 0.000 2.532 0.000) 2.532 6.257 ( 0.000 0.731 0.000) 0.731 6.312 ( 0.000 3.645 0.000) 3.645 6.537 ( 0.000 16.047 0.000) 16.047 6.614 ( 0.000 22.116 0.000) 22.116 6.640 ( 0.000 -1.964 0.000) 1.964 6.733 ( 0.000 15.082 0.000) 15.082 7.013 ( 0.000 7.097 0.000) 7.097 7.027 ( 0.000 3.369 0.000) 3.369 7.334 ( 0.000 -9.990 0.000) 9.990 7.541 ( 0.000 -10.137 0.000) 10.137 7.773 ( 0.000 6.024 0.000) 6.024 8.003 ( 0.000 -2.798 0.000) 2.798 8.126 ( 0.000 4.190 0.000) 4.190 8.640 ( 0.000 -2.449 0.000) 2.449 9.212 ( 0.000 6.934 0.000) 6.934 9.326 ( 0.000 17.866 0.000) 17.866 9.536 ( 0.000 -2.746 0.000) 2.746 9.892 ( 0.000 7.632 0.000) 7.632 10.376 ( 0.000 17.260 0.000) 17.260 10.422 ( 0.000 19.817 0.000) 19.817 10.510 ( 0.000 18.251 0.000) 18.251 11.209 ( 0.000 0.818 0.000) 0.818 17.123 ( 0.000 0.654 0.000) 0.654 17.143 ( 0.000 2.839 0.000) 2.839 17.191 ( 0.000 -0.773 0.000) 0.773 17.359 ( 0.000 -2.024 0.000) 2.024 17.506 ( 0.000 2.548 0.000) 2.548 17.508 ( 0.000 5.266 0.000) 5.266 17.610 ( 0.000 4.422 0.000) 4.422 17.726 ( 0.000 -1.135 0.000) 1.135 18.170 ( 0.000 9.671 0.000) 9.671 18.236 ( 0.000 7.466 0.000) 7.466 18.272 ( 0.000 8.520 0.000) 8.520 18.403 ( 0.000 2.994 0.000) 2.994 20.282 ( 0.000 0.558 0.000) 0.558 20.320 ( 0.000 0.633 0.000) 0.633 20.366 ( 0.000 -1.288 0.000) 1.288 20.458 ( 0.000 -3.119 0.000) 3.119 26.690 ( 0.000 -4.913 0.000) 4.913 26.724 ( 0.000 -5.865 0.000) 5.865 26.725 ( 0.000 -5.471 0.000) 5.471 26.789 ( 0.000 -6.614 0.000) 6.614 36.055 ( 0.000 -1.895 0.000) 1.895 36.055 ( 0.000 -5.194 0.000) 5.194 36.075 ( 0.000 -6.016 0.000) 6.016 36.400 ( 0.000 -12.675 0.000) 12.675 39.268 ( 0.000 13.867 0.000) 13.867 39.295 ( 0.000 12.575 0.000) 12.575 39.578 ( 0.000 21.095 0.000) 21.095 40.498 ( 0.000 -2.779 0.000) 2.779 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.17 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 5.416 15.692 0.000) 16.601 1.319 ( 0.826 23.339 0.000) 23.354 1.461 ( 1.778 11.495 0.000) 11.631 1.668 ( 1.682 7.125 0.000) 7.321 1.704 ( -1.227 4.688 0.000) 4.846 1.769 ( 1.524 3.696 0.000) 3.998 2.018 ( -1.978 7.583 0.000) 7.836 2.019 ( -1.445 4.470 0.000) 4.698 2.396 ( -0.554 9.259 0.000) 9.276 2.450 ( -4.330 7.217 0.000) 8.417 2.485 ( 2.687 6.769 0.000) 7.283 2.632 ( 1.526 5.063 0.000) 5.288 2.711 ( -1.032 17.732 0.000) 17.762 2.754 ( 0.504 2.137 0.000) 2.196 2.828 ( -0.470 3.868 0.000) 3.897 2.921 ( -0.698 2.938 0.000) 3.020 3.072 ( 6.886 3.838 0.000) 7.883 3.314 ( -2.926 6.333 0.000) 6.976 3.401 ( -3.739 7.519 0.000) 8.397 3.487 ( 0.116 -0.482 0.000) 0.495 3.558 ( -4.694 -1.088 0.000) 4.819 3.643 ( -1.670 0.732 0.000) 1.824 3.759 ( 3.853 -4.851 0.000) 6.194 3.918 ( 0.430 -7.666 0.000) 7.678 4.422 ( -0.114 -2.462 0.000) 2.465 4.455 ( -0.648 -8.598 0.000) 8.622 4.646 ( 0.639 -13.381 0.000) 13.396 4.723 ( -0.620 -8.579 0.000) 8.601 5.385 ( 1.009 0.882 0.000) 1.340 5.606 ( 1.022 3.184 0.000) 3.344 5.726 ( -3.116 2.643 0.000) 4.086 5.881 ( 1.254 -6.545 0.000) 6.664 5.944 ( -1.734 9.930 0.000) 10.080 6.010 ( 0.927 3.075 0.000) 3.212 6.230 ( -2.553 1.242 0.000) 2.839 6.274 ( -3.422 4.907 0.000) 5.982 6.541 ( 0.435 14.508 0.000) 14.514 6.588 ( -1.240 10.829 0.000) 10.899 6.685 ( 2.804 8.104 0.000) 8.576 6.735 ( 0.219 14.446 0.000) 14.448 7.004 ( -0.919 7.203 0.000) 7.261 7.013 ( -1.327 3.875 0.000) 4.096 7.362 ( 2.738 -9.665 0.000) 10.045 7.542 ( -0.180 -9.752 0.000) 9.754 7.828 ( 5.600 5.595 0.000) 7.916 8.012 ( 0.935 -2.253 0.000) 2.439 8.116 ( -1.027 3.776 0.000) 3.913 8.594 ( -5.024 -2.337 0.000) 5.541 9.179 ( -2.261 8.598 0.000) 8.890 9.308 ( -1.833 17.477 0.000) 17.573 9.589 ( 4.770 -1.600 0.000) 5.031 9.892 ( -0.174 6.718 0.000) 6.720 10.379 ( 0.341 17.383 0.000) 17.386 10.411 ( -0.809 20.433 0.000) 20.449 10.508 ( -0.170 18.235 0.000) 18.235 11.069 ( -12.694 7.198 0.000) 14.592 17.123 ( 0.205 1.217 0.000) 1.234 17.144 ( 0.102 2.838 0.000) 2.840 17.218 ( 2.267 -0.487 0.000) 2.319 17.370 ( 0.480 -1.770 0.000) 1.834 17.488 ( -0.015 4.343 0.000) 4.343 17.545 ( 2.251 3.656 0.000) 4.293 17.591 ( -1.517 6.043 0.000) 6.231 17.721 ( -0.658 -1.680 0.000) 1.804 18.208 ( 3.608 8.826 0.000) 9.535 18.269 ( 2.652 6.262 0.000) 6.800 18.340 ( 6.272 6.000 0.000) 8.680 18.423 ( 1.937 2.721 0.000) 3.340 20.294 ( 1.287 -0.026 0.000) 1.288 20.328 ( 0.716 0.548 0.000) 0.902 20.375 ( 0.820 -1.475 0.000) 1.688 20.457 ( -0.226 -3.236 0.000) 3.243 26.690 ( 0.034 -4.927 0.000) 4.928 26.719 ( -0.425 -5.451 0.000) 5.468 26.726 ( 0.127 -5.849 0.000) 5.851 26.780 ( -0.890 -6.449 0.000) 6.510 36.047 ( -0.296 -4.787 0.000) 4.796 36.054 ( -0.097 -2.077 0.000) 2.080 36.107 ( 2.699 -6.649 0.000) 7.176 36.382 ( -1.828 -12.285 0.000) 12.420 39.274 ( 0.989 14.172 0.000) 14.207 39.342 ( 4.621 12.978 0.000) 13.776 39.547 ( -3.054 20.579 0.000) 20.804 40.353 ( -13.707 1.737 0.000) 13.816 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.720 9.943 0.000) 10.308 1.337 ( 0.863 16.791 0.000) 16.813 1.505 ( 2.630 9.385 0.000) 9.746 1.651 ( -3.990 5.213 0.000) 6.565 1.754 ( 6.955 12.247 0.000) 14.084 1.817 ( 3.292 5.252 0.000) 6.198 1.963 ( -3.481 7.457 0.000) 8.229 1.978 ( -2.853 8.714 0.000) 9.169 2.385 ( -1.968 9.139 0.000) 9.349 2.387 ( -0.605 9.448 0.000) 9.467 2.538 ( 2.691 7.825 0.000) 8.275 2.660 ( -3.138 11.809 0.000) 12.219 2.685 ( 3.563 2.719 0.000) 4.481 2.801 ( 3.560 6.125 0.000) 7.084 2.807 ( -1.802 4.166 0.000) 4.539 2.908 ( -0.666 1.829 0.000) 1.946 3.186 ( 2.936 5.341 0.000) 6.095 3.267 ( 0.275 1.377 0.000) 1.404 3.294 ( -6.383 7.837 0.000) 10.107 3.456 ( -5.623 -3.555 0.000) 6.652 3.510 ( 2.121 2.672 0.000) 3.412 3.600 ( -2.282 4.100 0.000) 4.692 3.836 ( 3.614 -5.234 0.000) 6.360 3.919 ( -0.553 -6.858 0.000) 6.880 4.419 ( -0.057 -3.948 0.000) 3.948 4.438 ( -0.934 -7.277 0.000) 7.336 4.664 ( 1.131 -12.165 0.000) 12.218 4.707 ( -0.921 -9.058 0.000) 9.105 5.424 ( 3.119 1.017 0.000) 3.280 5.604 ( -3.483 1.978 0.000) 4.006 5.684 ( 1.360 3.386 0.000) 3.649 5.849 ( -4.289 -0.083 0.000) 4.290 5.961 ( 3.299 3.984 0.000) 5.172 6.034 ( 1.232 3.849 0.000) 4.041 6.170 ( -3.153 2.190 0.000) 3.839 6.200 ( -3.778 5.967 0.000) 7.062 6.551 ( 0.467 11.592 0.000) 11.601 6.570 ( -0.677 8.622 0.000) 8.649 6.731 ( 1.756 9.585 0.000) 9.744 6.743 ( 0.511 12.863 0.000) 12.873 6.981 ( -1.231 7.324 0.000) 7.427 6.983 ( -1.532 5.446 0.000) 5.658 7.427 ( 3.568 -9.216 0.000) 9.883 7.528 ( -1.292 -9.182 0.000) 9.272 7.976 ( 8.273 3.613 0.000) 9.028 8.044 ( 3.281 0.007 0.000) 3.281 8.089 ( -1.612 2.647 0.000) 3.099 8.440 ( -10.374 -0.488 0.000) 10.386 9.160 ( 0.685 11.940 0.000) 11.959 9.259 ( -3.021 16.350 0.000) 16.627 9.698 ( 5.943 0.294 0.000) 5.951 9.874 ( -2.031 4.420 0.000) 4.864 10.389 ( 0.710 17.779 0.000) 17.794 10.404 ( 0.126 20.801 0.000) 20.802 10.511 ( 1.084 19.016 0.000) 19.047 10.796 ( -13.500 16.704 0.000) 21.477 17.132 ( 0.613 2.145 0.000) 2.231 17.145 ( 0.007 2.867 0.000) 2.867 17.267 ( 2.599 -0.062 0.000) 2.600 17.358 ( -1.645 -0.706 0.000) 1.790 17.507 ( 1.544 5.540 0.000) 5.751 17.562 ( -1.373 7.206 0.000) 7.335 17.596 ( 2.969 2.104 0.000) 3.639 17.697 ( -1.776 -1.160 0.000) 2.121 18.289 ( 3.929 7.126 0.000) 8.137 18.322 ( 2.248 5.753 0.000) 6.177 18.460 ( 4.752 1.974 0.000) 5.146 18.471 ( 2.611 1.983 0.000) 3.279 20.328 ( 1.937 -0.756 0.000) 2.080 20.344 ( 0.816 0.293 0.000) 0.867 20.393 ( 0.947 -2.215 0.000) 2.409 20.445 ( -1.043 -3.523 0.000) 3.674 26.692 ( 0.199 -4.981 0.000) 4.985 26.709 ( -0.585 -5.252 0.000) 5.285 26.731 ( 0.364 -5.962 0.000) 5.973 26.759 ( -1.068 -6.190 0.000) 6.281 36.045 ( 0.034 -4.088 0.000) 4.088 36.051 ( -0.168 -2.583 0.000) 2.588 36.173 ( 3.991 -7.974 0.000) 8.917 36.331 ( -3.372 -11.186 0.000) 11.683 39.310 ( 2.748 15.445 0.000) 15.688 39.469 ( -4.609 19.171 0.000) 19.717 39.477 ( 9.329 13.424 0.000) 16.347 40.030 ( -17.705 9.091 0.000) 19.903 ======================= Grid point 24 (16/72) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.044 11.018 0.000) 11.018 1.347 ( 0.044 11.018 0.000) 11.018 1.568 ( -3.982 6.901 0.000) 7.967 1.568 ( 3.982 6.901 0.000) 7.967 1.886 ( -0.623 8.307 0.000) 8.330 1.886 ( 0.623 8.307 0.000) 8.330 1.897 ( -2.821 10.728 0.000) 11.093 1.897 ( 2.821 10.728 0.000) 11.093 2.373 ( -0.471 9.284 0.000) 9.296 2.373 ( 0.471 9.284 0.000) 9.296 2.594 ( -3.204 10.622 0.000) 11.095 2.594 ( 3.204 10.622 0.000) 11.095 2.758 ( -3.256 3.153 0.000) 4.532 2.758 ( 3.256 3.153 0.000) 4.532 2.875 ( -3.200 1.738 0.000) 3.641 2.875 ( 3.200 1.738 0.000) 3.641 3.202 ( -2.002 9.766 0.000) 9.969 3.202 ( 2.002 9.766 0.000) 9.969 3.345 ( -5.526 -3.996 0.000) 6.820 3.345 ( 5.526 -3.996 0.000) 6.820 3.556 ( -2.335 4.528 0.000) 5.095 3.556 ( 2.335 4.528 0.000) 5.095 3.893 ( -2.137 -5.941 0.000) 6.313 3.893 ( 2.137 -5.941 0.000) 6.313 4.423 ( -0.514 -5.637 0.000) 5.661 4.423 ( 0.514 -5.637 0.000) 5.661 4.687 ( -1.163 -10.492 0.000) 10.556 4.687 ( 1.163 -10.492 0.000) 10.556 5.507 ( -5.154 1.465 0.000) 5.359 5.507 ( 5.154 1.465 0.000) 5.359 5.755 ( -4.799 2.689 0.000) 5.501 5.755 ( 4.799 2.689 0.000) 5.501 6.028 ( -2.586 2.599 0.000) 3.667 6.028 ( 2.586 2.599 0.000) 3.667 6.144 ( -1.319 4.958 0.000) 5.130 6.144 ( 1.319 4.958 0.000) 5.130 6.560 ( -0.471 9.288 0.000) 9.300 6.560 ( 0.471 9.288 0.000) 9.300 6.749 ( -0.104 10.888 0.000) 10.889 6.749 ( 0.104 10.888 0.000) 10.889 6.966 ( -0.042 6.943 0.000) 6.943 6.966 ( 0.042 6.943 0.000) 6.943 7.490 ( -2.649 -9.047 0.000) 9.427 7.490 ( 2.649 -9.047 0.000) 9.427 8.055 ( -1.952 1.069 0.000) 2.226 8.055 ( 1.952 1.069 0.000) 2.226 8.217 ( -11.708 2.392 0.000) 11.950 8.217 ( 11.708 2.392 0.000) 11.950 9.199 ( -2.863 14.527 0.000) 14.806 9.199 ( 2.863 14.527 0.000) 14.806 9.806 ( -4.796 2.174 0.000) 5.265 9.806 ( 4.796 2.174 0.000) 5.265 10.403 ( -0.491 18.838 0.000) 18.844 10.403 ( 0.491 18.838 0.000) 18.844 10.587 ( -7.392 20.415 0.000) 21.712 10.587 ( 7.392 20.415 0.000) 21.712 17.142 ( -0.362 2.721 0.000) 2.745 17.142 ( 0.362 2.721 0.000) 2.745 17.316 ( -2.431 -0.098 0.000) 2.433 17.316 ( 2.431 -0.098 0.000) 2.433 17.536 ( -1.354 6.874 0.000) 7.006 17.536 ( 1.354 6.874 0.000) 7.006 17.653 ( -2.695 0.249 0.000) 2.707 17.653 ( 2.695 0.249 0.000) 2.707 18.338 ( -0.836 5.951 0.000) 6.009 18.338 ( 0.836 5.951 0.000) 6.009 18.504 ( -0.161 1.225 0.000) 1.235 18.504 ( 0.161 1.225 0.000) 1.235 20.352 ( -0.259 -0.155 0.000) 0.302 20.352 ( 0.259 -0.155 0.000) 0.302 20.417 ( -1.610 -3.460 0.000) 3.816 20.417 ( 1.610 -3.460 0.000) 3.816 26.698 ( -0.452 -5.090 0.000) 5.110 26.698 ( 0.452 -5.090 0.000) 5.110 26.741 ( -0.743 -6.047 0.000) 6.092 26.741 ( 0.743 -6.047 0.000) 6.092 36.048 ( -0.166 -3.304 0.000) 3.308 36.048 ( 0.166 -3.304 0.000) 3.308 36.255 ( -4.222 -9.619 0.000) 10.504 36.255 ( 4.222 -9.619 0.000) 10.504 39.380 ( -4.262 17.276 0.000) 17.794 39.380 ( 4.262 17.276 0.000) 17.794 39.709 ( -14.497 12.840 0.000) 19.366 39.709 ( 14.497 12.840 0.000) 19.366 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.000 14.363 0.000) 14.363 1.650 ( 0.000 8.024 0.000) 8.024 1.704 ( 0.000 8.179 0.000) 8.179 1.772 ( 0.000 -0.181 0.000) 0.181 1.784 ( 0.000 9.860 0.000) 9.860 1.891 ( 0.000 14.648 0.000) 14.648 2.110 ( 0.000 4.635 0.000) 4.635 2.163 ( 0.000 0.800 0.000) 0.800 2.507 ( 0.000 3.324 0.000) 3.324 2.530 ( 0.000 4.459 0.000) 4.459 2.558 ( 0.000 3.384 0.000) 3.384 2.767 ( 0.000 -1.384 0.000) 1.384 2.805 ( 0.000 5.022 0.000) 5.022 2.844 ( 0.000 2.730 0.000) 2.730 2.883 ( 0.000 1.462 0.000) 1.462 2.935 ( 0.000 -1.676 0.000) 1.676 3.203 ( 0.000 11.548 0.000) 11.548 3.413 ( 0.000 -0.695 0.000) 0.695 3.484 ( 0.000 1.723 0.000) 1.723 3.551 ( 0.000 1.438 0.000) 1.438 3.601 ( 0.000 1.609 0.000) 1.609 3.609 ( 0.000 -5.439 0.000) 5.439 3.667 ( 0.000 1.665 0.000) 1.665 3.736 ( 0.000 -9.509 0.000) 9.509 4.330 ( 0.000 -4.107 0.000) 4.107 4.417 ( 0.000 -8.774 0.000) 8.774 4.417 ( 0.000 1.340 0.000) 1.340 4.581 ( 0.000 -6.634 0.000) 6.634 5.421 ( 0.000 3.836 0.000) 3.836 5.671 ( 0.000 4.446 0.000) 4.446 5.702 ( 0.000 -9.391 0.000) 9.391 5.795 ( 0.000 0.459 0.000) 0.459 6.013 ( 0.000 0.326 0.000) 0.326 6.117 ( 0.000 6.818 0.000) 6.818 6.174 ( 0.000 -6.296 0.000) 6.296 6.324 ( 0.000 -2.536 0.000) 2.536 6.669 ( 0.000 5.416 0.000) 5.416 6.741 ( 0.000 8.046 0.000) 8.046 6.892 ( 0.000 6.680 0.000) 6.680 6.927 ( 0.000 3.717 0.000) 3.717 7.064 ( 0.000 0.348 0.000) 0.348 7.120 ( 0.000 -10.637 0.000) 10.637 7.151 ( 0.000 5.231 0.000) 5.231 7.347 ( 0.000 -8.973 0.000) 8.973 7.871 ( 0.000 4.116 0.000) 4.116 7.967 ( 0.000 -1.363 0.000) 1.363 8.276 ( 0.000 9.529 0.000) 9.529 8.571 ( 0.000 -4.758 0.000) 4.758 9.341 ( 0.000 5.815 0.000) 5.815 9.486 ( 0.000 -2.499 0.000) 2.499 9.665 ( 0.000 15.488 0.000) 15.488 9.974 ( 0.000 0.275 0.000) 0.275 10.748 ( 0.000 19.126 0.000) 19.126 10.794 ( 0.000 16.066 0.000) 16.066 10.839 ( 0.000 13.601 0.000) 13.601 11.195 ( 0.000 -3.079 0.000) 3.079 17.138 ( 0.000 0.878 0.000) 0.878 17.174 ( 0.000 -0.900 0.000) 0.900 17.197 ( 0.000 2.929 0.000) 2.929 17.313 ( 0.000 -2.607 0.000) 2.607 17.529 ( 0.000 0.294 0.000) 0.294 17.549 ( 0.000 -0.245 0.000) 0.245 17.642 ( 0.000 0.068 0.000) 0.068 17.685 ( 0.000 -2.458 0.000) 2.458 18.366 ( 0.000 9.168 0.000) 9.168 18.396 ( 0.000 7.311 0.000) 7.311 18.424 ( 0.000 6.008 0.000) 6.008 18.478 ( 0.000 3.323 0.000) 3.323 20.296 ( 0.000 0.905 0.000) 0.905 20.338 ( 0.000 1.157 0.000) 1.157 20.341 ( 0.000 -1.296 0.000) 1.296 20.405 ( 0.000 -2.366 0.000) 2.366 26.616 ( 0.000 -2.346 0.000) 2.346 26.629 ( 0.000 -3.536 0.000) 3.536 26.633 ( 0.000 -3.616 0.000) 3.616 26.672 ( 0.000 -4.995 0.000) 4.995 35.972 ( 0.000 -3.039 0.000) 3.039 35.980 ( 0.000 -3.536 0.000) 3.536 36.038 ( 0.000 0.399 0.000) 0.399 36.196 ( 0.000 -8.240 0.000) 8.240 39.481 ( 0.000 7.657 0.000) 7.657 39.490 ( 0.000 7.043 0.000) 7.043 39.951 ( 0.000 16.890 0.000) 16.890 40.408 ( 0.000 -6.703 0.000) 6.703 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -0.059 11.847 0.000) 11.847 1.620 ( -2.599 8.057 0.000) 8.465 1.686 ( -1.580 6.242 0.000) 6.439 1.741 ( -2.015 0.478 0.000) 2.071 1.855 ( 5.946 10.151 0.000) 11.764 1.930 ( 3.510 14.660 0.000) 15.074 2.131 ( 1.954 6.145 0.000) 6.448 2.182 ( 1.474 3.808 0.000) 4.084 2.470 ( -2.571 3.174 0.000) 4.085 2.532 ( 0.088 4.834 0.000) 4.835 2.577 ( 1.846 2.624 0.000) 3.208 2.747 ( -2.653 0.822 0.000) 2.778 2.785 ( 0.184 4.072 0.000) 4.076 2.884 ( 0.006 1.696 0.000) 1.696 2.887 ( 2.180 0.468 0.000) 2.230 2.923 ( -1.078 -1.678 0.000) 1.994 3.209 ( 0.654 9.213 0.000) 9.236 3.381 ( -2.461 0.370 0.000) 2.489 3.501 ( -4.664 0.685 0.000) 4.714 3.509 ( 2.450 2.367 0.000) 3.406 3.540 ( -5.132 1.788 0.000) 5.434 3.652 ( 3.545 -5.641 0.000) 6.662 3.672 ( -0.113 1.175 0.000) 1.180 3.754 ( 1.374 -8.027 0.000) 8.144 4.334 ( 0.366 -3.616 0.000) 3.635 4.407 ( -0.964 1.071 0.000) 1.441 4.429 ( 1.175 -8.632 0.000) 8.711 4.572 ( -0.928 -6.839 0.000) 6.901 5.432 ( 1.297 4.107 0.000) 4.307 5.677 ( 0.474 4.042 0.000) 4.069 5.716 ( 1.306 -9.215 0.000) 9.307 5.766 ( -2.706 1.130 0.000) 2.933 6.025 ( 1.219 -0.044 0.000) 1.220 6.099 ( -1.647 6.616 0.000) 6.818 6.157 ( -1.552 -5.801 0.000) 6.005 6.297 ( -2.609 -2.203 0.000) 3.415 6.665 ( -0.252 5.571 0.000) 5.576 6.729 ( -1.184 7.659 0.000) 7.750 6.899 ( 0.496 5.406 0.000) 5.429 6.920 ( -0.703 3.247 0.000) 3.322 7.047 ( -0.840 -0.478 0.000) 0.966 7.141 ( -1.038 5.272 0.000) 5.373 7.163 ( 3.495 -8.927 0.000) 9.587 7.350 ( 0.009 -9.007 0.000) 9.007 7.917 ( 4.609 3.551 0.000) 5.819 7.988 ( 2.147 -0.721 0.000) 2.265 8.252 ( -2.324 8.682 0.000) 8.988 8.527 ( -4.520 -4.619 0.000) 6.462 9.343 ( 0.989 7.846 0.000) 7.908 9.549 ( 5.589 -2.770 0.000) 6.238 9.642 ( -2.357 15.384 0.000) 15.564 9.958 ( -1.678 -0.304 0.000) 1.705 10.748 ( 0.074 18.696 0.000) 18.696 10.791 ( -0.262 16.201 0.000) 16.203 10.837 ( -0.103 13.574 0.000) 13.574 11.141 ( -5.125 -0.197 0.000) 5.129 17.148 ( 1.031 1.366 0.000) 1.711 17.199 ( 0.122 2.961 0.000) 2.963 17.200 ( 2.269 -1.164 0.000) 2.550 17.322 ( 0.550 -2.922 0.000) 2.973 17.528 ( 0.676 1.050 0.000) 1.249 17.576 ( 2.090 -0.516 0.000) 2.153 17.637 ( -0.478 0.322 0.000) 0.577 17.684 ( -0.134 -2.158 0.000) 2.162 18.391 ( 2.300 8.642 0.000) 8.942 18.412 ( 1.769 7.136 0.000) 7.352 18.462 ( 3.340 5.003 0.000) 6.015 18.494 ( 1.602 3.267 0.000) 3.638 20.302 ( 0.719 0.788 0.000) 1.066 20.343 ( 0.466 1.002 0.000) 1.105 20.347 ( 0.598 -1.380 0.000) 1.505 20.403 ( -0.194 -2.254 0.000) 2.262 26.615 ( -0.059 -2.428 0.000) 2.428 26.628 ( -0.150 -3.497 0.000) 3.500 26.631 ( -0.075 -3.620 0.000) 3.621 26.666 ( -0.580 -4.818 0.000) 4.853 35.973 ( 0.328 -2.603 0.000) 2.624 36.000 ( 1.748 -4.082 0.000) 4.441 36.033 ( -0.459 0.215 0.000) 0.507 36.184 ( -1.228 -8.004 0.000) 8.097 39.498 ( 2.056 8.379 0.000) 8.628 39.536 ( 4.410 6.571 0.000) 7.914 39.908 ( -4.172 16.226 0.000) 16.754 40.321 ( -8.423 -4.736 0.000) 9.663 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.173 8.650 0.000) 8.652 1.566 ( -2.645 7.458 0.000) 7.913 1.657 ( -1.048 3.623 0.000) 3.772 1.694 ( -2.542 -0.005 0.000) 2.542 1.996 ( 7.369 11.026 0.000) 13.262 2.009 ( 4.206 13.872 0.000) 14.495 2.170 ( 1.539 9.285 0.000) 9.412 2.190 ( -1.096 11.680 0.000) 11.731 2.454 ( 1.215 1.381 0.000) 1.840 2.524 ( -1.072 4.933 0.000) 5.048 2.623 ( 2.665 1.245 0.000) 2.941 2.700 ( -1.833 0.865 0.000) 2.027 2.790 ( 0.268 2.611 0.000) 2.624 2.866 ( -2.334 1.315 0.000) 2.679 2.909 ( 0.013 -0.497 0.000) 0.498 2.910 ( 0.407 0.535 0.000) 0.672 3.234 ( 2.053 4.081 0.000) 4.568 3.341 ( -1.366 2.178 0.000) 2.571 3.399 ( -5.077 0.565 0.000) 5.108 3.421 ( -6.510 1.563 0.000) 6.695 3.570 ( 3.398 2.944 0.000) 4.496 3.661 ( -1.045 1.859 0.000) 2.132 3.720 ( 3.068 -5.982 0.000) 6.723 3.773 ( 0.360 -6.983 0.000) 6.992 4.343 ( 0.642 -2.338 0.000) 2.425 4.384 ( -1.341 0.346 0.000) 1.384 4.461 ( 2.054 -8.317 0.000) 8.566 4.545 ( -1.800 -7.355 0.000) 7.572 5.477 ( 3.391 4.423 0.000) 5.573 5.657 ( -3.838 3.298 0.000) 5.061 5.729 ( 0.336 1.187 0.000) 1.234 5.743 ( 1.125 -7.695 0.000) 7.777 6.052 ( 0.986 -0.488 0.000) 1.100 6.064 ( -1.582 5.276 0.000) 5.508 6.129 ( -0.473 -3.887 0.000) 3.915 6.232 ( -3.769 -1.739 0.000) 4.150 6.665 ( 0.302 5.799 0.000) 5.807 6.702 ( -1.430 6.865 0.000) 7.012 6.904 ( -0.032 2.797 0.000) 2.797 6.906 ( -0.536 2.267 0.000) 2.330 7.046 ( 0.768 2.082 0.000) 2.219 7.112 ( -1.871 5.184 0.000) 5.511 7.236 ( 3.679 -9.030 0.000) 9.751 7.338 ( -1.271 -9.171 0.000) 9.259 8.029 ( 5.093 2.176 0.000) 5.539 8.061 ( 6.636 0.768 0.000) 6.680 8.191 ( -3.692 6.603 0.000) 7.565 8.401 ( -8.075 -3.341 0.000) 8.739 9.392 ( 3.931 11.234 0.000) 11.902 9.576 ( -4.244 14.897 0.000) 15.490 9.676 ( 6.953 -2.896 0.000) 7.532 9.905 ( -3.903 -1.534 0.000) 4.193 10.753 ( 0.437 17.649 0.000) 17.654 10.783 ( -0.707 16.135 0.000) 16.150 10.847 ( 1.600 13.353 0.000) 13.448 11.020 ( -6.536 5.852 0.000) 8.774 17.173 ( 1.317 2.094 0.000) 2.474 17.200 ( -0.062 2.894 0.000) 2.894 17.248 ( 2.482 -1.538 0.000) 2.920 17.320 ( -0.874 -2.786 0.000) 2.920 17.558 ( 2.080 1.427 0.000) 2.522 17.620 ( 2.198 -0.565 0.000) 2.269 17.623 ( -1.013 0.841 0.000) 1.316 17.677 ( -0.615 -1.470 0.000) 1.594 18.442 ( 2.537 7.572 0.000) 7.986 18.454 ( 1.979 6.847 0.000) 7.127 18.529 ( 2.887 3.376 0.000) 4.443 18.533 ( 2.031 3.034 0.000) 3.651 20.324 ( 1.489 0.311 0.000) 1.521 20.352 ( 0.361 0.539 0.000) 0.649 20.359 ( 0.572 -1.359 0.000) 1.474 20.393 ( -0.893 -1.903 0.000) 2.102 26.614 ( 0.024 -2.646 0.000) 2.646 26.623 ( -0.345 -3.252 0.000) 3.271 26.633 ( 0.215 -3.790 0.000) 3.796 26.653 ( -0.743 -4.432 0.000) 4.494 35.985 ( 0.813 -1.877 0.000) 2.046 36.020 ( -0.815 -0.303 0.000) 0.869 36.044 ( 2.663 -5.093 0.000) 5.747 36.149 ( -2.261 -7.314 0.000) 7.655 39.562 ( 4.546 9.990 0.000) 10.976 39.662 ( 8.495 5.435 0.000) 10.084 39.800 ( -6.509 14.467 0.000) 15.864 40.108 ( -12.561 -0.544 0.000) 12.573 ======================= Grid point 31 (20/72) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -1.442 7.354 0.000) 7.494 1.525 ( 1.442 7.354 0.000) 7.494 1.656 ( -1.079 1.418 0.000) 1.782 1.656 ( 1.079 1.418 0.000) 1.782 2.072 ( -0.972 11.185 0.000) 11.227 2.072 ( 0.973 11.185 0.000) 11.227 2.175 ( -0.594 13.572 0.000) 13.585 2.175 ( 0.594 13.572 0.000) 13.585 2.491 ( -2.073 3.585 0.000) 4.141 2.491 ( 2.073 3.585 0.000) 4.141 2.669 ( -1.807 -0.448 0.000) 1.862 2.669 ( 1.807 -0.448 0.000) 1.862 2.812 ( -2.367 1.836 0.000) 2.996 2.812 ( 2.367 1.836 0.000) 2.996 2.912 ( -0.117 0.796 0.000) 0.804 2.912 ( 0.117 0.796 0.000) 0.804 3.299 ( -4.769 0.247 0.000) 4.776 3.299 ( 4.769 0.247 0.000) 4.776 3.339 ( -1.535 3.099 0.000) 3.458 3.339 ( 1.535 3.099 0.000) 3.458 3.628 ( -2.397 2.614 0.000) 3.547 3.628 ( 2.397 2.614 0.000) 3.547 3.764 ( -1.362 -6.400 0.000) 6.543 3.764 ( 1.362 -6.400 0.000) 6.543 4.360 ( -1.056 -0.830 0.000) 1.343 4.360 ( 1.056 -0.830 0.000) 1.343 4.504 ( -2.271 -7.901 0.000) 8.221 4.504 ( 2.271 -7.901 0.000) 8.221 5.562 ( -5.053 4.077 0.000) 6.493 5.562 ( 5.053 4.077 0.000) 6.493 5.748 ( -0.709 -3.106 0.000) 3.186 5.748 ( 0.709 -3.106 0.000) 3.186 6.051 ( -0.270 1.477 0.000) 1.502 6.051 ( 0.270 1.477 0.000) 1.502 6.161 ( -3.190 -1.874 0.000) 3.700 6.161 ( 3.190 -1.874 0.000) 3.700 6.677 ( -0.990 6.186 0.000) 6.265 6.677 ( 0.990 6.186 0.000) 6.265 6.901 ( -0.045 1.689 0.000) 1.690 6.901 ( 0.045 1.689 0.000) 1.690 7.073 ( -1.906 4.351 0.000) 4.751 7.073 ( 1.906 4.351 0.000) 4.751 7.299 ( -2.699 -9.277 0.000) 9.661 7.299 ( 2.699 -9.277 0.000) 9.661 8.114 ( -4.166 4.022 0.000) 5.790 8.114 ( 4.166 4.022 0.000) 5.790 8.227 ( -9.273 -0.979 0.000) 9.324 8.227 ( 9.273 -0.979 0.000) 9.324 9.483 ( -5.027 13.631 0.000) 14.529 9.483 ( 5.027 13.631 0.000) 14.529 9.806 ( -6.098 -2.504 0.000) 6.593 9.806 ( 6.098 -2.504 0.000) 6.593 10.766 ( -0.863 16.564 0.000) 16.587 10.766 ( 0.863 16.564 0.000) 16.587 10.908 ( -4.619 11.012 0.000) 11.941 10.908 ( 4.619 11.012 0.000) 11.941 17.193 ( -0.701 2.604 0.000) 2.697 17.193 ( 0.701 2.604 0.000) 2.697 17.292 ( -1.914 -2.091 0.000) 2.835 17.292 ( 1.914 -2.091 0.000) 2.835 17.597 ( -1.713 1.252 0.000) 2.122 17.597 ( 1.713 1.252 0.000) 2.122 17.657 ( -1.504 -0.837 0.000) 1.721 17.657 ( 1.504 -0.837 0.000) 1.721 18.473 ( -0.291 6.894 0.000) 6.900 18.473 ( 0.291 6.894 0.000) 6.900 18.557 ( -0.083 2.796 0.000) 2.798 18.557 ( 0.083 2.796 0.000) 2.798 20.351 ( -0.762 0.040 0.000) 0.763 20.351 ( 0.762 0.040 0.000) 0.763 20.372 ( -0.977 -1.408 0.000) 1.714 20.372 ( 0.977 -1.408 0.000) 1.714 26.617 ( -0.221 -2.945 0.000) 2.953 26.617 ( 0.221 -2.945 0.000) 2.953 26.640 ( -0.524 -4.059 0.000) 4.093 26.640 ( 0.524 -4.059 0.000) 4.093 36.003 ( -0.963 -1.053 0.000) 1.427 36.003 ( 0.963 -1.053 0.000) 1.427 36.099 ( -2.829 -6.269 0.000) 6.878 36.099 ( 2.829 -6.269 0.000) 6.878 39.671 ( -6.392 12.178 0.000) 13.754 39.671 ( 6.392 12.178 0.000) 13.754 39.863 ( -11.897 3.176 0.000) 12.314 39.863 ( 11.897 3.176 0.000) 12.314 ======================= Grid point 35 (21/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 -6.370 0.000) 6.370 1.709 ( 0.000 6.370 0.000) 6.370 1.740 ( 0.000 -1.589 0.000) 1.589 1.740 ( 0.000 1.589 0.000) 1.589 2.018 ( 0.000 -12.329 0.000) 12.329 2.018 ( 0.000 12.329 0.000) 12.329 2.130 ( 0.000 -5.360 0.000) 5.360 2.130 ( 0.000 5.360 0.000) 5.360 2.582 ( 0.000 -0.841 0.000) 0.841 2.582 ( 0.000 0.841 0.000) 0.841 2.661 ( 0.000 -8.544 0.000) 8.544 2.661 ( 0.000 8.544 0.000) 8.544 2.864 ( 0.000 -0.657 0.000) 0.657 2.864 ( 0.000 0.657 0.000) 0.657 2.900 ( 0.000 -1.096 0.000) 1.096 2.900 ( 0.000 1.096 0.000) 1.096 3.360 ( 0.000 -4.739 0.000) 4.739 3.360 ( 0.000 4.739 0.000) 4.739 3.526 ( 0.000 -2.774 0.000) 2.774 3.526 ( 0.000 2.774 0.000) 2.774 3.582 ( 0.000 -4.930 0.000) 4.930 3.582 ( 0.000 4.930 0.000) 4.930 3.664 ( 0.000 -2.214 0.000) 2.214 3.664 ( 0.000 2.214 0.000) 2.214 4.309 ( 0.000 -2.166 0.000) 2.166 4.309 ( 0.000 2.166 0.000) 2.166 4.473 ( 0.000 -4.302 0.000) 4.302 4.473 ( 0.000 4.302 0.000) 4.302 5.532 ( 0.000 -7.518 0.000) 7.518 5.532 ( 0.000 7.518 0.000) 7.518 5.758 ( 0.000 -3.902 0.000) 3.902 5.758 ( 0.000 3.902 0.000) 3.902 6.060 ( 0.000 -4.678 0.000) 4.678 6.060 ( 0.000 4.678 0.000) 4.678 6.238 ( 0.000 -5.622 0.000) 5.622 6.238 ( 0.000 5.622 0.000) 5.622 6.829 ( 0.000 -9.762 0.000) 9.762 6.829 ( 0.000 9.762 0.000) 9.762 6.890 ( 0.000 -6.383 0.000) 6.383 6.890 ( 0.000 6.383 0.000) 6.383 7.047 ( 0.000 -1.536 0.000) 1.536 7.047 ( 0.000 1.536 0.000) 1.536 7.225 ( 0.000 -3.714 0.000) 3.714 7.225 ( 0.000 3.714 0.000) 3.714 7.934 ( 0.000 -2.312 0.000) 2.312 7.934 ( 0.000 2.312 0.000) 2.312 8.450 ( 0.000 -7.754 0.000) 7.754 8.450 ( 0.000 7.754 0.000) 7.754 9.430 ( 0.000 -3.462 0.000) 3.462 9.430 ( 0.000 3.462 0.000) 3.462 9.898 ( 0.000 -8.069 0.000) 8.069 9.898 ( 0.000 8.069 0.000) 8.069 10.971 ( 0.000 -1.093 0.000) 1.093 10.971 ( 0.000 1.093 0.000) 1.093 11.057 ( 0.000 -11.619 0.000) 11.619 11.057 ( 0.000 11.619 0.000) 11.619 17.156 ( 0.000 -0.936 0.000) 0.936 17.156 ( 0.000 0.936 0.000) 0.936 17.257 ( 0.000 -3.082 0.000) 3.082 17.257 ( 0.000 3.082 0.000) 3.082 17.535 ( 0.000 -0.635 0.000) 0.635 17.535 ( 0.000 0.635 0.000) 0.635 17.648 ( 0.000 -1.027 0.000) 1.027 17.648 ( 0.000 1.027 0.000) 1.027 18.479 ( 0.000 -0.736 0.000) 0.736 18.479 ( 0.000 0.736 0.000) 0.736 18.489 ( 0.000 -2.841 0.000) 2.841 18.489 ( 0.000 2.841 0.000) 2.841 20.316 ( 0.000 -1.173 0.000) 1.173 20.316 ( 0.000 1.173 0.000) 1.173 20.365 ( 0.000 -1.695 0.000) 1.695 20.365 ( 0.000 1.695 0.000) 1.695 26.595 ( 0.000 -0.131 0.000) 0.131 26.595 ( 0.000 0.131 0.000) 0.131 26.607 ( 0.000 -1.521 0.000) 1.521 26.607 ( 0.000 1.521 0.000) 1.521 35.943 ( 0.000 -0.159 0.000) 0.159 35.943 ( 0.000 0.159 0.000) 0.159 36.078 ( 0.000 -3.929 0.000) 3.929 36.078 ( 0.000 3.929 0.000) 3.929 39.558 ( 0.000 -0.165 0.000) 0.165 39.558 ( 0.000 0.165 0.000) 0.165 40.230 ( 0.000 -11.696 0.000) 11.696 40.230 ( 0.000 11.696 0.000) 11.696 ======================= Grid point 37 (22/72) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -2.044 -6.003 0.000) 6.342 1.685 ( -2.044 6.003 0.000) 6.342 1.712 ( -2.511 -1.875 0.000) 3.133 1.712 ( -2.511 1.875 0.000) 3.133 2.075 ( 5.274 -10.910 0.000) 12.117 2.075 ( 5.274 10.910 0.000) 12.117 2.163 ( 2.952 -5.441 0.000) 6.190 2.163 ( 2.952 5.441 0.000) 6.190 2.590 ( 0.681 -1.205 0.000) 1.384 2.590 ( 0.681 1.205 0.000) 1.384 2.643 ( -1.660 -9.788 0.000) 9.928 2.643 ( -1.660 9.788 0.000) 9.928 2.861 ( -0.280 -2.521 0.000) 2.536 2.861 ( -0.280 2.521 0.000) 2.536 2.898 ( -0.264 -0.420 0.000) 0.496 2.898 ( -0.264 0.420 0.000) 0.496 3.343 ( -1.383 -4.186 0.000) 4.408 3.343 ( -1.383 4.186 0.000) 4.408 3.525 ( -5.003 -3.072 0.000) 5.871 3.525 ( -5.003 3.072 0.000) 5.871 3.563 ( 3.192 -3.333 0.000) 4.615 3.563 ( 3.192 3.333 0.000) 4.615 3.679 ( 0.908 -0.664 0.000) 1.125 3.679 ( 0.908 0.664 0.000) 1.125 4.320 ( 1.103 -2.384 0.000) 2.627 4.320 ( 1.103 2.384 0.000) 2.627 4.461 ( -1.181 -4.355 0.000) 4.512 4.461 ( -1.181 4.355 0.000) 4.512 5.547 ( 1.577 -7.592 0.000) 7.754 5.547 ( 1.577 7.592 0.000) 7.754 5.750 ( -0.913 -2.838 0.000) 2.982 5.750 ( -0.913 2.838 0.000) 2.982 6.056 ( -0.201 -3.772 0.000) 3.777 6.056 ( -0.201 3.772 0.000) 3.777 6.216 ( -2.121 -5.399 0.000) 5.801 6.216 ( -2.121 5.399 0.000) 5.801 6.823 ( -0.482 -9.431 0.000) 9.444 6.823 ( -0.482 9.431 0.000) 9.444 6.875 ( -1.376 -6.515 0.000) 6.658 6.875 ( -1.376 6.515 0.000) 6.658 7.067 ( 1.827 -2.816 0.000) 3.357 7.067 ( 1.827 2.816 0.000) 3.357 7.222 ( -0.460 -4.259 0.000) 4.284 7.222 ( -0.460 4.259 0.000) 4.284 7.968 ( 3.396 -1.650 0.000) 3.776 7.968 ( 3.396 1.650 0.000) 3.776 8.411 ( -3.742 -7.220 0.000) 8.132 8.411 ( -3.742 7.220 0.000) 8.132 9.472 ( 4.084 -5.281 0.000) 6.676 9.472 ( 4.084 5.281 0.000) 6.676 9.875 ( -2.327 -8.242 0.000) 8.565 9.875 ( -2.327 8.242 0.000) 8.565 10.969 ( -0.195 -1.078 0.000) 1.096 10.969 ( -0.195 1.078 0.000) 1.096 11.042 ( -1.458 -10.348 0.000) 10.450 11.042 ( -1.458 10.348 0.000) 10.450 17.175 ( 1.735 -1.363 0.000) 2.206 17.175 ( 1.735 1.363 0.000) 2.206 17.261 ( 0.219 -3.302 0.000) 3.309 17.261 ( 0.219 3.302 0.000) 3.309 17.551 ( 1.583 -1.459 0.000) 2.153 17.551 ( 1.583 1.459 0.000) 2.153 17.648 ( -0.069 -1.198 0.000) 1.200 17.648 ( -0.069 1.198 0.000) 1.200 18.501 ( 2.107 -1.361 0.000) 2.509 18.501 ( 2.107 1.362 0.000) 2.509 18.506 ( 1.687 -2.660 0.000) 3.150 18.506 ( 1.687 2.660 0.000) 3.150 20.322 ( 0.575 -1.190 0.000) 1.321 20.322 ( 0.575 1.190 0.000) 1.321 20.367 ( 0.119 -1.518 0.000) 1.522 20.367 ( 0.119 1.518 0.000) 1.522 26.594 ( -0.095 -0.091 0.000) 0.132 26.594 ( -0.095 0.091 0.000) 0.132 26.604 ( -0.276 -1.379 0.000) 1.407 26.604 ( -0.276 1.379 0.000) 1.407 35.953 ( 0.986 -0.650 0.000) 1.181 35.953 ( 0.986 0.650 0.000) 1.181 36.070 ( -0.821 -3.743 0.000) 3.832 36.070 ( -0.821 3.743 0.000) 3.832 39.591 ( 3.336 -1.040 0.000) 3.494 39.591 ( 3.336 1.040 0.000) 3.494 40.171 ( -5.757 -10.653 0.000) 12.109 40.171 ( -5.757 10.653 0.000) 12.109 ======================= Grid point 39 (23/72) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -1.610 -4.943 0.000) 5.198 1.646 ( -1.610 4.943 0.000) 5.198 1.661 ( -2.324 -2.486 0.000) 3.403 1.661 ( -2.324 2.486 0.000) 3.403 2.192 ( 5.650 -8.178 0.000) 9.940 2.192 ( 5.650 8.178 0.000) 9.940 2.226 ( 2.993 -5.428 0.000) 6.199 2.226 ( 2.993 5.428 0.000) 6.199 2.601 ( 0.243 -3.109 0.000) 3.118 2.601 ( 0.243 3.109 0.000) 3.118 2.609 ( -1.479 -10.083 0.000) 10.191 2.609 ( -1.479 10.083 0.000) 10.191 2.859 ( 0.166 -4.168 0.000) 4.171 2.859 ( 0.166 4.168 0.000) 4.171 2.889 ( -0.695 -1.764 0.000) 1.896 2.889 ( -0.695 1.764 0.000) 1.896 3.321 ( -0.587 -3.592 0.000) 3.639 3.321 ( -0.587 3.592 0.000) 3.639 3.415 ( -5.604 -1.805 0.000) 5.888 3.415 ( -5.604 1.805 0.000) 5.888 3.628 ( 3.109 -3.431 0.000) 4.630 3.628 ( 3.109 3.431 0.000) 4.630 3.689 ( -0.011 -1.910 0.000) 1.910 3.689 ( -0.011 1.910 0.000) 1.910 4.350 ( 1.844 -3.015 0.000) 3.534 4.350 ( 1.844 3.015 0.000) 3.534 4.430 ( -1.950 -4.275 0.000) 4.699 4.430 ( -1.950 4.275 0.000) 4.699 5.592 ( 2.975 -7.199 0.000) 7.790 5.592 ( 2.975 7.199 0.000) 7.790 5.718 ( -2.483 -2.350 0.000) 3.419 5.718 ( -2.483 2.350 0.000) 3.419 6.063 ( 1.154 -2.242 0.000) 2.522 6.063 ( 1.154 2.242 0.000) 2.522 6.163 ( -3.163 -4.715 0.000) 5.678 6.163 ( -3.163 4.715 0.000) 5.678 6.817 ( -0.100 -8.623 0.000) 8.624 6.817 ( -0.100 8.623 0.000) 8.624 6.845 ( -1.482 -6.943 0.000) 7.100 6.845 ( -1.482 6.943 0.000) 7.100 7.111 ( 2.563 -4.400 0.000) 5.092 7.111 ( 2.563 4.400 0.000) 5.092 7.202 ( -1.619 -4.986 0.000) 5.242 7.202 ( -1.619 4.986 0.000) 5.242 8.060 ( 5.886 -0.866 0.000) 5.949 8.060 ( 5.886 0.866 0.000) 5.949 8.313 ( -6.035 -5.540 0.000) 8.192 8.313 ( -6.035 5.540 0.000) 8.192 9.577 ( 6.241 -7.368 0.000) 9.656 9.577 ( 6.241 7.368 0.000) 9.656 9.807 ( -4.567 -8.517 0.000) 9.664 9.807 ( -4.567 8.517 0.000) 9.664 10.968 ( 0.154 -1.811 0.000) 1.818 10.968 ( 0.154 1.811 0.000) 1.818 11.008 ( -1.791 -7.316 0.000) 7.532 11.008 ( -1.791 7.316 0.000) 7.532 17.213 ( 1.931 -1.994 0.000) 2.776 17.213 ( 1.931 1.994 0.000) 2.776 17.260 ( -0.376 -3.196 0.000) 3.218 17.260 ( -0.376 3.196 0.000) 3.218 17.590 ( 2.115 -1.887 0.000) 2.834 17.590 ( 2.115 1.887 0.000) 2.834 17.643 ( -0.495 -1.556 0.000) 1.633 17.643 ( -0.495 1.556 0.000) 1.633 18.545 ( 1.962 -2.362 0.000) 3.070 18.545 ( 1.962 2.362 0.000) 3.070 18.547 ( 2.105 -2.032 0.000) 2.926 18.547 ( 2.105 2.032 0.000) 2.926 20.337 ( 0.925 -0.928 0.000) 1.310 20.337 ( 0.925 0.928 0.000) 1.310 20.366 ( -0.285 -0.984 0.000) 1.024 20.366 ( -0.285 0.984 0.000) 1.024 26.592 ( -0.047 -0.259 0.000) 0.263 26.592 ( -0.047 0.259 0.000) 0.263 26.598 ( -0.322 -1.027 0.000) 1.077 26.598 ( -0.322 1.027 0.000) 1.077 35.980 ( 1.656 -1.461 0.000) 2.208 35.980 ( 1.656 1.461 0.000) 2.208 36.047 ( -1.485 -3.203 0.000) 3.531 36.047 ( -1.485 3.203 0.000) 3.531 39.688 ( 6.588 -2.699 0.000) 7.119 39.688 ( 6.588 2.699 0.000) 7.119 40.022 ( -9.003 -8.092 0.000) 12.105 40.022 ( -9.003 8.092 0.000) 12.105 ======================= Grid point 41 (24/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.390 -3.555 0.000) 3.576 1.633 ( 0.390 -3.555 0.000) 3.576 1.633 ( -0.390 3.555 0.000) 3.576 1.633 ( 0.390 3.555 0.000) 3.576 2.256 ( -0.545 -5.634 0.000) 5.660 2.256 ( 0.545 -5.634 0.000) 5.660 2.256 ( -0.545 5.634 0.000) 5.660 2.256 ( 0.545 5.634 0.000) 5.660 2.598 ( -0.250 -6.839 0.000) 6.844 2.598 ( 0.250 -6.839 0.000) 6.844 2.598 ( -0.250 6.839 0.000) 6.844 2.598 ( 0.250 6.839 0.000) 6.844 2.871 ( -0.999 -4.150 0.000) 4.269 2.871 ( 0.999 -4.150 0.000) 4.269 2.871 ( -0.999 4.150 0.000) 4.269 2.871 ( 0.999 4.150 0.000) 4.269 3.334 ( -2.311 -2.457 0.000) 3.373 3.334 ( 2.311 -2.457 0.000) 3.373 3.334 ( -2.311 2.457 0.000) 3.373 3.334 ( 2.311 2.457 0.000) 3.373 3.674 ( -1.554 -2.848 0.000) 3.245 3.674 ( 1.554 -2.848 0.000) 3.245 3.674 ( -1.554 2.848 0.000) 3.245 3.674 ( 1.554 2.848 0.000) 3.245 4.389 ( -2.145 -3.789 0.000) 4.354 4.389 ( 2.145 -3.789 0.000) 4.354 4.389 ( -2.145 3.789 0.000) 4.354 4.389 ( 2.145 3.789 0.000) 4.354 5.657 ( -3.474 -5.375 0.000) 6.400 5.657 ( 3.474 -5.375 0.000) 6.400 5.657 ( -3.474 5.375 0.000) 6.400 5.657 ( 3.474 5.375 0.000) 6.400 6.102 ( -2.762 -3.433 0.000) 4.407 6.102 ( 2.762 -3.433 0.000) 4.407 6.102 ( -2.762 3.433 0.000) 4.407 6.102 ( 2.762 3.433 0.000) 4.407 6.823 ( -0.747 -7.690 0.000) 7.726 6.823 ( 0.747 -7.690 0.000) 7.726 6.823 ( -0.747 7.690 0.000) 7.726 6.823 ( 0.747 7.690 0.000) 7.726 7.161 ( -2.459 -5.139 0.000) 5.697 7.161 ( 2.459 -5.139 0.000) 5.697 7.161 ( -2.459 5.139 0.000) 5.697 7.161 ( 2.459 5.139 0.000) 5.697 8.186 ( -6.760 -3.111 0.000) 7.442 8.186 ( -6.760 3.111 0.000) 7.442 8.186 ( 6.760 -3.111 0.000) 7.442 8.186 ( 6.760 3.111 0.000) 7.442 9.701 ( -6.179 -8.371 0.000) 10.404 9.701 ( 6.179 -8.371 0.000) 10.404 9.701 ( -6.179 8.371 0.000) 10.404 9.701 ( 6.179 8.371 0.000) 10.404 10.979 ( -1.058 -4.071 0.000) 4.206 10.979 ( 1.058 -4.071 0.000) 4.206 10.979 ( -1.058 4.071 0.000) 4.206 10.979 ( 1.058 4.071 0.000) 4.206 17.244 ( -1.219 -2.616 0.000) 2.886 17.244 ( 1.219 -2.616 0.000) 2.886 17.244 ( -1.219 2.616 0.000) 2.886 17.244 ( 1.219 2.616 0.000) 2.886 17.625 ( -1.396 -1.827 0.000) 2.299 17.625 ( 1.396 -1.827 0.000) 2.299 17.625 ( -1.396 1.827 0.000) 2.299 17.625 ( 1.396 1.827 0.000) 2.299 18.568 ( -0.110 -2.253 0.000) 2.255 18.568 ( 0.110 -2.253 0.000) 2.255 18.568 ( -0.110 2.253 0.000) 2.255 18.568 ( 0.110 2.253 0.000) 2.255 20.355 ( -0.830 -0.460 0.000) 0.949 20.355 ( 0.830 -0.460 0.000) 0.949 20.355 ( -0.830 0.460 0.000) 0.949 20.355 ( 0.830 0.460 0.000) 0.949 26.593 ( -0.148 -0.614 0.000) 0.632 26.593 ( 0.148 -0.614 0.000) 0.632 26.593 ( -0.148 0.614 0.000) 0.632 26.593 ( 0.148 0.614 0.000) 0.632 36.014 ( -1.816 -2.386 0.000) 2.999 36.014 ( 1.816 -2.386 0.000) 2.999 36.014 ( -1.816 2.386 0.000) 2.999 36.014 ( 1.816 2.386 0.000) 2.999 39.842 ( -8.956 -5.156 0.000) 10.334 39.842 ( 8.956 -5.156 0.000) 10.334 39.842 ( -8.956 5.156 0.000) 10.334 39.842 ( 8.956 5.156 0.000) 10.334 ======================= Grid point 77 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 0.000 0.000 19.208) 19.208 0.437 ( 0.000 0.000 20.489) 20.489 0.610 ( 0.000 0.000 26.458) 26.458 1.247 ( 0.000 0.000 -1.365) 1.365 1.379 ( 0.000 0.000 -8.418) 8.418 1.535 ( 0.000 0.000 -6.624) 6.624 1.574 ( 0.000 0.000 -4.585) 4.585 1.623 ( 0.000 0.000 2.694) 2.694 1.704 ( 0.000 0.000 -0.256) 0.256 1.867 ( 0.000 0.000 -0.530) 0.530 2.010 ( 0.000 0.000 5.474) 5.474 2.303 ( 0.000 0.000 1.733) 1.733 2.397 ( 0.000 0.000 -5.191) 5.191 2.554 ( 0.000 0.000 -4.150) 4.150 2.585 ( 0.000 0.000 1.695) 1.695 2.698 ( 0.000 0.000 -0.429) 0.429 2.886 ( 0.000 0.000 4.075) 4.075 2.975 ( 0.000 0.000 8.547) 8.547 3.187 ( 0.000 0.000 -2.960) 2.960 3.492 ( 0.000 0.000 -5.881) 5.881 3.713 ( 0.000 0.000 4.460) 4.460 3.812 ( 0.000 0.000 -0.902) 0.902 3.940 ( 0.000 0.000 1.536) 1.536 4.128 ( 0.000 0.000 2.156) 2.156 4.171 ( 0.000 0.000 3.255) 3.255 4.246 ( 0.000 0.000 -6.517) 6.517 4.319 ( 0.000 0.000 -1.951) 1.951 4.432 ( 0.000 0.000 -2.710) 2.710 4.641 ( 0.000 0.000 5.244) 5.244 5.247 ( 0.000 0.000 -6.214) 6.214 5.299 ( 0.000 0.000 -5.133) 5.133 5.317 ( 0.000 0.000 -2.201) 2.201 5.476 ( 0.000 0.000 1.688) 1.688 5.482 ( 0.000 0.000 1.607) 1.607 5.626 ( 0.000 0.000 -1.594) 1.594 5.650 ( 0.000 0.000 -2.181) 2.181 5.953 ( 0.000 0.000 -1.713) 1.713 6.022 ( 0.000 0.000 -3.701) 3.701 6.230 ( 0.000 0.000 5.163) 5.163 6.492 ( 0.000 0.000 0.839) 0.839 6.985 ( 0.000 0.000 10.650) 10.650 7.384 ( 0.000 0.000 1.724) 1.724 7.501 ( 0.000 0.000 -0.895) 0.895 7.676 ( 0.000 0.000 1.679) 1.679 7.959 ( 0.000 0.000 3.845) 3.845 8.302 ( 0.000 0.000 0.239) 0.239 8.321 ( 0.000 0.000 -0.186) 0.186 8.674 ( 0.000 0.000 -0.208) 0.208 8.712 ( 0.000 0.000 -5.354) 5.354 8.842 ( 0.000 0.000 -2.806) 2.806 9.737 ( 0.000 0.000 1.884) 1.884 9.746 ( 0.000 0.000 1.470) 1.470 9.799 ( 0.000 0.000 7.057) 7.057 9.886 ( 0.000 0.000 -1.825) 1.825 9.917 ( 0.000 0.000 -1.884) 1.884 10.381 ( 0.000 0.000 -6.182) 6.182 16.950 ( 0.000 0.000 0.177) 0.177 16.964 ( 0.000 0.000 -0.131) 0.131 16.967 ( 0.000 0.000 0.210) 0.210 16.985 ( 0.000 0.000 -0.194) 0.194 17.142 ( 0.000 0.000 3.086) 3.086 17.383 ( 0.000 0.000 0.813) 0.813 17.446 ( 0.000 0.000 -3.039) 3.039 17.554 ( 0.000 0.000 -2.616) 2.616 18.049 ( 0.000 0.000 0.621) 0.621 18.148 ( 0.000 0.000 -0.982) 0.982 18.154 ( 0.000 0.000 4.309) 4.309 18.426 ( 0.000 0.000 -2.521) 2.521 20.273 ( 0.000 0.000 0.274) 0.274 20.309 ( 0.000 0.000 -0.635) 0.635 20.432 ( 0.000 0.000 1.652) 1.652 20.585 ( 0.000 0.000 -1.862) 1.862 26.918 ( 0.000 0.000 0.618) 0.618 26.955 ( 0.000 0.000 0.980) 0.980 26.988 ( 0.000 0.000 -0.933) 0.933 27.035 ( 0.000 0.000 -0.786) 0.786 36.188 ( 0.000 0.000 2.083) 2.083 36.343 ( 0.000 0.000 -1.370) 1.370 37.152 ( 0.000 0.000 0.406) 0.406 37.188 ( 0.000 0.000 -0.392) 0.392 38.545 ( 0.000 0.000 0.547) 0.547 38.579 ( 0.000 0.000 1.005) 1.005 38.601 ( 0.000 0.000 -0.655) 0.655 38.664 ( 0.000 0.000 -0.903) 0.903 ======================= Grid point 78 (26/72) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 10.593 0.000 9.993) 14.563 0.570 ( 11.887 0.000 15.080) 19.202 0.908 ( 19.715 0.000 17.521) 26.375 1.269 ( 3.175 0.000 -2.673) 4.150 1.387 ( 0.465 0.000 -7.370) 7.385 1.477 ( -5.478 0.000 2.825) 6.164 1.576 ( 0.960 0.000 -11.828) 11.867 1.606 ( -2.561 0.000 1.849) 3.159 1.640 ( -4.831 0.000 0.679) 4.878 1.889 ( 1.178 0.000 0.982) 1.534 2.019 ( 0.285 0.000 4.147) 4.157 2.335 ( -5.965 0.000 -4.137) 7.259 2.347 ( 3.925 0.000 0.819) 4.009 2.550 ( -0.475 0.000 -3.606) 3.637 2.586 ( 0.160 0.000 1.338) 1.347 2.687 ( -1.101 0.000 -0.293) 1.139 2.799 ( -3.469 0.000 7.472) 8.238 3.083 ( 2.597 0.000 0.886) 2.744 3.170 ( 3.553 0.000 2.576) 4.389 3.498 ( -2.587 0.000 -5.729) 6.286 3.766 ( -1.731 0.000 0.852) 1.929 3.845 ( 3.706 0.000 -4.816) 6.077 3.922 ( 1.161 0.000 1.381) 1.804 4.128 ( 0.026 0.000 2.206) 2.206 4.164 ( -0.653 0.000 3.093) 3.161 4.234 ( -1.293 0.000 -5.871) 6.012 4.329 ( 0.949 0.000 -1.903) 2.127 4.425 ( -0.690 0.000 -2.625) 2.715 4.656 ( 2.231 0.000 4.316) 4.858 5.150 ( -6.219 0.000 -1.809) 6.477 5.308 ( 1.137 0.000 -9.123) 9.193 5.424 ( 4.412 0.000 -11.101) 11.945 5.455 ( -1.779 0.000 1.258) 2.179 5.458 ( -1.951 0.000 1.201) 2.291 5.650 ( 2.036 0.000 -1.195) 2.361 5.670 ( 1.643 0.000 -1.729) 2.385 5.970 ( 1.798 0.000 -0.670) 1.919 6.073 ( 4.520 0.000 -4.323) 6.254 6.228 ( -0.022 0.000 2.967) 2.967 6.495 ( -0.299 0.000 -0.420) 0.515 7.013 ( 2.919 0.000 11.411) 11.778 7.401 ( 1.652 0.000 1.538) 2.257 7.502 ( 0.070 0.000 -0.724) 0.727 7.594 ( -8.387 0.000 7.647) 11.350 7.961 ( 0.338 0.000 4.592) 4.604 8.298 ( -0.384 0.000 0.202) 0.434 8.314 ( -0.665 0.000 -0.160) 0.684 8.390 ( -22.321 0.000 19.510) 29.645 8.697 ( 1.632 0.000 1.281) 2.075 8.843 ( -0.322 0.000 -2.179) 2.203 9.710 ( -9.839 0.000 8.750) 13.167 9.738 ( 0.097 0.000 1.849) 1.852 9.746 ( -0.032 0.000 1.489) 1.489 9.865 ( -16.706 0.000 9.671) 19.304 9.888 ( 0.198 0.000 -1.820) 1.831 9.915 ( -0.226 0.000 -1.871) 1.885 16.949 ( -0.047 0.000 0.165) 0.172 16.958 ( -0.349 0.000 0.047) 0.352 16.974 ( 0.404 0.000 0.025) 0.405 16.986 ( 0.053 0.000 -0.176) 0.184 17.141 ( 1.395 0.000 2.344) 2.728 17.329 ( -1.851 0.000 3.303) 3.786 17.482 ( 3.378 0.000 -3.330) 4.743 17.760 ( 1.755 0.000 -9.629) 9.788 18.097 ( 5.451 0.000 2.526) 6.008 18.202 ( 4.354 0.000 3.721) 5.728 18.457 ( 4.344 0.000 -3.512) 5.586 18.531 ( 19.480 0.000 -18.994) 27.208 20.316 ( 0.839 0.000 -0.431) 0.944 20.394 ( 2.269 0.000 -3.259) 3.971 20.495 ( 9.674 0.000 -7.871) 12.472 20.601 ( 1.565 0.000 -2.227) 2.722 26.917 ( -0.048 0.000 0.632) 0.634 26.949 ( -0.619 0.000 0.943) 1.128 26.984 ( -0.095 0.000 -0.538) 0.547 27.026 ( -0.650 0.000 -0.941) 1.144 36.200 ( 1.260 0.000 2.594) 2.884 36.380 ( 3.329 0.000 -1.167) 3.528 36.776 ( -21.846 0.000 20.512) 29.967 37.099 ( -6.299 0.000 -0.388) 6.311 38.547 ( 0.198 0.000 0.576) 0.609 38.577 ( -0.270 0.000 0.932) 0.970 38.606 ( 0.464 0.000 -0.631) 0.784 38.660 ( -0.402 0.000 -0.883) 0.970 ======================= Grid point 79 (27/72) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 17.073 0.000 -0.533) 17.082 0.838 ( 14.666 0.000 8.921) 17.166 1.162 ( 2.730 0.000 -2.490) 3.695 1.340 ( -7.627 0.000 -0.963) 7.688 1.347 ( -1.776 0.000 -0.537) 1.855 1.439 ( 6.063 0.000 5.334) 8.075 1.525 ( -1.399 0.000 -1.673) 2.181 1.590 ( -2.022 0.000 0.096) 2.024 1.605 ( 6.011 0.000 -5.143) 7.911 1.913 ( 1.237 0.000 3.207) 3.438 1.999 ( -2.120 0.000 5.207) 5.622 2.180 ( -9.973 0.000 -0.607) 9.992 2.431 ( 4.196 0.000 -0.727) 4.258 2.534 ( -1.206 0.000 -2.652) 2.914 2.594 ( 0.782 0.000 0.830) 1.141 2.657 ( -1.901 0.000 0.121) 1.904 2.799 ( 3.803 0.000 5.848) 6.976 3.049 ( -4.431 0.000 -0.055) 4.432 3.290 ( 5.644 0.000 0.822) 5.703 3.424 ( -3.744 0.000 -6.262) 7.296 3.714 ( -1.947 0.000 1.450) 2.428 3.800 ( -4.319 0.000 3.829) 5.772 4.026 ( 5.550 0.000 -4.203) 6.962 4.130 ( 0.193 0.000 2.346) 2.354 4.149 ( -0.756 0.000 2.809) 2.909 4.192 ( -3.060 0.000 -4.426) 5.380 4.352 ( 1.388 0.000 -1.939) 2.385 4.406 ( -1.196 0.000 -2.406) 2.687 4.738 ( 5.912 0.000 2.025) 6.249 5.018 ( -7.272 0.000 -0.942) 7.333 5.340 ( 2.289 0.000 -11.603) 11.827 5.422 ( -1.344 0.000 0.847) 1.589 5.423 ( -1.403 0.000 0.866) 1.649 5.447 ( -1.439 0.000 -13.692) 13.767 5.688 ( 1.599 0.000 -0.924) 1.847 5.699 ( 1.095 0.000 -1.224) 1.642 6.021 ( 3.309 0.000 1.641) 3.694 6.132 ( -0.154 0.000 3.102) 3.106 6.263 ( 4.687 0.000 -6.305) 7.857 6.461 ( -3.235 0.000 -3.022) 4.426 7.096 ( 5.439 0.000 13.360) 14.425 7.395 ( -10.261 0.000 16.476) 19.410 7.442 ( 2.243 0.000 1.044) 2.474 7.500 ( -0.468 0.000 -0.255) 0.533 7.975 ( 1.223 0.000 6.415) 6.531 8.106 ( -7.742 0.000 16.600) 18.317 8.290 ( -0.326 0.000 0.110) 0.344 8.299 ( -0.771 0.000 -0.093) 0.776 8.740 ( 2.596 0.000 0.794) 2.715 8.827 ( -1.347 0.000 -1.014) 1.686 9.586 ( -1.822 0.000 0.451) 1.877 9.697 ( -5.953 0.000 0.453) 5.971 9.740 ( 0.139 0.000 1.758) 1.763 9.745 ( -0.074 0.000 1.547) 1.548 9.893 ( 0.351 0.000 -1.814) 1.848 9.909 ( -0.379 0.000 -1.843) 1.881 16.949 ( -0.017 0.000 0.142) 0.143 16.952 ( -0.224 0.000 0.092) 0.242 16.981 ( 0.297 0.000 -0.037) 0.299 16.987 ( 0.006 0.000 -0.136) 0.136 17.184 ( 2.723 0.000 2.357) 3.601 17.289 ( -2.325 0.000 3.153) 3.918 17.562 ( 4.491 0.000 -4.072) 6.062 17.726 ( -3.451 0.000 -6.096) 7.005 18.225 ( 6.265 0.000 3.339) 7.099 18.283 ( 3.170 0.000 3.398) 4.647 18.554 ( 5.884 0.000 -2.749) 6.494 18.711 ( 1.466 0.000 -10.091) 10.197 20.338 ( 1.408 0.000 0.020) 1.408 20.393 ( -0.969 0.000 0.336) 1.026 20.638 ( 2.456 0.000 -4.541) 5.163 20.642 ( 3.703 0.000 -9.427) 10.128 26.917 ( 0.103 0.000 0.687) 0.695 26.935 ( -0.749 0.000 0.856) 1.138 26.988 ( 0.404 0.000 -0.758) 0.859 27.012 ( -0.712 0.000 -1.149) 1.351 36.238 ( 2.588 0.000 4.192) 4.927 36.396 ( -4.211 0.000 7.922) 8.971 36.590 ( 3.160 0.000 4.692) 5.657 36.937 ( -9.799 0.000 -1.364) 9.893 38.553 ( 0.364 0.000 0.651) 0.745 38.570 ( -0.419 0.000 0.835) 0.934 38.618 ( 0.750 0.000 -0.665) 1.002 38.649 ( -0.705 0.000 -0.826) 1.086 ======================= Grid point 80 (28/72) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -13.326 0.000 -2.933) 13.645 1.022 ( 13.326 0.000 -2.933) 13.645 1.118 ( -13.583 0.000 4.662) 14.361 1.118 ( 13.583 0.000 4.662) 14.361 1.403 ( -5.459 0.000 -5.388) 7.670 1.403 ( 5.459 0.000 -5.388) 7.670 1.547 ( -2.236 0.000 -2.017) 3.011 1.547 ( 2.236 0.000 -2.017) 3.011 1.858 ( -11.647 0.000 6.301) 13.242 1.858 ( 11.647 0.000 6.301) 13.242 1.995 ( -4.657 0.000 3.682) 5.937 1.995 ( 4.657 0.000 3.682) 5.937 2.498 ( -2.597 0.000 -1.925) 3.233 2.498 ( 2.597 0.000 -1.925) 3.233 2.619 ( -1.750 0.000 0.606) 1.852 2.619 ( 1.750 0.000 0.606) 1.852 2.923 ( -7.655 0.000 2.551) 8.069 2.923 ( 7.655 0.000 2.551) 8.069 3.366 ( -2.696 0.000 -4.838) 5.538 3.366 ( 2.696 0.000 -4.838) 5.538 3.724 ( -2.848 0.000 4.235) 5.104 3.724 ( 2.848 0.000 4.235) 5.104 4.120 ( -4.221 0.000 -3.731) 5.634 4.120 ( 4.221 0.000 -3.731) 5.634 4.137 ( -0.499 0.000 2.554) 2.603 4.137 ( 0.499 0.000 2.554) 2.603 4.380 ( -1.435 0.000 -2.140) 2.576 4.380 ( 1.435 0.000 -2.140) 2.576 4.872 ( -7.484 0.000 0.337) 7.491 4.872 ( 7.484 0.000 0.337) 7.491 5.396 ( -3.186 0.000 -13.276) 13.653 5.396 ( 3.186 0.000 -13.276) 13.653 5.408 ( -0.027 0.000 0.750) 0.751 5.408 ( 0.027 0.000 0.750) 0.751 5.707 ( -0.288 0.000 -0.961) 1.003 5.707 ( 0.288 0.000 -0.961) 1.003 6.089 ( -3.356 0.000 3.765) 5.044 6.089 ( 3.356 0.000 3.765) 5.044 6.373 ( -5.556 0.000 -6.049) 8.214 6.373 ( 5.556 0.000 -6.049) 8.214 7.222 ( -7.527 0.000 15.914) 17.604 7.222 ( 7.527 0.000 15.914) 17.604 7.480 ( -1.559 0.000 0.389) 1.606 7.480 ( 1.559 0.000 0.389) 1.606 8.013 ( -2.843 0.000 9.698) 10.106 8.013 ( 2.843 0.000 9.698) 10.106 8.289 ( -0.242 0.000 0.002) 0.242 8.289 ( 0.242 0.000 0.002) 0.242 8.790 ( -2.377 0.000 0.044) 2.378 8.790 ( 2.377 0.000 0.044) 2.378 9.605 ( -3.227 0.000 -2.068) 3.833 9.605 ( 3.227 0.000 -2.068) 3.833 9.743 ( -0.119 0.000 1.644) 1.648 9.743 ( 0.119 0.000 1.644) 1.648 9.901 ( -0.420 0.000 -1.820) 1.867 9.901 ( 0.420 0.000 -1.820) 1.867 16.949 ( -0.086 0.000 0.118) 0.146 16.949 ( 0.086 0.000 0.118) 0.146 16.985 ( -0.134 0.000 -0.088) 0.161 16.985 ( 0.134 0.000 -0.088) 0.161 17.239 ( -2.764 0.000 2.808) 3.940 17.239 ( 2.764 0.000 2.808) 3.940 17.649 ( -4.289 0.000 -4.917) 6.524 17.649 ( 4.289 0.000 -4.917) 6.524 18.303 ( -1.419 0.000 3.474) 3.753 18.303 ( 1.419 0.000 3.474) 3.753 18.667 ( -4.918 0.000 -4.463) 6.641 18.667 ( 4.918 0.000 -4.463) 6.641 20.368 ( -1.516 0.000 0.516) 1.601 20.368 ( 1.516 0.000 0.516) 1.601 20.669 ( -0.591 0.000 -6.320) 6.348 20.669 ( 0.591 0.000 -6.320) 6.348 26.922 ( -0.456 0.000 0.762) 0.888 26.922 ( 0.456 0.000 0.762) 0.888 26.999 ( -0.664 0.000 -1.042) 1.235 26.999 ( 0.664 0.000 -1.042) 1.235 36.303 ( -4.149 0.000 7.067) 8.196 36.303 ( 4.149 0.000 7.067) 8.196 36.740 ( -9.810 0.000 -1.211) 9.885 36.740 ( 9.810 0.000 -1.211) 9.885 38.561 ( -0.450 0.000 0.742) 0.868 38.561 ( 0.450 0.000 0.742) 0.868 38.634 ( -0.832 0.000 -0.745) 1.117 38.634 ( 0.832 0.000 -0.745) 1.117 ======================= Grid point 84 (29/72) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 13.781 13.281) 19.139 0.561 ( 0.000 7.869 16.559) 18.333 1.191 ( 0.000 -1.971 -0.406) 2.013 1.199 ( 0.000 45.281 10.569) 46.498 1.547 ( 0.000 1.916 -8.673) 8.882 1.568 ( 0.000 0.812 -1.073) 1.346 1.595 ( 0.000 12.915 -8.051) 15.218 1.802 ( 0.000 6.307 2.432) 6.760 1.893 ( 0.000 14.854 0.755) 14.874 1.926 ( 0.000 13.337 -0.012) 13.337 2.019 ( 0.000 2.495 5.646) 6.173 2.242 ( 0.000 -2.199 0.866) 2.363 2.509 ( 0.000 6.980 -4.404) 8.253 2.576 ( 0.000 1.874 -4.568) 4.937 2.713 ( 0.000 9.998 3.951) 10.750 2.752 ( 0.000 4.182 1.084) 4.320 2.949 ( 0.000 7.114 1.167) 7.209 2.964 ( 0.000 -1.037 7.152) 7.226 3.160 ( 0.000 3.310 -0.465) 3.343 3.477 ( 0.000 -1.284 -5.935) 6.073 3.687 ( 0.000 -1.965 3.822) 4.297 3.766 ( 0.000 -3.056 -1.174) 3.274 3.849 ( 0.000 -3.047 1.603) 3.443 4.091 ( 0.000 -5.279 -4.641) 7.029 4.584 ( 0.000 0.606 3.075) 3.134 4.645 ( 0.000 27.479 2.203) 27.567 4.816 ( 0.000 35.663 -1.579) 35.698 4.870 ( 0.000 34.348 -3.107) 34.489 5.094 ( 0.000 6.310 -2.883) 6.937 5.129 ( 0.000 -9.408 -0.406) 9.416 5.208 ( 0.000 -3.630 -7.049) 7.929 5.369 ( 0.000 10.770 -3.703) 11.388 5.503 ( 0.000 9.840 -8.542) 13.031 5.576 ( 0.000 -1.956 -3.066) 3.637 5.807 ( 0.000 12.914 -1.501) 13.001 5.852 ( 0.000 24.903 -15.738) 29.459 6.018 ( 0.000 -0.959 -2.993) 3.143 6.041 ( 0.000 10.989 -6.887) 12.969 6.308 ( 0.000 10.072 -0.462) 10.083 6.535 ( 0.000 3.108 0.634) 3.172 6.956 ( 0.000 -2.422 10.046) 10.334 7.351 ( 0.000 -10.183 9.419) 13.871 7.425 ( 0.000 3.052 -0.811) 3.158 7.654 ( 0.000 -1.672 1.294) 2.114 7.898 ( 0.000 -5.477 4.070) 6.823 8.216 ( 0.000 -7.006 -0.726) 7.044 8.276 ( 0.000 -4.603 1.283) 4.779 8.691 ( 0.000 -0.116 1.061) 1.067 8.857 ( 0.000 8.834 -12.532) 15.333 8.874 ( 0.000 3.664 -2.420) 4.391 9.633 ( 0.000 -0.759 2.459) 2.573 9.691 ( 0.000 -5.561 2.588) 6.134 9.823 ( 0.000 8.197 -0.095) 8.197 9.942 ( 0.000 5.248 -2.491) 5.809 10.041 ( 0.000 8.450 3.436) 9.122 10.763 ( 0.000 18.465 -22.053) 28.762 16.999 ( 0.000 4.119 0.639) 4.169 17.050 ( 0.000 7.276 -0.524) 7.295 17.087 ( 0.000 10.092 0.219) 10.094 17.135 ( 0.000 0.644 1.945) 2.049 17.193 ( 0.000 12.769 -5.421) 13.872 17.386 ( 0.000 0.698 0.230) 0.735 17.434 ( 0.000 -0.962 -2.308) 2.501 17.565 ( 0.000 2.132 -2.965) 3.652 18.048 ( 0.000 0.698 2.338) 2.440 18.143 ( 0.000 -0.284 -0.645) 0.705 18.149 ( 0.000 -0.226 3.972) 3.979 18.404 ( 0.000 -1.958 -2.396) 3.095 20.274 ( 0.000 0.062 0.269) 0.276 20.307 ( 0.000 -0.097 -0.537) 0.546 20.424 ( 0.000 -0.789 1.527) 1.719 20.563 ( 0.000 -2.121 -1.674) 2.702 26.885 ( 0.000 -3.261 0.641) 3.324 26.924 ( 0.000 -3.162 0.883) 3.283 26.943 ( 0.000 -4.067 -0.328) 4.080 27.000 ( 0.000 -3.460 -0.810) 3.554 36.167 ( 0.000 -2.109 1.805) 2.776 36.300 ( 0.000 -4.182 -1.166) 4.341 36.544 ( 0.000 -22.665 17.764) 28.797 36.977 ( 0.000 -15.132 -1.113) 15.173 38.695 ( 0.000 11.206 0.787) 11.233 38.768 ( 0.000 19.692 3.133) 19.939 38.768 ( 0.000 10.072 -0.843) 10.107 39.749 ( 0.000 45.286 -43.390) 62.717 ======================= Grid point 85 (30/72) ======================= q-point: ( 0.17 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 7.909 11.682 6.922) 15.714 0.830 ( 15.097 8.267 12.004) 20.985 1.196 ( 1.808 7.723 -0.907) 7.984 1.297 ( 8.592 29.605 8.520) 31.982 1.481 ( -6.290 1.846 3.629) 7.493 1.535 ( -1.200 4.375 -9.096) 10.165 1.646 ( 3.354 11.931 -8.651) 15.115 1.793 ( -2.125 8.116 1.962) 8.616 1.868 ( -4.156 17.057 1.026) 17.586 1.892 ( -0.574 8.713 1.065) 8.796 2.005 ( -1.022 -0.033 4.474) 4.589 2.252 ( -0.698 -1.463 -1.039) 1.926 2.506 ( 0.960 8.062 -2.592) 8.522 2.583 ( 0.481 2.720 -3.443) 4.413 2.699 ( -0.957 8.202 3.689) 9.044 2.737 ( -1.470 4.348 1.204) 4.745 2.855 ( -3.325 6.809 5.287) 9.240 3.079 ( 3.605 0.856 -0.624) 3.758 3.180 ( 3.281 2.753 2.543) 4.981 3.453 ( -2.335 -1.817 -5.820) 6.529 3.675 ( -1.468 -3.047 4.005) 5.242 3.735 ( -3.106 -4.162 -0.495) 5.217 3.876 ( 2.896 -2.278 0.342) 3.701 4.085 ( -0.663 -4.683 -4.129) 6.278 4.607 ( 2.344 1.533 2.744) 3.920 4.651 ( 0.632 24.801 2.189) 24.905 4.815 ( -0.051 35.677 -1.471) 35.707 4.853 ( -1.551 34.055 -2.572) 34.187 5.031 ( -6.350 10.129 -3.222) 12.381 5.082 ( -4.172 0.464 -0.407) 4.218 5.208 ( 0.063 -3.135 -7.337) 7.979 5.358 ( -1.528 15.801 -5.653) 16.851 5.504 ( 0.441 5.398 -6.447) 8.420 5.596 ( 1.651 -1.934 -3.193) 4.082 5.692 ( -6.779 12.349 -3.446) 14.503 5.829 ( -3.575 14.688 -8.250) 17.222 6.041 ( 3.051 4.340 -1.623) 5.547 6.104 ( 3.711 5.469 -4.753) 8.141 6.310 ( 0.450 9.359 -1.847) 9.551 6.530 ( -0.935 2.687 -0.377) 2.870 6.979 ( 2.396 -2.879 10.795) 11.427 7.325 ( -2.745 -9.873 11.331) 15.278 7.449 ( 2.356 3.494 -1.124) 4.362 7.640 ( -1.310 0.136 0.219) 1.335 7.909 ( 1.219 -4.576 5.025) 6.905 8.216 ( -0.010 -6.745 -0.640) 6.776 8.267 ( -0.870 -4.650 1.152) 4.869 8.582 ( -16.187 7.241 0.848) 17.753 8.760 ( -1.645 8.627 -1.069) 8.847 8.874 ( -0.529 3.532 -1.974) 4.081 9.623 ( -0.825 0.929 1.559) 1.994 9.683 ( -0.755 -4.047 1.673) 4.444 9.820 ( -0.225 7.852 0.191) 7.857 9.943 ( 0.065 5.224 -2.318) 5.715 10.020 ( -2.100 8.629 2.288) 9.171 10.297 ( -27.973 28.172 -0.976) 39.713 17.002 ( 0.220 4.260 0.702) 4.323 17.045 ( -0.795 5.745 -0.010) 5.800 17.082 ( -0.516 9.744 0.007) 9.757 17.091 ( -3.236 10.626 0.393) 11.115 17.158 ( 1.826 2.945 0.806) 3.558 17.346 ( -1.867 1.645 2.201) 3.321 17.474 ( 3.603 -0.552 -2.719) 4.548 17.727 ( 3.097 -2.689 -8.167) 9.140 18.097 ( 5.064 0.289 2.782) 5.785 18.193 ( 4.313 -0.488 3.490) 5.569 18.392 ( 16.411 -7.951 -8.415) 20.083 18.442 ( 4.733 -2.882 -2.718) 6.172 20.315 ( 0.859 -0.039 -0.436) 0.964 20.352 ( 4.493 -3.380 -2.646) 6.214 20.449 ( 3.779 -2.261 -0.318) 4.415 20.574 ( 1.080 -2.539 -1.937) 3.371 26.884 ( -0.034 -3.246 0.650) 3.311 26.917 ( -0.605 -3.162 0.853) 3.330 26.943 ( 0.107 -3.938 -0.407) 3.961 26.989 ( -0.888 -3.549 -0.762) 3.737 36.177 ( 1.042 -2.293 2.257) 3.382 36.327 ( 2.110 -5.104 -0.027) 5.523 36.491 ( -3.587 -15.054 14.293) 21.066 36.932 ( -4.577 -14.177 -1.413) 14.965 38.695 ( 0.079 11.444 0.840) 11.475 38.756 ( -1.069 18.676 2.745) 18.907 38.774 ( 0.728 11.089 -0.916) 11.150 39.406 ( -24.494 46.769 -20.916) 56.787 ======================= Grid point 86 (31/72) ======================= q-point: ( 0.33 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 14.112 6.366 0.352) 15.485 1.069 ( 7.590 5.935 4.640) 10.694 1.266 ( 5.325 9.174 -3.605) 11.203 1.334 ( -4.893 7.431 1.897) 9.097 1.455 ( -0.832 6.567 -1.892) 6.885 1.555 ( 1.578 13.917 4.723) 14.781 1.676 ( 3.196 11.743 -1.017) 12.213 1.741 ( 0.723 15.022 -2.556) 15.255 1.811 ( -1.959 14.978 0.282) 15.108 1.904 ( 1.253 3.602 1.289) 4.025 1.963 ( -2.700 -1.199 5.494) 6.238 2.178 ( -7.084 1.891 -1.049) 7.407 2.552 ( 2.938 9.418 -0.163) 9.867 2.597 ( 1.034 3.924 -2.477) 4.754 2.691 ( -0.273 5.530 1.277) 5.682 2.702 ( -1.759 6.053 1.257) 6.428 2.838 ( 2.187 5.363 5.600) 8.057 3.065 ( -4.221 2.522 -0.245) 4.923 3.277 ( 4.930 -0.604 0.213) 4.971 3.403 ( -2.323 -0.625 -6.210) 6.660 3.631 ( -2.297 -4.232 2.703) 5.522 3.671 ( -3.016 -5.047 3.547) 6.867 3.946 ( 3.799 -2.456 -1.298) 4.707 4.061 ( -1.857 -3.675 -3.144) 5.181 4.658 ( 2.108 19.616 1.870) 19.817 4.681 ( 2.713 2.802 2.603) 4.689 4.818 ( 0.113 34.094 -0.959) 34.108 4.823 ( -0.716 33.785 -1.656) 33.833 4.889 ( -6.664 26.137 -1.935) 27.042 4.983 ( -5.698 6.843 -0.968) 8.958 5.217 ( 1.003 -0.359 -7.741) 7.814 5.306 ( -3.220 13.971 -7.469) 16.166 5.528 ( 1.960 1.935 -3.741) 4.645 5.607 ( -2.167 4.560 -1.890) 5.390 5.631 ( 1.687 -3.144 -2.179) 4.180 5.746 ( -4.404 8.344 -6.056) 11.212 6.104 ( 2.996 6.152 0.353) 6.852 6.155 ( 1.129 2.703 0.733) 3.020 6.338 ( 2.696 7.269 -5.228) 9.351 6.488 ( -3.343 2.356 -2.311) 4.697 7.046 ( 4.370 -3.986 12.551) 13.875 7.246 ( -5.050 -7.935 14.276) 17.096 7.507 ( 3.301 4.335 -1.820) 5.744 7.609 ( -1.793 3.168 -1.588) 3.972 7.952 ( 3.332 -1.545 6.919) 7.833 8.217 ( 0.077 -5.413 -0.074) 5.415 8.233 ( -7.451 3.028 4.783) 9.358 8.261 ( -7.580 2.766 4.831) 9.405 8.778 ( 1.982 4.398 0.370) 4.838 8.855 ( -1.424 3.248 -1.046) 3.697 9.615 ( 0.307 3.678 -0.966) 3.815 9.663 ( -1.299 -0.680 -0.286) 1.494 9.818 ( 0.142 7.629 0.884) 7.681 9.919 ( -5.640 12.012 1.617) 13.368 9.959 ( -1.102 8.578 -1.300) 8.746 10.006 ( -3.699 10.092 -0.137) 10.750 17.007 ( 0.251 4.492 0.807) 4.571 17.024 ( -0.897 4.767 0.920) 4.937 17.069 ( -0.043 9.984 -0.366) 9.991 17.076 ( -0.290 9.458 -0.326) 9.468 17.203 ( 2.668 2.110 1.722) 3.812 17.306 ( -2.299 1.630 2.373) 3.684 17.556 ( 4.462 -0.488 -3.607) 5.758 17.711 ( -2.924 -1.385 -5.646) 6.507 18.217 ( 5.992 -0.449 3.285) 6.848 18.273 ( 3.122 -0.695 3.274) 4.577 18.521 ( 5.219 -3.042 -2.596) 6.575 18.616 ( 4.272 -8.053 -7.145) 11.583 20.338 ( 1.361 -0.055 -0.065) 1.364 20.381 ( -0.258 -1.218 0.046) 1.246 20.554 ( 4.694 -6.685 -5.461) 9.826 20.598 ( 1.135 -3.791 -2.897) 4.904 26.885 ( 0.132 -3.202 0.674) 3.275 26.903 ( -0.744 -3.135 0.783) 3.316 26.948 ( 0.368 -3.909 -0.637) 3.977 26.972 ( -0.818 -3.860 -0.847) 4.036 36.207 ( 2.075 -2.909 3.609) 5.079 36.321 ( -2.995 -6.345 7.203) 10.056 36.504 ( 5.372 -7.452 1.713) 9.345 36.808 ( -7.765 -11.518 -1.806) 14.008 38.699 ( 0.356 12.285 1.016) 12.332 38.732 ( -1.280 16.359 1.990) 16.530 38.800 ( 2.130 14.410 -1.244) 14.620 39.036 ( -12.852 33.445 -5.981) 36.326 ======================= Grid point 87 (32/72) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -10.472 1.908 -0.830) 10.677 1.020 ( 10.472 1.908 -0.830) 10.677 1.355 ( -3.666 5.770 -0.155) 6.838 1.355 ( 3.666 5.770 -0.155) 6.838 1.428 ( -6.914 15.182 -1.353) 16.737 1.428 ( 6.914 15.182 -1.353) 16.737 1.770 ( -1.938 16.594 -1.299) 16.757 1.770 ( 1.938 16.594 -1.299) 16.757 1.868 ( -6.650 1.627 4.365) 8.119 1.868 ( 6.650 1.627 4.365) 8.119 2.001 ( -8.350 4.359 2.594) 9.770 2.001 ( 8.350 4.359 2.594) 9.770 2.600 ( -1.455 7.293 -0.873) 7.488 2.600 ( 1.455 7.293 -0.873) 7.488 2.682 ( -0.407 5.958 0.841) 6.031 2.682 ( 0.407 5.958 0.841) 6.031 2.942 ( -7.294 2.587 2.810) 8.234 2.942 ( 7.294 2.587 2.810) 8.234 3.354 ( -3.094 -0.449 -4.971) 5.873 3.354 ( 3.094 -0.449 -4.971) 5.873 3.622 ( -1.533 -4.853 4.406) 6.732 3.622 ( 1.533 -4.853 4.406) 6.732 4.013 ( -2.995 -2.960 -2.220) 4.760 4.013 ( 2.995 -2.960 -2.220) 4.760 4.698 ( -1.650 13.719 2.195) 13.991 4.698 ( 1.650 13.719 2.195) 13.991 4.811 ( -0.759 33.164 -0.583) 33.177 4.811 ( 0.759 33.164 -0.583) 33.177 4.875 ( -4.646 16.999 -1.545) 17.690 4.875 ( 4.646 16.999 -1.545) 17.690 5.250 ( -2.385 5.320 -7.718) 9.673 5.250 ( 2.385 5.320 -7.718) 9.673 5.571 ( -2.061 2.164 -2.506) 3.900 5.571 ( 2.061 2.164 -2.506) 3.900 5.673 ( -2.896 1.854 -3.765) 5.099 5.673 ( 2.896 1.854 -3.765) 5.099 6.149 ( -1.489 4.705 1.894) 5.286 6.149 ( 1.489 4.705 1.894) 5.286 6.410 ( -4.268 3.767 -4.701) 7.383 6.410 ( 4.268 3.767 -4.701) 7.383 7.142 ( -5.312 -5.568 14.302) 16.241 7.142 ( 5.312 -5.568 14.302) 16.241 7.567 ( -2.637 4.511 -2.231) 5.682 7.567 ( 2.637 4.511 -2.231) 5.682 8.048 ( -6.901 4.212 8.691) 11.870 8.048 ( 6.901 4.212 8.691) 11.870 8.228 ( -0.836 -5.519 0.193) 5.586 8.228 ( 0.836 -5.519 0.193) 5.586 8.820 ( -2.127 3.421 -0.207) 4.034 8.820 ( 2.127 3.421 -0.207) 4.034 9.634 ( -1.469 3.113 -1.854) 3.910 9.634 ( 1.469 3.113 -1.854) 3.910 9.836 ( -2.142 9.486 1.637) 9.862 9.836 ( 2.142 9.486 1.637) 9.862 9.968 ( -1.106 6.744 -1.449) 6.986 9.968 ( 1.106 6.744 -1.449) 6.986 17.012 ( -0.374 4.636 0.889) 4.736 17.012 ( 0.374 4.636 0.889) 4.736 17.071 ( -0.192 9.481 -0.426) 9.493 17.071 ( 0.192 9.481 -0.426) 9.493 17.257 ( -2.690 1.779 2.197) 3.902 17.257 ( 2.690 1.779 2.197) 3.902 17.641 ( -4.088 -0.755 -4.514) 6.137 17.641 ( 4.088 -0.755 -4.514) 6.137 18.293 ( -1.388 -0.738 3.372) 3.721 18.293 ( 1.388 -0.738 3.372) 3.721 18.613 ( -3.409 -4.844 -3.799) 7.037 18.613 ( 3.409 -4.844 -3.799) 7.037 20.364 ( -1.250 -0.323 0.369) 1.343 20.364 ( 1.250 -0.323 0.369) 1.343 20.606 ( -0.760 -5.633 -4.543) 7.277 20.606 ( 0.760 -5.633 -4.543) 7.277 26.891 ( -0.479 -3.151 0.716) 3.267 26.891 ( 0.479 -3.151 0.716) 3.267 26.958 ( -0.626 -3.962 -0.823) 4.095 26.958 ( 0.626 -3.962 -0.823) 4.095 36.257 ( -3.030 -4.163 5.815) 7.767 36.257 ( 3.030 -4.163 5.815) 7.767 36.646 ( -8.372 -8.670 -1.436) 12.138 36.646 ( 8.372 -8.670 -1.436) 12.138 38.711 ( -0.851 13.953 1.374) 14.046 38.711 ( 0.851 13.953 1.374) 14.046 38.869 ( -5.340 21.281 -2.261) 22.057 38.869 ( 5.340 21.281 -2.261) 22.057 ======================= Grid point 91 (33/72) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 18.791 3.756) 19.163 0.864 ( 0.000 17.677 7.358) 19.147 1.213 ( 0.000 4.584 -3.105) 5.536 1.604 ( 0.000 3.564 -8.899) 9.586 1.625 ( 0.000 6.003 3.365) 6.882 1.670 ( 0.000 0.633 0.563) 0.847 1.976 ( 0.000 7.242 0.224) 7.245 1.989 ( 0.000 15.196 6.679) 16.599 2.043 ( 0.000 21.201 -1.158) 21.233 2.239 ( 0.000 14.715 2.462) 14.919 2.260 ( 0.000 10.352 -0.456) 10.362 2.311 ( 0.000 17.259 1.713) 17.344 2.611 ( 0.000 1.345 -3.720) 3.956 2.632 ( 0.000 5.701 -4.557) 7.298 2.837 ( 0.000 3.661 4.816) 6.049 2.884 ( 0.000 6.484 5.016) 8.198 2.951 ( 0.000 0.417 3.714) 3.738 3.134 ( 0.000 10.149 -2.431) 10.436 3.276 ( 0.000 7.796 0.467) 7.810 3.461 ( 0.000 0.247 -4.648) 4.654 3.651 ( 0.000 -1.550 3.113) 3.477 3.713 ( 0.000 -2.533 -0.560) 2.594 3.790 ( 0.000 -3.330 0.479) 3.364 3.996 ( 0.000 -5.142 -4.115) 6.586 4.521 ( 0.000 -4.098 3.808) 5.595 4.687 ( 0.000 -10.567 2.104) 10.774 4.883 ( 0.000 -10.918 -3.542) 11.478 4.903 ( 0.000 -13.898 -3.063) 14.231 5.373 ( 0.000 -0.800 0.014) 0.800 5.481 ( 0.000 5.311 -3.643) 6.441 5.568 ( 0.000 30.621 0.601) 30.627 5.655 ( 0.000 15.514 -1.510) 15.587 5.727 ( 0.000 24.454 -1.669) 24.511 5.832 ( 0.000 29.535 -5.739) 30.087 5.973 ( 0.000 -3.607 -1.960) 4.105 6.071 ( 0.000 8.223 -5.050) 9.650 6.159 ( 0.000 25.025 1.614) 25.077 6.263 ( 0.000 9.957 -0.294) 9.961 6.579 ( 0.000 10.731 -6.263) 12.425 6.590 ( 0.000 3.937 2.370) 4.596 6.934 ( 0.000 1.906 7.696) 7.928 7.191 ( 0.000 -5.859 10.404) 11.940 7.433 ( 0.000 -3.107 -3.730) 4.854 7.626 ( 0.000 -2.812 -4.012) 4.900 7.801 ( 0.000 -2.167 7.933) 8.223 8.079 ( 0.000 -6.052 -0.994) 6.133 8.171 ( 0.000 -4.764 3.156) 5.715 8.675 ( 0.000 -1.558 -0.726) 1.719 8.999 ( 0.000 7.143 -7.718) 10.516 9.006 ( 0.000 10.339 -2.509) 10.639 9.626 ( 0.000 -1.588 2.953) 3.353 9.713 ( 0.000 7.371 -0.649) 7.400 10.055 ( 0.000 15.182 -1.694) 15.276 10.090 ( 0.000 10.332 -2.199) 10.563 10.242 ( 0.000 12.997 4.789) 13.851 10.995 ( 0.000 7.719 -15.451) 17.272 17.083 ( 0.000 3.718 0.568) 3.761 17.139 ( 0.000 0.363 2.481) 2.507 17.170 ( 0.000 3.140 -1.148) 3.344 17.309 ( 0.000 9.791 0.393) 9.799 17.393 ( 0.000 7.683 -2.085) 7.961 17.397 ( 0.000 0.191 -2.723) 2.730 17.476 ( 0.000 7.020 0.712) 7.056 17.635 ( 0.000 3.986 -4.652) 6.126 18.095 ( 0.000 4.121 3.757) 5.576 18.154 ( 0.000 2.137 0.338) 2.163 18.171 ( 0.000 3.544 2.917) 4.590 18.370 ( 0.000 -0.841 -1.824) 2.008 20.277 ( 0.000 0.249 0.263) 0.362 20.307 ( 0.000 0.147 -0.488) 0.509 20.403 ( 0.000 -1.268 1.235) 1.770 20.510 ( 0.000 -3.100 -1.235) 3.337 26.799 ( 0.000 -5.257 0.620) 5.294 26.839 ( 0.000 -5.253 0.698) 5.300 26.842 ( 0.000 -5.983 -0.190) 5.986 26.906 ( 0.000 -5.892 -0.791) 5.945 36.114 ( 0.000 -3.057 1.147) 3.265 36.195 ( 0.000 -6.190 -0.641) 6.224 36.261 ( 0.000 -10.022 8.214) 12.958 36.659 ( 0.000 -16.121 -2.275) 16.281 38.973 ( 0.000 16.119 0.532) 16.128 39.018 ( 0.000 14.539 -0.556) 14.550 39.201 ( 0.000 23.024 5.555) 23.684 40.234 ( 0.000 11.991 -23.674) 26.538 ======================= Grid point 92 (34/72) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 4.596 19.698 1.321) 20.270 1.017 ( 10.721 11.955 6.548) 17.342 1.242 ( 3.032 4.514 -3.451) 6.441 1.565 ( -3.983 7.060 4.602) 9.321 1.600 ( -0.492 3.907 -6.911) 7.954 1.724 ( 3.536 0.787 -0.430) 3.648 1.938 ( -3.707 9.985 1.240) 10.722 1.979 ( -1.273 4.940 4.916) 7.085 2.057 ( 1.331 24.769 0.224) 24.806 2.165 ( -3.477 15.652 0.762) 16.051 2.291 ( -0.938 19.796 0.779) 19.833 2.312 ( 0.288 9.373 -1.199) 9.453 2.603 ( 1.695 2.047 -1.471) 3.038 2.660 ( 1.546 4.666 -3.159) 5.843 2.810 ( -2.794 4.163 3.207) 5.951 2.849 ( -1.165 5.130 4.405) 6.861 3.015 ( 2.442 7.018 2.640) 7.886 3.144 ( 1.946 5.954 -2.407) 6.711 3.272 ( -1.043 6.157 1.843) 6.511 3.442 ( -1.183 1.235 -4.095) 4.438 3.622 ( -2.862 -2.541 2.817) 4.752 3.674 ( -3.415 -2.187 0.510) 4.087 3.826 ( 3.232 -3.042 -0.449) 4.462 4.000 ( 0.141 -4.720 -3.743) 6.025 4.531 ( 0.956 -4.864 3.452) 6.040 4.672 ( -1.482 -10.447 2.031) 10.745 4.871 ( -1.050 -10.083 -3.185) 10.626 4.894 ( -0.892 -13.164 -3.366) 13.617 5.386 ( 1.361 -0.216 -0.016) 1.378 5.487 ( 0.623 6.593 -3.425) 7.456 5.570 ( 0.134 29.188 0.281) 29.189 5.637 ( -1.903 11.064 -1.088) 11.279 5.730 ( 0.444 27.266 -1.549) 27.313 5.828 ( -0.176 28.051 -5.510) 28.588 5.948 ( -2.529 0.775 -2.587) 3.700 6.013 ( -4.555 13.792 -3.420) 14.922 6.185 ( 1.863 16.691 0.112) 16.795 6.279 ( 1.237 11.009 -0.909) 11.115 6.554 ( -1.519 9.901 -3.482) 10.604 6.593 ( -0.691 6.267 -0.370) 6.316 6.944 ( 1.227 0.914 8.733) 8.866 7.177 ( -1.532 -5.211 11.023) 12.288 7.459 ( 2.440 -3.276 -3.809) 5.585 7.622 ( -0.444 -3.033 -4.265) 5.252 7.840 ( 4.035 -0.601 7.507) 8.544 8.082 ( 0.293 -5.852 -0.868) 5.923 8.163 ( -0.764 -4.656 3.065) 5.626 8.618 ( -6.633 -0.725 -1.320) 6.802 8.955 ( -3.116 9.780 -4.471) 11.196 8.999 ( -0.873 9.770 -2.281) 10.070 9.639 ( 1.360 -0.474 1.885) 2.372 9.720 ( 0.564 7.335 -1.052) 7.432 10.046 ( -0.669 15.104 -1.076) 15.157 10.092 ( 0.264 10.549 -1.909) 10.724 10.226 ( -1.539 13.278 3.627) 13.850 10.742 ( -20.955 17.073 -8.746) 28.409 17.087 ( 0.392 3.823 0.825) 3.930 17.121 ( -1.102 1.853 1.957) 2.911 17.194 ( 1.853 2.782 -0.213) 3.349 17.310 ( 0.080 11.170 0.336) 11.175 17.364 ( -2.078 12.506 -1.484) 12.765 17.379 ( -1.673 1.520 -1.104) 2.516 17.484 ( 2.432 2.595 -0.210) 3.563 17.689 ( 1.833 -0.858 -5.404) 5.771 18.128 ( 4.115 3.458 3.181) 6.246 18.210 ( 3.452 2.714 2.831) 5.225 18.292 ( 10.929 -1.400 -1.512) 11.122 18.398 ( 2.817 -1.206 -1.629) 3.470 20.305 ( 2.548 -1.272 -0.370) 2.872 20.316 ( 0.858 0.142 -0.451) 0.980 20.414 ( 1.117 -1.609 0.868) 2.142 20.513 ( 0.222 -3.470 -1.327) 3.721 26.799 ( 0.009 -5.233 0.614) 5.269 26.833 ( -0.558 -5.260 0.647) 5.329 26.844 ( 0.127 -5.952 -0.230) 5.957 26.895 ( -0.987 -5.818 -0.695) 5.942 36.120 ( 0.609 -3.282 1.474) 3.649 36.204 ( 0.262 -6.865 1.935) 7.137 36.271 ( 1.620 -8.981 4.754) 10.290 36.631 ( -2.815 -15.383 -2.258) 15.800 38.978 ( 0.581 16.289 0.735) 16.316 39.046 ( 2.835 15.576 -0.882) 15.856 39.175 ( -2.498 22.478 4.975) 23.157 40.017 ( -19.156 18.577 -17.531) 31.928 ======================= Grid point 93 (35/72) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 8.390 15.075 -0.065) 17.252 1.179 ( 3.515 7.695 2.067) 8.709 1.325 ( 4.752 4.121 -2.807) 6.888 1.500 ( -2.625 8.289 2.484) 9.043 1.599 ( 1.932 6.847 -2.086) 7.414 1.791 ( 3.326 0.178 1.224) 3.548 1.837 ( -6.239 8.693 1.624) 10.823 1.936 ( -3.264 1.111 3.613) 4.994 2.092 ( 1.971 23.050 1.865) 23.209 2.123 ( -0.682 16.172 -1.683) 16.274 2.259 ( -1.243 22.026 1.001) 22.084 2.303 ( -1.409 10.322 -2.762) 10.778 2.663 ( 2.383 2.960 -0.728) 3.869 2.710 ( 4.751 5.259 -1.033) 7.162 2.754 ( -2.570 3.640 2.011) 4.888 2.837 ( -0.209 5.420 2.001) 5.782 3.016 ( -0.803 10.926 2.444) 11.224 3.161 ( -4.367 7.141 1.009) 8.431 3.262 ( 3.375 -1.319 -1.374) 3.875 3.430 ( -1.201 3.238 -3.623) 5.005 3.555 ( -2.592 -3.596 2.502) 5.090 3.609 ( -2.948 -1.354 3.902) 5.075 3.896 ( 3.596 -2.967 -1.585) 4.924 3.992 ( -1.056 -3.927 -3.060) 5.089 4.556 ( 1.635 -6.936 2.716) 7.626 4.635 ( -2.178 -10.042 1.978) 10.465 4.853 ( -0.544 -8.920 -2.967) 9.416 4.873 ( -1.095 -11.138 -3.543) 11.739 5.425 ( 2.619 2.353 -0.145) 3.524 5.506 ( 1.121 13.465 -2.830) 13.805 5.565 ( -1.221 14.808 -0.711) 14.875 5.588 ( -2.293 10.402 -0.209) 10.654 5.751 ( 1.804 29.073 -1.492) 29.167 5.830 ( 0.437 24.271 -5.264) 24.839 5.882 ( -3.839 14.632 -2.613) 15.351 5.924 ( -4.194 13.591 -2.995) 14.535 6.225 ( 2.256 11.455 -1.246) 11.742 6.293 ( -0.169 10.904 -1.874) 11.065 6.531 ( -0.697 10.793 -2.651) 11.135 6.563 ( -1.978 7.376 -0.248) 7.640 6.988 ( 3.127 -0.791 10.705) 11.180 7.130 ( -3.193 -3.712 12.035) 12.993 7.517 ( 3.231 -3.505 -3.911) 6.166 7.607 ( -1.151 -3.318 -4.242) 5.507 7.956 ( 7.612 1.991 5.331) 9.504 8.090 ( 0.458 -5.397 -0.558) 5.445 8.146 ( -0.721 -3.946 3.103) 5.072 8.416 ( -12.733 4.447 0.913) 13.518 8.924 ( 0.019 10.073 -1.203) 10.145 8.974 ( -1.571 9.421 -1.633) 9.690 9.676 ( 2.226 1.946 -0.148) 2.960 9.729 ( 0.145 6.678 -1.859) 6.933 10.043 ( 0.814 15.506 0.274) 15.530 10.100 ( 0.436 11.306 -0.874) 11.348 10.190 ( -1.833 13.903 1.173) 14.072 10.366 ( -15.165 21.962 -2.130) 26.774 17.095 ( 0.339 3.987 1.307) 4.210 17.106 ( -0.452 3.266 1.905) 3.808 17.236 ( 2.449 3.044 0.110) 3.908 17.310 ( -0.181 12.906 -0.252) 12.910 17.334 ( -1.111 11.301 -0.583) 11.370 17.344 ( -1.712 3.446 0.454) 3.875 17.551 ( 3.908 0.217 -2.318) 4.549 17.681 ( -2.058 -1.451 -4.378) 5.050 18.229 ( 5.173 2.334 3.093) 6.464 18.278 ( 2.766 1.779 2.886) 4.375 18.458 ( 4.644 -2.704 -2.260) 5.830 18.480 ( 5.161 -4.148 -2.216) 6.982 20.337 ( 1.231 0.002 -0.238) 1.254 20.351 ( 1.459 -1.559 -0.251) 2.150 20.448 ( 2.294 -3.877 -0.849) 4.584 20.513 ( -0.399 -4.476 -1.646) 4.786 26.801 ( 0.193 -5.180 0.601) 5.218 26.820 ( -0.714 -5.171 0.631) 5.258 26.848 ( 0.330 -5.996 -0.400) 6.019 26.874 ( -1.041 -5.855 -0.580) 5.975 36.137 ( 1.130 -3.972 2.395) 4.773 36.191 ( -1.302 -6.515 4.594) 8.078 36.338 ( 4.891 -9.012 -0.034) 10.253 36.554 ( -4.981 -13.428 -2.081) 14.473 38.999 ( 1.678 17.216 1.280) 17.345 39.105 ( -1.990 20.009 2.205) 20.228 39.144 ( 5.050 19.233 -0.418) 19.889 39.623 ( -18.922 23.929 -8.726) 31.730 ======================= Grid point 94 (36/72) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -6.473 9.692 0.694) 11.675 1.134 ( 6.473 9.692 0.694) 11.675 1.423 ( -5.173 5.270 -2.710) 7.866 1.423 ( 5.173 5.270 -2.710) 7.866 1.704 ( -7.128 9.634 2.248) 12.193 1.704 ( 7.128 9.634 2.248) 12.193 1.861 ( -3.940 0.422 2.550) 4.713 1.861 ( 3.940 0.422 2.550) 4.713 2.120 ( -0.641 16.718 -0.435) 16.736 2.120 ( 0.641 16.718 -0.435) 16.736 2.264 ( -1.824 18.352 -0.424) 18.448 2.264 ( 1.824 18.352 -0.424) 18.448 2.702 ( -2.251 3.891 0.662) 4.544 2.702 ( 2.251 3.891 0.662) 4.544 2.811 ( -3.481 5.082 -1.047) 6.248 2.811 ( 3.481 5.082 -1.047) 6.248 3.046 ( -4.809 8.182 3.729) 10.197 3.046 ( 4.809 8.182 3.729) 10.197 3.358 ( -5.244 0.187 -4.155) 6.693 3.358 ( 5.244 0.187 -4.155) 6.693 3.560 ( -2.064 -1.284 4.541) 5.151 3.560 ( 2.064 -1.284 4.541) 5.151 3.957 ( -2.510 -3.273 -2.354) 4.749 3.957 ( 2.510 -3.273 -2.354) 4.749 4.593 ( -2.043 -9.003 2.174) 9.484 4.593 ( 2.043 -9.003 2.174) 9.484 4.855 ( -0.676 -9.211 -3.268) 9.797 4.855 ( 0.676 -9.211 -3.268) 9.797 5.485 ( -3.225 9.545 -0.680) 10.098 5.485 ( 3.225 9.544 -0.680) 10.098 5.558 ( -1.331 9.668 -1.309) 9.847 5.558 ( 1.331 9.668 -1.309) 9.847 5.802 ( -3.312 25.989 -2.191) 26.291 5.802 ( 3.312 25.989 -2.191) 26.291 5.861 ( -2.067 17.441 -3.735) 17.956 5.861 ( 2.067 17.441 -3.735) 17.956 6.269 ( -2.034 10.144 -2.199) 10.577 6.269 ( 2.034 10.144 -2.199) 10.577 6.532 ( -0.921 9.376 -0.984) 9.472 6.532 ( 0.921 9.376 -0.984) 9.472 7.058 ( -3.903 -2.200 12.036) 12.843 7.058 ( 3.903 -2.200 12.036) 12.843 7.573 ( -2.358 -3.491 -4.003) 5.811 7.573 ( 2.358 -3.491 -4.003) 5.811 8.086 ( -2.409 -3.886 -0.216) 4.578 8.086 ( 2.409 -3.886 -0.216) 4.578 8.188 ( -8.443 4.570 5.065) 10.855 8.188 ( 8.443 4.570 5.065) 10.855 8.942 ( -1.537 9.383 -1.024) 9.563 8.942 ( 1.537 9.383 -1.024) 9.563 9.716 ( -1.560 4.609 -1.709) 5.157 9.716 ( 1.560 4.609 -1.709) 5.157 10.086 ( -2.686 14.857 0.979) 15.130 10.086 ( 2.686 14.857 0.979) 15.130 10.185 ( -3.173 16.605 -0.986) 16.935 10.185 ( 3.173 16.605 -0.986) 16.935 17.100 ( -0.227 3.903 1.689) 4.259 17.100 ( 0.227 3.903 1.689) 4.259 17.285 ( -2.333 4.995 -0.054) 5.513 17.285 ( 2.333 4.995 -0.054) 5.513 17.325 ( -0.355 10.489 0.123) 10.495 17.325 ( 0.355 10.488 0.123) 10.495 17.625 ( -3.470 -0.698 -3.460) 4.950 17.625 ( 3.470 -0.698 -3.460) 4.950 18.296 ( -1.235 1.634 3.040) 3.665 18.296 ( 1.235 1.634 3.040) 3.665 18.519 ( -1.178 -3.711 -2.139) 4.443 18.519 ( 1.178 -3.711 -2.139) 4.443 20.357 ( -0.612 -0.365 0.098) 0.719 20.357 ( 0.612 -0.365 0.098) 0.719 20.492 ( -1.813 -5.322 -1.911) 5.938 20.492 ( 1.813 -5.322 -1.911) 5.938 26.807 ( -0.513 -5.145 0.603) 5.206 26.807 ( 0.513 -5.145 0.603) 5.206 26.857 ( -0.681 -5.970 -0.511) 6.031 26.857 ( 0.681 -5.970 -0.511) 6.031 36.163 ( -1.453 -5.114 3.683) 6.467 36.163 ( 1.453 -5.114 3.683) 6.467 36.446 ( -5.838 -10.990 -1.493) 12.534 36.446 ( 5.838 -10.990 -1.493) 12.534 39.044 ( -2.928 18.868 2.162) 19.216 39.044 ( 2.928 18.868 2.162) 19.216 39.319 ( -12.161 22.105 -3.853) 25.522 39.319 ( 12.161 22.105 -3.853) 25.522 ======================= Grid point 98 (37/72) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 17.608 3.682) 17.989 1.243 ( 0.000 22.273 -4.663) 22.756 1.359 ( 0.000 9.537 -5.915) 11.222 1.676 ( 0.000 3.477 -5.686) 6.665 1.731 ( 0.000 5.923 4.962) 7.727 1.778 ( 0.000 8.935 3.476) 9.588 2.062 ( 0.000 3.729 2.563) 4.524 2.086 ( 0.000 6.428 3.982) 7.561 2.380 ( 0.000 8.718 -1.645) 8.872 2.426 ( 0.000 7.650 -1.908) 7.885 2.573 ( 0.000 3.108 4.477) 5.450 2.644 ( 0.000 12.743 2.470) 12.980 2.665 ( 0.000 12.259 -2.510) 12.514 2.741 ( 0.000 5.604 -2.543) 6.154 2.894 ( 0.000 3.050 4.643) 5.555 2.936 ( 0.000 -0.913 0.516) 1.049 3.005 ( 0.000 5.825 1.471) 6.007 3.299 ( 0.000 6.205 -4.289) 7.543 3.432 ( 0.000 7.520 0.082) 7.521 3.484 ( 0.000 1.190 -0.308) 1.229 3.642 ( 0.000 0.974 1.602) 1.875 3.660 ( 0.000 -3.019 0.707) 3.101 3.715 ( 0.000 -4.442 0.116) 4.443 3.878 ( 0.000 -6.983 -3.060) 7.624 4.441 ( 0.000 -4.118 1.952) 4.557 4.493 ( 0.000 -7.810 2.740) 8.277 4.628 ( 0.000 -12.717 -1.224) 12.776 4.698 ( 0.000 -8.615 -2.805) 9.061 5.372 ( 0.000 1.080 -0.307) 1.123 5.539 ( 0.000 3.074 -4.910) 5.793 5.755 ( 0.000 3.001 -0.136) 3.004 5.864 ( 0.000 -6.114 0.201) 6.117 5.923 ( 0.000 8.764 -3.141) 9.310 5.974 ( 0.000 1.195 -1.914) 2.256 6.218 ( 0.000 5.076 -4.028) 6.481 6.249 ( 0.000 5.076 -5.498) 7.483 6.551 ( 0.000 15.165 0.908) 15.192 6.568 ( 0.000 16.016 -1.295) 16.068 6.674 ( 0.000 1.897 3.474) 3.959 6.826 ( 0.000 16.745 4.974) 17.469 7.046 ( 0.000 7.693 5.149) 9.257 7.127 ( 0.000 -1.076 6.377) 6.467 7.326 ( 0.000 -7.363 -1.173) 7.456 7.493 ( 0.000 -9.595 -4.329) 10.526 7.843 ( 0.000 4.900 6.365) 8.033 8.001 ( 0.000 -1.998 -0.158) 2.004 8.142 ( 0.000 2.528 1.975) 3.208 8.628 ( 0.000 -3.259 -2.307) 3.993 9.159 ( 0.000 9.005 -3.930) 9.825 9.267 ( 0.000 15.037 -4.551) 15.710 9.609 ( 0.000 -0.079 5.585) 5.586 9.866 ( 0.000 6.825 -2.297) 7.201 10.367 ( 0.000 18.101 -0.597) 18.111 10.405 ( 0.000 20.273 -1.450) 20.325 10.550 ( 0.000 17.711 4.006) 18.159 11.112 ( 0.000 4.527 -8.676) 9.786 17.136 ( 0.000 1.829 0.409) 1.875 17.151 ( 0.000 1.055 1.690) 1.992 17.184 ( 0.000 -0.544 -0.693) 0.881 17.339 ( 0.000 -1.894 -1.933) 2.706 17.493 ( 0.000 2.624 -0.905) 2.776 17.497 ( 0.000 4.779 -0.861) 4.856 17.607 ( 0.000 4.273 -0.196) 4.277 17.684 ( 0.000 0.663 -3.107) 3.177 18.213 ( 0.000 8.249 3.108) 8.815 18.251 ( 0.000 7.714 1.241) 7.813 18.298 ( 0.000 8.389 2.181) 8.668 18.397 ( 0.000 3.725 -0.639) 3.779 20.284 ( 0.000 0.558 0.262) 0.616 20.314 ( 0.000 0.553 -0.508) 0.750 20.377 ( 0.000 -1.362 0.959) 1.666 20.450 ( 0.000 -2.897 -0.786) 3.002 26.695 ( 0.000 -5.059 0.451) 5.080 26.723 ( 0.000 -5.834 -0.094) 5.834 26.731 ( 0.000 -5.526 0.549) 5.553 26.782 ( 0.000 -6.481 -0.628) 6.512 36.058 ( 0.000 -2.451 0.394) 2.483 36.076 ( 0.000 -5.649 0.017) 5.649 36.102 ( 0.000 -6.586 4.162) 7.791 36.378 ( 0.000 -12.461 -2.171) 12.648 39.277 ( 0.000 14.132 0.700) 14.149 39.294 ( 0.000 12.918 -0.042) 12.918 39.624 ( 0.000 19.847 4.699) 20.396 40.358 ( 0.000 2.059 -12.378) 12.548 ======================= Grid point 99 (38/72) ======================= q-point: ( 0.17 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 2.312 21.080 -2.915) 21.405 1.278 ( 4.820 14.045 2.355) 15.035 1.385 ( 2.682 9.896 -5.447) 11.610 1.682 ( 0.093 4.005 -3.971) 5.641 1.734 ( 0.710 8.376 4.681) 9.622 1.791 ( 1.241 7.402 2.809) 8.013 2.029 ( -2.860 4.184 2.006) 5.450 2.072 ( -1.802 7.186 3.344) 8.129 2.375 ( 0.022 9.612 -1.471) 9.724 2.432 ( -0.249 6.909 -2.474) 7.343 2.517 ( -3.816 7.749 3.901) 9.477 2.641 ( 1.691 5.667 0.001) 5.914 2.698 ( -0.071 15.664 -0.020) 15.664 2.744 ( 1.420 3.913 -1.300) 4.361 2.870 ( -1.952 3.116 2.534) 4.466 2.921 ( -0.458 2.404 0.970) 2.633 3.090 ( 6.164 2.039 1.140) 6.592 3.271 ( -2.459 5.855 -3.703) 7.352 3.408 ( -3.009 7.177 0.944) 7.839 3.488 ( 0.772 2.078 0.251) 2.231 3.574 ( -4.895 -2.342 1.213) 5.561 3.659 ( -1.307 0.739 1.072) 1.845 3.753 ( 3.358 -4.497 -0.426) 5.629 3.889 ( 0.792 -6.706 -2.628) 7.246 4.440 ( -0.128 -4.331 1.891) 4.728 4.484 ( -0.930 -7.554 2.499) 8.011 4.633 ( 0.425 -12.307 -1.383) 12.392 4.692 ( -0.592 -8.523 -2.773) 8.982 5.382 ( 1.174 0.957 -0.144) 1.521 5.550 ( 1.136 3.005 -4.844) 5.812 5.720 ( -3.321 2.618 -0.376) 4.246 5.865 ( -1.340 -4.961 -2.119) 5.558 5.914 ( 0.510 7.652 -1.234) 7.767 5.983 ( 0.886 2.069 -1.893) 2.941 6.195 ( -2.201 4.878 -3.520) 6.405 6.227 ( -2.122 5.169 -4.371) 7.094 6.552 ( 0.093 14.741 0.666) 14.757 6.566 ( -0.104 14.556 -0.967) 14.589 6.684 ( 0.904 4.245 2.696) 5.110 6.821 ( -0.683 15.477 4.260) 16.067 7.040 ( -0.283 7.267 5.736) 9.262 7.124 ( -0.389 -0.622 6.757) 6.796 7.349 ( 2.235 -7.391 -1.594) 7.884 7.492 ( -0.144 -9.294 -4.279) 10.233 7.893 ( 4.951 4.859 5.585) 8.906 8.011 ( 0.967 -1.513 -0.096) 1.798 8.134 ( -0.772 2.220 2.247) 3.252 8.583 ( -4.758 -2.782 -2.036) 5.876 9.146 ( -0.831 10.126 -2.495) 10.462 9.257 ( -1.080 15.489 -4.155) 16.072 9.637 ( 2.701 0.026 3.931) 4.769 9.864 ( -0.394 6.066 -2.510) 6.576 10.373 ( 0.584 18.161 -0.413) 18.175 10.402 ( -0.013 20.769 -0.856) 20.787 10.537 ( -1.197 17.818 3.106) 18.126 10.994 ( -10.827 9.407 -6.819) 15.881 17.140 ( 0.420 1.624 1.015) 1.961 17.151 ( 0.224 1.792 1.269) 2.208 17.212 ( 2.253 -0.410 -0.539) 2.353 17.352 ( 0.792 -1.814 -1.812) 2.684 17.487 ( 0.272 3.874 -0.023) 3.883 17.520 ( 1.625 4.187 -1.855) 4.859 17.589 ( -1.436 5.403 -0.132) 5.592 17.683 ( -0.385 -0.186 -3.005) 3.036 18.244 ( 3.252 8.172 2.811) 9.234 18.292 ( 3.089 5.948 1.869) 6.958 18.353 ( 5.249 6.615 0.998) 8.504 18.418 ( 2.116 3.426 -0.465) 4.053 20.296 ( 1.175 0.098 0.163) 1.190 20.322 ( 0.757 0.477 -0.497) 1.023 20.384 ( 0.564 -1.502 0.751) 1.771 20.448 ( -0.226 -2.982 -0.778) 3.090 26.695 ( 0.030 -5.066 0.446) 5.086 26.723 ( -0.143 -5.710 0.092) 5.712 26.727 ( -0.219 -5.602 0.304) 5.615 26.774 ( -0.816 -6.334 -0.555) 6.411 36.059 ( 0.161 -2.728 0.647) 2.808 36.079 ( 0.095 -5.502 1.787) 5.786 36.117 ( 1.797 -6.785 1.910) 7.274 36.361 ( -1.716 -12.046 -2.065) 12.342 39.285 ( 1.166 14.347 0.918) 14.423 39.337 ( 4.095 13.350 -0.519) 13.973 39.590 ( -3.355 19.474 4.324) 20.228 40.234 ( -11.737 5.312 -10.532) 16.640 ======================= Grid point 100 (39/72) ======================= q-point: ( 0.33 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.660 15.848 -1.960) 16.189 1.362 ( 2.159 10.216 3.168) 10.912 1.461 ( 4.881 10.179 -3.476) 11.811 1.654 ( -3.255 6.185 -0.776) 7.032 1.782 ( 4.688 10.192 2.366) 11.466 1.832 ( 3.018 6.604 1.421) 7.399 1.966 ( -3.373 6.454 0.978) 7.348 2.010 ( -4.548 7.399 1.701) 8.850 2.378 ( 0.204 10.139 -0.619) 10.160 2.414 ( -1.617 8.801 2.113) 9.195 2.487 ( 1.590 7.933 -2.732) 8.540 2.638 ( -3.906 12.218 -2.010) 12.984 2.714 ( 3.928 2.698 1.696) 5.058 2.795 ( 2.632 3.914 -0.781) 4.781 2.835 ( -1.208 6.396 2.060) 6.828 2.910 ( -0.930 2.174 0.490) 2.415 3.195 ( 2.712 4.638 0.602) 5.407 3.237 ( 1.246 1.393 -2.329) 2.986 3.315 ( -5.856 7.270 1.908) 9.528 3.447 ( -5.738 -2.687 -0.885) 6.398 3.541 ( 2.178 2.580 2.712) 4.331 3.625 ( -1.860 2.648 1.915) 3.760 3.822 ( 3.359 -4.738 -1.185) 5.927 3.896 ( -0.271 -6.004 -2.068) 6.356 4.438 ( -0.040 -4.938 1.792) 5.253 4.461 ( -1.197 -6.834 2.060) 7.237 4.645 ( 0.788 -11.220 -1.819) 11.393 4.678 ( -0.797 -8.778 -2.650) 9.204 5.423 ( 3.095 0.868 0.032) 3.214 5.571 ( -0.584 1.895 -3.318) 3.866 5.655 ( -1.375 3.089 -1.888) 3.872 5.798 ( -4.669 1.279 -4.304) 6.478 5.957 ( 3.056 2.043 -0.132) 3.678 6.006 ( 1.265 2.749 -1.978) 3.615 6.145 ( -2.485 4.436 -2.352) 5.602 6.173 ( -3.122 5.274 -2.541) 6.635 6.555 ( 0.246 13.825 0.148) 13.828 6.564 ( -0.124 12.979 -0.458) 12.988 6.708 ( 1.604 8.105 1.743) 8.444 6.793 ( -2.147 13.278 2.577) 13.695 7.046 ( 0.990 5.615 7.119) 9.120 7.107 ( -1.321 0.837 7.496) 7.658 7.403 ( 3.020 -7.616 -2.411) 8.541 7.484 ( -0.859 -8.734 -3.840) 9.579 8.009 ( 4.879 3.190 2.060) 6.183 8.040 ( 2.461 0.918 -0.249) 2.638 8.127 ( 1.390 1.446 4.241) 4.691 8.445 ( -9.011 -0.690 -0.208) 9.039 9.145 ( 0.910 12.353 -1.225) 12.447 9.224 ( -2.196 15.455 -2.974) 15.891 9.707 ( 4.182 0.772 0.840) 4.335 9.844 ( -1.874 4.152 -2.626) 5.258 10.390 ( 1.188 18.454 0.178) 18.493 10.413 ( 1.062 21.042 0.592) 21.077 10.514 ( -0.464 18.541 0.738) 18.561 10.757 ( -11.967 17.044 -3.647) 21.142 17.151 ( 0.570 1.987 1.486) 2.546 17.157 ( 0.309 2.306 1.391) 2.711 17.260 ( 2.611 -0.216 -0.596) 2.687 17.348 ( -1.296 -1.109 -1.114) 2.037 17.506 ( 1.344 5.493 -0.091) 5.656 17.552 ( 0.040 7.211 -1.360) 7.338 17.572 ( 1.345 2.111 -1.276) 2.809 17.663 ( -1.632 -0.176 -2.814) 3.258 18.320 ( 3.826 6.768 2.647) 8.213 18.350 ( 2.416 5.468 2.376) 6.432 18.456 ( 4.129 3.059 -0.441) 5.157 18.471 ( 2.913 2.605 -0.089) 3.909 20.328 ( 1.868 -0.596 -0.038) 1.961 20.340 ( 1.005 0.201 -0.344) 1.081 20.394 ( 0.476 -1.974 0.177) 2.038 20.437 ( -1.031 -3.160 -0.754) 3.409 26.697 ( 0.200 -5.099 0.440) 5.121 26.714 ( -0.593 -5.332 0.471) 5.385 26.729 ( 0.292 -5.877 -0.204) 5.887 26.755 ( -0.995 -6.093 -0.418) 6.188 36.064 ( 0.298 -3.297 1.274) 3.547 36.077 ( -0.279 -4.918 2.605) 5.572 36.171 ( 3.452 -7.777 -0.122) 8.509 36.313 ( -3.123 -10.902 -1.720) 11.471 39.326 ( 3.017 15.435 1.391) 15.789 39.451 ( 6.394 14.481 -1.577) 15.908 39.510 ( -3.069 17.760 3.235) 18.312 39.954 ( -15.527 10.708 -6.796) 20.049 ======================= Grid point 101 (40/72) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -2.112 11.526 1.034) 11.763 1.355 ( 2.112 11.526 1.034) 11.763 1.564 ( -5.414 8.172 -0.655) 9.825 1.564 ( 5.414 8.172 -0.655) 9.825 1.895 ( -4.248 11.367 0.253) 12.138 1.895 ( 4.248 11.367 0.253) 12.138 1.904 ( -4.674 4.819 1.020) 6.790 1.904 ( 4.674 4.819 1.020) 6.790 2.387 ( -0.862 10.037 1.414) 10.173 2.387 ( 0.862 10.037 1.414) 10.173 2.553 ( -4.352 9.042 -3.185) 10.528 2.553 ( 4.352 9.042 -3.185) 10.528 2.781 ( -2.619 4.689 1.610) 5.607 2.781 ( 2.619 4.689 1.610) 5.607 2.873 ( -2.997 2.520 -0.211) 3.921 2.873 ( 2.997 2.520 -0.211) 3.921 3.219 ( -2.780 8.088 1.475) 8.679 3.219 ( 2.780 8.088 1.475) 8.679 3.330 ( -5.792 -2.709 -1.209) 6.508 3.330 ( 5.792 -2.709 -1.209) 6.508 3.587 ( -2.142 3.286 2.644) 4.731 3.587 ( 2.142 3.286 2.644) 4.731 3.875 ( -1.937 -5.267 -1.645) 5.848 3.875 ( 1.937 -5.267 -1.645) 5.848 4.443 ( -0.626 -5.846 1.809) 6.152 4.443 ( 0.626 -5.846 1.809) 6.152 4.661 ( -0.874 -9.841 -2.326) 10.150 4.661 ( 0.874 -9.841 -2.326) 10.150 5.501 ( -4.655 1.042 -0.380) 4.785 5.501 ( 4.655 1.042 -0.380) 4.785 5.704 ( -4.593 2.919 -4.447) 7.028 5.704 ( 4.593 2.919 -4.447) 7.028 6.009 ( -1.616 1.796 -1.329) 2.758 6.009 ( 1.616 1.796 -1.329) 2.758 6.124 ( -1.106 5.093 -1.670) 5.473 6.124 ( 1.106 5.093 -1.670) 5.473 6.560 ( -0.292 12.935 -0.169) 12.939 6.560 ( 0.292 12.935 -0.169) 12.939 6.747 ( -2.358 11.125 1.613) 11.486 6.747 ( 2.358 11.125 1.613) 11.486 7.075 ( -1.794 3.099 7.800) 8.583 7.075 ( 1.794 3.099 7.800) 8.583 7.455 ( -2.114 -8.137 -3.144) 8.976 7.455 ( 2.114 -8.137 -3.144) 8.976 8.053 ( -1.174 1.447 -0.057) 1.864 8.053 ( 1.174 1.447 -0.057) 1.864 8.255 ( -9.711 1.675 3.117) 10.336 8.255 ( 9.711 1.675 3.117) 10.336 9.178 ( -2.274 14.275 -1.713) 14.556 9.178 ( 2.274 14.275 -1.713) 14.556 9.787 ( -3.777 2.189 -1.591) 4.647 9.787 ( 3.777 2.189 -1.591) 4.647 10.416 ( -1.094 19.040 1.180) 19.108 10.416 ( 1.094 19.040 1.180) 19.108 10.568 ( -6.642 20.278 -1.681) 21.404 10.568 ( 6.642 20.278 -1.681) 21.404 17.159 ( -0.176 2.342 1.556) 2.817 17.159 ( 0.176 2.342 1.556) 2.817 17.310 ( -2.399 -0.433 -0.689) 2.533 17.310 ( 2.399 -0.433 -0.689) 2.533 17.532 ( -1.257 6.958 -0.359) 7.080 17.532 ( 1.257 6.958 -0.359) 7.080 17.621 ( -2.608 0.652 -2.577) 3.724 17.621 ( 2.608 0.652 -2.577) 3.724 18.369 ( -0.764 5.664 2.567) 6.266 18.369 ( 0.764 5.664 2.567) 6.266 18.501 ( -0.447 2.060 -0.381) 2.142 18.501 ( 0.447 2.060 -0.381) 2.142 20.351 ( -0.245 -0.197 -0.064) 0.321 20.351 ( 0.245 -0.197 -0.064) 0.321 20.411 ( -1.382 -2.995 -0.568) 3.347 20.411 ( 1.382 -2.995 -0.568) 3.347 26.703 ( -0.465 -5.183 0.451) 5.223 26.703 ( 0.465 -5.183 0.451) 5.223 26.738 ( -0.689 -5.953 -0.310) 6.000 26.738 ( 0.689 -5.953 -0.310) 6.000 36.070 ( -0.348 -4.079 2.055) 4.581 36.070 ( 0.348 -4.079 2.055) 4.581 36.244 ( -3.830 -9.327 -1.096) 10.142 36.244 ( 3.830 -9.327 -1.096) 10.142 39.401 ( -4.580 16.949 2.044) 17.675 39.401 ( 4.580 16.949 2.044) 17.675 39.671 ( -12.883 13.472 -3.480) 18.963 39.671 ( 12.883 13.472 -3.480) 18.963 ======================= Grid point 105 (41/72) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 12.226 0.779) 12.251 1.549 ( 0.000 9.564 -6.098) 11.343 1.597 ( 0.000 10.972 -7.566) 13.328 1.723 ( 0.000 0.974 -3.767) 3.891 1.884 ( 0.000 9.389 6.352) 11.336 1.968 ( 0.000 11.443 4.529) 12.307 2.153 ( 0.000 4.905 3.843) 6.231 2.205 ( 0.000 1.605 3.574) 3.918 2.505 ( 0.000 4.778 -0.416) 4.796 2.539 ( 0.000 3.753 -1.670) 4.108 2.561 ( 0.000 2.006 2.587) 3.274 2.780 ( 0.000 -1.413 0.844) 1.646 2.798 ( 0.000 1.821 -2.169) 2.832 2.816 ( 0.000 2.888 -2.037) 3.534 2.929 ( 0.000 2.043 1.286) 2.414 2.936 ( 0.000 1.058 4.740) 4.857 3.180 ( 0.000 8.897 -2.155) 9.155 3.357 ( 0.000 -0.598 -5.202) 5.236 3.497 ( 0.000 0.844 1.207) 1.473 3.554 ( 0.000 4.620 -1.020) 4.732 3.605 ( 0.000 -2.052 2.357) 3.126 3.625 ( 0.000 -3.837 0.770) 3.913 3.666 ( 0.000 0.350 -0.320) 0.474 3.735 ( 0.000 -6.931 -0.240) 6.935 4.350 ( 0.000 -3.692 1.848) 4.129 4.423 ( 0.000 -7.968 0.458) 7.981 4.426 ( 0.000 -0.231 0.802) 0.835 4.554 ( 0.000 -6.182 -2.381) 6.624 5.420 ( 0.000 3.965 0.075) 3.965 5.602 ( 0.000 2.095 -5.059) 5.476 5.724 ( 0.000 -6.022 1.178) 6.136 5.791 ( 0.000 -0.092 -0.363) 0.374 5.964 ( 0.000 -0.114 -3.587) 3.589 6.042 ( 0.000 2.734 -4.901) 5.612 6.196 ( 0.000 -2.300 0.063) 2.301 6.279 ( 0.000 -1.296 -3.868) 4.079 6.726 ( 0.000 5.139 2.774) 5.840 6.759 ( 0.000 7.415 3.850) 8.355 6.796 ( 0.000 6.623 -3.437) 7.462 7.027 ( 0.000 2.959 3.740) 4.769 7.117 ( 0.000 -0.271 3.404) 3.414 7.161 ( 0.000 3.004 1.741) 3.472 7.163 ( 0.000 -7.680 2.484) 8.072 7.299 ( 0.000 -9.271 -3.590) 9.942 7.937 ( 0.000 3.767 6.453) 7.472 7.987 ( 0.000 0.036 2.090) 2.090 8.260 ( 0.000 8.449 -1.576) 8.595 8.547 ( 0.000 -5.137 -3.040) 5.969 9.327 ( 0.000 7.602 -0.767) 7.640 9.471 ( 0.000 2.743 -1.972) 3.378 9.681 ( 0.000 9.247 2.076) 9.477 9.937 ( 0.000 -0.022 -3.364) 3.365 10.749 ( 0.000 19.190 0.143) 19.191 10.787 ( 0.000 16.677 -0.674) 16.691 10.866 ( 0.000 12.735 2.624) 13.003 11.156 ( 0.000 -0.769 -3.598) 3.680 17.154 ( 0.000 0.518 1.489) 1.577 17.172 ( 0.000 -0.533 -0.138) 0.551 17.190 ( 0.000 2.624 -0.597) 2.691 17.297 ( 0.000 -2.384 -1.513) 2.824 17.513 ( 0.000 0.067 -1.153) 1.155 17.531 ( 0.000 -0.419 -1.472) 1.531 17.640 ( 0.000 0.133 -0.182) 0.225 17.670 ( 0.000 -1.548 -1.215) 1.968 18.387 ( 0.000 8.262 1.659) 8.427 18.410 ( 0.000 7.164 1.175) 7.260 18.448 ( 0.000 5.984 1.960) 6.297 18.484 ( 0.000 3.919 0.522) 3.954 20.298 ( 0.000 0.886 0.248) 0.920 20.326 ( 0.000 0.461 -0.569) 0.733 20.354 ( 0.000 -0.718 0.771) 1.054 20.400 ( 0.000 -2.206 -0.450) 2.251 26.617 ( 0.000 -2.656 0.109) 2.658 26.629 ( 0.000 -3.531 -0.038) 3.531 26.639 ( 0.000 -3.556 0.474) 3.588 26.669 ( 0.000 -4.773 -0.311) 4.783 35.987 ( 0.000 -3.174 0.683) 3.247 35.997 ( 0.000 -3.591 2.140) 4.180 36.036 ( 0.000 -0.129 -0.084) 0.154 36.179 ( 0.000 -7.905 -1.597) 8.065 39.495 ( 0.000 7.775 1.102) 7.852 39.496 ( 0.000 7.410 0.605) 7.434 39.964 ( 0.000 14.984 1.597) 15.069 40.337 ( 0.000 -3.999 -6.373) 7.524 ======================= Grid point 106 (42/72) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.589 9.866 1.068) 9.941 1.538 ( -0.627 8.877 -4.920) 10.169 1.632 ( 2.369 10.393 -4.964) 11.758 1.734 ( 0.793 1.257 -2.775) 3.148 1.891 ( 1.014 9.366 5.327) 10.822 1.993 ( 2.420 12.103 3.521) 12.835 2.126 ( -1.241 4.441 1.188) 4.762 2.232 ( 1.107 5.303 2.884) 6.137 2.488 ( -1.975 3.283 1.193) 4.013 2.529 ( -0.610 4.532 -0.722) 4.630 2.565 ( 1.293 2.318 -0.282) 2.670 2.754 ( -2.726 -2.476 -0.314) 3.696 2.796 ( -0.024 4.553 0.218) 4.559 2.825 ( 1.236 2.356 -2.585) 3.710 2.928 ( -0.119 1.070 1.671) 1.988 2.961 ( 1.493 1.047 4.482) 4.839 3.186 ( 0.776 6.887 -2.087) 7.238 3.333 ( -1.844 -0.065 -4.365) 4.739 3.502 ( -2.127 0.636 0.350) 2.247 3.524 ( -3.484 4.036 -0.368) 5.344 3.549 ( -1.741 0.068 2.098) 2.727 3.646 ( 2.393 -4.683 -0.465) 5.280 3.689 ( 0.878 0.086 1.245) 1.526 3.751 ( 1.333 -6.623 -0.364) 6.766 4.353 ( 0.240 -3.334 1.719) 3.759 4.416 ( -0.856 -0.785 0.715) 1.364 4.433 ( 0.878 -7.358 0.391) 7.421 4.546 ( -0.782 -6.326 -2.257) 6.762 5.431 ( 1.199 4.057 0.019) 4.231 5.611 ( 0.870 2.091 -5.042) 5.527 5.722 ( -0.783 -4.775 -0.003) 4.839 5.767 ( -1.827 -0.748 0.010) 1.974 5.975 ( 0.995 -0.115 -3.663) 3.797 6.035 ( -0.508 2.731 -4.307) 5.126 6.175 ( -1.962 -2.310 0.059) 3.032 6.257 ( -2.213 -1.299 -3.522) 4.358 6.718 ( -0.560 5.427 3.028) 6.240 6.745 ( -0.875 7.158 2.483) 7.627 6.820 ( 1.812 6.011 -1.608) 6.481 7.007 ( -1.973 2.276 3.313) 4.478 7.110 ( -0.438 -0.256 4.125) 4.156 7.153 ( -0.540 2.569 1.641) 3.096 7.193 ( 2.461 -7.071 1.720) 7.682 7.303 ( 0.294 -8.940 -3.570) 9.630 7.980 ( 4.225 3.162 6.014) 8.001 8.008 ( 2.092 0.610 2.013) 2.967 8.241 ( -1.871 7.809 -1.114) 8.107 8.510 ( -3.838 -4.807 -2.331) 6.578 9.337 ( 1.346 8.921 -0.288) 9.026 9.501 ( 2.404 5.345 -3.858) 7.017 9.674 ( -0.385 6.542 2.687) 7.083 9.921 ( -1.673 -0.528 -3.370) 3.800 10.751 ( 0.225 18.731 0.268) 18.734 10.789 ( 0.307 16.583 -0.378) 16.591 10.856 ( -0.874 12.979 2.113) 13.179 11.108 ( -4.612 1.722 -3.090) 5.812 17.163 ( 0.950 0.962 1.363) 1.920 17.193 ( 0.748 1.880 -0.407) 2.064 17.198 ( 1.740 -0.132 -0.158) 1.752 17.307 ( 0.662 -2.701 -1.464) 3.143 17.519 ( 0.979 0.632 -0.714) 1.366 17.552 ( 1.759 -0.426 -1.879) 2.609 17.636 ( -0.450 0.439 -0.192) 0.657 17.669 ( -0.154 -1.349 -1.245) 1.842 18.411 ( 2.337 7.837 1.689) 8.350 18.431 ( 2.007 6.913 1.479) 7.349 18.479 ( 2.858 5.143 1.433) 6.055 18.502 ( 1.744 3.848 0.662) 4.276 20.305 ( 0.686 0.775 0.231) 1.060 20.332 ( 0.572 0.391 -0.571) 0.898 20.359 ( 0.377 -0.838 0.658) 1.130 20.399 ( -0.170 -2.098 -0.425) 2.147 26.616 ( -0.032 -2.709 0.127) 2.712 26.629 ( 0.004 -3.550 -0.030) 3.551 26.635 ( -0.287 -3.509 0.417) 3.545 26.663 ( -0.540 -4.619 -0.273) 4.659 35.992 ( 0.383 -2.975 1.384) 3.303 36.009 ( 1.308 -3.840 1.082) 4.198 36.033 ( -0.268 -0.367 0.093) 0.464 36.168 ( -1.090 -7.658 -1.467) 7.873 39.510 ( 2.065 8.372 1.095) 8.692 39.539 ( 3.974 7.029 0.254) 8.079 39.922 ( -4.190 14.481 1.537) 15.153 40.258 ( -7.659 -2.399 -5.665) 9.824 ======================= Grid point 107 (43/72) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.343 8.153 -1.419) 8.283 1.541 ( 1.121 7.739 2.732) 8.283 1.654 ( 0.163 6.019 -0.672) 6.058 1.727 ( -2.037 1.253 0.970) 2.581 1.951 ( 5.204 10.655 -0.462) 11.867 2.050 ( 2.857 11.519 1.174) 11.926 2.121 ( 0.487 7.585 -2.109) 7.887 2.212 ( -3.178 10.480 -0.382) 10.958 2.473 ( 1.068 1.170 1.726) 2.343 2.524 ( -0.219 4.909 0.024) 4.914 2.594 ( 1.458 2.774 -1.558) 3.500 2.691 ( -3.564 -2.512 -2.175) 4.872 2.808 ( 1.882 4.927 1.812) 5.577 2.860 ( 1.873 2.438 0.146) 3.078 2.920 ( -0.667 0.849 1.967) 2.243 2.966 ( -1.127 1.950 3.493) 4.157 3.217 ( 2.564 2.345 -1.454) 3.767 3.305 ( -0.654 1.003 -3.055) 3.281 3.397 ( -5.975 0.088 -0.111) 5.977 3.420 ( -6.211 1.804 -0.092) 6.468 3.589 ( 3.149 2.065 1.654) 4.113 3.670 ( -0.469 1.008 0.302) 1.152 3.722 ( 2.569 -4.760 0.436) 5.426 3.770 ( 0.427 -6.007 -0.255) 6.027 4.360 ( 0.492 -2.379 1.452) 2.830 4.394 ( -1.201 -0.623 0.952) 1.654 4.458 ( 1.579 -7.523 -0.297) 7.692 4.524 ( -1.465 -6.725 -1.840) 7.124 5.472 ( 3.076 4.070 -0.299) 5.111 5.621 ( -1.330 2.900 -3.570) 4.788 5.683 ( -1.097 -1.262 -2.329) 2.868 5.744 ( -1.123 -3.765 -1.117) 4.085 5.996 ( 1.187 0.806 -3.227) 3.531 6.036 ( 0.586 2.198 -2.924) 3.705 6.132 ( -1.871 -2.664 -0.259) 3.265 6.200 ( -3.392 -1.445 -2.812) 4.637 6.713 ( 0.063 5.860 3.285) 6.718 6.730 ( -0.650 6.798 3.032) 7.472 6.857 ( 2.059 4.608 -0.595) 5.082 6.958 ( -2.870 2.134 2.134) 4.164 7.107 ( 0.227 0.520 4.123) 4.162 7.139 ( -0.923 1.926 2.344) 3.171 7.245 ( 2.590 -7.591 0.338) 8.027 7.304 ( -0.353 -8.516 -2.841) 8.984 8.056 ( 3.249 2.409 2.019) 4.521 8.098 ( 6.789 1.746 3.759) 7.954 8.193 ( -2.697 5.751 0.279) 6.358 8.403 ( -6.825 -3.464 -0.293) 7.660 9.385 ( 3.419 11.485 -0.569) 11.996 9.519 ( -1.428 12.886 -4.376) 13.684 9.698 ( 3.387 -1.297 1.482) 3.918 9.870 ( -3.553 -1.673 -3.074) 4.988 10.760 ( 0.713 17.578 0.633) 17.603 10.795 ( -0.105 16.013 0.929) 16.040 10.846 ( 0.565 13.437 0.169) 13.450 10.999 ( -5.959 7.039 -2.038) 9.445 17.185 ( 1.103 1.595 1.120) 2.240 17.201 ( 0.247 2.385 0.152) 2.403 17.242 ( 2.329 -1.309 -0.518) 2.722 17.308 ( -0.669 -2.675 -1.148) 2.987 17.552 ( 2.135 1.118 -0.462) 2.454 17.590 ( 1.785 -0.154 -2.002) 2.687 17.624 ( -0.578 0.905 -0.291) 1.112 17.661 ( -0.746 -0.814 -1.388) 1.773 18.464 ( 2.622 6.981 1.800) 7.671 18.476 ( 2.099 6.526 1.813) 7.091 18.537 ( 2.489 3.727 0.673) 4.532 18.544 ( 2.203 3.533 0.921) 4.265 20.326 ( 1.389 0.328 0.111) 1.431 20.345 ( 0.661 0.206 -0.448) 0.825 20.365 ( 0.172 -1.005 0.336) 1.074 20.390 ( -0.827 -1.755 -0.338) 1.969 26.616 ( 0.076 -2.852 0.182) 2.859 26.627 ( -0.349 -3.293 0.311) 3.326 26.632 ( 0.130 -3.717 -0.041) 3.719 26.651 ( -0.700 -4.281 -0.197) 4.343 36.001 ( 0.583 -2.371 1.427) 2.828 36.025 ( -0.479 -0.813 0.377) 1.016 36.046 ( 2.234 -4.786 0.273) 5.289 36.138 ( -1.995 -6.953 -1.086) 7.315 39.575 ( 4.496 9.697 1.118) 10.747 39.653 ( 7.664 6.196 -0.812) 9.889 39.814 ( -6.414 13.038 1.444) 14.602 40.064 ( -11.479 1.031 -3.981) 12.194 ======================= Grid point 108 (44/72) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -0.625 7.953 2.233) 8.284 1.547 ( 0.625 7.953 2.233) 8.284 1.675 ( -2.394 2.297 1.385) 3.595 1.675 ( 2.394 2.297 1.385) 3.595 2.053 ( -3.702 9.780 -1.614) 10.581 2.053 ( 3.702 9.780 -1.614) 10.581 2.146 ( -2.539 11.747 -2.580) 12.292 2.146 ( 2.539 11.747 -2.580) 12.292 2.507 ( -1.679 3.083 1.264) 3.731 2.507 ( 1.679 3.083 1.264) 3.731 2.629 ( -2.486 0.699 -2.601) 3.665 2.629 ( 2.486 0.699 -2.601) 3.665 2.860 ( -2.481 2.826 3.213) 4.946 2.860 ( 2.481 2.826 3.213) 4.946 2.928 ( -2.056 2.019 1.410) 3.208 2.928 ( 2.056 2.019 1.410) 3.208 3.290 ( -4.644 -0.514 -0.851) 4.749 3.290 ( 4.644 -0.514 -0.851) 4.749 3.324 ( -2.515 2.123 -1.146) 3.485 3.324 ( 2.515 2.123 -1.146) 3.485 3.643 ( -2.189 2.036 1.181) 3.214 3.643 ( 2.189 2.036 1.181) 3.214 3.762 ( -1.313 -5.577 -0.129) 5.731 3.762 ( 1.313 -5.577 -0.129) 5.731 4.373 ( -0.915 -1.285 1.197) 1.980 4.373 ( 0.915 -1.285 1.197) 1.980 4.492 ( -1.795 -7.194 -1.133) 7.501 4.492 ( 1.795 -7.194 -1.133) 7.501 5.548 ( -4.530 3.661 -1.043) 5.917 5.548 ( 4.530 3.661 -1.043) 5.917 5.709 ( -2.231 -2.250 -3.369) 4.625 5.709 ( 2.231 -2.250 -3.369) 4.625 6.026 ( -1.668 1.424 -1.992) 2.963 6.026 ( 1.668 1.424 -1.992) 2.963 6.137 ( -2.485 -2.142 -1.917) 3.800 6.137 ( 2.485 -2.142 -1.917) 3.800 6.719 ( -0.499 6.373 3.467) 7.272 6.719 ( 0.499 6.373 3.467) 7.272 6.903 ( -2.630 3.069 0.648) 4.094 6.903 ( 2.630 3.069 0.648) 4.094 7.119 ( -0.961 1.242 3.325) 3.678 7.119 ( 0.961 1.242 3.325) 3.678 7.286 ( -1.513 -8.166 -1.281) 8.404 7.286 ( 1.513 -8.166 -1.281) 8.404 8.122 ( -3.312 4.606 0.745) 5.722 8.122 ( 3.312 4.606 0.745) 5.722 8.256 ( -7.841 -1.398 2.399) 8.319 8.256 ( 7.842 -1.398 2.399) 8.319 9.460 ( -3.942 13.565 -1.989) 14.266 9.460 ( 3.942 13.565 -1.989) 14.266 9.786 ( -4.877 -2.641 -1.719) 5.806 9.786 ( 4.877 -2.641 -1.719) 5.806 10.779 ( -1.176 16.285 1.182) 16.370 10.779 ( 1.176 16.285 1.182) 16.370 10.895 ( -4.235 11.687 -1.154) 12.484 10.895 ( 4.235 11.687 -1.154) 12.484 17.200 ( -0.409 2.049 0.678) 2.197 17.200 ( 0.409 2.049 0.678) 2.197 17.283 ( -1.781 -1.982 -0.806) 2.784 17.283 ( 1.781 -1.982 -0.806) 2.784 17.590 ( -1.492 1.088 -0.573) 1.933 17.590 ( 1.492 1.088 -0.573) 1.933 17.638 ( -1.520 -0.189 -1.530) 2.165 17.638 ( 1.520 -0.189 -1.530) 2.165 18.496 ( -0.314 6.484 1.920) 6.769 18.496 ( 0.314 6.484 1.920) 6.769 18.566 ( -0.275 3.213 0.683) 3.297 18.566 ( 0.275 3.213 0.683) 3.297 20.350 ( -0.620 0.051 -0.084) 0.628 20.350 ( 0.620 0.051 -0.084) 0.628 20.370 ( -0.797 -1.297 -0.148) 1.530 20.370 ( 0.797 -1.297 -0.148) 1.530 26.620 ( -0.285 -3.055 0.266) 3.080 26.620 ( 0.285 -3.055 0.266) 3.080 26.639 ( -0.494 -3.959 -0.136) 3.992 26.639 ( 0.494 -3.959 -0.136) 3.992 36.013 ( -0.633 -1.565 0.962) 1.943 36.013 ( 0.633 -1.565 0.962) 1.943 36.093 ( -2.470 -5.917 -0.493) 6.431 36.093 ( 2.470 -5.917 -0.493) 6.431 39.682 ( -6.231 11.473 1.059) 13.099 39.682 ( 6.231 11.473 1.059) 13.099 39.841 ( -10.780 4.091 -2.044) 11.710 39.841 ( 10.780 4.091 -2.044) 11.710 ======================= Grid point 112 (45/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 -2.882 -4.514) 5.356 1.658 ( 0.000 2.882 -4.514) 5.356 1.697 ( 0.000 -4.201 -2.667) 4.976 1.697 ( 0.000 4.201 -2.667) 4.976 2.086 ( 0.000 -9.931 5.068) 11.150 2.086 ( 0.000 9.931 5.068) 11.150 2.170 ( 0.000 -4.916 3.651) 6.124 2.170 ( 0.000 4.916 3.651) 6.124 2.569 ( 0.000 -0.790 -1.002) 1.276 2.569 ( 0.000 0.790 -1.002) 1.276 2.668 ( 0.000 -6.964 0.025) 6.964 2.668 ( 0.000 6.964 0.025) 6.964 2.834 ( 0.000 -0.495 -2.169) 2.224 2.834 ( 0.000 0.495 -2.169) 2.224 2.950 ( 0.000 -0.266 4.203) 4.211 2.950 ( 0.000 0.266 4.203) 4.211 3.299 ( 0.000 -4.343 -4.921) 6.564 3.299 ( 0.000 4.343 -4.921) 6.564 3.533 ( 0.000 -2.940 0.934) 3.085 3.533 ( 0.000 2.940 0.934) 3.085 3.620 ( 0.000 -3.267 2.042) 3.853 3.620 ( 0.000 3.267 2.042) 3.853 3.650 ( 0.000 -3.113 -0.848) 3.227 3.650 ( 0.000 3.113 -0.848) 3.227 4.329 ( 0.000 -1.711 1.708) 2.418 4.329 ( 0.000 1.711 1.708) 2.418 4.459 ( 0.000 -3.450 -1.248) 3.669 4.459 ( 0.000 3.450 -1.248) 3.669 5.526 ( 0.000 -6.616 -0.480) 6.633 5.526 ( 0.000 6.616 -0.480) 6.633 5.738 ( 0.000 -4.207 -1.749) 4.556 5.738 ( 0.000 4.207 -1.749) 4.556 6.009 ( 0.000 -3.937 -3.753) 5.439 6.009 ( 0.000 3.937 -3.753) 5.439 6.223 ( 0.000 -3.632 -1.615) 3.975 6.223 ( 0.000 3.632 -1.615) 3.975 6.826 ( 0.000 -3.292 -1.261) 3.525 6.826 ( 0.000 3.292 -1.261) 3.525 6.916 ( 0.000 -8.953 4.729) 10.125 6.916 ( 0.000 8.953 4.729) 10.125 7.121 ( 0.000 -0.671 4.241) 4.294 7.121 ( 0.000 0.671 4.241) 4.294 7.185 ( 0.000 -1.474 -3.155) 3.483 7.185 ( 0.000 1.474 -3.155) 3.483 7.982 ( 0.000 -1.013 4.761) 4.868 7.982 ( 0.000 1.013 4.761) 4.868 8.424 ( 0.000 -7.624 -2.911) 8.160 8.424 ( 0.000 7.624 -2.911) 8.160 9.442 ( 0.000 -4.088 1.095) 4.232 9.442 ( 0.000 4.088 1.095) 4.232 9.864 ( 0.000 -7.277 -2.925) 7.843 9.864 ( 0.000 7.277 -2.925) 7.843 10.979 ( 0.000 -1.956 0.725) 2.086 10.979 ( 0.000 1.956 0.725) 2.086 11.050 ( 0.000 -10.549 -0.639) 10.569 11.050 ( 0.000 10.549 -0.639) 10.569 17.163 ( 0.000 -0.441 0.683) 0.813 17.163 ( 0.000 0.441 0.683) 0.813 17.245 ( 0.000 -2.867 -1.092) 3.068 17.245 ( 0.000 2.867 -1.092) 3.068 17.516 ( 0.000 -0.537 -1.460) 1.555 17.516 ( 0.000 0.537 -1.460) 1.555 17.644 ( 0.000 -0.723 -0.354) 0.805 17.644 ( 0.000 0.723 -0.354) 0.805 18.485 ( 0.000 -0.542 0.733) 0.912 18.485 ( 0.000 0.542 0.733) 0.912 18.513 ( 0.000 -0.998 1.752) 2.016 18.513 ( 0.000 0.998 1.752) 2.016 20.318 ( 0.000 -1.006 0.117) 1.013 20.318 ( 0.000 1.006 0.117) 1.013 20.364 ( 0.000 -1.426 -0.108) 1.430 20.364 ( 0.000 1.426 -0.108) 1.430 26.593 ( 0.000 -0.140 -0.110) 0.178 26.593 ( 0.000 0.140 -0.110) 0.178 26.610 ( 0.000 -0.988 0.217) 1.012 26.610 ( 0.000 0.988 0.217) 1.012 35.958 ( 0.000 -0.252 1.364) 1.387 35.958 ( 0.000 0.252 1.364) 1.387 36.068 ( 0.000 -3.562 -0.932) 3.682 36.068 ( 0.000 3.562 -0.932) 3.682 39.571 ( 0.000 -0.036 1.096) 1.096 39.571 ( 0.000 0.036 1.096) 1.096 40.204 ( 0.000 -9.598 -2.157) 9.837 40.204 ( 0.000 9.598 -2.157) 9.837 ======================= Grid point 114 (46/72) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.262 -0.602 -2.766) 3.099 1.632 ( -1.262 0.602 -2.766) 3.099 1.724 ( 1.029 -1.997 -1.111) 2.506 1.724 ( 1.029 1.997 -1.111) 2.506 2.086 ( 0.805 -8.272 2.267) 8.615 2.086 ( 0.805 8.272 2.267) 8.615 2.205 ( 2.795 -6.554 2.889) 7.688 2.205 ( 2.795 6.554 2.889) 7.688 2.574 ( 0.342 -1.092 -1.176) 1.641 2.574 ( 0.342 1.092 -1.176) 1.641 2.642 ( -2.204 -7.263 -0.691) 7.621 2.642 ( -2.204 7.263 -0.691) 7.621 2.844 ( 0.945 -0.550 -0.850) 1.385 2.844 ( 0.945 0.550 -0.850) 1.385 2.952 ( 0.107 -1.389 4.382) 4.598 2.952 ( 0.107 1.389 4.382) 4.598 3.286 ( -1.045 -3.757 -4.507) 5.960 3.286 ( -1.045 3.757 -4.507) 5.960 3.538 ( -4.478 -2.343 0.102) 5.055 3.538 ( -4.478 2.343 0.102) 5.055 3.573 ( 1.836 -2.093 1.290) 3.068 3.573 ( 1.836 2.093 1.290) 3.068 3.683 ( 1.429 -0.232 0.378) 1.497 3.683 ( 1.429 0.232 0.378) 1.497 4.337 ( 0.824 -1.901 1.454) 2.531 4.337 ( 0.824 1.901 1.454) 2.531 4.450 ( -0.953 -3.478 -1.042) 3.754 4.450 ( -0.953 3.478 -1.042) 3.754 5.538 ( 1.220 -6.567 -0.772) 6.724 5.538 ( 1.220 6.567 -0.772) 6.724 5.730 ( -0.992 -3.304 -1.817) 3.899 5.730 ( -0.992 3.304 -1.817) 3.899 6.008 ( 0.148 -3.348 -3.522) 4.862 6.008 ( 0.148 3.348 -3.522) 4.862 6.201 ( -2.159 -3.583 -1.612) 4.483 6.201 ( -2.159 3.583 -1.612) 4.483 6.822 ( -0.236 -3.103 -0.487) 3.150 6.822 ( -0.236 3.103 -0.487) 3.150 6.912 ( -0.619 -7.495 4.477) 8.752 6.912 ( -0.619 7.495 4.477) 8.752 7.123 ( 0.423 -1.197 3.466) 3.691 7.123 ( 0.423 1.197 3.466) 3.691 7.188 ( 0.169 -2.677 -2.683) 3.794 7.188 ( 0.169 2.677 -2.683) 3.794 8.013 ( 3.126 -0.436 4.464) 5.467 8.013 ( 3.126 0.436 4.464) 5.467 8.393 ( -3.007 -7.148 -2.157) 8.049 8.393 ( -3.007 7.148 -2.157) 8.049 9.477 ( 3.436 -5.086 0.487) 6.157 9.477 ( 3.436 5.086 0.487) 6.157 9.842 ( -2.253 -7.380 -2.868) 8.232 9.842 ( -2.253 7.380 -2.868) 8.232 10.976 ( -0.256 -1.585 0.659) 1.735 10.976 ( -0.256 1.585 0.659) 1.735 11.037 ( -1.309 -9.357 -0.496) 9.461 11.037 ( -1.309 9.357 -0.496) 9.461 17.181 ( 1.584 -0.867 0.540) 1.885 17.181 ( 1.584 0.867 0.540) 1.885 17.250 ( 0.346 -3.033 -0.963) 3.201 17.250 ( 0.346 3.033 -0.963) 3.201 17.533 ( 1.673 -0.993 -1.404) 2.399 17.533 ( 1.673 0.993 -1.404) 2.399 17.644 ( -0.126 -0.844 -0.391) 0.938 17.644 ( -0.126 0.844 -0.391) 0.938 18.506 ( 2.035 -0.713 0.746) 2.282 18.506 ( 2.035 0.713 0.746) 2.282 18.532 ( 1.783 -0.758 1.762) 2.619 18.532 ( 1.783 0.758 1.762) 2.619 20.323 ( 0.538 -1.009 0.086) 1.147 20.323 ( 0.538 1.009 0.086) 1.147 20.366 ( 0.115 -1.274 -0.113) 1.284 20.366 ( 0.115 1.274 -0.113) 1.284 26.592 ( -0.071 -0.192 -0.092) 0.224 26.592 ( -0.071 0.192 -0.092) 0.224 26.607 ( -0.297 -0.901 0.202) 0.970 26.607 ( -0.297 0.901 0.202) 0.970 35.966 ( 0.809 -0.452 1.200) 1.517 35.966 ( 0.809 0.452 1.200) 1.517 36.062 ( -0.666 -3.367 -0.789) 3.521 36.062 ( -0.666 3.367 -0.789) 3.521 39.601 ( 3.108 -0.778 0.899) 3.328 39.601 ( 3.108 0.778 0.899) 3.328 40.149 ( -5.459 -8.739 -1.897) 10.478 40.149 ( -5.459 8.739 -1.897) 10.478 ======================= Grid point 116 (47/72) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.764 -0.464 0.028) 0.894 1.626 ( 0.764 0.464 0.028) 0.894 1.712 ( -2.173 -1.999 2.458) 3.842 1.712 ( -2.173 1.999 2.458) 3.842 2.135 ( 4.043 -6.037 -2.750) 7.769 2.135 ( 4.043 6.037 -2.750) 7.769 2.248 ( 0.743 -6.168 -0.019) 6.212 2.248 ( 0.743 6.168 -0.019) 6.212 2.576 ( 0.007 -3.641 -1.357) 3.886 2.576 ( 0.007 3.641 -1.357) 3.886 2.607 ( -1.104 -2.406 -0.706) 2.739 2.607 ( -1.104 2.406 -0.706) 2.739 2.871 ( 1.887 -1.581 1.470) 2.867 2.871 ( 1.887 1.581 1.470) 2.867 2.947 ( -0.837 -2.294 4.487) 5.109 2.947 ( -0.837 2.294 4.487) 5.109 3.274 ( 0.305 -2.859 -3.560) 4.576 3.274 ( 0.305 2.859 -3.560) 4.576 3.418 ( -6.507 -1.463 -0.277) 6.675 3.418 ( -6.507 1.463 -0.277) 6.675 3.634 ( 3.131 -2.939 0.643) 4.342 3.634 ( 3.131 2.939 0.643) 4.342 3.697 ( 0.033 -1.551 0.599) 1.664 3.697 ( 0.033 1.551 0.599) 1.664 4.359 ( 1.437 -2.418 0.841) 2.936 4.359 ( 1.437 2.418 0.841) 2.936 4.424 ( -1.593 -3.404 -0.524) 3.795 4.424 ( -1.593 3.404 -0.524) 3.795 5.575 ( 2.563 -6.087 -1.420) 6.755 5.575 ( 2.563 6.087 -1.420) 6.755 5.695 ( -2.633 -2.752 -2.012) 4.307 5.695 ( -2.633 2.752 -2.012) 4.307 6.025 ( 1.804 -2.535 -2.857) 4.224 6.025 ( 1.804 2.535 -2.857) 4.224 6.145 ( -3.418 -3.386 -1.731) 5.113 6.145 ( -3.418 3.386 -1.731) 5.113 6.826 ( 0.778 -3.190 1.021) 3.439 6.826 ( 0.778 3.190 1.021) 3.439 6.888 ( -1.739 -5.229 3.923) 6.764 6.888 ( -1.739 5.229 3.923) 6.764 7.140 ( 1.248 -3.248 1.854) 3.943 7.140 ( 1.248 3.248 1.854) 3.943 7.185 ( -0.564 -3.746 -1.433) 4.051 7.185 ( -0.564 3.746 -1.433) 4.051 8.096 ( 5.190 -1.408 3.418) 6.371 8.096 ( 5.190 1.408 3.418) 6.371 8.313 ( -5.013 -5.703 -0.371) 7.602 8.313 ( -5.013 5.703 -0.371) 7.602 9.566 ( 5.482 -6.516 -0.800) 8.553 9.566 ( 5.482 6.516 -0.800) 8.553 9.777 ( -4.323 -7.521 -2.607) 9.058 9.777 ( -4.323 7.521 -2.607) 9.058 10.973 ( 0.038 -1.283 0.477) 1.369 10.973 ( 0.038 1.283 0.477) 1.369 11.006 ( -1.589 -6.480 -0.161) 6.673 11.006 ( -1.589 6.480 -0.161) 6.673 17.215 ( 1.699 -1.485 0.177) 2.264 17.215 ( 1.699 1.485 0.177) 2.264 17.253 ( -0.181 -2.861 -0.648) 2.939 17.253 ( -0.181 2.861 -0.648) 2.939 17.575 ( 2.325 -1.181 -1.188) 2.865 17.575 ( 2.325 1.181 -1.188) 2.865 17.637 ( -0.656 -1.072 -0.543) 1.369 17.637 ( -0.656 1.072 -0.543) 1.369 18.553 ( 2.379 -0.830 0.931) 2.686 18.553 ( 2.379 0.830 0.931) 2.686 18.570 ( 1.713 -0.737 1.625) 2.474 18.570 ( 1.713 0.737 1.625) 2.474 20.337 ( 0.872 -0.778 0.009) 1.169 20.337 ( 0.872 0.778 0.009) 1.169 20.365 ( -0.276 -0.822 -0.111) 0.874 20.365 ( -0.276 0.822 -0.111) 0.874 26.591 ( 0.010 -0.316 -0.033) 0.318 26.591 ( 0.010 0.316 -0.033) 0.318 26.600 ( -0.375 -0.700 0.150) 0.808 26.600 ( -0.375 0.700 0.150) 0.808 35.988 ( 1.357 -1.113 0.760) 1.912 35.988 ( 1.357 1.113 0.760) 1.912 36.043 ( -1.209 -2.809 -0.389) 3.083 36.043 ( -1.209 2.809 -0.389) 3.083 39.692 ( 6.186 -2.143 0.359) 6.557 39.692 ( 6.186 2.143 0.359) 6.557 40.007 ( -8.532 -6.626 -1.231) 10.873 40.007 ( -8.532 6.626 -1.231) 10.873 ======================= Grid point 118 (48/72) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.634 -3.333 2.472) 4.460 1.660 ( 0.077 -3.232 2.472) 4.070 1.660 ( -0.077 3.232 2.472) 4.070 1.660 ( 1.634 3.333 2.472) 4.460 2.217 ( -3.509 -4.848 -3.422) 6.893 2.217 ( 3.320 -4.814 -3.422) 6.776 2.217 ( -3.320 4.814 -3.422) 6.776 2.217 ( 3.509 4.848 -3.422) 6.893 2.588 ( -0.805 -4.922 -0.666) 5.032 2.588 ( 0.695 -4.918 -0.666) 5.011 2.588 ( -0.695 4.918 -0.666) 5.011 2.588 ( 0.805 4.922 -0.666) 5.032 2.915 ( -2.045 -2.759 3.567) 4.951 2.915 ( 1.233 -2.636 3.567) 4.603 2.915 ( -1.233 2.636 3.567) 4.603 2.915 ( 2.045 2.759 3.567) 4.951 3.312 ( -3.552 -2.045 -1.841) 4.493 3.312 ( -0.658 -1.066 -1.841) 2.226 3.312 ( 0.658 1.066 -1.841) 2.226 3.312 ( 3.552 2.045 -1.841) 4.493 3.682 ( -1.589 -2.646 0.599) 3.144 3.682 ( 1.399 -2.619 0.599) 3.029 3.682 ( -1.399 2.619 0.599) 3.029 3.682 ( 1.589 2.646 0.599) 3.144 4.391 ( -1.720 -3.071 0.135) 3.523 4.391 ( 1.685 -3.066 0.135) 3.502 4.391 ( -1.685 3.066 0.135) 3.502 4.391 ( 1.720 3.071 0.135) 3.523 5.634 ( -3.322 -4.727 -1.946) 6.096 5.634 ( 3.267 -4.717 -1.946) 6.059 5.634 ( -3.267 4.717 -1.946) 6.059 5.634 ( 3.322 4.727 -1.946) 6.096 6.077 ( -3.097 -3.359 -2.150) 5.050 6.077 ( 1.985 -3.142 -2.150) 4.294 6.077 ( -1.985 3.142 -2.150) 4.294 6.077 ( 3.097 3.359 -2.150) 5.050 6.852 ( -1.176 -6.538 2.675) 7.162 6.852 ( 0.858 -6.526 2.675) 7.105 6.852 ( -0.858 6.526 2.675) 7.105 6.852 ( 1.176 6.538 2.675) 7.162 7.166 ( -1.293 -4.133 0.189) 4.334 7.166 ( 1.290 -4.133 0.189) 4.334 7.166 ( -1.290 4.133 0.189) 4.334 7.166 ( 1.293 4.133 0.189) 4.334 8.206 ( -5.752 -3.647 1.672) 7.013 8.206 ( 4.154 -3.057 1.672) 5.422 8.206 ( -4.154 3.057 1.672) 5.422 8.206 ( 5.752 3.647 1.672) 7.013 9.678 ( -5.218 -8.400 -1.944) 10.078 9.678 ( 4.112 -8.245 -1.944) 9.417 9.678 ( -4.112 8.245 -1.944) 9.417 9.678 ( 5.218 8.400 -1.944) 10.078 10.981 ( -0.883 -3.339 0.195) 3.460 10.981 ( 0.881 -3.339 0.195) 3.459 10.981 ( -0.881 3.339 0.195) 3.459 10.981 ( 0.883 3.339 0.195) 3.460 17.241 ( -0.988 -2.196 -0.252) 2.421 17.241 ( 0.986 -2.195 -0.252) 2.420 17.241 ( -0.986 2.195 -0.252) 2.420 17.241 ( 0.988 2.196 -0.252) 2.421 17.615 ( -1.459 -1.516 -0.844) 2.267 17.615 ( 0.536 -1.356 -0.844) 1.685 17.615 ( -0.536 1.356 -0.844) 1.685 17.615 ( 1.459 1.516 -0.844) 2.267 18.584 ( -0.275 -1.885 1.291) 2.301 18.584 ( 0.170 -1.882 1.291) 2.288 18.584 ( -0.170 1.882 1.291) 2.288 18.584 ( 0.275 1.885 1.291) 2.301 20.354 ( -0.757 -0.438 -0.071) 0.877 20.354 ( -0.043 -0.221 -0.071) 0.237 20.354 ( 0.043 0.221 -0.071) 0.237 20.354 ( 0.757 0.438 -0.071) 0.877 26.594 ( -0.217 -0.500 0.060) 0.548 26.594 ( 0.212 -0.499 0.060) 0.546 26.594 ( -0.212 0.499 0.060) 0.546 26.594 ( 0.217 0.500 0.060) 0.548 36.016 ( -1.483 -1.994 0.175) 2.491 36.016 ( 1.480 -1.993 0.175) 2.489 36.016 ( -1.480 1.993 0.175) 2.489 36.016 ( 1.483 1.994 0.175) 2.491 39.837 ( -8.424 -4.248 -0.405) 9.444 39.837 ( -0.437 -0.596 -0.405) 0.843 39.837 ( 0.437 0.596 -0.405) 0.843 39.837 ( 8.424 4.248 -0.405) 9.444 ======================= Grid point 154 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 0.000 18.901) 18.901 0.833 ( 0.000 0.000 17.621) 17.621 1.010 ( 0.000 0.000 9.217) 9.217 1.154 ( 0.000 0.000 -13.320) 13.320 1.204 ( 0.000 0.000 -3.067) 3.067 1.228 ( 0.000 0.000 -14.756) 14.756 1.658 ( 0.000 0.000 7.567) 7.567 1.668 ( 0.000 0.000 1.688) 1.688 1.693 ( 0.000 0.000 -0.821) 0.821 1.812 ( 0.000 0.000 -5.525) 5.525 2.141 ( 0.000 0.000 6.661) 6.661 2.275 ( 0.000 0.000 -6.308) 6.308 2.361 ( 0.000 0.000 3.838) 3.838 2.455 ( 0.000 0.000 -5.035) 5.035 2.629 ( 0.000 0.000 2.352) 2.352 2.674 ( 0.000 0.000 -1.824) 1.824 2.980 ( 0.000 0.000 4.927) 4.927 3.082 ( 0.000 0.000 -4.076) 4.076 3.186 ( 0.000 0.000 8.241) 8.241 3.356 ( 0.000 0.000 -7.453) 7.453 3.791 ( 0.000 0.000 2.874) 2.874 3.816 ( 0.000 0.000 0.452) 0.452 3.975 ( 0.000 0.000 2.799) 2.799 4.088 ( 0.000 0.000 -7.637) 7.637 4.189 ( 0.000 0.000 3.531) 3.531 4.257 ( 0.000 0.000 4.766) 4.766 4.263 ( 0.000 0.000 -3.337) 3.337 4.355 ( 0.000 0.000 -4.507) 4.507 4.792 ( 0.000 0.000 9.166) 9.166 5.014 ( 0.000 0.000 -12.102) 12.102 5.270 ( 0.000 0.000 -0.395) 0.395 5.277 ( 0.000 0.000 -1.227) 1.227 5.523 ( 0.000 0.000 2.741) 2.741 5.528 ( 0.000 0.000 2.785) 2.785 5.581 ( 0.000 0.000 -2.628) 2.628 5.592 ( 0.000 0.000 -3.190) 3.190 5.935 ( 0.000 0.000 0.141) 0.141 5.959 ( 0.000 0.000 -2.187) 2.187 6.349 ( 0.000 0.000 5.980) 5.980 6.458 ( 0.000 0.000 -3.980) 3.980 7.262 ( 0.000 0.000 14.959) 14.959 7.428 ( 0.000 0.000 2.336) 2.336 7.473 ( 0.000 0.000 -1.827) 1.827 7.551 ( 0.000 0.000 -11.824) 11.824 8.190 ( 0.000 0.000 15.399) 15.399 8.309 ( 0.000 0.000 0.362) 0.362 8.316 ( 0.000 0.000 -0.332) 0.332 8.495 ( 0.000 0.000 -13.015) 13.015 8.721 ( 0.000 0.000 2.312) 2.312 8.778 ( 0.000 0.000 -3.094) 3.094 9.783 ( 0.000 0.000 2.455) 2.455 9.796 ( 0.000 0.000 3.158) 3.158 9.837 ( 0.000 0.000 -2.681) 2.681 9.864 ( 0.000 0.000 -3.151) 3.151 9.988 ( 0.000 0.000 10.527) 10.527 10.207 ( 0.000 0.000 -10.127) 10.127 16.955 ( 0.000 0.000 0.272) 0.272 16.960 ( 0.000 0.000 -0.243) 0.243 16.973 ( 0.000 0.000 0.324) 0.324 16.980 ( 0.000 0.000 -0.315) 0.315 17.230 ( 0.000 0.000 5.142) 5.142 17.341 ( 0.000 0.000 -5.087) 5.087 17.432 ( 0.000 0.000 2.142) 2.142 17.490 ( 0.000 0.000 -3.195) 3.195 18.077 ( 0.000 0.000 1.898) 1.898 18.118 ( 0.000 0.000 -1.835) 1.835 18.254 ( 0.000 0.000 5.077) 5.077 18.354 ( 0.000 0.000 -4.344) 4.344 20.282 ( 0.000 0.000 0.522) 0.522 20.294 ( 0.000 0.000 -0.697) 0.697 20.477 ( 0.000 0.000 2.613) 2.613 20.535 ( 0.000 0.000 -2.791) 2.791 26.937 ( 0.000 0.000 1.166) 1.166 26.963 ( 0.000 0.000 -1.345) 1.345 26.982 ( 0.000 0.000 1.467) 1.467 27.012 ( 0.000 0.000 -1.362) 1.362 36.243 ( 0.000 0.000 2.980) 2.980 36.302 ( 0.000 0.000 -2.541) 2.541 37.164 ( 0.000 0.000 0.651) 0.651 37.177 ( 0.000 0.000 -0.642) 0.642 38.562 ( 0.000 0.000 0.977) 0.977 38.583 ( 0.000 0.000 -1.032) 1.032 38.607 ( 0.000 0.000 1.537) 1.537 38.639 ( 0.000 0.000 -1.485) 1.485 ======================= Grid point 155 (50/72) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -1.176 0.000 16.859) 16.900 0.898 ( 6.260 0.000 15.543) 16.756 1.032 ( -2.155 0.000 -9.874) 10.106 1.186 ( 3.044 0.000 -12.045) 12.423 1.257 ( 9.338 0.000 4.115) 10.205 1.359 ( 5.722 0.000 -6.793) 8.882 1.637 ( -3.596 0.000 1.323) 3.831 1.637 ( 0.092 0.000 11.269) 11.269 1.649 ( -3.686 0.000 0.013) 3.686 1.842 ( 3.165 0.000 -6.408) 7.147 2.125 ( -1.629 0.000 5.666) 5.896 2.237 ( -3.535 0.000 -5.123) 6.225 2.384 ( 2.114 0.000 2.841) 3.541 2.461 ( 0.537 0.000 -4.402) 4.434 2.626 ( -0.279 0.000 2.149) 2.167 2.666 ( -0.739 0.000 -1.625) 1.785 2.951 ( -1.749 0.000 6.592) 6.820 3.060 ( -1.457 0.000 -3.612) 3.895 3.243 ( 3.833 0.000 5.071) 6.357 3.368 ( -0.796 0.000 -6.504) 6.552 3.790 ( -1.628 0.000 1.286) 2.075 3.811 ( 2.297 0.000 0.020) 2.297 3.969 ( -0.652 0.000 3.515) 3.575 4.087 ( -0.347 0.000 -7.391) 7.399 4.190 ( 0.057 0.000 3.462) 3.462 4.236 ( -1.166 0.000 2.058) 2.365 4.284 ( 1.172 0.000 -0.788) 1.412 4.351 ( -0.395 0.000 -4.267) 4.285 4.793 ( 0.440 0.000 8.605) 8.616 5.001 ( -1.175 0.000 -11.013) 11.075 5.219 ( -3.611 0.000 0.658) 3.671 5.276 ( -1.477 0.000 -4.595) 4.827 5.484 ( -2.690 0.000 1.163) 2.931 5.485 ( -2.748 0.000 1.043) 2.939 5.624 ( 2.792 0.000 -0.921) 2.940 5.631 ( 2.622 0.000 -1.567) 3.055 5.969 ( 3.404 0.000 0.679) 3.471 6.000 ( 4.223 0.000 -2.448) 4.881 6.337 ( -1.403 0.000 6.011) 6.172 6.448 ( -1.358 0.000 -4.187) 4.402 7.282 ( 2.049 0.000 13.617) 13.771 7.440 ( 1.149 0.000 2.050) 2.350 7.479 ( 0.549 0.000 -1.550) 1.644 7.534 ( -1.730 0.000 -9.665) 9.819 8.187 ( -0.099 0.000 14.459) 14.459 8.303 ( -0.480 0.000 0.307) 0.570 8.310 ( -0.588 0.000 -0.284) 0.654 8.443 ( -4.931 0.000 -8.144) 9.521 8.733 ( 1.195 0.000 2.151) 2.461 8.786 ( 0.720 0.000 -2.925) 3.012 9.784 ( 0.097 0.000 2.482) 2.484 9.795 ( -0.085 0.000 3.076) 3.077 9.839 ( 0.193 0.000 -2.676) 2.683 9.862 ( -0.166 0.000 -3.100) 3.105 9.869 ( -11.222 0.000 6.794) 13.118 9.963 ( -18.485 0.000 -1.054) 18.515 16.954 ( -0.093 0.000 0.227) 0.245 16.957 ( -0.220 0.000 -0.109) 0.245 16.976 ( 0.258 0.000 0.181) 0.315 16.981 ( 0.115 0.000 -0.261) 0.285 17.229 ( 0.942 0.000 5.793) 5.869 17.347 ( 0.423 0.000 -4.120) 4.141 17.449 ( 1.605 0.000 3.031) 3.429 17.567 ( 3.259 0.000 -7.902) 8.548 18.162 ( 7.817 0.000 3.912) 8.741 18.269 ( 12.761 0.000 -7.046) 14.577 18.295 ( 4.069 0.000 4.847) 6.329 18.393 ( 3.857 0.000 -4.331) 5.799 20.309 ( 1.460 0.000 -0.108) 1.464 20.321 ( 3.456 0.000 -1.748) 3.873 20.487 ( 0.968 0.000 2.226) 2.427 20.544 ( 0.793 0.000 -3.027) 3.129 26.936 ( -0.008 0.000 1.184) 1.184 26.963 ( -0.015 0.000 -1.272) 1.272 26.974 ( -0.688 0.000 1.341) 1.507 27.002 ( -0.813 0.000 -1.295) 1.529 36.267 ( 2.488 0.000 3.563) 4.346 36.336 ( 3.411 0.000 -2.879) 4.464 37.014 ( -13.417 0.000 5.612) 14.544 37.081 ( -8.296 0.000 -1.620) 8.453 38.564 ( 0.260 0.000 1.005) 1.038 38.586 ( 0.217 0.000 -0.913) 0.939 38.605 ( -0.149 0.000 1.348) 1.356 38.635 ( -0.338 0.000 -1.443) 1.482 ======================= Grid point 156 (51/72) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 7.961 0.000 8.312) 11.510 1.013 ( -0.160 0.000 -10.737) 10.738 1.054 ( 9.114 0.000 10.909) 14.216 1.253 ( 2.729 0.000 -7.565) 8.042 1.334 ( -1.149 0.000 0.779) 1.388 1.386 ( -2.587 0.000 -4.235) 4.963 1.530 ( -5.603 0.000 1.929) 5.926 1.573 ( -4.374 0.000 -1.684) 4.687 1.767 ( 11.698 0.000 11.506) 16.408 1.929 ( 4.696 0.000 -3.331) 5.757 2.086 ( -2.039 0.000 3.888) 4.390 2.152 ( -4.925 0.000 -2.238) 5.409 2.430 ( 2.339 0.000 0.921) 2.514 2.471 ( 0.298 0.000 -2.864) 2.880 2.621 ( -0.076 0.000 1.436) 1.439 2.647 ( -1.139 0.000 -0.979) 1.502 2.942 ( 1.234 0.000 7.010) 7.118 3.039 ( -0.992 0.000 -1.735) 1.999 3.274 ( -1.014 0.000 -1.614) 1.906 3.300 ( -4.929 0.000 -4.558) 6.714 3.785 ( 1.768 0.000 5.231) 5.522 3.870 ( 1.609 0.000 0.208) 1.623 3.960 ( 0.866 0.000 0.424) 0.964 4.066 ( -1.898 0.000 -6.943) 7.198 4.192 ( 0.244 0.000 3.257) 3.266 4.215 ( -0.931 0.000 2.492) 2.660 4.306 ( 1.055 0.000 -1.653) 1.961 4.341 ( -0.704 0.000 -3.608) 3.676 4.824 ( 2.969 0.000 6.282) 6.949 4.968 ( -2.421 0.000 -5.640) 6.137 5.155 ( -2.093 0.000 -2.765) 3.468 5.223 ( -3.558 0.000 -7.586) 8.379 5.440 ( -1.632 0.000 0.659) 1.760 5.441 ( -1.666 0.000 0.600) 1.771 5.670 ( 1.718 0.000 -0.585) 1.815 5.673 ( 1.552 0.000 -0.939) 1.814 6.060 ( 5.647 0.000 2.244) 6.077 6.113 ( 6.701 0.000 -2.798) 7.262 6.290 ( -3.337 0.000 5.093) 6.089 6.392 ( -4.488 0.000 -4.234) 6.170 7.339 ( 3.634 0.000 9.710) 10.368 7.467 ( 1.393 0.000 1.280) 1.892 7.486 ( -3.171 0.000 -3.688) 4.864 7.489 ( 0.363 0.000 -0.793) 0.872 8.194 ( 1.067 0.000 11.925) 11.973 8.293 ( -0.475 0.000 0.168) 0.504 8.297 ( -0.645 0.000 -0.161) 0.665 8.330 ( -5.826 0.000 1.432) 5.999 8.764 ( 1.743 0.000 1.466) 2.278 8.799 ( 0.348 0.000 -1.742) 1.776 9.627 ( -9.434 0.000 3.278) 9.987 9.686 ( -10.292 0.000 -1.816) 10.451 9.786 ( 0.157 0.000 2.566) 2.571 9.793 ( -0.144 0.000 2.894) 2.897 9.844 ( 0.317 0.000 -2.707) 2.726 9.857 ( -0.292 0.000 -2.970) 2.984 16.952 ( -0.067 0.000 0.150) 0.164 16.954 ( -0.160 0.000 0.008) 0.160 16.981 ( 0.205 0.000 0.041) 0.209 16.983 ( 0.082 0.000 -0.161) 0.181 17.267 ( 2.533 0.000 5.270) 5.847 17.347 ( -0.736 0.000 0.200) 0.763 17.484 ( 2.108 0.000 -0.847) 2.272 17.576 ( -1.536 0.000 -7.362) 7.521 18.321 ( 6.800 0.000 5.840) 8.963 18.369 ( 3.298 0.000 4.227) 5.362 18.474 ( 6.071 0.000 -4.894) 7.797 18.505 ( 6.607 0.000 -8.017) 10.389 20.347 ( 2.232 0.000 0.985) 2.439 20.381 ( 1.826 0.000 -1.874) 2.616 20.515 ( 1.943 0.000 -0.874) 2.131 20.557 ( 0.369 0.000 -3.710) 3.729 26.937 ( 0.165 0.000 1.225) 1.236 26.957 ( -0.783 0.000 1.162) 1.401 26.965 ( 0.152 0.000 -1.204) 1.213 26.986 ( -0.820 0.000 -1.354) 1.583 36.339 ( 4.802 0.000 5.012) 6.941 36.424 ( 4.819 0.000 -2.700) 5.524 36.762 ( -10.333 0.000 8.307) 13.258 36.885 ( -10.688 0.000 -3.889) 11.374 38.571 ( 0.448 0.000 1.055) 1.147 38.588 ( -0.141 0.000 0.214) 0.256 38.605 ( 0.259 0.000 0.035) 0.262 38.626 ( -0.577 0.000 -1.307) 1.429 ======================= Grid point 157 (52/72) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -6.514 0.000 -2.139) 6.856 0.960 ( 6.514 0.000 -2.139) 6.856 1.220 ( -6.639 0.000 3.913) 7.706 1.220 ( 6.639 0.000 3.913) 7.706 1.325 ( -2.026 0.000 -1.924) 2.794 1.325 ( 2.026 0.000 -1.924) 2.794 1.495 ( -2.562 0.000 -2.336) 3.467 1.495 ( 2.562 0.000 -2.336) 3.467 1.959 ( -4.699 0.000 2.787) 5.463 1.959 ( 4.699 0.000 2.787) 5.463 2.066 ( -1.690 0.000 2.261) 2.823 2.066 ( 1.690 0.000 2.261) 2.823 2.465 ( -1.056 0.000 -0.986) 1.445 2.465 ( 1.056 0.000 -0.986) 1.445 2.627 ( -0.753 0.000 0.176) 0.773 2.627 ( 0.753 0.000 0.176) 0.773 2.996 ( -3.476 0.000 3.756) 5.118 2.996 ( 3.476 0.000 3.756) 5.118 3.245 ( -0.240 0.000 -5.414) 5.419 3.245 ( 0.240 0.000 -5.414) 5.419 3.841 ( -3.175 0.000 6.292) 7.048 3.841 ( 3.175 0.000 6.292) 7.048 4.014 ( -3.297 0.000 -5.871) 6.733 4.014 ( 3.297 0.000 -5.871) 6.733 4.200 ( -0.575 0.000 2.927) 2.983 4.200 ( 0.575 0.000 2.927) 2.983 4.325 ( -0.908 0.000 -2.677) 2.827 4.325 ( 0.908 0.000 -2.677) 2.827 4.900 ( -4.285 0.000 2.053) 4.751 4.900 ( 4.285 0.000 2.053) 4.751 5.159 ( -2.329 0.000 -7.712) 8.056 5.159 ( 2.329 0.000 -7.712) 8.056 5.424 ( -0.021 0.000 0.532) 0.533 5.424 ( 0.021 0.000 0.532) 0.533 5.688 ( -0.097 0.000 -0.661) 0.668 5.688 ( 0.097 0.000 -0.661) 0.668 6.167 ( -4.137 0.000 3.373) 5.338 6.167 ( 4.137 0.000 3.373) 5.338 6.284 ( -5.477 0.000 -3.151) 6.318 6.284 ( 5.477 0.000 -3.151) 6.318 7.415 ( -3.952 0.000 3.651) 5.380 7.415 ( 3.952 0.000 3.651) 5.380 7.488 ( -0.593 0.000 0.241) 0.640 7.488 ( 0.593 0.000 0.241) 0.640 8.237 ( -3.502 0.000 8.027) 8.758 8.237 ( 3.502 0.000 8.027) 8.758 8.289 ( -0.092 0.000 -0.000) 0.092 8.289 ( 0.092 0.000 -0.000) 0.092 8.793 ( -1.012 0.000 0.133) 1.021 8.793 ( 1.012 0.000 0.133) 1.021 9.559 ( -2.130 0.000 -1.710) 2.732 9.559 ( 2.130 0.000 -1.710) 2.732 9.790 ( -0.169 0.000 2.708) 2.713 9.790 ( 0.169 0.000 2.708) 2.713 9.851 ( -0.348 0.000 -2.816) 2.838 9.851 ( 0.348 0.000 -2.816) 2.838 16.952 ( -0.039 0.000 0.082) 0.090 16.952 ( 0.039 0.000 0.082) 0.090 16.984 ( -0.056 0.000 -0.063) 0.084 16.984 ( 0.056 0.000 -0.063) 0.084 17.316 ( -2.273 0.000 3.848) 4.470 17.316 ( 2.273 0.000 3.848) 4.470 17.532 ( -2.614 0.000 -5.107) 5.737 17.532 ( 2.614 0.000 -5.107) 5.737 18.397 ( -0.941 0.000 4.911) 5.001 18.397 ( 0.941 0.000 4.911) 5.001 18.554 ( -1.502 0.000 -5.538) 5.738 18.554 ( 1.502 0.000 -5.538) 5.738 20.384 ( -1.254 0.000 0.866) 1.523 20.384 ( 1.254 0.000 0.866) 1.523 20.550 ( -1.208 0.000 -3.898) 4.081 20.550 ( 1.208 0.000 -3.898) 4.081 26.944 ( -0.521 0.000 1.257) 1.361 26.944 ( 0.521 0.000 1.257) 1.361 26.972 ( -0.528 0.000 -1.394) 1.490 26.972 ( 0.528 0.000 -1.394) 1.490 36.440 ( -4.317 0.000 4.605) 6.313 36.440 ( 4.317 0.000 4.605) 6.313 36.708 ( -5.731 0.000 -1.454) 5.912 36.708 ( 5.731 0.000 -1.454) 5.912 38.581 ( -0.481 0.000 0.999) 1.109 38.581 ( 0.481 0.000 0.999) 1.109 38.614 ( -0.622 0.000 -1.001) 1.178 38.614 ( 0.622 0.000 -1.001) 1.178 ======================= Grid point 161 (53/72) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 7.198 15.763) 17.329 0.893 ( 0.000 -0.423 13.800) 13.806 1.150 ( 0.000 -3.505 -4.576) 5.764 1.248 ( 0.000 5.380 -15.183) 16.108 1.356 ( 0.000 28.574 2.684) 28.700 1.431 ( 0.000 20.239 -6.301) 21.197 1.685 ( 0.000 5.500 9.058) 10.597 1.818 ( 0.000 3.430 -2.214) 4.082 1.902 ( 0.000 18.730 0.461) 18.736 1.919 ( 0.000 15.161 -0.794) 15.182 2.148 ( 0.000 1.447 6.112) 6.281 2.240 ( 0.000 -1.186 -2.077) 2.392 2.445 ( 0.000 5.659 -0.865) 5.725 2.484 ( 0.000 2.601 -3.899) 4.687 2.759 ( 0.000 11.047 0.586) 11.063 2.760 ( 0.000 7.686 0.108) 7.687 2.999 ( 0.000 2.817 3.423) 4.433 3.057 ( 0.000 -0.980 -0.742) 1.229 3.202 ( 0.000 2.724 6.173) 6.747 3.346 ( 0.000 -0.440 -6.802) 6.816 3.745 ( 0.000 -3.079 1.591) 3.466 3.756 ( 0.000 -3.348 0.048) 3.348 3.889 ( 0.000 -3.705 2.721) 4.597 3.976 ( 0.000 -4.425 -5.571) 7.114 4.674 ( 0.000 12.165 5.351) 13.290 4.703 ( 0.000 25.017 3.282) 25.232 4.766 ( 0.000 36.375 -3.250) 36.520 4.790 ( 0.000 21.769 -4.600) 22.249 5.021 ( 0.000 22.520 -2.622) 22.672 5.053 ( 0.000 8.667 -5.770) 10.412 5.128 ( 0.000 0.116 0.463) 0.478 5.182 ( 0.000 17.177 -6.106) 18.229 5.464 ( 0.000 -4.556 1.843) 4.915 5.514 ( 0.000 -4.466 -2.792) 5.267 5.738 ( 0.000 16.698 0.174) 16.699 5.768 ( 0.000 14.294 -2.058) 14.441 5.970 ( 0.000 2.943 -1.310) 3.222 5.971 ( 0.000 0.414 -1.291) 1.356 6.399 ( 0.000 5.086 5.725) 7.658 6.503 ( 0.000 3.957 -3.732) 5.439 7.214 ( 0.000 -4.143 13.523) 14.143 7.407 ( 0.000 -2.583 -2.462) 3.568 7.448 ( 0.000 -2.922 2.096) 3.596 7.538 ( 0.000 -1.179 -8.836) 8.914 8.086 ( 0.000 -7.364 9.334) 11.889 8.191 ( 0.000 -8.374 -2.105) 8.635 8.341 ( 0.000 -0.087 6.484) 6.485 8.557 ( 0.000 2.224 -12.365) 12.563 8.763 ( 0.000 4.869 1.905) 5.228 8.816 ( 0.000 4.096 -2.917) 5.028 9.688 ( 0.000 -4.248 2.535) 4.947 9.721 ( 0.000 -6.091 -0.245) 6.096 9.841 ( 0.000 6.077 1.704) 6.311 9.887 ( 0.000 5.062 -2.640) 5.709 10.168 ( 0.000 11.115 9.126) 14.381 10.408 ( 0.000 13.953 -13.868) 19.673 17.016 ( 0.000 4.716 0.934) 4.807 17.035 ( 0.000 5.907 -0.881) 5.973 17.094 ( 0.000 11.254 0.465) 11.264 17.111 ( 0.000 12.079 -1.448) 12.165 17.227 ( 0.000 0.133 4.694) 4.696 17.330 ( 0.000 -0.883 -4.838) 4.918 17.439 ( 0.000 1.025 2.186) 2.414 17.497 ( 0.000 1.129 -3.295) 3.483 18.089 ( 0.000 1.491 1.805) 2.341 18.122 ( 0.000 0.666 -1.332) 1.489 18.242 ( 0.000 -0.914 4.751) 4.838 18.336 ( 0.000 -1.528 -4.116) 4.390 20.282 ( 0.000 0.045 0.506) 0.508 20.294 ( 0.000 -0.005 -0.656) 0.656 20.465 ( 0.000 -1.143 2.388) 2.647 20.518 ( 0.000 -1.648 -2.524) 3.014 26.903 ( 0.000 -3.309 1.087) 3.483 26.927 ( 0.000 -3.603 -1.076) 3.761 26.948 ( 0.000 -3.349 1.387) 3.624 26.977 ( 0.000 -3.458 -1.343) 3.709 36.214 ( 0.000 -2.816 2.579) 3.819 36.265 ( 0.000 -3.600 -2.185) 4.211 36.816 ( 0.000 -23.460 8.692) 25.019 36.934 ( 0.000 -18.340 -3.411) 18.654 38.717 ( 0.000 10.796 1.287) 10.873 38.745 ( 0.000 10.362 -1.328) 10.447 38.877 ( 0.000 25.954 7.978) 27.153 39.135 ( 0.000 38.124 -18.596) 42.418 ======================= Grid point 162 (54/72) ======================= q-point: ( 0.17 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.563 5.371 14.105) 15.103 1.014 ( 1.296 1.025 -3.754) 4.101 1.160 ( 6.759 5.532 5.817) 10.494 1.354 ( 4.985 1.149 -7.903) 9.414 1.382 ( 1.638 21.177 1.062) 21.267 1.454 ( 2.617 19.908 -7.963) 21.601 1.675 ( 1.129 7.794 11.290) 13.765 1.814 ( -0.976 5.807 -1.353) 6.042 1.879 ( -2.302 18.390 0.198) 18.534 1.895 ( -1.894 13.319 -0.959) 13.487 2.109 ( -2.827 -0.717 5.244) 6.000 2.205 ( -3.310 -1.237 -3.675) 5.098 2.479 ( 3.307 6.564 0.252) 7.354 2.515 ( 2.409 4.334 -2.878) 5.733 2.743 ( -1.437 8.201 0.723) 8.357 2.748 ( -1.265 8.587 0.157) 8.681 2.975 ( -1.321 3.177 5.445) 6.441 3.057 ( -0.025 0.904 -2.219) 2.396 3.245 ( 2.944 1.529 3.740) 4.999 3.337 ( -1.540 -1.031 -5.162) 5.485 3.725 ( -2.265 -3.823 1.343) 4.643 3.741 ( -0.194 -3.667 0.407) 3.694 3.898 ( 0.823 -3.195 2.336) 4.042 3.981 ( 0.182 -4.089 -5.255) 6.661 4.688 ( 1.241 18.026 4.578) 18.640 4.708 ( 0.711 18.408 3.250) 18.706 4.767 ( 0.138 35.865 -3.034) 35.994 4.789 ( -0.045 22.685 -3.643) 22.976 4.971 ( -4.295 23.883 -0.923) 24.283 5.038 ( -1.546 12.191 -7.154) 14.220 5.089 ( -3.553 0.675 1.483) 3.909 5.169 ( -1.750 12.511 -6.980) 14.433 5.481 ( 1.490 -3.302 1.666) 3.988 5.528 ( 1.252 -2.895 -2.805) 4.221 5.680 ( -3.974 9.856 1.348) 10.712 5.729 ( -3.494 10.629 -3.235) 11.647 6.020 ( 4.607 3.931 -0.320) 6.065 6.032 ( 4.835 3.585 -1.712) 6.258 6.389 ( -1.105 5.284 5.544) 7.738 6.491 ( -1.500 3.879 -3.714) 5.575 7.233 ( 2.001 -4.209 12.662) 13.493 7.419 ( 0.897 -3.043 -2.848) 4.263 7.449 ( 0.230 -2.511 2.528) 3.571 7.534 ( -0.367 -0.498 -7.525) 7.550 8.095 ( 1.069 -6.671 8.847) 11.132 8.193 ( 0.272 -7.951 -1.913) 8.182 8.325 ( -1.604 -0.461 5.677) 5.917 8.496 ( -5.853 2.247 -8.347) 10.439 8.771 ( 0.875 4.334 1.869) 4.800 8.821 ( 0.409 3.788 -2.756) 4.703 9.668 ( -2.098 -3.228 2.371) 4.521 9.701 ( -2.065 -4.907 -0.419) 5.341 9.842 ( 0.198 6.080 1.835) 6.354 9.890 ( 0.307 5.172 -2.620) 5.806 10.097 ( -6.134 11.960 5.371) 14.475 10.221 ( -14.775 16.744 -5.741) 23.057 17.020 ( 0.313 4.901 0.946) 5.001 17.037 ( 0.159 5.698 -0.694) 5.742 17.082 ( -0.884 10.462 0.076) 10.500 17.087 ( -1.864 11.414 -0.367) 11.571 17.229 ( 1.269 0.127 5.273) 5.425 17.338 ( 0.535 -0.808 -4.132) 4.245 17.460 ( 1.741 1.285 2.836) 3.567 17.563 ( 3.131 -0.070 -6.819) 7.504 18.163 ( 6.910 0.327 3.575) 7.787 18.249 ( 11.145 -1.422 -4.880) 12.250 18.282 ( 3.637 -0.940 4.309) 5.716 18.373 ( 3.607 -1.704 -4.034) 5.673 20.307 ( 1.337 -0.121 -0.228) 1.361 20.312 ( 2.748 -0.729 -0.924) 2.989 20.473 ( 0.716 -1.310 2.080) 2.560 20.524 ( 0.538 -1.878 -2.672) 3.310 26.903 ( -0.012 -3.311 1.099) 3.488 26.926 ( -0.002 -3.597 -1.058) 3.749 26.941 ( -0.677 -3.328 1.274) 3.628 26.968 ( -0.836 -3.452 -1.244) 3.764 36.235 ( 2.131 -3.122 3.106) 4.892 36.294 ( 2.942 -4.002 -2.457) 5.542 36.748 ( -6.255 -19.092 9.220) 22.105 36.879 ( -5.353 -16.407 -4.029) 17.722 38.719 ( 0.250 11.235 1.386) 11.323 38.749 ( 0.496 11.080 -1.443) 11.184 38.850 ( -2.522 24.111 6.576) 25.119 39.046 ( -7.540 34.454 -13.086) 37.619 ======================= Grid point 163 (55/72) ======================= q-point: ( 0.33 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.621 5.635 7.339) 11.987 1.031 ( 1.118 2.717 -8.457) 8.953 1.292 ( 2.952 2.717 4.936) 6.361 1.367 ( -2.685 1.986 -3.500) 4.837 1.384 ( 1.837 19.838 4.186) 20.358 1.523 ( 2.794 18.949 -7.076) 20.419 1.735 ( -4.362 12.366 2.743) 13.396 1.770 ( 1.148 12.431 1.411) 12.563 1.835 ( 2.762 12.560 4.475) 13.617 1.914 ( 2.969 3.210 -1.243) 4.545 2.058 ( -2.228 -1.008 4.080) 4.756 2.135 ( -3.725 0.114 -3.134) 4.869 2.549 ( 3.306 8.593 0.079) 9.208 2.561 ( 2.149 6.584 -1.088) 7.011 2.711 ( -1.544 5.303 0.660) 5.562 2.717 ( -1.611 7.402 0.195) 7.578 2.971 ( 1.207 3.803 6.471) 7.602 3.058 ( -0.220 3.103 -1.328) 3.383 3.258 ( -2.311 -1.260 -1.408) 2.985 3.283 ( -2.849 0.748 -4.330) 5.237 3.699 ( 0.148 -4.617 4.015) 6.120 3.741 ( -0.293 -5.281 1.438) 5.481 3.921 ( 1.511 -2.523 -0.078) 2.942 3.976 ( -0.756 -3.431 -4.484) 5.697 4.712 ( 1.289 30.024 2.803) 30.182 4.739 ( 1.691 11.028 2.101) 11.353 4.776 ( 1.074 27.626 -2.019) 27.720 4.791 ( 0.268 26.153 -1.612) 26.204 4.885 ( -3.569 27.658 2.612) 28.009 4.983 ( -4.761 14.624 -0.189) 15.381 5.030 ( -0.801 -1.064 -6.442) 6.579 5.114 ( -3.491 7.448 -8.410) 11.764 5.512 ( 1.554 1.704 1.076) 2.545 5.549 ( 0.371 4.017 -2.363) 4.675 5.626 ( -1.223 -0.791 0.886) 1.705 5.663 ( -2.778 3.198 -2.717) 5.032 6.115 ( 4.718 4.333 0.775) 6.452 6.136 ( 5.155 1.857 -1.250) 5.620 6.357 ( -1.824 6.649 3.915) 7.929 6.437 ( -3.908 4.467 -3.221) 6.753 7.289 ( 3.512 -4.292 10.207) 11.616 7.412 ( -1.794 -4.547 1.842) 5.224 7.472 ( 1.934 -0.598 -1.047) 2.279 7.526 ( -0.538 0.461 -4.972) 5.022 8.132 ( 2.863 -5.007 7.268) 9.279 8.204 ( 0.845 -6.979 -1.227) 7.136 8.285 ( -2.318 -1.321 3.845) 4.680 8.357 ( -7.420 1.599 -0.164) 7.592 8.794 ( 1.296 3.433 1.233) 3.871 8.826 ( -0.049 3.103 -1.683) 3.530 9.615 ( -2.628 1.398 1.042) 3.154 9.645 ( -3.318 -0.597 -1.453) 3.671 9.850 ( 0.747 6.587 2.151) 6.969 9.900 ( 0.746 5.707 -2.425) 6.246 9.971 ( -6.723 13.298 1.514) 14.977 9.996 ( -6.022 12.001 -0.846) 13.454 17.026 ( 0.344 5.270 0.986) 5.372 17.039 ( -0.130 5.171 0.134) 5.174 17.061 ( -0.605 10.286 -0.115) 10.305 17.067 ( -0.591 9.659 -0.455) 9.688 17.270 ( 2.510 0.338 4.410) 5.086 17.341 ( -0.454 -0.527 -0.655) 0.955 17.495 ( 1.929 1.133 -0.171) 2.243 17.576 ( -1.223 0.099 -6.450) 6.566 18.308 ( 6.522 -0.988 5.384) 8.515 18.356 ( 3.253 -1.046 4.276) 5.474 18.440 ( 6.385 -3.053 -5.381) 8.891 18.467 ( 5.455 -3.036 -5.848) 8.554 20.342 ( 2.067 -0.401 0.647) 2.203 20.366 ( 2.059 -1.300 -1.454) 2.836 20.492 ( 1.237 -2.142 0.028) 2.474 20.531 ( -0.018 -2.468 -3.095) 3.959 26.904 ( 0.165 -3.310 1.124) 3.499 26.924 ( -0.689 -3.342 0.901) 3.529 26.929 ( 0.062 -3.552 -0.849) 3.652 26.950 ( -0.873 -3.513 -1.199) 3.813 36.295 ( 3.949 -4.143 4.393) 7.215 36.368 ( 3.775 -5.284 -1.996) 6.794 36.618 ( -5.577 -11.883 7.503) 15.120 36.745 ( -7.760 -12.241 -4.505) 15.177 38.728 ( 0.770 12.716 1.737) 12.857 38.767 ( 1.410 13.423 -1.855) 13.624 38.795 ( -2.679 19.960 4.132) 20.559 38.903 ( -6.257 26.008 -6.195) 27.458 ======================= Grid point 164 (56/72) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -5.753 4.795 -0.876) 7.541 0.998 ( 5.753 4.795 -0.876) 7.541 1.304 ( -2.297 0.729 -1.890) 3.063 1.304 ( 2.297 0.729 -1.890) 3.063 1.492 ( -5.860 19.837 3.836) 21.037 1.492 ( 5.860 19.837 3.836) 21.037 1.710 ( -2.930 16.185 -3.066) 16.732 1.710 ( 2.930 16.185 -3.066) 16.732 1.944 ( -2.037 0.796 1.924) 2.913 1.944 ( 2.037 0.796 1.924) 2.913 2.056 ( -3.419 1.795 1.929) 4.316 2.056 ( 3.419 1.795 1.929) 4.316 2.586 ( -0.093 9.050 -0.319) 9.056 2.586 ( 0.093 9.050 -0.319) 9.056 2.696 ( -0.284 5.015 0.390) 5.039 2.696 ( 0.284 5.015 0.390) 5.039 3.022 ( -3.351 3.753 4.191) 6.548 3.022 ( 3.352 3.753 4.191) 6.548 3.235 ( -1.392 -0.128 -5.383) 5.561 3.235 ( 1.392 -0.128 -5.383) 5.561 3.721 ( -1.511 -5.443 4.058) 6.955 3.721 ( 1.511 -5.443 4.058) 6.955 3.952 ( -1.554 -2.772 -2.921) 4.316 3.952 ( 1.554 -2.772 -2.921) 4.316 4.740 ( -1.256 26.127 1.146) 26.182 4.740 ( 1.256 26.127 1.146) 26.182 4.793 ( -0.464 26.579 -0.899) 26.598 4.793 ( 0.464 26.579 -0.899) 26.598 4.888 ( -4.024 14.583 3.847) 15.609 4.888 ( 4.024 14.583 3.847) 15.609 5.051 ( -2.543 3.936 -9.459) 10.556 5.051 ( 2.543 3.936 -9.459) 10.556 5.539 ( -1.109 7.751 -0.509) 7.847 5.539 ( 1.109 7.751 -0.509) 7.847 5.627 ( -1.004 -4.406 -1.055) 4.640 5.627 ( 1.004 -4.406 -1.055) 4.640 6.184 ( -1.328 1.089 1.265) 2.133 6.184 ( 1.328 1.089 1.265) 2.133 6.359 ( -2.967 7.182 -1.074) 7.845 6.359 ( 2.967 7.182 -1.074) 7.845 7.359 ( -3.422 -4.416 6.499) 8.571 7.359 ( 3.422 -4.416 6.499) 8.571 7.507 ( -1.423 0.282 -3.114) 3.435 7.507 ( 1.423 0.282 -3.114) 3.435 8.203 ( -3.212 -5.353 2.548) 6.742 8.203 ( 3.212 -5.353 2.548) 6.742 8.254 ( -1.137 -0.305 3.430) 3.626 8.254 ( 1.137 -0.305 3.430) 3.626 8.816 ( -0.896 2.856 -0.071) 2.994 8.816 ( 0.896 2.856 -0.071) 2.994 9.596 ( -1.058 3.578 -1.330) 3.961 9.596 ( 1.058 3.578 -1.330) 3.961 9.879 ( -2.435 8.700 2.296) 9.322 9.879 ( 2.435 8.700 2.296) 9.322 9.929 ( -1.949 7.888 -2.218) 8.423 9.929 ( 1.949 7.888 -2.218) 8.423 17.033 ( -0.347 5.432 0.921) 5.521 17.033 ( 0.347 5.432 0.921) 5.521 17.059 ( -0.230 9.463 -0.633) 9.487 17.059 ( 0.230 9.463 -0.633) 9.487 17.316 ( -2.033 -0.012 2.835) 3.489 17.316 ( 2.033 -0.012 2.835) 3.489 17.538 ( -2.330 0.646 -4.189) 4.837 17.538 ( 2.330 0.646 -4.189) 4.837 18.383 ( -1.000 -1.150 4.824) 5.059 18.383 ( 1.000 -1.150 4.824) 5.059 18.514 ( -1.090 -3.439 -5.137) 6.277 18.514 ( 1.090 -3.439 -5.137) 6.277 20.376 ( -0.995 -0.747 0.591) 1.378 20.376 ( 0.995 -0.747 0.591) 1.378 20.519 ( -1.237 -2.896 -2.854) 4.250 20.519 ( 1.237 -2.896 -2.854) 4.250 26.911 ( -0.525 -3.300 1.146) 3.533 26.911 ( 0.525 -3.300 1.146) 3.533 26.936 ( -0.544 -3.579 -1.198) 3.813 26.936 ( 0.544 -3.579 -1.198) 3.813 36.376 ( -3.410 -5.863 4.237) 7.997 36.376 ( 3.410 -5.863 4.237) 7.997 36.608 ( -5.016 -9.074 -1.779) 10.520 36.608 ( 5.016 -9.074 -1.779) 10.520 38.751 ( -1.686 15.535 2.529) 15.829 38.751 ( 1.686 15.535 2.529) 15.829 38.811 ( -3.292 18.444 -3.051) 18.982 38.811 ( 3.292 18.444 -3.051) 18.982 ======================= Grid point 168 (57/72) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 7.411 6.898) 10.125 1.036 ( 0.000 9.129 4.162) 10.033 1.150 ( 0.000 5.621 1.739) 5.883 1.365 ( 0.000 7.432 -12.915) 14.901 1.672 ( 0.000 7.488 0.948) 7.548 1.678 ( 0.000 6.817 0.145) 6.818 1.992 ( 0.000 9.772 1.291) 9.857 2.020 ( 0.000 13.947 -1.199) 13.998 2.151 ( 0.000 12.338 7.394) 14.384 2.245 ( 0.000 7.350 -1.759) 7.558 2.297 ( 0.000 17.197 2.795) 17.423 2.333 ( 0.000 19.834 -0.145) 19.834 2.551 ( 0.000 4.116 -1.924) 4.544 2.553 ( 0.000 5.465 -2.424) 5.978 2.919 ( 0.000 7.001 3.345) 7.759 2.955 ( 0.000 5.867 0.974) 5.947 3.021 ( 0.000 -2.164 2.435) 3.257 3.070 ( 0.000 4.501 -3.125) 5.479 3.313 ( 0.000 7.699 2.938) 8.241 3.378 ( 0.000 4.543 -3.375) 5.660 3.692 ( 0.000 -2.285 0.926) 2.466 3.701 ( 0.000 -2.234 -0.427) 2.275 3.817 ( 0.000 -4.039 2.365) 4.681 3.894 ( 0.000 -4.467 -4.962) 6.677 4.629 ( 0.000 -5.564 6.381) 8.467 4.748 ( 0.000 -10.724 3.682) 11.338 4.770 ( 0.000 -8.700 -6.779) 11.029 4.830 ( 0.000 -11.513 -3.962) 12.175 5.377 ( 0.000 -1.199 0.643) 1.360 5.410 ( 0.000 1.022 -2.681) 2.869 5.590 ( 0.000 29.489 1.507) 29.528 5.622 ( 0.000 21.272 -1.472) 21.323 5.689 ( 0.000 25.823 -1.098) 25.846 5.720 ( 0.000 25.203 -4.101) 25.534 5.955 ( 0.000 -1.859 0.443) 1.911 5.991 ( 0.000 2.532 -2.843) 3.807 6.180 ( 0.000 26.583 0.552) 26.589 6.205 ( 0.000 21.636 -2.608) 21.793 6.567 ( 0.000 12.649 2.591) 12.912 6.610 ( 0.000 8.681 -0.762) 8.715 7.144 ( 0.000 -1.719 11.010) 11.143 7.336 ( 0.000 -3.930 -6.660) 7.734 7.362 ( 0.000 -5.359 6.576) 8.483 7.494 ( 0.000 -3.798 -7.002) 7.965 7.967 ( 0.000 -3.892 6.084) 7.222 8.047 ( 0.000 -5.618 -2.323) 6.079 8.303 ( 0.000 -2.947 10.152) 10.571 8.549 ( 0.000 -2.209 -11.526) 11.735 8.906 ( 0.000 9.313 -0.082) 9.313 8.945 ( 0.000 9.309 -2.956) 9.767 9.681 ( 0.000 1.218 1.854) 2.219 9.702 ( 0.000 4.621 -0.520) 4.650 10.033 ( 0.000 13.869 -0.152) 13.870 10.049 ( 0.000 11.963 -1.546) 12.062 10.395 ( 0.000 12.929 10.316) 16.540 10.663 ( 0.000 12.331 -15.251) 19.612 17.104 ( 0.000 3.319 1.467) 3.629 17.139 ( 0.000 3.290 -1.774) 3.737 17.209 ( 0.000 0.185 4.079) 4.084 17.292 ( 0.000 2.112 -3.123) 3.770 17.352 ( 0.000 7.904 -0.434) 7.916 17.361 ( 0.000 9.683 -0.963) 9.731 17.499 ( 0.000 5.526 1.642) 5.764 17.550 ( 0.000 4.211 -3.362) 5.388 18.148 ( 0.000 4.654 1.376) 4.854 18.159 ( 0.000 3.655 0.040) 3.655 18.243 ( 0.000 2.007 3.777) 4.277 18.317 ( 0.000 0.439 -3.193) 3.223 20.284 ( 0.000 0.236 0.478) 0.533 20.296 ( 0.000 0.194 -0.589) 0.621 20.436 ( 0.000 -1.754 1.857) 2.555 20.476 ( 0.000 -2.452 -1.900) 3.102 26.815 ( 0.000 -5.415 0.902) 5.490 26.833 ( 0.000 -5.721 -0.695) 5.763 26.859 ( 0.000 -5.497 1.176) 5.621 26.885 ( 0.000 -5.746 -1.231) 5.877 36.144 ( 0.000 -4.090 1.603) 4.393 36.175 ( 0.000 -5.279 -1.290) 5.435 36.443 ( 0.000 -15.085 8.311) 17.223 36.583 ( 0.000 -16.401 -5.193) 17.204 38.987 ( 0.000 15.779 0.770) 15.797 39.003 ( 0.000 15.115 -0.825) 15.137 39.387 ( 0.000 24.126 12.784) 27.303 39.741 ( 0.000 22.987 -21.468) 31.453 ======================= Grid point 169 (58/72) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 1.651 11.624 6.773) 13.554 1.076 ( 2.072 6.108 -5.042) 8.187 1.237 ( 7.829 6.077 7.110) 12.197 1.424 ( 4.109 5.856 -9.495) 11.888 1.647 ( -1.497 8.075 2.991) 8.741 1.695 ( 1.531 6.505 -1.947) 6.960 1.981 ( -1.596 9.551 2.523) 10.006 2.027 ( -0.140 9.753 -1.697) 9.900 2.110 ( -2.820 11.534 5.513) 13.091 2.190 ( -4.003 12.336 -0.847) 12.997 2.277 ( -1.831 14.828 0.873) 14.966 2.312 ( -1.880 21.069 -0.674) 21.164 2.587 ( 3.873 4.368 -0.004) 5.838 2.606 ( 3.698 4.861 -1.912) 6.400 2.871 ( -3.764 4.804 2.901) 6.758 2.909 ( -3.215 4.296 0.340) 5.377 3.058 ( 1.457 5.007 1.535) 5.436 3.093 ( 2.729 2.708 -2.080) 4.371 3.323 ( -0.364 5.896 2.774) 6.527 3.376 ( -0.249 5.487 -2.498) 6.034 3.659 ( -2.801 -3.130 1.412) 4.431 3.684 ( -0.989 -2.271 -0.405) 2.510 3.834 ( 1.496 -3.538 1.848) 4.263 3.906 ( 0.779 -3.996 -4.669) 6.195 4.630 ( 0.125 -6.183 5.926) 8.565 4.727 ( -1.798 -10.749 2.300) 11.138 4.770 ( -0.115 -8.470 -5.132) 9.904 4.816 ( -1.301 -10.826 -3.967) 11.603 5.389 ( 1.193 -0.018 0.516) 1.300 5.419 ( 0.934 2.332 -2.541) 3.573 5.585 ( -0.593 25.183 1.214) 25.219 5.612 ( -1.138 16.965 -1.206) 17.046 5.694 ( 0.525 28.287 -1.174) 28.316 5.720 ( 0.092 26.180 -3.919) 26.471 5.917 ( -3.452 5.610 -0.076) 6.588 5.945 ( -3.908 8.830 -2.615) 10.004 6.194 ( 1.204 19.414 0.654) 19.463 6.223 ( 1.410 17.696 -2.419) 17.916 6.559 ( -0.706 12.583 2.770) 12.903 6.602 ( -0.917 9.219 -0.750) 9.295 7.159 ( 1.663 -2.170 10.791) 11.132 7.336 ( -0.221 -4.627 -1.421) 4.845 7.378 ( 1.718 -4.520 1.434) 5.044 7.496 ( 0.150 -3.682 -6.577) 7.539 7.987 ( 2.016 -3.542 5.136) 6.557 8.054 ( 0.747 -5.419 -1.983) 5.818 8.289 ( -1.315 -2.398 9.392) 9.782 8.503 ( -4.494 -1.075 -9.599) 10.654 8.906 ( 0.099 9.228 0.333) 9.235 8.943 ( -0.212 9.005 -2.679) 9.397 9.678 ( -0.248 1.933 1.486) 2.451 9.700 ( -0.236 4.772 -0.853) 4.853 10.036 ( 0.359 13.992 0.207) 13.998 10.055 ( 0.638 12.158 -1.530) 12.270 10.341 ( -4.938 13.829 7.713) 16.587 10.534 ( -11.375 15.359 -10.448) 21.782 17.112 ( 0.753 3.666 1.506) 4.034 17.140 ( 0.088 3.682 -0.747) 3.758 17.223 ( 1.320 0.566 3.464) 3.750 17.303 ( 0.816 2.906 -3.361) 4.517 17.327 ( -1.468 11.425 0.498) 11.530 17.351 ( -0.852 8.168 -1.385) 8.328 17.506 ( 0.797 3.566 2.345) 4.342 17.579 ( 1.470 1.824 -4.665) 5.221 18.194 ( 4.977 3.364 3.016) 6.722 18.250 ( 7.514 1.920 -2.412) 8.122 18.280 ( 3.365 1.720 3.610) 5.226 18.350 ( 3.143 0.151 -2.988) 4.339 20.301 ( 1.644 -0.313 0.020) 1.674 20.306 ( 1.064 0.063 -0.423) 1.147 20.440 ( 0.327 -1.903 1.618) 2.520 20.478 ( 0.078 -2.658 -1.892) 3.264 26.815 ( -0.002 -5.403 0.899) 5.478 26.833 ( 0.009 -5.715 -0.707) 5.758 26.852 ( -0.624 -5.449 1.087) 5.592 26.876 ( -0.802 -5.681 -1.117) 5.845 36.158 ( 1.423 -4.446 2.017) 5.085 36.196 ( 2.048 -5.719 -1.467) 6.249 36.423 ( -1.907 -13.870 7.742) 15.998 36.557 ( -2.644 -15.418 -5.055) 16.440 38.997 ( 1.180 16.166 1.144) 16.249 39.023 ( 2.032 15.824 -1.252) 16.003 39.338 ( -4.635 23.731 11.034) 26.578 39.634 ( -9.809 23.872 -17.430) 31.143 ======================= Grid point 170 (59/72) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 6.907 12.109 4.338) 14.599 1.138 ( 3.923 8.423 -5.630) 10.864 1.344 ( 1.559 5.068 4.504) 6.957 1.448 ( -2.384 6.528 -4.894) 8.500 1.660 ( 3.941 8.345 4.930) 10.462 1.751 ( 3.850 4.380 -3.604) 6.856 1.911 ( -4.882 6.323 3.859) 8.872 1.972 ( -4.791 2.240 -1.198) 5.423 2.104 ( 1.337 15.819 1.822) 15.979 2.143 ( -0.362 17.788 0.302) 17.794 2.248 ( -1.020 13.252 -0.523) 13.301 2.269 ( -2.177 19.256 -0.952) 19.402 2.665 ( 3.580 4.217 0.764) 5.585 2.687 ( 4.586 5.040 -1.162) 6.912 2.801 ( -3.245 4.030 2.561) 5.773 2.847 ( -3.057 4.518 -1.257) 5.598 3.083 ( 1.686 6.744 3.776) 7.911 3.157 ( 3.262 4.888 -2.663) 6.452 3.264 ( -4.700 3.253 2.967) 6.440 3.349 ( -3.417 5.126 -4.346) 7.539 3.628 ( 0.316 -2.684 4.013) 4.838 3.670 ( -0.586 -2.293 0.970) 2.558 3.867 ( 1.773 -3.020 -0.263) 3.512 3.913 ( -0.198 -3.342 -3.985) 5.205 4.636 ( 0.587 -7.963 4.783) 9.308 4.688 ( -2.016 -10.713 2.504) 11.185 4.767 ( -0.099 -8.080 -4.483) 9.241 4.788 ( -1.281 -9.359 -4.080) 10.289 5.423 ( 2.163 4.725 0.135) 5.198 5.446 ( 1.707 7.971 -2.314) 8.474 5.560 ( -2.033 9.438 0.355) 9.661 5.576 ( -2.400 9.504 -0.905) 9.844 5.714 ( 1.604 31.720 -1.305) 31.788 5.730 ( 0.966 29.482 -3.240) 29.676 5.846 ( -3.266 17.248 -0.416) 17.559 5.865 ( -3.837 17.024 -2.149) 17.582 6.219 ( 1.221 11.001 0.553) 11.082 6.243 ( 0.440 11.400 -1.817) 11.553 6.546 ( -0.454 12.876 2.285) 13.085 6.574 ( -1.684 10.756 -0.104) 10.888 7.208 ( 3.194 -3.031 9.840) 10.780 7.319 ( -1.595 -4.555 4.424) 6.547 7.423 ( 2.652 -4.065 -3.492) 5.980 7.495 ( -0.512 -3.632 -5.894) 6.942 8.041 ( 3.144 -3.496 2.461) 5.307 8.074 ( 1.119 -5.135 -1.072) 5.364 8.262 ( -0.979 -0.544 7.322) 7.407 8.390 ( -6.534 1.319 -4.031) 7.790 8.912 ( 0.475 8.820 0.344) 8.840 8.936 ( -0.549 8.557 -1.779) 8.757 9.676 ( 0.125 3.489 0.286) 3.503 9.693 ( -0.461 5.068 -1.397) 5.277 10.055 ( 1.863 14.630 0.845) 14.772 10.077 ( 1.713 12.815 -1.217) 12.987 10.232 ( -5.493 14.930 2.985) 16.186 10.304 ( -10.583 17.917 -3.606) 21.119 17.127 ( 0.716 4.316 1.568) 4.647 17.141 ( -0.018 4.382 0.721) 4.441 17.253 ( 1.604 2.341 1.840) 3.382 17.296 ( -0.911 9.485 -1.476) 9.642 17.324 ( 0.343 9.225 0.031) 9.231 17.339 ( -0.339 4.248 -1.035) 4.386 17.526 ( 1.280 1.889 0.731) 2.396 17.583 ( -0.883 0.665 -4.336) 4.475 18.306 ( 5.392 1.463 4.083) 6.920 18.348 ( 3.010 0.819 3.474) 4.669 18.393 ( 5.755 -0.609 -3.646) 6.840 18.424 ( 3.743 -0.688 -3.205) 4.975 20.334 ( 1.709 -0.311 0.069) 1.739 20.341 ( 2.078 -1.051 -0.553) 2.393 20.445 ( 0.128 -2.452 0.706) 2.555 20.473 ( -0.647 -3.134 -1.883) 3.713 26.817 ( 0.186 -5.375 0.897) 5.452 26.834 ( -0.030 -5.632 -0.320) 5.641 26.839 ( -0.550 -5.435 0.513) 5.487 26.858 ( -0.927 -5.626 -0.950) 5.780 36.197 ( 2.445 -5.518 3.017) 6.747 36.243 ( 2.162 -6.911 -0.734) 7.279 36.383 ( -1.372 -11.315 4.901) 12.407 36.487 ( -4.250 -13.041 -4.361) 14.392 39.036 ( 2.828 17.473 2.211) 17.838 39.085 ( 4.393 17.741 -2.408) 18.435 39.230 ( -5.773 22.367 7.260) 24.214 39.415 ( -11.381 23.717 -10.281) 28.244 ======================= Grid point 171 (60/72) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -4.330 10.670 0.775) 11.542 1.152 ( 4.330 10.670 0.775) 11.542 1.370 ( -3.724 6.455 -1.796) 7.666 1.370 ( 3.724 6.455 -1.796) 7.666 1.762 ( -4.620 7.151 2.590) 8.899 1.762 ( 4.620 7.151 2.590) 8.899 1.880 ( -3.550 1.979 -0.686) 4.122 1.880 ( 3.550 1.979 -0.686) 4.122 2.135 ( -1.264 17.533 1.569) 17.649 2.135 ( 1.264 17.533 1.569) 17.649 2.241 ( -0.508 14.764 -1.470) 14.845 2.241 ( 0.508 14.764 -1.470) 14.845 2.726 ( -2.429 4.867 1.339) 5.601 2.726 ( 2.429 4.867 1.339) 5.601 2.786 ( -3.128 4.225 -1.197) 5.392 2.786 ( 3.128 4.225 -1.197) 5.392 3.141 ( -4.202 7.169 5.004) 9.700 3.141 ( 4.202 7.169 5.004) 9.700 3.261 ( -4.519 2.584 -4.984) 7.207 3.261 ( 4.519 2.584 -4.984) 7.207 3.652 ( -1.374 -1.967 3.481) 4.228 3.652 ( 1.374 -1.967 3.481) 4.228 3.898 ( -1.270 -2.967 -2.585) 4.135 3.898 ( 1.270 -2.967 -2.585) 4.135 4.655 ( -1.345 -9.873 3.474) 10.553 4.655 ( 1.345 -9.873 3.474) 10.553 4.771 ( -0.524 -8.267 -4.214) 9.294 4.771 ( 0.524 -8.267 -4.214) 9.294 5.463 ( -1.079 14.891 -1.089) 14.970 5.463 ( 1.079 14.891 -1.089) 14.970 5.534 ( -0.851 -1.818 -0.655) 2.112 5.534 ( 0.851 -1.818 -0.655) 2.112 5.744 ( -0.527 32.445 -2.065) 32.515 5.744 ( 0.527 32.445 -2.065) 32.515 5.813 ( -0.718 20.689 -1.029) 20.727 5.813 ( 0.718 20.689 -1.029) 20.727 6.239 ( -0.745 8.031 -0.539) 8.084 6.239 ( 0.745 8.031 -0.539) 8.084 6.548 ( -0.799 12.551 1.063) 12.621 6.548 ( 0.799 12.551 1.063) 12.621 7.273 ( -3.079 -3.862 7.878) 9.298 7.273 ( 3.079 -3.862 7.878) 9.298 7.471 ( -1.967 -3.840 -5.253) 6.797 7.471 ( 1.967 -3.840 -5.253) 6.797 8.084 ( -0.668 -4.920 -0.033) 4.966 8.084 ( 0.668 -4.920 -0.033) 4.966 8.281 ( -3.639 2.128 2.885) 5.108 8.281 ( 3.639 2.128 2.885) 5.108 8.923 ( -0.676 8.474 -0.565) 8.519 8.923 ( 0.676 8.474 -0.565) 8.519 9.683 ( -0.528 4.761 -1.080) 4.910 9.683 ( 0.528 4.761 -1.080) 4.910 10.105 ( -1.375 14.448 0.633) 14.527 10.105 ( 1.375 14.448 0.633) 14.527 10.165 ( -1.684 16.294 -0.693) 16.395 10.165 ( 1.684 16.294 -0.693) 16.395 17.138 ( -0.330 4.661 1.437) 4.889 17.138 ( 0.330 4.661 1.437) 4.889 17.279 ( -0.987 6.966 -0.383) 7.046 17.279 ( 0.987 6.966 -0.383) 7.046 17.331 ( -0.474 5.867 0.345) 5.896 17.331 ( 0.474 5.867 0.345) 5.896 17.556 ( -1.660 1.079 -2.316) 3.047 17.556 ( 1.660 1.079 -2.316) 3.047 18.372 ( -0.995 0.682 3.916) 4.098 18.372 ( 0.995 0.682 3.916) 4.098 18.458 ( -0.792 -1.350 -3.479) 3.815 18.458 ( 0.792 -1.350 -3.479) 3.815 20.360 ( -0.471 -0.716 0.168) 0.873 20.360 ( 0.471 -0.716 0.168) 0.873 20.454 ( -1.014 -3.303 -1.220) 3.665 20.454 ( 1.014 -3.303 -1.220) 3.665 26.824 ( -0.531 -5.357 0.904) 5.459 26.824 ( 0.531 -5.357 0.904) 5.459 26.843 ( -0.588 -5.648 -0.848) 5.742 26.843 ( 0.588 -5.648 -0.848) 5.742 36.244 ( -1.961 -7.039 3.216) 7.983 36.244 ( 1.961 -7.039 3.216) 7.983 36.406 ( -3.521 -10.720 -1.913) 11.444 36.406 ( 3.521 -10.720 -1.913) 11.444 39.107 ( -4.189 19.346 3.648) 20.128 39.107 ( 4.189 19.346 3.648) 20.128 39.224 ( -7.595 21.442 -4.661) 23.220 39.224 ( 7.595 21.442 -4.661) 23.220 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 15.528 -0.561) 15.538 1.224 ( 0.000 11.373 -4.018) 12.062 1.348 ( 0.000 11.996 6.905) 13.841 1.518 ( 0.000 7.562 -8.728) 11.549 1.818 ( 0.000 8.318 2.896) 8.808 1.835 ( 0.000 9.427 1.296) 9.516 2.124 ( 0.000 5.729 2.924) 6.432 2.151 ( 0.000 6.056 1.096) 6.154 2.361 ( 0.000 8.253 0.127) 8.254 2.385 ( 0.000 7.254 -1.829) 7.481 2.613 ( 0.000 3.048 0.441) 3.080 2.654 ( 0.000 4.740 -2.726) 5.468 2.688 ( 0.000 13.096 3.401) 13.530 2.713 ( 0.000 14.613 0.763) 14.633 2.947 ( 0.000 -2.862 0.698) 2.946 2.962 ( 0.000 2.440 0.271) 2.455 3.057 ( 0.000 3.183 5.030) 5.953 3.184 ( 0.000 4.897 -6.396) 8.055 3.452 ( 0.000 5.645 1.696) 5.894 3.479 ( 0.000 3.939 -0.596) 3.983 3.664 ( 0.000 -0.340 0.576) 0.669 3.671 ( 0.000 -0.858 -0.016) 0.858 3.732 ( 0.000 -4.494 2.125) 4.971 3.800 ( 0.000 -5.016 -4.036) 6.438 4.502 ( 0.000 -6.780 3.748) 7.747 4.560 ( 0.000 -7.830 3.457) 8.559 4.581 ( 0.000 -9.638 -3.415) 10.225 4.630 ( 0.000 -8.633 -3.389) 9.274 5.377 ( 0.000 1.597 1.188) 1.990 5.434 ( 0.000 2.433 -4.377) 5.008 5.769 ( 0.000 3.418 1.835) 3.880 5.830 ( 0.000 1.991 -3.593) 4.108 5.907 ( 0.000 -0.850 1.862) 2.047 5.943 ( 0.000 -1.640 -1.242) 2.057 6.130 ( 0.000 9.150 -3.083) 9.655 6.136 ( 0.000 8.023 -3.923) 8.931 6.563 ( 0.000 15.303 0.297) 15.306 6.564 ( 0.000 14.221 0.185) 14.223 6.777 ( 0.000 6.458 5.710) 8.620 6.865 ( 0.000 12.354 -1.726) 12.474 7.179 ( 0.000 4.100 6.368) 7.574 7.261 ( 0.000 -4.783 6.353) 7.952 7.279 ( 0.000 -2.206 -3.340) 4.002 7.385 ( 0.000 -7.172 -5.734) 9.183 7.966 ( 0.000 4.276 3.551) 5.558 7.996 ( 0.000 0.690 -0.389) 0.792 8.254 ( 0.000 -1.776 9.823) 9.982 8.492 ( 0.000 -3.384 -10.799) 11.317 9.116 ( 0.000 11.878 0.591) 11.893 9.171 ( 0.000 13.150 -4.161) 13.793 9.722 ( 0.000 2.083 4.856) 5.284 9.806 ( 0.000 4.623 -3.422) 5.752 10.360 ( 0.000 19.571 0.104) 19.572 10.374 ( 0.000 20.481 -1.216) 20.517 10.681 ( 0.000 15.694 8.675) 17.932 10.894 ( 0.000 11.075 -11.331) 15.844 17.144 ( 0.000 1.424 0.681) 1.579 17.164 ( 0.000 0.235 -1.129) 1.153 17.209 ( 0.000 -0.272 3.463) 3.473 17.282 ( 0.000 -1.224 -3.402) 3.616 17.480 ( 0.000 2.728 -0.267) 2.741 17.482 ( 0.000 3.536 -0.447) 3.564 17.606 ( 0.000 3.817 0.310) 3.829 17.628 ( 0.000 2.726 -1.956) 3.355 18.266 ( 0.000 7.473 1.652) 7.653 18.275 ( 0.000 7.847 0.680) 7.876 18.344 ( 0.000 7.573 1.935) 7.816 18.377 ( 0.000 5.572 -1.295) 5.721 20.292 ( 0.000 0.550 0.460) 0.717 20.303 ( 0.000 0.532 -0.559) 0.772 20.401 ( 0.000 -1.758 1.300) 2.187 20.428 ( 0.000 -2.355 -1.250) 2.666 26.707 ( 0.000 -5.375 0.639) 5.413 26.718 ( 0.000 -5.669 -0.422) 5.684 26.746 ( 0.000 -5.753 0.888) 5.821 26.766 ( 0.000 -6.138 -0.944) 6.210 36.067 ( 0.000 -3.442 0.447) 3.471 36.074 ( 0.000 -4.674 -0.191) 4.678 36.207 ( 0.000 -9.519 5.473) 10.980 36.311 ( 0.000 -11.570 -4.285) 12.338 39.289 ( 0.000 14.315 0.365) 14.320 39.293 ( 0.000 13.723 -0.083) 13.723 39.783 ( 0.000 16.383 10.757) 19.599 40.057 ( 0.000 10.471 -15.116) 18.388 ======================= Grid point 176 (62/72) ======================= q-point: ( 0.17 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 3.008 15.720 -0.153) 16.006 1.258 ( 3.555 12.229 -4.311) 13.445 1.401 ( 4.582 9.787 6.667) 12.698 1.555 ( 3.051 6.719 -7.519) 10.535 1.819 ( 0.181 9.417 3.010) 9.888 1.841 ( 0.460 9.240 1.052) 9.311 2.085 ( -3.888 4.324 2.885) 6.491 2.119 ( -3.448 5.800 0.338) 6.756 2.353 ( 0.160 9.930 -0.163) 9.933 2.377 ( -0.236 8.165 -2.285) 8.482 2.613 ( -4.333 6.245 4.331) 8.749 2.644 ( 0.809 9.912 0.977) 9.993 2.693 ( 1.283 5.648 -1.965) 6.116 2.700 ( 0.208 9.508 -1.845) 9.687 2.915 ( -1.840 1.746 2.444) 3.523 2.951 ( -1.183 3.481 0.083) 3.678 3.115 ( 4.275 1.203 2.058) 4.895 3.185 ( 0.186 4.534 -4.196) 6.180 3.445 ( -1.768 5.401 2.367) 6.156 3.485 ( -0.238 3.641 -1.030) 3.792 3.608 ( -3.032 -1.667 2.274) 4.141 3.656 ( -1.066 -0.616 -1.698) 2.098 3.763 ( 2.195 -3.422 1.876) 4.477 3.822 ( 1.530 -4.507 -3.444) 5.875 4.498 ( -0.428 -6.692 3.473) 7.552 4.541 ( -1.544 -7.743 2.019) 8.150 4.589 ( 0.460 -9.228 -2.062) 9.467 4.625 ( -0.473 -8.424 -3.286) 9.055 5.390 ( 1.407 1.414 1.243) 2.350 5.446 ( 1.341 2.299 -4.291) 5.050 5.729 ( -3.748 2.608 1.647) 4.854 5.791 ( -3.707 1.977 -4.030) 5.821 5.926 ( 1.717 -0.534 1.663) 2.449 5.955 ( 0.991 -0.271 -0.966) 1.411 6.120 ( -0.933 8.183 -2.486) 8.603 6.131 ( -0.601 7.555 -3.626) 8.402 6.560 ( -0.234 15.223 0.283) 15.227 6.563 ( -0.094 14.997 0.070) 14.998 6.779 ( 0.178 7.294 5.435) 9.098 6.859 ( -0.802 12.228 -1.289) 12.322 7.180 ( 0.207 3.306 6.402) 7.208 7.254 ( -0.373 -4.014 4.021) 5.694 7.298 ( 1.640 -3.462 -1.556) 4.134 7.389 ( 0.291 -7.141 -5.421) 8.970 7.989 ( 2.170 4.207 2.373) 5.295 8.008 ( 1.155 0.947 -0.198) 1.506 8.252 ( -0.106 -1.326 9.556) 9.648 8.467 ( -2.572 -2.569 -9.287) 9.973 9.119 ( 0.330 12.200 0.605) 12.219 9.169 ( -0.271 13.434 -3.796) 13.963 9.724 ( 0.204 1.969 4.070) 4.525 9.800 ( -0.606 4.196 -3.420) 5.447 10.369 ( 0.921 19.612 0.171) 19.634 10.381 ( 0.831 20.679 -0.968) 20.718 10.644 ( -3.503 16.515 7.185) 18.348 10.820 ( -6.973 13.501 -9.228) 17.778 17.157 ( 1.136 1.436 0.976) 2.075 17.177 ( 1.111 0.697 -0.485) 1.398 17.222 ( 1.274 -0.414 2.827) 3.129 17.295 ( 0.988 -1.249 -3.543) 3.885 17.487 ( 0.674 3.563 -0.019) 3.626 17.491 ( 0.976 3.813 -0.660) 3.991 17.592 ( -1.207 4.197 0.676) 4.419 17.623 ( -0.609 2.209 -2.379) 3.303 18.299 ( 3.420 7.166 2.182) 8.235 18.322 ( 3.955 5.824 0.335) 7.048 18.376 ( 3.052 7.117 1.302) 7.852 18.403 ( 2.510 5.232 -1.089) 5.905 20.301 ( 0.957 0.305 0.376) 1.072 20.311 ( 0.813 0.416 -0.535) 1.059 20.403 ( 0.133 -1.810 1.105) 2.125 20.427 ( -0.148 -2.392 -1.166) 2.665 26.706 ( 0.017 -5.371 0.632) 5.408 26.718 ( 0.022 -5.666 -0.435) 5.682 26.741 ( -0.518 -5.681 0.828) 5.765 26.759 ( -0.657 -6.031 -0.858) 6.127 36.075 ( 0.769 -3.746 0.775) 3.902 36.088 ( 1.297 -4.996 -0.355) 5.174 36.201 ( -0.591 -9.125 5.000) 10.421 36.297 ( -1.346 -11.117 -4.042) 11.906 39.305 ( 1.844 14.481 0.932) 14.628 39.323 ( 2.953 14.060 -0.778) 14.387 39.733 ( -4.810 16.534 9.613) 19.721 39.975 ( -7.870 11.755 -13.182) 19.336 ======================= Grid point 177 (63/72) ======================= q-point: ( 0.33 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 5.285 14.327 1.334) 15.329 1.355 ( 5.595 13.511 -3.944) 15.146 1.479 ( 2.428 7.879 5.526) 9.925 1.594 ( -0.157 7.351 -4.829) 8.797 1.835 ( 1.889 9.306 2.288) 9.768 1.858 ( 1.657 8.400 0.373) 8.570 1.996 ( -4.573 4.482 1.615) 6.604 2.022 ( -5.858 4.623 -0.598) 7.487 2.376 ( 2.042 10.852 0.605) 11.059 2.404 ( 2.886 9.178 -1.958) 9.818 2.514 ( -4.708 9.227 3.813) 11.038 2.587 ( -5.230 9.814 -2.991) 11.516 2.739 ( 4.198 4.109 0.925) 5.946 2.765 ( 3.672 3.908 -1.666) 5.615 2.883 ( -1.754 5.555 2.381) 6.293 2.917 ( -2.310 4.113 -0.519) 4.746 3.199 ( 1.541 4.236 -0.482) 4.533 3.199 ( 4.461 0.424 -0.555) 4.515 3.366 ( -5.666 4.700 2.805) 7.878 3.418 ( -5.885 0.678 -1.985) 6.248 3.608 ( 2.135 0.698 3.340) 4.025 3.651 ( 0.215 0.331 -0.171) 0.430 3.804 ( 1.927 -3.341 0.231) 3.864 3.842 ( 0.351 -3.955 -2.812) 4.865 4.489 ( -0.379 -6.540 2.817) 7.131 4.509 ( -1.490 -7.125 1.818) 7.503 4.597 ( 0.396 -8.759 -2.054) 9.005 4.615 ( -0.535 -8.178 -2.961) 8.714 5.434 ( 3.059 0.979 1.284) 3.459 5.486 ( 2.563 1.642 -3.854) 4.911 5.642 ( -4.489 2.447 1.037) 5.217 5.701 ( -5.143 2.293 -4.382) 7.135 5.964 ( 1.911 0.134 0.703) 2.041 5.977 ( 1.211 0.914 -0.727) 1.682 6.098 ( -1.079 6.532 -1.330) 6.752 6.112 ( -1.237 6.248 -2.557) 6.863 6.556 ( -0.122 16.296 0.187) 16.298 6.560 ( -0.167 16.024 -0.142) 16.025 6.784 ( 0.491 8.954 4.255) 9.926 6.833 ( -1.710 11.691 0.166) 11.816 7.194 ( 1.229 0.921 6.219) 6.405 7.244 ( -0.770 -3.358 4.392) 5.582 7.336 ( 2.126 -4.660 -2.698) 5.789 7.391 ( -0.253 -6.758 -4.819) 8.303 8.033 ( 1.711 2.679 0.469) 3.213 8.037 ( 1.775 2.142 -0.063) 2.783 8.260 ( 1.327 -0.010 7.604) 7.719 8.397 ( -4.302 -0.647 -4.829) 6.500 9.129 ( 0.698 12.992 0.183) 13.012 9.160 ( -0.632 13.879 -2.660) 14.146 9.733 ( 0.854 1.841 1.811) 2.720 9.783 ( -1.198 3.160 -2.894) 4.450 10.398 ( 2.136 19.670 0.629) 19.796 10.413 ( 2.518 20.889 -0.603) 21.048 10.562 ( -4.365 18.074 3.898) 18.997 10.661 ( -8.349 17.697 -5.196) 20.246 17.181 ( 1.221 1.557 1.555) 2.516 17.197 ( 0.678 1.543 1.057) 1.989 17.253 ( 1.774 -0.835 0.838) 2.133 17.305 ( -0.220 -1.245 -2.964) 3.223 17.505 ( 1.090 5.595 0.110) 5.701 17.517 ( 1.448 5.407 -1.206) 5.726 17.568 ( -0.945 3.185 0.782) 3.413 17.604 ( -1.373 1.686 -2.542) 3.346 18.377 ( 3.813 5.585 2.431) 7.186 18.397 ( 3.090 4.393 1.308) 5.528 18.444 ( 3.338 5.336 -0.254) 6.299 18.461 ( 2.788 4.440 -1.018) 5.341 20.328 ( 1.642 -0.238 0.103) 1.662 20.333 ( 1.327 0.045 -0.339) 1.370 20.402 ( -0.336 -1.893 0.598) 2.013 20.418 ( -0.859 -2.408 -0.942) 2.725 26.708 ( 0.199 -5.374 0.626) 5.414 26.720 ( 0.154 -5.657 -0.383) 5.672 26.728 ( -0.619 -5.546 0.622) 5.615 26.743 ( -0.834 -5.836 -0.692) 5.936 36.095 ( 1.241 -4.561 1.570) 4.980 36.116 ( 1.227 -5.734 0.107) 5.864 36.191 ( -0.029 -8.318 2.809) 8.779 36.261 ( -2.298 -9.940 -3.243) 10.705 39.363 ( 4.104 15.216 2.114) 15.901 39.409 ( 5.851 14.631 -2.271) 15.920 39.615 ( -6.648 16.530 6.855) 19.090 39.783 ( -10.897 13.890 -8.955) 19.796 ======================= Grid point 178 (64/72) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -3.287 12.926 1.833) 13.463 1.390 ( 3.287 12.926 1.833) 13.463 1.537 ( -4.654 9.416 -1.594) 10.624 1.537 ( 4.654 9.416 -1.594) 10.624 1.896 ( -1.823 8.180 -0.047) 8.381 1.896 ( 1.823 8.180 -0.047) 8.381 1.927 ( -0.985 3.846 0.737) 4.038 1.927 ( 0.985 3.846 0.737) 4.038 2.427 ( -2.900 10.479 2.206) 11.094 2.427 ( 2.900 10.479 2.206) 11.094 2.488 ( -4.277 8.879 -2.736) 10.228 2.488 ( 4.277 8.879 -2.736) 10.228 2.808 ( -1.717 4.570 0.805) 4.948 2.808 ( 1.717 4.570 0.805) 4.948 2.865 ( -2.073 4.448 -0.418) 4.925 2.865 ( 2.073 4.448 -0.418) 4.925 3.255 ( -3.971 3.783 1.805) 5.774 3.255 ( 3.971 3.783 1.805) 5.774 3.301 ( -5.136 0.806 -1.493) 5.409 3.301 ( 5.136 0.806 -1.493) 5.409 3.645 ( -1.160 0.975 2.230) 2.696 3.645 ( 1.160 0.975 2.230) 2.696 3.835 ( -1.055 -3.572 -1.695) 4.092 3.835 ( 1.055 -3.572 -1.695) 4.092 4.489 ( -0.517 -6.631 2.166) 6.995 4.489 ( 0.517 -6.631 2.166) 6.995 4.605 ( -0.440 -8.325 -2.488) 8.700 4.605 ( 0.440 -8.325 -2.488) 8.700 5.499 ( -2.711 0.345 0.223) 2.742 5.499 ( 2.711 0.345 0.223) 2.742 5.612 ( -2.896 3.245 -3.246) 5.427 5.612 ( 2.896 3.245 -3.246) 5.427 5.989 ( -0.376 0.764 -0.475) 0.975 5.989 ( 0.376 0.764 -0.475) 0.975 6.091 ( -0.590 5.667 -1.144) 5.811 6.091 ( 0.590 5.667 -1.144) 5.811 6.557 ( -0.154 16.866 -0.076) 16.867 6.557 ( 0.154 16.866 -0.076) 16.867 6.801 ( -1.318 10.511 2.246) 10.829 6.801 ( 1.318 10.511 2.246) 10.829 7.222 ( -1.471 -1.726 5.580) 6.023 7.222 ( 1.471 -1.726 5.580) 6.023 7.374 ( -1.519 -5.839 -4.091) 7.290 7.374 ( 1.519 -5.839 -4.091) 7.290 8.054 ( -0.282 2.071 0.086) 2.092 8.054 ( 0.282 2.071 0.086) 2.092 8.313 ( -3.925 0.735 1.742) 4.357 8.313 ( 3.925 0.735 1.742) 4.357 9.145 ( -0.850 13.751 -1.064) 13.818 9.145 ( 0.850 13.751 -1.064) 13.818 9.756 ( -1.388 2.193 -1.015) 2.787 9.756 ( 1.388 2.193 -1.015) 2.787 10.445 ( -1.637 19.783 1.380) 19.898 10.445 ( 1.637 19.783 1.380) 19.898 10.529 ( -3.770 19.678 -1.684) 20.107 10.529 ( 3.770 19.678 -1.684) 20.107 17.199 ( -0.478 1.748 1.849) 2.589 17.199 ( 0.478 1.748 1.849) 2.589 17.287 ( -1.513 -1.126 -1.343) 2.316 17.287 ( 1.513 -1.126 -1.343) 2.316 17.525 ( -0.765 7.620 -0.182) 7.660 17.525 ( 0.765 7.620 -0.182) 7.660 17.574 ( -1.453 0.861 -1.462) 2.234 17.574 ( 1.453 0.861 -1.462) 2.234 18.424 ( -0.573 4.570 2.213) 5.110 18.424 ( 0.573 4.570 2.213) 5.110 18.486 ( -0.537 4.083 -0.996) 4.237 18.486 ( 0.537 4.083 -0.996) 4.237 20.350 ( -0.132 -0.300 -0.028) 0.329 20.350 ( 0.132 -0.300 -0.028) 0.329 20.399 ( -0.590 -2.231 -0.357) 2.335 20.399 ( 0.590 -2.231 -0.357) 2.335 26.715 ( -0.479 -5.428 0.626) 5.485 26.715 ( 0.479 -5.428 0.626) 5.485 26.729 ( -0.557 -5.703 -0.540) 5.756 26.729 ( 0.557 -5.703 -0.540) 5.756 36.118 ( -0.895 -5.584 2.015) 6.003 36.118 ( 0.895 -5.584 2.015) 6.003 36.214 ( -2.208 -8.586 -1.428) 8.979 36.214 ( 2.208 -8.586 -1.428) 8.979 39.459 ( -4.847 15.986 3.097) 16.989 39.459 ( 4.847 15.986 3.097) 16.989 39.585 ( -8.030 14.907 -3.974) 17.393 39.585 ( 8.030 14.907 -3.974) 17.393 ======================= Grid point 182 (65/72) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 10.482 -2.409) 10.755 1.468 ( 0.000 11.592 -3.941) 12.244 1.555 ( 0.000 8.336 2.837) 8.805 1.633 ( 0.000 3.725 -4.472) 5.820 1.997 ( 0.000 9.909 4.011) 10.690 2.030 ( 0.000 10.459 0.976) 10.504 2.243 ( 0.000 5.278 4.004) 6.625 2.273 ( 0.000 3.986 1.685) 4.328 2.494 ( 0.000 5.327 -0.397) 5.342 2.503 ( 0.000 4.614 -1.380) 4.816 2.613 ( 0.000 -1.060 2.822) 3.015 2.704 ( 0.000 -1.501 -5.595) 5.793 2.789 ( 0.000 1.404 -0.275) 1.430 2.790 ( 0.000 -0.703 0.047) 0.705 3.008 ( 0.000 5.712 5.284) 7.781 3.063 ( 0.000 1.027 6.814) 6.891 3.115 ( 0.000 5.458 -3.797) 6.649 3.222 ( 0.000 -0.857 -7.405) 7.454 3.520 ( 0.000 1.338 0.737) 1.528 3.532 ( 0.000 3.304 -0.725) 3.382 3.638 ( 0.000 -3.692 0.712) 3.760 3.653 ( 0.000 -1.787 -0.792) 1.954 3.669 ( 0.000 -0.963 2.947) 3.100 3.717 ( 0.000 -3.083 -1.625) 3.485 4.396 ( 0.000 -3.573 2.247) 4.221 4.426 ( 0.000 -5.737 -0.473) 5.756 4.450 ( 0.000 -3.440 1.563) 3.778 4.496 ( 0.000 -5.182 -2.856) 5.917 5.435 ( 0.000 4.104 1.640) 4.420 5.497 ( 0.000 3.538 -4.437) 5.675 5.752 ( 0.000 -5.790 1.580) 6.002 5.780 ( 0.000 -3.069 -0.841) 3.182 5.911 ( 0.000 0.512 -0.684) 0.854 5.947 ( 0.000 1.829 -3.760) 4.181 6.181 ( 0.000 -0.254 -0.628) 0.677 6.201 ( 0.000 0.292 -2.818) 2.833 6.760 ( 0.000 5.687 1.013) 5.777 6.766 ( 0.000 6.474 -0.070) 6.475 6.880 ( 0.000 5.957 6.510) 8.824 7.011 ( 0.000 4.098 -5.211) 6.629 7.168 ( 0.000 -3.793 2.413) 4.495 7.197 ( 0.000 -6.428 0.773) 6.474 7.221 ( 0.000 -1.262 2.283) 2.609 7.246 ( 0.000 -6.151 -1.460) 6.322 8.054 ( 0.000 4.147 4.045) 5.793 8.092 ( 0.000 6.038 4.298) 7.412 8.241 ( 0.000 1.097 3.234) 3.415 8.418 ( 0.000 -4.303 -9.282) 10.231 9.337 ( 0.000 9.879 2.058) 10.091 9.404 ( 0.000 9.007 -3.898) 9.815 9.753 ( 0.000 1.480 4.403) 4.645 9.849 ( 0.000 -0.374 -4.749) 4.764 10.756 ( 0.000 18.963 0.536) 18.970 10.770 ( 0.000 17.975 -0.814) 17.994 10.946 ( 0.000 9.693 4.947) 10.882 11.058 ( 0.000 4.526 -5.521) 7.139 17.170 ( 0.000 0.534 0.011) 0.534 17.175 ( 0.000 1.862 -0.414) 1.908 17.199 ( 0.000 -0.628 2.423) 2.503 17.253 ( 0.000 -1.710 -2.568) 3.086 17.496 ( 0.000 -0.347 -0.329) 0.478 17.503 ( 0.000 -0.541 -0.990) 1.128 17.637 ( 0.000 0.092 0.021) 0.094 17.646 ( 0.000 -0.370 -0.863) 0.939 18.420 ( 0.000 7.170 1.246) 7.277 18.430 ( 0.000 6.867 0.375) 6.877 18.485 ( 0.000 5.755 1.220) 5.883 18.494 ( 0.000 5.109 0.206) 5.113 20.305 ( 0.000 0.819 0.422) 0.921 20.315 ( 0.000 0.679 -0.509) 0.849 20.371 ( 0.000 -1.246 0.826) 1.495 20.387 ( 0.000 -1.788 -0.740) 1.935 26.621 ( 0.000 -3.116 0.281) 3.129 26.626 ( 0.000 -3.432 -0.216) 3.439 26.650 ( 0.000 -3.755 0.561) 3.797 26.661 ( 0.000 -4.247 -0.483) 4.274 36.004 ( 0.000 -2.243 0.883) 2.410 36.020 ( 0.000 -1.367 -0.428) 1.432 36.066 ( 0.000 -4.942 3.173) 5.873 36.132 ( 0.000 -6.857 -2.923) 7.454 39.511 ( 0.000 8.106 0.614) 8.129 39.514 ( 0.000 8.191 0.448) 8.203 40.032 ( 0.000 9.517 5.264) 10.876 40.177 ( 0.000 2.354 -8.201) 8.532 ======================= Grid point 183 (66/72) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 2.241 10.544 -0.865) 10.815 1.507 ( 3.639 10.309 -3.631) 11.520 1.582 ( 2.503 8.041 2.531) 8.794 1.659 ( 2.312 3.486 -4.174) 5.909 2.000 ( 0.092 9.264 4.200) 10.172 2.039 ( 0.773 10.523 0.533) 10.564 2.187 ( -4.310 4.933 4.066) 7.710 2.254 ( -2.925 5.885 -1.411) 6.721 2.500 ( 0.635 5.143 0.044) 5.183 2.506 ( 0.480 4.967 -0.798) 5.054 2.593 ( -1.251 -2.070 3.241) 4.044 2.689 ( -2.355 -4.287 -5.124) 7.084 2.795 ( 1.076 3.775 0.194) 3.930 2.802 ( 1.796 2.981 -0.355) 3.498 3.006 ( -0.354 4.949 5.027) 7.063 3.063 ( -0.782 3.336 3.667) 5.019 3.132 ( 2.045 2.067 -1.617) 3.327 3.220 ( 0.010 -0.878 -6.145) 6.208 3.508 ( -2.999 0.587 0.222) 3.064 3.514 ( -2.901 2.075 -0.342) 3.583 3.597 ( -0.959 -0.031 2.145) 2.350 3.631 ( 0.614 -2.455 -1.117) 2.767 3.715 ( 1.786 -1.663 1.237) 2.736 3.738 ( 1.576 -3.892 -0.891) 4.292 4.395 ( -0.064 -3.397 2.102) 3.995 4.424 ( -0.263 -4.718 -0.426) 4.745 4.448 ( -0.050 -4.163 1.383) 4.387 4.492 ( -0.439 -5.220 -2.685) 5.886 5.444 ( 1.060 3.940 1.601) 4.383 5.506 ( 0.956 3.329 -4.412) 5.609 5.728 ( -2.564 -3.395 0.939) 4.357 5.756 ( -2.254 -3.158 -1.274) 4.083 5.924 ( 1.242 0.166 -0.547) 1.368 5.953 ( 0.746 1.012 -3.088) 3.334 6.163 ( -1.723 -0.586 -0.454) 1.876 6.184 ( -1.665 -0.111 -2.687) 3.163 6.761 ( 0.183 6.008 1.356) 6.162 6.770 ( 0.418 6.750 0.220) 6.767 6.887 ( 0.623 5.506 5.934) 8.119 7.003 ( -0.900 3.876 -4.112) 5.722 7.171 ( 0.150 -4.066 2.522) 4.787 7.197 ( -0.188 -3.379 0.906) 3.503 7.220 ( 0.264 -4.007 1.439) 4.266 7.246 ( 0.157 -6.255 -1.807) 6.513 8.069 ( 1.490 4.288 3.706) 5.860 8.114 ( 1.912 6.199 2.580) 6.982 8.238 ( -0.124 0.487 4.345) 4.374 8.404 ( -1.471 -3.946 -7.905) 8.957 9.350 ( 1.260 10.486 1.852) 10.723 9.414 ( 0.934 10.014 -4.112) 10.865 9.744 ( -0.712 0.587 4.015) 4.119 9.835 ( -1.460 -0.804 -4.571) 4.865 10.760 ( 0.501 18.491 0.646) 18.509 10.776 ( 0.634 17.607 -0.791) 17.637 10.925 ( -2.015 10.507 4.330) 11.542 11.023 ( -3.364 6.156 -4.796) 8.498 17.185 ( 1.062 1.328 0.066) 1.701 17.186 ( 1.313 0.838 -0.169) 1.566 17.211 ( 1.092 -0.627 2.156) 2.497 17.264 ( 0.826 -1.873 -2.562) 3.279 17.508 ( 1.348 -0.029 -0.136) 1.355 17.518 ( 1.471 -0.291 -1.130) 1.878 17.633 ( -0.451 0.411 0.065) 0.613 17.643 ( -0.306 -0.157 -0.968) 1.027 18.445 ( 2.404 6.778 1.275) 7.304 18.455 ( 2.370 6.422 0.448) 6.860 18.507 ( 2.104 5.379 1.006) 5.863 18.515 ( 2.013 4.942 0.304) 5.345 20.311 ( 0.623 0.716 0.410) 1.034 20.321 ( 0.586 0.580 -0.516) 0.972 20.373 ( 0.129 -1.238 0.707) 1.431 20.387 ( -0.071 -1.706 -0.668) 1.834 26.621 ( -0.005 -3.140 0.286) 3.153 26.626 ( 0.004 -3.453 -0.222) 3.460 26.646 ( -0.383 -3.688 0.524) 3.745 26.656 ( -0.458 -4.142 -0.441) 4.191 36.012 ( 0.737 -2.469 0.709) 2.672 36.023 ( 0.322 -1.550 -0.253) 1.603 36.064 ( -0.118 -4.804 2.903) 5.614 36.125 ( -0.696 -6.604 -2.685) 7.163 39.533 ( 2.334 8.415 0.889) 8.777 39.543 ( 2.995 7.998 -0.053) 8.541 39.985 ( -4.641 9.539 4.816) 11.650 40.116 ( -5.995 3.163 -7.352) 10.000 ======================= Grid point 184 (67/72) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 4.022 9.803 1.907) 10.766 1.596 ( 5.118 7.850 -1.909) 9.563 1.629 ( 1.400 7.906 2.523) 8.416 1.702 ( 1.395 3.444 -2.830) 4.671 1.998 ( 0.056 7.959 3.640) 8.752 2.049 ( 0.022 9.260 -1.031) 9.317 2.109 ( -3.127 6.123 1.034) 6.953 2.165 ( -5.404 8.110 -3.520) 10.361 2.514 ( 0.886 2.572 1.628) 3.170 2.526 ( 1.182 4.597 0.057) 4.747 2.579 ( -0.191 0.954 0.654) 1.172 2.629 ( -3.037 -2.354 -3.285) 5.056 2.840 ( 3.596 5.038 1.216) 6.308 2.859 ( 3.756 4.274 -0.489) 5.711 2.986 ( -1.917 4.295 3.696) 5.982 3.024 ( -3.090 4.615 1.033) 5.649 3.190 ( 3.716 -0.682 -0.185) 3.783 3.233 ( 1.578 -0.779 -3.538) 3.952 3.401 ( -6.593 -0.677 0.536) 6.649 3.414 ( -6.358 0.292 -0.536) 6.387 3.627 ( 2.500 0.888 1.872) 3.247 3.660 ( 1.423 -0.107 -1.171) 1.846 3.741 ( 1.089 -3.027 1.166) 3.422 3.761 ( 0.609 -4.066 -0.700) 4.171 4.395 ( 0.114 -2.877 1.748) 3.368 4.414 ( -0.693 -2.835 0.413) 2.948 4.452 ( 0.448 -5.503 0.147) 5.523 4.480 ( -0.747 -5.409 -2.149) 5.868 5.479 ( 2.467 3.442 1.293) 4.428 5.534 ( 1.590 2.810 -3.974) 5.121 5.662 ( -3.511 -0.659 0.430) 3.598 5.699 ( -3.425 -2.001 -2.664) 4.779 5.957 ( 2.078 0.007 -0.331) 2.104 5.978 ( 1.541 0.470 -2.142) 2.680 6.121 ( -2.218 -1.665 -0.249) 2.785 6.141 ( -2.544 -1.230 -2.259) 3.618 6.770 ( 0.762 6.902 1.996) 7.225 6.782 ( 0.599 7.682 0.988) 7.769 6.902 ( 0.925 4.205 4.201) 6.015 6.972 ( -2.147 3.435 -1.488) 4.315 7.171 ( -0.034 -3.665 2.170) 4.260 7.186 ( -0.739 -2.575 1.168) 2.922 7.238 ( 1.145 -5.360 -0.420) 5.497 7.253 ( 0.375 -6.447 -1.706) 6.680 8.105 ( 1.963 4.683 2.579) 5.695 8.146 ( 0.760 6.592 -0.756) 6.678 8.250 ( 1.690 -1.138 5.830) 6.176 8.362 ( -2.742 -2.977 -4.024) 5.708 9.383 ( 2.064 12.056 0.876) 12.262 9.430 ( 0.413 12.440 -3.625) 12.965 9.734 ( -0.028 -1.707 2.258) 2.831 9.796 ( -2.371 -1.931 -3.630) 4.747 10.778 ( 1.309 17.184 1.040) 17.265 10.798 ( 1.633 16.402 -0.738) 16.500 10.877 ( -2.594 12.410 2.767) 12.977 10.942 ( -4.483 9.790 -3.226) 11.241 17.206 ( 1.018 1.266 0.590) 1.728 17.214 ( 1.050 0.473 0.566) 1.283 17.235 ( 1.307 -0.845 0.641) 1.683 17.273 ( -0.077 -1.891 -2.126) 2.847 17.545 ( 2.174 0.571 -0.084) 2.249 17.555 ( 2.080 0.255 -1.123) 2.378 17.620 ( -0.902 0.954 0.057) 1.314 17.632 ( -0.928 0.327 -1.133) 1.501 18.500 ( 2.752 6.069 1.313) 6.792 18.507 ( 2.525 5.806 0.757) 6.376 18.552 ( 2.116 4.609 0.720) 5.123 18.559 ( 2.022 4.363 0.239) 4.815 20.329 ( 1.152 0.339 0.262) 1.229 20.336 ( 0.901 0.280 -0.406) 1.027 20.372 ( -0.261 -1.123 0.395) 1.219 20.381 ( -0.615 -1.424 -0.461) 1.618 26.622 ( 0.136 -3.211 0.310) 3.229 26.628 ( 0.142 -3.510 -0.220) 3.520 26.637 ( -0.498 -3.543 0.420) 3.602 26.645 ( -0.612 -3.913 -0.354) 3.976 36.027 ( 0.619 -2.517 0.697) 2.684 36.032 ( 0.620 -2.397 0.173) 2.482 36.064 ( 0.240 -4.629 1.718) 4.943 36.106 ( -1.228 -5.919 -1.975) 6.359 39.603 ( 4.805 8.957 1.454) 10.268 39.631 ( 6.012 7.723 -1.259) 9.867 39.866 ( -7.020 9.377 3.721) 12.290 39.963 ( -9.061 4.874 -5.288) 11.568 ======================= Grid point 185 (68/72) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -3.043 8.758 3.376) 9.867 1.612 ( 3.043 8.758 3.376) 9.867 1.686 ( -3.272 4.973 -0.861) 6.015 1.686 ( 3.272 4.973 -0.861) 6.015 2.026 ( -2.665 6.797 -0.367) 7.310 2.026 ( 2.665 6.797 -0.367) 7.310 2.087 ( -1.750 8.793 -2.459) 9.297 2.087 ( 1.750 8.793 -2.459) 9.297 2.533 ( -0.679 1.867 0.995) 2.221 2.533 ( 0.679 1.867 0.995) 2.221 2.587 ( -1.162 2.214 -1.306) 2.821 2.587 ( 1.162 2.214 -1.306) 2.821 2.915 ( -2.327 5.396 1.843) 6.159 2.915 ( 2.327 5.396 1.843) 6.159 2.953 ( -2.756 3.774 0.531) 4.704 2.953 ( 2.756 3.774 0.531) 4.704 3.271 ( -2.765 -0.925 -0.578) 2.972 3.271 ( 2.765 -0.925 -0.578) 2.972 3.304 ( -2.293 -0.646 -0.615) 2.460 3.304 ( 2.293 -0.646 -0.615) 2.460 3.665 ( -1.001 0.811 0.696) 1.464 3.665 ( 1.001 0.811 0.696) 1.464 3.760 ( -0.680 -3.965 -0.090) 4.024 3.760 ( 0.680 -3.965 -0.090) 4.024 4.401 ( -0.521 -2.404 1.225) 2.748 4.401 ( 0.521 -2.404 1.225) 2.748 4.464 ( -0.767 -5.687 -1.198) 5.862 4.464 ( 0.767 -5.687 -1.198) 5.862 5.533 ( -2.387 2.865 -0.302) 3.741 5.533 ( 2.387 2.865 -0.302) 3.741 5.639 ( -1.913 -0.550 -2.488) 3.186 5.639 ( 1.913 -0.550 -2.488) 3.186 5.991 ( -0.787 0.848 -0.982) 1.517 5.991 ( 0.787 0.848 -0.982) 1.517 6.101 ( -0.821 -2.600 -1.176) 2.970 6.101 ( 0.821 -2.600 -1.176) 2.970 6.784 ( -0.437 7.983 2.022) 8.247 6.784 ( 0.437 7.983 2.022) 8.247 6.929 ( -1.977 3.177 1.319) 3.967 6.929 ( 1.977 3.177 1.319) 3.967 7.174 ( -0.391 -3.116 1.597) 3.523 7.174 ( 0.391 -3.116 1.597) 3.523 7.254 ( -0.398 -6.010 -1.362) 6.176 7.254 ( 0.398 -6.010 -1.362) 6.176 8.138 ( -1.273 5.522 0.613) 5.700 8.138 ( 1.273 5.522 0.613) 5.700 8.302 ( -3.233 -1.904 1.437) 4.018 8.302 ( 3.233 -1.904 1.437) 4.018 9.421 ( -1.430 13.452 -1.292) 13.589 9.421 ( 1.430 13.452 -1.292) 13.589 9.752 ( -1.828 -2.879 -1.106) 3.585 9.752 ( 1.828 -2.879 -1.106) 3.585 10.810 ( -1.581 15.518 1.519) 15.673 10.810 ( 1.581 15.518 1.519) 15.673 10.865 ( -2.765 13.087 -1.491) 13.459 10.865 ( 2.765 13.087 -1.491) 13.459 17.220 ( -0.313 0.762 1.098) 1.373 17.220 ( 0.313 0.762 1.098) 1.373 17.260 ( -1.129 -1.393 -1.207) 2.161 17.260 ( 1.129 -1.393 -1.207) 2.161 17.579 ( -0.672 0.764 -0.325) 1.068 17.579 ( 0.672 0.764 -0.325) 1.068 17.610 ( -0.805 0.815 -0.855) 1.430 17.610 ( 0.805 0.815 -0.855) 1.430 18.533 ( -0.240 5.735 1.225) 5.870 18.533 ( 0.240 5.735 1.225) 5.870 18.578 ( -0.265 4.048 0.295) 4.067 18.578 ( 0.265 4.048 0.295) 4.067 20.348 ( -0.240 0.069 -0.052) 0.255 20.348 ( 0.240 0.069 -0.052) 0.255 20.367 ( -0.309 -1.118 -0.091) 1.163 20.367 ( 0.309 -1.118 -0.091) 1.163 26.626 ( -0.341 -3.332 0.334) 3.366 26.626 ( 0.341 -3.332 0.334) 3.366 26.634 ( -0.402 -3.697 -0.254) 3.728 26.634 ( 0.402 -3.697 -0.254) 3.728 36.036 ( -0.249 -2.677 0.971) 2.858 36.036 ( 0.249 -2.677 0.971) 2.858 36.080 ( -1.285 -5.064 -0.680) 5.269 36.080 ( 1.285 -5.064 -0.680) 5.269 39.712 ( -5.017 9.709 1.588) 11.044 39.712 ( 5.017 9.709 1.588) 11.044 39.791 ( -6.825 6.191 -2.195) 9.473 39.791 ( 6.825 6.191 -2.195) 9.473 ======================= Grid point 189 (69/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 -0.946 -2.536) 2.707 1.575 ( 0.000 0.946 -2.536) 2.707 1.653 ( 0.000 -1.794 -1.255) 2.189 1.653 ( 0.000 1.794 -1.255) 2.189 2.171 ( 0.000 -3.401 2.397) 4.161 2.171 ( 0.000 3.401 2.397) 4.161 2.259 ( 0.000 -1.278 3.620) 3.839 2.259 ( 0.000 1.278 3.620) 3.839 2.552 ( 0.000 -0.108 -0.421) 0.435 2.552 ( 0.000 0.108 -0.421) 0.435 2.641 ( 0.000 -2.995 -2.159) 3.692 2.641 ( 0.000 2.995 -2.159) 3.692 2.801 ( 0.000 -0.218 -0.697) 0.730 2.801 ( 0.000 0.218 -0.697) 0.730 3.059 ( 0.000 -0.485 5.940) 5.960 3.059 ( 0.000 0.485 5.940) 5.960 3.185 ( 0.000 -2.185 -5.869) 6.262 3.185 ( 0.000 2.185 -5.869) 6.262 3.562 ( 0.000 -2.773 1.645) 3.225 3.562 ( 0.000 2.773 1.645) 3.225 3.604 ( 0.000 -2.782 -1.815) 3.322 3.604 ( 0.000 2.782 -1.815) 3.322 3.670 ( 0.000 -1.473 1.026) 1.795 3.670 ( 0.000 1.473 1.026) 1.795 4.366 ( 0.000 -0.543 1.533) 1.626 4.366 ( 0.000 0.543 1.533) 1.626 4.430 ( 0.000 -1.391 -1.244) 1.866 4.430 ( 0.000 1.391 -1.244) 1.866 5.517 ( 0.000 -2.963 -0.305) 2.979 5.517 ( 0.000 2.963 -0.305) 2.979 5.703 ( 0.000 -2.352 -1.197) 2.639 5.703 ( 0.000 2.352 -1.197) 2.639 5.946 ( 0.000 -1.742 -1.780) 2.490 5.946 ( 0.000 1.742 -1.780) 2.490 6.186 ( 0.000 -1.044 -1.332) 1.692 6.186 ( 0.000 1.044 -1.332) 1.692 6.823 ( 0.000 -0.607 0.565) 0.830 6.823 ( 0.000 0.607 0.565) 0.830 7.003 ( 0.000 -5.442 2.076) 5.824 7.003 ( 0.000 5.442 2.076) 5.824 7.133 ( 0.000 -0.378 -0.461) 0.596 7.133 ( 0.000 0.378 -0.461) 0.596 7.173 ( 0.000 -1.203 0.339) 1.249 7.173 ( 0.000 1.203 0.339) 1.249 8.122 ( 0.000 -2.114 7.819) 8.100 8.122 ( 0.000 2.114 7.819) 8.100 8.321 ( 0.000 -5.610 -6.587) 8.652 8.321 ( 0.000 5.610 -6.587) 8.652 9.468 ( 0.000 -2.590 0.995) 2.774 9.468 ( 0.000 2.590 0.995) 2.774 9.804 ( 0.000 -3.510 -2.070) 4.075 9.804 ( 0.000 3.510 -2.070) 4.075 11.000 ( 0.000 -3.802 1.136) 3.968 11.000 ( 0.000 3.802 1.136) 3.968 11.032 ( 0.000 -7.132 -1.061) 7.210 11.032 ( 0.000 7.132 -1.061) 7.210 17.184 ( 0.000 -0.798 1.328) 1.549 17.184 ( 0.000 0.798 1.328) 1.549 17.216 ( 0.000 -2.103 -1.631) 2.662 17.216 ( 0.000 2.103 -1.631) 2.662 17.491 ( 0.000 -0.219 -0.730) 0.762 17.491 ( 0.000 0.219 -0.730) 0.762 17.637 ( 0.000 -0.225 -0.271) 0.352 17.637 ( 0.000 0.225 -0.271) 0.352 18.501 ( 0.000 -0.302 0.540) 0.618 18.501 ( 0.000 0.302 0.540) 0.618 18.544 ( 0.000 -0.195 0.926) 0.947 18.544 ( 0.000 0.195 0.926) 0.947 20.320 ( 0.000 -0.430 0.081) 0.438 20.320 ( 0.000 0.430 0.081) 0.438 20.362 ( 0.000 -0.589 -0.075) 0.594 20.362 ( 0.000 0.589 -0.075) 0.594 26.592 ( 0.000 -0.125 -0.045) 0.133 26.592 ( 0.000 0.125 -0.045) 0.133 26.614 ( 0.000 -0.309 0.111) 0.328 26.614 ( 0.000 0.309 0.111) 0.328 35.993 ( 0.000 -1.053 1.708) 2.007 35.993 ( 0.000 1.053 1.708) 2.007 36.042 ( 0.000 -2.319 -1.440) 2.730 36.042 ( 0.000 2.319 -1.440) 2.730 39.594 ( 0.000 -0.153 0.786) 0.801 39.594 ( 0.000 0.153 0.786) 0.801 40.161 ( 0.000 -3.784 -1.441) 4.049 40.161 ( 0.000 3.784 -1.441) 4.049 ======================= Grid point 191 (70/72) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 2.047 -1.275 -0.732) 2.520 1.595 ( 2.047 1.275 -0.732) 2.520 1.680 ( 2.431 -1.606 -1.998) 3.532 1.680 ( 2.431 1.606 -1.998) 3.532 2.160 ( -1.359 -4.471 3.511) 5.845 2.160 ( -1.359 4.471 3.511) 5.845 2.248 ( -1.079 -5.300 0.758) 5.461 2.248 ( -1.079 5.300 0.758) 5.461 2.557 ( 0.409 -0.453 -0.163) 0.632 2.557 ( 0.409 0.453 -0.163) 0.632 2.608 ( -2.256 -3.018 -2.018) 4.275 2.608 ( -2.256 3.018 -2.018) 4.275 2.833 ( 2.728 -0.214 -0.249) 2.748 2.833 ( 2.728 0.214 -0.249) 2.748 3.062 ( 0.038 -1.515 5.832) 6.026 3.062 ( 0.038 1.515 5.832) 6.026 3.181 ( -0.124 -2.243 -5.451) 5.896 3.181 ( -0.124 2.243 -5.451) 5.896 3.533 ( -5.137 -1.047 -0.290) 5.250 3.533 ( -5.137 1.047 -0.290) 5.250 3.596 ( 2.082 -0.346 0.609) 2.197 3.596 ( 2.082 0.346 0.609) 2.197 3.692 ( 1.279 -0.176 0.340) 1.335 3.692 ( 1.279 0.176 0.340) 1.335 4.369 ( 0.254 -0.682 1.269) 1.463 4.369 ( 0.254 0.682 1.269) 1.463 4.426 ( -0.476 -1.384 -1.015) 1.780 4.426 ( -0.476 1.384 -1.015) 1.780 5.523 ( 0.755 -2.886 -0.429) 3.014 5.523 ( 0.755 2.886 -0.429) 3.014 5.692 ( -1.199 -2.005 -1.303) 2.675 5.692 ( -1.199 2.005 -1.303) 2.675 5.949 ( 0.527 -1.548 -1.671) 2.338 5.949 ( 0.527 1.548 -1.671) 2.338 6.164 ( -2.131 -1.081 -1.304) 2.722 6.164 ( -2.131 1.081 -1.304) 2.722 6.830 ( 0.846 -0.776 0.881) 1.448 6.830 ( 0.846 0.776 0.881) 1.448 6.996 ( -0.821 -4.751 2.233) 5.313 6.996 ( -0.821 4.751 2.233) 5.313 7.142 ( 0.763 -1.319 -0.338) 1.561 7.142 ( 0.763 1.319 -0.338) 1.561 7.166 ( -0.510 -1.812 -0.046) 1.883 7.166 ( -0.510 1.812 -0.046) 1.883 8.141 ( 1.880 -2.425 7.058) 7.696 8.141 ( 1.880 2.425 7.058) 7.696 8.311 ( -1.008 -5.479 -5.573) 7.880 8.311 ( -1.008 5.479 -5.573) 7.880 9.490 ( 2.278 -2.756 0.589) 3.623 9.490 ( 2.278 2.756 0.589) 3.623 9.783 ( -2.106 -3.523 -2.025) 4.577 9.783 ( -2.106 3.523 -2.025) 4.577 10.994 ( -0.483 -3.176 0.988) 3.361 10.994 ( -0.483 3.176 0.988) 3.361 11.022 ( -0.949 -6.231 -0.868) 6.363 11.022 ( -0.949 6.231 -0.868) 6.363 17.197 ( 1.192 -0.667 1.096) 1.752 17.197 ( 1.192 0.667 1.096) 1.752 17.224 ( 0.721 -2.097 -1.398) 2.621 17.224 ( 0.721 2.097 -1.398) 2.621 17.509 ( 1.765 -0.309 -0.715) 1.929 17.509 ( 1.765 0.309 -0.715) 1.929 17.635 ( -0.194 -0.271 -0.287) 0.440 17.635 ( -0.194 0.271 -0.287) 0.440 18.522 ( 2.101 -0.318 0.555) 2.196 18.522 ( 2.101 0.318 0.555) 2.196 18.563 ( 1.763 -0.212 0.927) 2.003 18.563 ( 1.763 0.212 0.927) 2.003 20.325 ( 0.478 -0.423 0.061) 0.642 20.325 ( 0.478 0.423 0.061) 0.642 20.364 ( 0.110 -0.524 -0.078) 0.541 20.364 ( 0.110 0.524 -0.078) 0.541 26.591 ( -0.037 -0.131 -0.036) 0.141 26.591 ( -0.037 0.131 -0.036) 0.141 26.610 ( -0.324 -0.286 0.104) 0.445 26.610 ( -0.324 0.286 0.104) 0.445 35.997 ( 0.382 -0.893 1.491) 1.780 35.997 ( 0.382 0.893 1.491) 1.780 36.039 ( -0.276 -2.135 -1.236) 2.482 36.039 ( -0.276 2.135 -1.236) 2.482 39.620 ( 2.705 -0.279 0.649) 2.795 39.620 ( 2.705 0.279 0.649) 2.795 40.111 ( -4.943 -3.443 -1.264) 6.155 40.111 ( -4.943 3.443 -1.264) 6.155 ======================= Grid point 193 (71/72) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.511 -1.639 1.972) 4.348 1.651 ( 3.511 1.639 1.972) 4.348 1.725 ( 1.491 -1.316 -1.133) 2.289 1.725 ( 1.491 1.316 -1.133) 2.289 2.128 ( -1.081 -3.715 2.256) 4.479 2.128 ( -1.081 3.715 2.256) 4.479 2.209 ( -3.046 -4.244 -3.356) 6.209 2.209 ( -3.046 4.244 -3.356) 6.209 2.564 ( 0.549 -2.747 0.391) 2.828 2.564 ( 0.549 2.747 0.391) 2.828 2.585 ( -0.241 -0.986 -1.266) 1.623 2.585 ( -0.241 0.986 -1.266) 1.623 2.899 ( 4.002 -0.607 0.773) 4.121 2.899 ( 4.002 0.607 0.773) 4.121 3.045 ( -2.036 -1.731 4.156) 4.941 3.045 ( -2.036 1.731 4.156) 4.941 3.198 ( 2.239 -1.657 -3.341) 4.350 3.198 ( 2.239 1.657 -3.341) 4.350 3.405 ( -7.250 -0.745 -0.533) 7.308 3.405 ( -7.250 0.745 -0.533) 7.308 3.649 ( 2.797 -1.215 0.541) 3.097 3.649 ( 2.797 1.215 0.541) 3.097 3.707 ( 0.104 -0.730 0.225) 0.771 3.707 ( 0.104 0.730 0.225) 0.771 4.377 ( 0.637 -0.959 0.682) 1.338 4.377 ( 0.637 0.959 0.682) 1.338 4.412 ( -0.885 -1.342 -0.497) 1.682 4.412 ( -0.885 1.342 -0.497) 1.682 5.549 ( 1.902 -2.613 -0.766) 3.321 5.549 ( 1.902 2.613 -0.766) 3.321 5.653 ( -2.664 -1.683 -1.404) 3.450 5.653 ( -2.664 1.683 -1.404) 3.450 5.976 ( 2.300 -1.224 -1.460) 2.986 5.976 ( 2.300 1.224 -1.460) 2.986 6.108 ( -3.526 -1.140 -1.276) 3.919 6.108 ( -3.526 1.140 -1.276) 3.919 6.859 ( 2.178 -1.226 1.565) 2.949 6.859 ( 2.178 1.226 1.565) 2.949 6.966 ( -2.325 -3.187 2.493) 4.667 6.966 ( -2.325 3.187 2.493) 4.667 7.153 ( 0.375 -1.079 -0.285) 1.177 7.153 ( 0.375 1.079 -0.285) 1.177 7.163 ( 0.150 -1.388 -0.590) 1.516 7.163 ( 0.150 1.388 -0.590) 1.516 8.188 ( 2.675 -3.164 4.718) 6.279 8.188 ( 2.675 3.164 4.718) 6.279 8.282 ( -1.859 -4.974 -2.739) 5.975 8.282 ( -1.859 4.974 -2.739) 5.975 9.553 ( 4.028 -3.099 -0.348) 5.094 9.553 ( 4.028 3.099 -0.348) 5.094 9.724 ( -3.832 -3.514 -1.809) 5.505 9.724 ( -3.832 3.514 -1.809) 5.505 10.985 ( -0.345 -1.545 0.613) 1.698 10.985 ( -0.345 1.545 0.613) 1.698 11.000 ( -1.076 -3.994 -0.407) 4.157 11.000 ( -1.076 3.994 -0.407) 4.157 17.222 ( 1.102 -0.489 0.517) 1.312 17.222 ( 1.102 0.489 0.517) 1.312 17.236 ( 0.373 -1.757 -0.830) 1.979 17.236 ( 0.373 1.757 -0.830) 1.979 17.553 ( 2.573 -0.298 -0.632) 2.667 17.553 ( 2.573 0.298 -0.632) 2.667 17.626 ( -0.847 -0.343 -0.352) 0.980 17.626 ( -0.847 0.343 -0.352) 0.980 18.572 ( 2.608 -0.316 0.633) 2.702 18.572 ( 2.608 0.316 0.633) 2.702 18.599 ( 1.532 -0.296 0.883) 1.793 18.599 ( 1.532 0.296 0.883) 1.793 20.338 ( 0.782 -0.319 0.011) 0.845 20.338 ( 0.782 0.319 0.011) 0.845 20.363 ( -0.256 -0.336 -0.074) 0.429 20.363 ( -0.256 0.336 -0.074) 0.429 26.591 ( 0.079 -0.151 -0.006) 0.170 26.591 ( 0.079 0.151 -0.006) 0.170 26.602 ( -0.438 -0.235 0.078) 0.503 26.602 ( -0.438 0.235 0.078) 0.503 36.007 ( 0.628 -0.654 0.902) 1.279 36.007 ( 0.628 0.654 0.902) 1.279 36.031 ( -0.518 -1.635 -0.673) 1.843 36.031 ( -0.518 1.635 -0.673) 1.843 39.700 ( 5.480 -0.791 0.274) 5.544 39.700 ( 5.480 0.791 0.274) 5.544 39.983 ( -7.715 -2.598 -0.813) 8.181 39.983 ( -7.715 2.598 -0.813) 8.181 ======================= Grid point 195 (72/72) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -2.336 -1.885 2.083) 3.654 1.715 ( 1.015 -1.564 2.083) 2.795 1.715 ( -1.015 1.564 2.083) 2.795 1.715 ( 2.336 1.885 2.083) 3.654 2.145 ( -2.685 -3.300 -2.596) 4.984 2.145 ( 2.402 -3.245 -2.596) 4.799 2.145 ( -2.402 3.245 -2.596) 4.799 2.145 ( 2.685 3.300 -2.596) 4.984 2.579 ( -0.622 -2.676 -0.193) 2.754 2.579 ( 0.621 -2.676 -0.193) 2.754 2.579 ( -0.621 2.676 -0.193) 2.754 2.579 ( 0.622 2.676 -0.193) 2.754 2.982 ( -4.111 -1.079 2.148) 4.762 2.982 ( -3.738 0.656 2.148) 4.361 2.982 ( 3.738 -0.656 2.148) 4.361 2.982 ( 4.111 1.079 2.148) 4.762 3.275 ( -5.238 -1.184 -1.299) 5.526 3.275 ( -4.680 -0.131 -1.299) 4.859 3.275 ( 4.680 0.131 -1.299) 4.859 3.275 ( 5.239 1.184 -1.299) 5.526 3.693 ( -0.997 -2.439 0.330) 2.655 3.693 ( 0.238 -2.390 0.330) 2.425 3.693 ( -0.238 2.390 0.330) 2.425 3.693 ( 0.997 2.439 0.330) 2.655 4.393 ( -0.821 -1.562 0.075) 1.766 4.393 ( 0.555 -1.532 0.075) 1.631 4.393 ( -0.555 1.532 0.075) 1.631 4.393 ( 0.821 1.562 0.075) 1.766 5.597 ( -2.366 -3.157 -1.182) 4.119 5.597 ( 0.760 -2.952 -1.182) 3.270 5.597 ( -0.760 2.952 -1.182) 3.270 5.597 ( 2.366 3.157 -1.182) 4.119 6.035 ( -2.490 -3.093 -1.323) 4.185 6.035 ( -0.738 -2.856 -1.323) 3.233 6.035 ( 0.738 2.856 -1.323) 3.233 6.035 ( 2.490 3.093 -1.323) 4.185 6.912 ( -1.835 -4.717 2.222) 5.527 6.912 ( 0.304 -4.629 2.222) 5.144 6.912 ( -0.304 4.629 2.222) 5.144 6.912 ( 1.835 4.717 2.222) 5.527 7.161 ( -0.054 -2.774 -0.510) 2.821 7.161 ( 0.010 -2.774 -0.510) 2.821 7.161 ( -0.010 2.774 -0.510) 2.821 7.161 ( 0.054 2.774 -0.510) 2.821 8.239 ( -2.396 -4.406 1.109) 5.137 8.239 ( 2.165 -4.377 1.109) 5.007 8.239 ( -2.165 4.377 1.109) 5.007 8.239 ( 2.396 4.406 1.109) 5.137 9.640 ( -2.684 -8.448 -1.258) 8.953 9.640 ( 0.619 -8.346 -1.258) 8.463 9.640 ( -0.619 8.346 -1.258) 8.463 9.640 ( 2.684 8.448 -1.258) 8.953 10.985 ( -0.381 -1.535 0.124) 1.586 10.985 ( 0.366 -1.534 0.124) 1.582 10.985 ( -0.366 1.534 0.124) 1.582 10.985 ( 0.381 1.535 0.124) 1.586 17.236 ( -0.381 -1.023 -0.163) 1.103 17.236 ( 0.376 -1.022 -0.163) 1.101 17.236 ( -0.376 1.022 -0.163) 1.101 17.236 ( 0.381 1.023 -0.163) 1.103 17.599 ( -1.444 -1.015 -0.484) 1.830 17.599 ( -0.935 -0.853 -0.484) 1.355 17.599 ( 0.935 0.853 -0.484) 1.355 17.599 ( 1.444 1.015 -0.484) 1.830 18.608 ( -0.386 -1.249 0.767) 1.515 18.608 ( -0.046 -1.234 0.767) 1.454 18.608 ( 0.046 1.234 0.767) 1.454 18.608 ( 0.386 1.249 0.767) 1.516 20.353 ( -0.566 -0.381 -0.044) 0.684 20.353 ( -0.323 -0.302 -0.044) 0.445 20.353 ( 0.323 0.302 -0.044) 0.445 20.353 ( 0.566 0.381 -0.044) 0.684 26.595 ( -0.289 -0.209 0.037) 0.359 26.595 ( 0.091 -0.158 0.037) 0.186 26.595 ( -0.091 0.158 0.037) 0.186 26.595 ( 0.289 0.209 0.037) 0.359 36.020 ( -0.631 -1.080 0.108) 1.256 36.020 ( 0.556 -1.070 0.108) 1.211 36.020 ( -0.556 1.070 0.108) 1.211 36.020 ( 0.631 1.080 0.108) 1.256 39.829 ( -7.340 -1.944 -0.251) 7.597 39.829 ( -6.314 0.526 -0.251) 6.341 39.829 ( 6.314 -0.526 -0.251) 6.341 39.829 ( 7.340 1.944 -0.251) 7.597 =================== 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 3/25200 10.0 230.657 301.515 179.949 0.000 0.000 -0.000 3/25200 20.0 49.799 136.408 39.574 0.000 0.000 0.000 3/25200 30.0 21.982 72.279 18.051 0.000 0.000 0.000 3/25200 40.0 12.751 43.991 10.666 0.000 0.000 0.000 3/25200 50.0 8.589 29.933 7.276 0.000 0.000 0.000 3/25200 60.0 6.352 22.158 5.432 0.000 0.000 0.000 3/25200 70.0 5.002 17.442 4.309 0.000 0.000 0.000 3/25200 80.0 4.116 14.356 3.567 0.000 0.000 0.000 3/25200 90.0 3.498 12.210 3.045 0.000 0.000 0.000 3/25200 100.0 3.045 10.642 2.660 0.000 0.000 0.000 3/25200 110.0 2.699 9.449 2.364 0.000 0.000 0.000 3/25200 120.0 2.427 8.511 2.130 0.000 0.000 0.000 3/25200 130.0 2.207 7.753 1.940 0.000 0.000 0.000 3/25200 140.0 2.026 7.127 1.783 0.000 0.000 0.000 3/25200 150.0 1.874 6.601 1.651 0.000 0.000 0.000 3/25200 160.0 1.744 6.151 1.537 0.000 0.000 0.000 3/25200 170.0 1.632 5.763 1.439 0.000 0.000 0.000 3/25200 180.0 1.534 5.423 1.354 0.000 0.000 0.000 3/25200 190.0 1.448 5.123 1.278 0.000 0.000 0.000 3/25200 200.0 1.372 4.857 1.211 0.000 0.000 0.000 3/25200 210.0 1.303 4.618 1.150 0.000 0.000 0.000 3/25200 220.0 1.242 4.403 1.096 0.000 0.000 0.000 3/25200 230.0 1.186 4.208 1.047 0.000 0.000 0.000 3/25200 240.0 1.135 4.030 1.002 0.000 0.000 0.000 3/25200 250.0 1.089 3.868 0.961 0.000 0.000 0.000 3/25200 260.0 1.046 3.719 0.923 0.000 0.000 0.000 3/25200 270.0 1.007 3.581 0.889 0.000 0.000 0.000 3/25200 280.0 0.970 3.454 0.856 0.000 0.000 0.000 3/25200 290.0 0.937 3.336 0.827 0.000 0.000 0.000 3/25200 300.0 0.905 3.226 0.799 0.000 0.000 0.000 3/25200 310.0 0.876 3.124 0.773 0.000 0.000 0.000 3/25200 320.0 0.849 3.028 0.749 0.000 0.000 0.000 3/25200 330.0 0.823 2.938 0.726 0.000 0.000 0.000 3/25200 340.0 0.799 2.854 0.705 0.000 0.000 0.000 3/25200 350.0 0.776 2.774 0.685 0.000 0.000 0.000 3/25200 360.0 0.755 2.699 0.666 0.000 0.000 0.000 3/25200 370.0 0.735 2.629 0.648 0.000 0.000 0.000 3/25200 380.0 0.716 2.562 0.631 0.000 0.000 0.000 3/25200 390.0 0.698 2.498 0.615 0.000 0.000 0.000 3/25200 400.0 0.681 2.438 0.600 0.000 0.000 0.000 3/25200 410.0 0.664 2.380 0.585 0.000 0.000 0.000 3/25200 420.0 0.649 2.326 0.572 0.000 0.000 0.000 3/25200 430.0 0.634 2.274 0.559 0.000 0.000 0.000 3/25200 440.0 0.620 2.224 0.546 0.000 0.000 0.000 3/25200 450.0 0.606 2.177 0.534 0.000 0.000 0.000 3/25200 460.0 0.593 2.132 0.523 0.000 0.000 0.000 3/25200 470.0 0.581 2.088 0.512 0.000 0.000 0.000 3/25200 480.0 0.569 2.047 0.501 0.000 0.000 0.000 3/25200 490.0 0.558 2.007 0.491 0.000 0.000 0.000 3/25200 500.0 0.547 1.968 0.482 0.000 0.000 0.000 3/25200 510.0 0.536 1.931 0.472 0.000 0.000 0.000 3/25200 520.0 0.526 1.896 0.464 0.000 0.000 0.000 3/25200 530.0 0.517 1.862 0.455 0.000 0.000 0.000 3/25200 540.0 0.507 1.829 0.447 0.000 0.000 0.000 3/25200 550.0 0.498 1.797 0.439 0.000 0.000 0.000 3/25200 560.0 0.490 1.767 0.431 0.000 0.000 0.000 3/25200 570.0 0.481 1.737 0.424 0.000 0.000 0.000 3/25200 580.0 0.473 1.709 0.417 0.000 0.000 0.000 3/25200 590.0 0.466 1.681 0.410 0.000 0.000 0.000 3/25200 600.0 0.458 1.655 0.403 0.000 0.000 0.000 3/25200 610.0 0.451 1.629 0.397 0.000 0.000 0.000 3/25200 620.0 0.444 1.604 0.390 0.000 0.000 0.000 3/25200 630.0 0.437 1.580 0.384 0.000 0.000 0.000 3/25200 640.0 0.430 1.556 0.378 0.000 0.000 0.000 3/25200 650.0 0.424 1.534 0.373 0.000 0.000 0.000 3/25200 660.0 0.418 1.512 0.367 0.000 0.000 0.000 3/25200 670.0 0.412 1.490 0.362 0.000 0.000 0.000 3/25200 680.0 0.406 1.469 0.357 0.000 0.000 0.000 3/25200 690.0 0.400 1.449 0.352 0.000 0.000 0.000 3/25200 700.0 0.394 1.430 0.347 0.000 0.000 0.000 3/25200 710.0 0.389 1.411 0.342 0.000 0.000 0.000 3/25200 720.0 0.384 1.392 0.337 0.000 0.000 0.000 3/25200 730.0 0.379 1.374 0.333 0.000 0.000 0.000 3/25200 740.0 0.374 1.356 0.329 0.000 0.000 0.000 3/25200 750.0 0.369 1.339 0.324 0.000 0.000 0.000 3/25200 760.0 0.364 1.322 0.320 0.000 0.000 0.000 3/25200 770.0 0.360 1.306 0.316 0.000 0.000 0.000 3/25200 780.0 0.355 1.290 0.312 0.000 0.000 0.000 3/25200 790.0 0.351 1.275 0.308 0.000 0.000 0.000 3/25200 800.0 0.347 1.260 0.305 0.000 0.000 0.000 3/25200 810.0 0.343 1.245 0.301 0.000 0.000 0.000 3/25200 820.0 0.338 1.231 0.297 0.000 0.000 0.000 3/25200 830.0 0.335 1.216 0.294 0.000 0.000 0.000 3/25200 840.0 0.331 1.203 0.290 0.000 0.000 0.000 3/25200 850.0 0.327 1.189 0.287 0.000 0.000 0.000 3/25200 860.0 0.323 1.176 0.284 0.000 0.000 0.000 3/25200 870.0 0.320 1.163 0.281 0.000 0.000 0.000 3/25200 880.0 0.316 1.151 0.278 0.000 0.000 0.000 3/25200 890.0 0.313 1.139 0.275 0.000 0.000 0.000 3/25200 900.0 0.309 1.127 0.272 0.000 0.000 0.000 3/25200 910.0 0.306 1.115 0.269 0.000 0.000 0.000 3/25200 920.0 0.303 1.103 0.266 0.000 0.000 0.000 3/25200 930.0 0.300 1.092 0.263 0.000 0.000 0.000 3/25200 940.0 0.297 1.081 0.260 0.000 0.000 0.000 3/25200 950.0 0.294 1.070 0.258 0.000 0.000 0.000 3/25200 960.0 0.291 1.060 0.255 0.000 0.000 0.000 3/25200 970.0 0.288 1.049 0.253 0.000 0.000 0.000 3/25200 980.0 0.285 1.039 0.250 0.000 0.000 0.000 3/25200 990.0 0.282 1.029 0.248 0.000 0.000 0.000 3/25200 1000.0 0.279 1.019 0.245 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m6105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:43:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|