----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:46:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.004863335000000 -5.970822985000000 0.000000000000000 b 3.004863335000000 5.970822985000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): *1 O 0.97445692670012 0.52554307329988 0.75000000000000 15.999 2 O 0.52554307329988 0.97445692670012 0.25000000000000 15.999 3 O 0.02554307329988 0.47445692670012 0.25000000000000 15.999 4 O 0.47445692670012 0.02554307329988 0.75000000000000 15.999 *5 O 0.39939560127191 0.60060439872809 0.86300613342484 15.999 6 O 0.60060439872809 0.39939560127191 0.13699386657516 15.999 7 O 0.10060439872809 0.89939560127191 0.36300613342484 15.999 *8 O 0.66835467526882 0.33164532473118 0.56228644732339 15.999 9 O 0.16835467526882 0.83164532473118 0.93771355267661 15.999 10 O 0.83164532473118 0.16835467526882 0.06228644732339 15.999 11 O 0.33164532473118 0.66835467526882 0.43771355267661 15.999 12 O 0.89939560127191 0.10060439872809 0.63699386657516 15.999 *13 Ti 0.75543967339874 0.24456032660126 0.66993806390995 47.867 14 Ti 0.74456032660126 0.25543967339874 0.16993806390995 47.867 15 Ti 0.24456032660126 0.75543967339874 0.33006193609005 47.867 16 Ti 0.25543967339874 0.74456032660126 0.83006193609005 47.867 *17 Rb 0.36747184919357 0.63252815080643 0.07413057760011 85.468 18 Rb 0.86747184919357 0.13252815080643 0.42586942239989 85.468 19 Rb 0.13252815080643 0.86747184919357 0.57413057760011 85.468 20 Rb 0.63252815080643 0.36747184919357 0.92586942239989 85.468 *21 Rb 0.44230551780769 0.55769448219231 0.63703367904055 85.468 22 Rb 0.55769448219231 0.44230551780769 0.36296632095945 85.468 23 Rb 0.05769448219231 0.94230551780769 0.13703367904055 85.468 24 Rb 0.94230551780769 0.05769448219231 0.86296632095945 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.009726670000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.941645970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): *1 O 0.25000000000000 0.27554307329988 0.75000000000000 15.999 > 1 2 O 0.75000000000000 0.22445692670012 0.25000000000000 15.999 > 2 3 O 0.25000000000000 0.22445692670012 0.25000000000000 15.999 > 3 4 O 0.75000000000000 0.27554307329988 0.75000000000000 15.999 > 4 *5 O 0.50000000000000 0.10060439872809 0.86300613342484 15.999 > 5 6 O 0.00000000000000 0.39939560127191 0.13699386657516 15.999 > 6 7 O 0.50000000000000 0.39939560127191 0.36300613342484 15.999 > 7 *8 O 0.00000000000000 0.33164532473118 0.56228644732339 15.999 > 8 9 O 0.50000000000000 0.33164532473118 0.93771355267661 15.999 > 9 10 O 0.00000000000000 0.16835467526882 0.06228644732339 15.999 > 10 11 O 0.50000000000000 0.16835467526882 0.43771355267661 15.999 > 11 12 O 0.00000000000000 0.10060439872809 0.63699386657516 15.999 > 12 13 O 0.75000000000000 0.77554307329988 0.75000000000000 15.999 > 1 14 O 0.25000000000000 0.72445692670012 0.25000000000000 15.999 > 2 15 O 0.75000000000000 0.72445692670012 0.25000000000000 15.999 > 3 16 O 0.25000000000000 0.77554307329988 0.75000000000000 15.999 > 4 17 O 0.00000000000000 0.60060439872809 0.86300613342484 15.999 > 5 18 O 0.50000000000000 0.89939560127191 0.13699386657516 15.999 > 6 19 O 0.00000000000000 0.89939560127191 0.36300613342484 15.999 > 7 20 O 0.50000000000000 0.83164532473118 0.56228644732339 15.999 > 8 21 O 0.00000000000000 0.83164532473118 0.93771355267661 15.999 > 9 22 O 0.50000000000000 0.66835467526882 0.06228644732339 15.999 > 10 23 O 0.00000000000000 0.66835467526882 0.43771355267661 15.999 > 11 24 O 0.50000000000000 0.60060439872809 0.63699386657516 15.999 > 12 *25 Ti 0.00000000000000 0.24456032660126 0.66993806390995 47.867 > 13 26 Ti 0.00000000000000 0.25543967339874 0.16993806390995 47.867 > 14 27 Ti 0.50000000000000 0.25543967339874 0.33006193609005 47.867 > 15 28 Ti 0.50000000000000 0.24456032660126 0.83006193609005 47.867 > 16 29 Ti 0.50000000000000 0.74456032660126 0.66993806390995 47.867 > 13 30 Ti 0.50000000000000 0.75543967339874 0.16993806390995 47.867 > 14 31 Ti 0.00000000000000 0.75543967339874 0.33006193609005 47.867 > 15 32 Ti 0.00000000000000 0.74456032660126 0.83006193609005 47.867 > 16 *33 Rb 0.50000000000000 0.13252815080643 0.07413057760011 85.468 > 17 34 Rb 0.00000000000000 0.13252815080643 0.42586942239989 85.468 > 18 35 Rb 0.50000000000000 0.36747184919357 0.57413057760011 85.468 > 19 36 Rb 0.00000000000000 0.36747184919357 0.92586942239989 85.468 > 20 *37 Rb 0.50000000000000 0.05769448219231 0.63703367904055 85.468 > 21 38 Rb 0.00000000000000 0.44230551780769 0.36296632095945 85.468 > 22 39 Rb 0.50000000000000 0.44230551780769 0.13703367904055 85.468 > 23 40 Rb 0.00000000000000 0.05769448219231 0.86296632095945 85.468 > 24 41 Rb 0.00000000000000 0.63252815080643 0.07413057760011 85.468 > 17 42 Rb 0.50000000000000 0.63252815080643 0.42586942239989 85.468 > 18 43 Rb 0.00000000000000 0.86747184919357 0.57413057760011 85.468 > 19 44 Rb 0.50000000000000 0.86747184919357 0.92586942239989 85.468 > 20 45 Rb 0.00000000000000 0.55769448219231 0.63703367904055 85.468 > 21 46 Rb 0.50000000000000 0.94230551780769 0.36296632095945 85.468 > 22 47 Rb 0.00000000000000 0.94230551780769 0.13703367904055 85.468 > 23 48 Rb 0.50000000000000 0.55769448219231 0.86296632095945 85.468 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.019453340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.941645970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): *1 O 0.12500000000000 0.27554307329988 0.75000000000000 15.999 > 1 2 O 0.62500000000000 0.27554307329988 0.75000000000000 15.999 > 1 3 O 0.37500000000000 0.22445692670012 0.25000000000000 15.999 > 2 4 O 0.87500000000000 0.22445692670012 0.25000000000000 15.999 > 2 5 O 0.12500000000000 0.22445692670012 0.25000000000000 15.999 > 3 6 O 0.62500000000000 0.22445692670012 0.25000000000000 15.999 > 3 7 O 0.37500000000000 0.27554307329988 0.75000000000000 15.999 > 4 8 O 0.87500000000000 0.27554307329988 0.75000000000000 15.999 > 4 *9 O 0.25000000000000 0.10060439872809 0.86300613342484 15.999 > 5 10 O 0.75000000000000 0.10060439872809 0.86300613342484 15.999 > 5 11 O 0.00000000000000 0.39939560127191 0.13699386657516 15.999 > 6 12 O 0.50000000000000 0.39939560127191 0.13699386657516 15.999 > 6 13 O 0.25000000000000 0.39939560127191 0.36300613342484 15.999 > 7 14 O 0.75000000000000 0.39939560127191 0.36300613342484 15.999 > 7 *15 O 0.00000000000000 0.33164532473118 0.56228644732339 15.999 > 8 16 O 0.50000000000000 0.33164532473118 0.56228644732339 15.999 > 8 17 O 0.25000000000000 0.33164532473118 0.93771355267661 15.999 > 9 18 O 0.75000000000000 0.33164532473118 0.93771355267661 15.999 > 9 19 O 0.00000000000000 0.16835467526882 0.06228644732339 15.999 > 10 20 O 0.50000000000000 0.16835467526882 0.06228644732339 15.999 > 10 21 O 0.25000000000000 0.16835467526882 0.43771355267661 15.999 > 11 22 O 0.75000000000000 0.16835467526882 0.43771355267661 15.999 > 11 23 O 0.00000000000000 0.10060439872809 0.63699386657516 15.999 > 12 24 O 0.50000000000000 0.10060439872809 0.63699386657516 15.999 > 12 25 O 0.37500000000000 0.77554307329988 0.75000000000000 15.999 > 1 26 O 0.87500000000000 0.77554307329988 0.75000000000000 15.999 > 1 27 O 0.12500000000000 0.72445692670012 0.25000000000000 15.999 > 2 28 O 0.62500000000000 0.72445692670012 0.25000000000000 15.999 > 2 29 O 0.37500000000000 0.72445692670012 0.25000000000000 15.999 > 3 30 O 0.87500000000000 0.72445692670012 0.25000000000000 15.999 > 3 31 O 0.12500000000000 0.77554307329988 0.75000000000000 15.999 > 4 32 O 0.62500000000000 0.77554307329988 0.75000000000000 15.999 > 4 33 O 0.00000000000000 0.60060439872809 0.86300613342484 15.999 > 5 34 O 0.50000000000000 0.60060439872809 0.86300613342484 15.999 > 5 35 O 0.25000000000000 0.89939560127191 0.13699386657516 15.999 > 6 36 O 0.75000000000000 0.89939560127191 0.13699386657516 15.999 > 6 37 O 0.00000000000000 0.89939560127191 0.36300613342484 15.999 > 7 38 O 0.50000000000000 0.89939560127191 0.36300613342484 15.999 > 7 39 O 0.25000000000000 0.83164532473118 0.56228644732339 15.999 > 8 40 O 0.75000000000000 0.83164532473118 0.56228644732339 15.999 > 8 41 O 0.00000000000000 0.83164532473118 0.93771355267661 15.999 > 9 42 O 0.50000000000000 0.83164532473118 0.93771355267661 15.999 > 9 43 O 0.25000000000000 0.66835467526882 0.06228644732339 15.999 > 10 44 O 0.75000000000000 0.66835467526882 0.06228644732339 15.999 > 10 45 O 0.00000000000000 0.66835467526882 0.43771355267661 15.999 > 11 46 O 0.50000000000000 0.66835467526882 0.43771355267661 15.999 > 11 47 O 0.25000000000000 0.60060439872809 0.63699386657516 15.999 > 12 48 O 0.75000000000000 0.60060439872809 0.63699386657516 15.999 > 12 *49 Ti 0.00000000000000 0.24456032660126 0.66993806390995 47.867 > 13 50 Ti 0.50000000000000 0.24456032660126 0.66993806390995 47.867 > 13 51 Ti 0.00000000000000 0.25543967339874 0.16993806390995 47.867 > 14 52 Ti 0.50000000000000 0.25543967339874 0.16993806390995 47.867 > 14 53 Ti 0.25000000000000 0.25543967339874 0.33006193609005 47.867 > 15 54 Ti 0.75000000000000 0.25543967339874 0.33006193609005 47.867 > 15 55 Ti 0.25000000000000 0.24456032660126 0.83006193609005 47.867 > 16 56 Ti 0.75000000000000 0.24456032660126 0.83006193609005 47.867 > 16 57 Ti 0.25000000000000 0.74456032660126 0.66993806390995 47.867 > 13 58 Ti 0.75000000000000 0.74456032660126 0.66993806390995 47.867 > 13 59 Ti 0.25000000000000 0.75543967339874 0.16993806390995 47.867 > 14 60 Ti 0.75000000000000 0.75543967339874 0.16993806390995 47.867 > 14 61 Ti 0.00000000000000 0.75543967339874 0.33006193609005 47.867 > 15 62 Ti 0.50000000000000 0.75543967339874 0.33006193609005 47.867 > 15 63 Ti 0.00000000000000 0.74456032660126 0.83006193609005 47.867 > 16 64 Ti 0.50000000000000 0.74456032660126 0.83006193609005 47.867 > 16 *65 Rb 0.25000000000000 0.13252815080643 0.07413057760011 85.468 > 17 66 Rb 0.75000000000000 0.13252815080643 0.07413057760011 85.468 > 17 67 Rb 0.00000000000000 0.13252815080643 0.42586942239989 85.468 > 18 68 Rb 0.50000000000000 0.13252815080643 0.42586942239989 85.468 > 18 69 Rb 0.25000000000000 0.36747184919357 0.57413057760011 85.468 > 19 70 Rb 0.75000000000000 0.36747184919357 0.57413057760011 85.468 > 19 71 Rb 0.00000000000000 0.36747184919357 0.92586942239989 85.468 > 20 72 Rb 0.50000000000000 0.36747184919357 0.92586942239989 85.468 > 20 *73 Rb 0.25000000000000 0.05769448219231 0.63703367904055 85.468 > 21 74 Rb 0.75000000000000 0.05769448219231 0.63703367904055 85.468 > 21 75 Rb 0.00000000000000 0.44230551780769 0.36296632095945 85.468 > 22 76 Rb 0.50000000000000 0.44230551780769 0.36296632095945 85.468 > 22 77 Rb 0.25000000000000 0.44230551780769 0.13703367904055 85.468 > 23 78 Rb 0.75000000000000 0.44230551780769 0.13703367904055 85.468 > 23 79 Rb 0.00000000000000 0.05769448219231 0.86296632095945 85.468 > 24 80 Rb 0.50000000000000 0.05769448219231 0.86296632095945 85.468 > 24 81 Rb 0.00000000000000 0.63252815080643 0.07413057760011 85.468 > 17 82 Rb 0.50000000000000 0.63252815080643 0.07413057760011 85.468 > 17 83 Rb 0.25000000000000 0.63252815080643 0.42586942239989 85.468 > 18 84 Rb 0.75000000000000 0.63252815080643 0.42586942239989 85.468 > 18 85 Rb 0.00000000000000 0.86747184919357 0.57413057760011 85.468 > 19 86 Rb 0.50000000000000 0.86747184919357 0.57413057760011 85.468 > 19 87 Rb 0.25000000000000 0.86747184919357 0.92586942239989 85.468 > 20 88 Rb 0.75000000000000 0.86747184919357 0.92586942239989 85.468 > 20 89 Rb 0.00000000000000 0.55769448219231 0.63703367904055 85.468 > 21 90 Rb 0.50000000000000 0.55769448219231 0.63703367904055 85.468 > 21 91 Rb 0.25000000000000 0.94230551780769 0.36296632095945 85.468 > 22 92 Rb 0.75000000000000 0.94230551780769 0.36296632095945 85.468 > 22 93 Rb 0.00000000000000 0.94230551780769 0.13703367904055 85.468 > 23 94 Rb 0.50000000000000 0.94230551780769 0.13703367904055 85.468 > 23 95 Rb 0.25000000000000 0.55769448219231 0.86296632095945 85.468 > 24 96 Rb 0.75000000000000 0.55769448219231 0.86296632095945 85.468 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0803583 0.0000000 0.0000000 0.0000000 2.9716987 0.0000000 0.0000000 0.0000000 3.0946497 -------------------------- Born effective charges -------------------------- 1 O -3.4551485 0.0000000 -1.6710103 0.0000000 -0.8258480 -0.0000000 -1.4680909 -0.0000000 -2.0970731 2 O -3.4551485 0.0000000 1.6710103 0.0000000 -0.8258480 -0.0000000 1.4680909 -0.0000000 -2.0970731 3 O -3.4551485 0.0000000 -1.6710103 0.0000000 -0.8258480 -0.0000000 -1.4680909 -0.0000000 -2.0970731 4 O -3.4551485 0.0000000 1.6710103 0.0000000 -0.8258480 -0.0000000 1.4680909 -0.0000000 -2.0970731 5 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 0.4252097 0.0000000 0.5180609 -1.3474564 6 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 0.4252097 0.0000000 0.5180609 -1.3474564 7 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 -0.4252097 0.0000000 -0.5180609 -1.3474564 8 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 0.8738658 0.0000000 0.8689527 -2.4052190 9 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 -0.8738658 0.0000000 -0.8689527 -2.4052190 10 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 -0.8738658 0.0000000 -0.8689527 -2.4052190 11 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 0.8738658 0.0000000 0.8689527 -2.4052190 12 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 -0.4252097 0.0000000 -0.5180609 -1.3474564 13 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 -0.3551300 0.0000000 0.0283795 3.2858359 14 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 0.3551300 0.0000000 -0.0283795 3.2858359 15 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 -0.3551300 0.0000000 0.0283795 3.2858359 16 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 0.3551300 0.0000000 -0.0283795 3.2858359 17 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 -0.1242416 0.0000000 -0.0865556 1.3523404 18 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 0.1242416 0.0000000 0.0865556 1.3523404 19 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 0.1242416 0.0000000 0.0865556 1.3523404 20 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 -0.1242416 0.0000000 -0.0865556 1.3523404 21 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 0.1023978 0.0000000 -0.0248959 1.2115722 22 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 0.1023978 0.0000000 -0.0248959 1.2115722 23 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 -0.1023978 0.0000000 0.0248959 1.2115722 24 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 -0.1023978 0.0000000 0.0248959 1.2115722 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1426), data: False |-- (184, 184), data: True |-- (192, 190), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (384, 374), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.278 Solver_block: 200 / 400 - Time: 0.262 Solver_block: 300 / 400 - Time: 0.261 Solver_block: 400 / 400 - Time: 0.261 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1426), data: False |-- (184, 184), data: True |-- (192, 190), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (384, 374), 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 2026-01-07 20:46:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:46:32]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.004863335000000 -5.970822985000000 0.000000000000000 b 3.004863335000000 5.970822985000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): 1 O 0.97445692670012 0.52554307329988 0.75000000000000 15.999 2 O 0.52554307329988 0.97445692670012 0.25000000000000 15.999 3 O 0.02554307329988 0.47445692670012 0.25000000000000 15.999 4 O 0.47445692670012 0.02554307329988 0.75000000000000 15.999 5 O 0.39939560127191 0.60060439872809 0.86300613342484 15.999 6 O 0.60060439872809 0.39939560127191 0.13699386657516 15.999 7 O 0.10060439872809 0.89939560127191 0.36300613342484 15.999 8 O 0.66835467526882 0.33164532473118 0.56228644732339 15.999 9 O 0.16835467526882 0.83164532473118 0.93771355267661 15.999 10 O 0.83164532473118 0.16835467526882 0.06228644732339 15.999 11 O 0.33164532473118 0.66835467526882 0.43771355267661 15.999 12 O 0.89939560127191 0.10060439872809 0.63699386657516 15.999 13 Ti 0.75543967339874 0.24456032660126 0.66993806390995 47.867 14 Ti 0.74456032660126 0.25543967339874 0.16993806390995 47.867 15 Ti 0.24456032660126 0.75543967339874 0.33006193609005 47.867 16 Ti 0.25543967339874 0.74456032660126 0.83006193609005 47.867 17 Rb 0.36747184919357 0.63252815080643 0.07413057760011 85.468 18 Rb 0.86747184919357 0.13252815080643 0.42586942239989 85.468 19 Rb 0.13252815080643 0.86747184919357 0.57413057760011 85.468 20 Rb 0.63252815080643 0.36747184919357 0.92586942239989 85.468 21 Rb 0.44230551780769 0.55769448219231 0.63703367904055 85.468 22 Rb 0.55769448219231 0.44230551780769 0.36296632095945 85.468 23 Rb 0.05769448219231 0.94230551780769 0.13703367904055 85.468 24 Rb 0.94230551780769 0.05769448219231 0.86296632095945 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.019453340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.941645970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): 1 O 0.12500000000000 0.27554307329988 0.75000000000000 15.999 > 1 2 O 0.62500000000000 0.27554307329988 0.75000000000000 15.999 > 1 3 O 0.37500000000000 0.22445692670012 0.25000000000000 15.999 > 3 4 O 0.87500000000000 0.22445692670012 0.25000000000000 15.999 > 3 5 O 0.12500000000000 0.22445692670012 0.25000000000000 15.999 > 5 6 O 0.62500000000000 0.22445692670012 0.25000000000000 15.999 > 5 7 O 0.37500000000000 0.27554307329988 0.75000000000000 15.999 > 7 8 O 0.87500000000000 0.27554307329988 0.75000000000000 15.999 > 7 9 O 0.25000000000000 0.10060439872809 0.86300613342484 15.999 > 9 10 O 0.75000000000000 0.10060439872809 0.86300613342484 15.999 > 9 11 O 0.00000000000000 0.39939560127191 0.13699386657516 15.999 > 11 12 O 0.50000000000000 0.39939560127191 0.13699386657516 15.999 > 11 13 O 0.25000000000000 0.39939560127191 0.36300613342484 15.999 > 13 14 O 0.75000000000000 0.39939560127191 0.36300613342484 15.999 > 13 15 O 0.00000000000000 0.33164532473118 0.56228644732339 15.999 > 15 16 O 0.50000000000000 0.33164532473118 0.56228644732339 15.999 > 15 17 O 0.25000000000000 0.33164532473118 0.93771355267661 15.999 > 17 18 O 0.75000000000000 0.33164532473118 0.93771355267661 15.999 > 17 19 O 0.00000000000000 0.16835467526882 0.06228644732339 15.999 > 19 20 O 0.50000000000000 0.16835467526882 0.06228644732339 15.999 > 19 21 O 0.25000000000000 0.16835467526882 0.43771355267661 15.999 > 21 22 O 0.75000000000000 0.16835467526882 0.43771355267661 15.999 > 21 23 O 0.00000000000000 0.10060439872809 0.63699386657516 15.999 > 23 24 O 0.50000000000000 0.10060439872809 0.63699386657516 15.999 > 23 25 O 0.37500000000000 0.77554307329988 0.75000000000000 15.999 > 1 26 O 0.87500000000000 0.77554307329988 0.75000000000000 15.999 > 1 27 O 0.12500000000000 0.72445692670012 0.25000000000000 15.999 > 3 28 O 0.62500000000000 0.72445692670012 0.25000000000000 15.999 > 3 29 O 0.37500000000000 0.72445692670012 0.25000000000000 15.999 > 5 30 O 0.87500000000000 0.72445692670012 0.25000000000000 15.999 > 5 31 O 0.12500000000000 0.77554307329988 0.75000000000000 15.999 > 7 32 O 0.62500000000000 0.77554307329988 0.75000000000000 15.999 > 7 33 O 0.00000000000000 0.60060439872809 0.86300613342484 15.999 > 9 34 O 0.50000000000000 0.60060439872809 0.86300613342484 15.999 > 9 35 O 0.25000000000000 0.89939560127191 0.13699386657516 15.999 > 11 36 O 0.75000000000000 0.89939560127191 0.13699386657516 15.999 > 11 37 O 0.00000000000000 0.89939560127191 0.36300613342484 15.999 > 13 38 O 0.50000000000000 0.89939560127191 0.36300613342484 15.999 > 13 39 O 0.25000000000000 0.83164532473118 0.56228644732339 15.999 > 15 40 O 0.75000000000000 0.83164532473118 0.56228644732339 15.999 > 15 41 O 0.00000000000000 0.83164532473118 0.93771355267661 15.999 > 17 42 O 0.50000000000000 0.83164532473118 0.93771355267661 15.999 > 17 43 O 0.25000000000000 0.66835467526882 0.06228644732339 15.999 > 19 44 O 0.75000000000000 0.66835467526882 0.06228644732339 15.999 > 19 45 O 0.00000000000000 0.66835467526882 0.43771355267661 15.999 > 21 46 O 0.50000000000000 0.66835467526882 0.43771355267661 15.999 > 21 47 O 0.25000000000000 0.60060439872809 0.63699386657516 15.999 > 23 48 O 0.75000000000000 0.60060439872809 0.63699386657516 15.999 > 23 49 Ti 0.00000000000000 0.24456032660126 0.66993806390995 47.867 > 49 50 Ti 0.50000000000000 0.24456032660126 0.66993806390995 47.867 > 49 51 Ti 0.00000000000000 0.25543967339874 0.16993806390995 47.867 > 51 52 Ti 0.50000000000000 0.25543967339874 0.16993806390995 47.867 > 51 53 Ti 0.25000000000000 0.25543967339874 0.33006193609005 47.867 > 53 54 Ti 0.75000000000000 0.25543967339874 0.33006193609005 47.867 > 53 55 Ti 0.25000000000000 0.24456032660126 0.83006193609005 47.867 > 55 56 Ti 0.75000000000000 0.24456032660126 0.83006193609005 47.867 > 55 57 Ti 0.25000000000000 0.74456032660126 0.66993806390995 47.867 > 49 58 Ti 0.75000000000000 0.74456032660126 0.66993806390995 47.867 > 49 59 Ti 0.25000000000000 0.75543967339874 0.16993806390995 47.867 > 51 60 Ti 0.75000000000000 0.75543967339874 0.16993806390995 47.867 > 51 61 Ti 0.00000000000000 0.75543967339874 0.33006193609005 47.867 > 53 62 Ti 0.50000000000000 0.75543967339874 0.33006193609005 47.867 > 53 63 Ti 0.00000000000000 0.74456032660126 0.83006193609005 47.867 > 55 64 Ti 0.50000000000000 0.74456032660126 0.83006193609005 47.867 > 55 65 Rb 0.25000000000000 0.13252815080643 0.07413057760011 85.468 > 65 66 Rb 0.75000000000000 0.13252815080643 0.07413057760011 85.468 > 65 67 Rb 0.00000000000000 0.13252815080643 0.42586942239989 85.468 > 67 68 Rb 0.50000000000000 0.13252815080643 0.42586942239989 85.468 > 67 69 Rb 0.25000000000000 0.36747184919357 0.57413057760011 85.468 > 69 70 Rb 0.75000000000000 0.36747184919357 0.57413057760011 85.468 > 69 71 Rb 0.00000000000000 0.36747184919357 0.92586942239989 85.468 > 71 72 Rb 0.50000000000000 0.36747184919357 0.92586942239989 85.468 > 71 73 Rb 0.25000000000000 0.05769448219231 0.63703367904055 85.468 > 73 74 Rb 0.75000000000000 0.05769448219231 0.63703367904055 85.468 > 73 75 Rb 0.00000000000000 0.44230551780769 0.36296632095945 85.468 > 75 76 Rb 0.50000000000000 0.44230551780769 0.36296632095945 85.468 > 75 77 Rb 0.25000000000000 0.44230551780769 0.13703367904055 85.468 > 77 78 Rb 0.75000000000000 0.44230551780769 0.13703367904055 85.468 > 77 79 Rb 0.00000000000000 0.05769448219231 0.86296632095945 85.468 > 79 80 Rb 0.50000000000000 0.05769448219231 0.86296632095945 85.468 > 79 81 Rb 0.00000000000000 0.63252815080643 0.07413057760011 85.468 > 65 82 Rb 0.50000000000000 0.63252815080643 0.07413057760011 85.468 > 65 83 Rb 0.25000000000000 0.63252815080643 0.42586942239989 85.468 > 67 84 Rb 0.75000000000000 0.63252815080643 0.42586942239989 85.468 > 67 85 Rb 0.00000000000000 0.86747184919357 0.57413057760011 85.468 > 69 86 Rb 0.50000000000000 0.86747184919357 0.57413057760011 85.468 > 69 87 Rb 0.25000000000000 0.86747184919357 0.92586942239989 85.468 > 71 88 Rb 0.75000000000000 0.86747184919357 0.92586942239989 85.468 > 71 89 Rb 0.00000000000000 0.55769448219231 0.63703367904055 85.468 > 73 90 Rb 0.50000000000000 0.55769448219231 0.63703367904055 85.468 > 73 91 Rb 0.25000000000000 0.94230551780769 0.36296632095945 85.468 > 75 92 Rb 0.75000000000000 0.94230551780769 0.36296632095945 85.468 > 75 93 Rb 0.00000000000000 0.94230551780769 0.13703367904055 85.468 > 77 94 Rb 0.50000000000000 0.94230551780769 0.13703367904055 85.468 > 77 95 Rb 0.25000000000000 0.55769448219231 0.86296632095945 85.468 > 79 96 Rb 0.75000000000000 0.55769448219231 0.86296632095945 85.468 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0803583 0.0000000 0.0000000 0.0000000 2.9716987 0.0000000 0.0000000 0.0000000 3.0946497 -------------------------- Born effective charges -------------------------- 1 O -3.4551485 0.0000000 -1.6710103 0.0000000 -0.8258480 -0.0000000 -1.4680909 -0.0000000 -2.0970731 2 O -3.4551485 0.0000000 1.6710103 0.0000000 -0.8258480 -0.0000000 1.4680909 -0.0000000 -2.0970731 3 O -3.4551485 0.0000000 -1.6710103 0.0000000 -0.8258480 -0.0000000 -1.4680909 -0.0000000 -2.0970731 4 O -3.4551485 0.0000000 1.6710103 0.0000000 -0.8258480 -0.0000000 1.4680909 -0.0000000 -2.0970731 5 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 0.4252097 0.0000000 0.5180609 -1.3474564 6 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 0.4252097 0.0000000 0.5180609 -1.3474564 7 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 -0.4252097 0.0000000 -0.5180609 -1.3474564 8 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 0.8738658 0.0000000 0.8689527 -2.4052190 9 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 -0.8738658 0.0000000 -0.8689527 -2.4052190 10 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 -0.8738658 0.0000000 -0.8689527 -2.4052190 11 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 0.8738658 0.0000000 0.8689527 -2.4052190 12 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 -0.4252097 0.0000000 -0.5180609 -1.3474564 13 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 -0.3551300 0.0000000 0.0283795 3.2858359 14 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 0.3551300 0.0000000 -0.0283795 3.2858359 15 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 -0.3551300 0.0000000 0.0283795 3.2858359 16 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 0.3551300 0.0000000 -0.0283795 3.2858359 17 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 -0.1242416 0.0000000 -0.0865556 1.3523404 18 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 0.1242416 0.0000000 0.0865556 1.3523404 19 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 0.1242416 0.0000000 0.0865556 1.3523404 20 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 -0.1242416 0.0000000 -0.0865556 1.3523404 21 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 0.1023978 0.0000000 -0.0248959 1.2115722 22 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 0.1023978 0.0000000 -0.0248959 1.2115722 23 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 -0.1023978 0.0000000 0.0248959 1.2115722 24 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 -0.1023978 0.0000000 0.0248959 1.2115722 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 15, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:46:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:46:46]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.004863335000000 -5.970822985000000 0.000000000000000 b 3.004863335000000 5.970822985000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): 1 O 0.97445692670012 0.52554307329988 0.75000000000000 15.999 2 O 0.52554307329988 0.97445692670012 0.25000000000000 15.999 3 O 0.02554307329988 0.47445692670012 0.25000000000000 15.999 4 O 0.47445692670012 0.02554307329988 0.75000000000000 15.999 5 O 0.39939560127191 0.60060439872809 0.86300613342484 15.999 6 O 0.60060439872809 0.39939560127191 0.13699386657516 15.999 7 O 0.10060439872809 0.89939560127191 0.36300613342484 15.999 8 O 0.66835467526882 0.33164532473118 0.56228644732339 15.999 9 O 0.16835467526882 0.83164532473118 0.93771355267661 15.999 10 O 0.83164532473118 0.16835467526882 0.06228644732339 15.999 11 O 0.33164532473118 0.66835467526882 0.43771355267661 15.999 12 O 0.89939560127191 0.10060439872809 0.63699386657516 15.999 13 Ti 0.75543967339874 0.24456032660126 0.66993806390995 47.867 14 Ti 0.74456032660126 0.25543967339874 0.16993806390995 47.867 15 Ti 0.24456032660126 0.75543967339874 0.33006193609005 47.867 16 Ti 0.25543967339874 0.74456032660126 0.83006193609005 47.867 17 Rb 0.36747184919357 0.63252815080643 0.07413057760011 85.468 18 Rb 0.86747184919357 0.13252815080643 0.42586942239989 85.468 19 Rb 0.13252815080643 0.86747184919357 0.57413057760011 85.468 20 Rb 0.63252815080643 0.36747184919357 0.92586942239989 85.468 21 Rb 0.44230551780769 0.55769448219231 0.63703367904055 85.468 22 Rb 0.55769448219231 0.44230551780769 0.36296632095945 85.468 23 Rb 0.05769448219231 0.94230551780769 0.13703367904055 85.468 24 Rb 0.94230551780769 0.05769448219231 0.86296632095945 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.019453340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.941645970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.340102600000000 Atomic positions (fractional): 1 O 0.12500000000000 0.27554307329988 0.75000000000000 15.999 > 1 2 O 0.62500000000000 0.27554307329988 0.75000000000000 15.999 > 1 3 O 0.37500000000000 0.22445692670012 0.25000000000000 15.999 > 3 4 O 0.87500000000000 0.22445692670012 0.25000000000000 15.999 > 3 5 O 0.12500000000000 0.22445692670012 0.25000000000000 15.999 > 5 6 O 0.62500000000000 0.22445692670012 0.25000000000000 15.999 > 5 7 O 0.37500000000000 0.27554307329988 0.75000000000000 15.999 > 7 8 O 0.87500000000000 0.27554307329988 0.75000000000000 15.999 > 7 9 O 0.25000000000000 0.10060439872809 0.86300613342484 15.999 > 9 10 O 0.75000000000000 0.10060439872809 0.86300613342484 15.999 > 9 11 O 0.00000000000000 0.39939560127191 0.13699386657516 15.999 > 11 12 O 0.50000000000000 0.39939560127191 0.13699386657516 15.999 > 11 13 O 0.25000000000000 0.39939560127191 0.36300613342484 15.999 > 13 14 O 0.75000000000000 0.39939560127191 0.36300613342484 15.999 > 13 15 O 0.00000000000000 0.33164532473118 0.56228644732339 15.999 > 15 16 O 0.50000000000000 0.33164532473118 0.56228644732339 15.999 > 15 17 O 0.25000000000000 0.33164532473118 0.93771355267661 15.999 > 17 18 O 0.75000000000000 0.33164532473118 0.93771355267661 15.999 > 17 19 O 0.00000000000000 0.16835467526882 0.06228644732339 15.999 > 19 20 O 0.50000000000000 0.16835467526882 0.06228644732339 15.999 > 19 21 O 0.25000000000000 0.16835467526882 0.43771355267661 15.999 > 21 22 O 0.75000000000000 0.16835467526882 0.43771355267661 15.999 > 21 23 O 0.00000000000000 0.10060439872809 0.63699386657516 15.999 > 23 24 O 0.50000000000000 0.10060439872809 0.63699386657516 15.999 > 23 25 O 0.37500000000000 0.77554307329988 0.75000000000000 15.999 > 1 26 O 0.87500000000000 0.77554307329988 0.75000000000000 15.999 > 1 27 O 0.12500000000000 0.72445692670012 0.25000000000000 15.999 > 3 28 O 0.62500000000000 0.72445692670012 0.25000000000000 15.999 > 3 29 O 0.37500000000000 0.72445692670012 0.25000000000000 15.999 > 5 30 O 0.87500000000000 0.72445692670012 0.25000000000000 15.999 > 5 31 O 0.12500000000000 0.77554307329988 0.75000000000000 15.999 > 7 32 O 0.62500000000000 0.77554307329988 0.75000000000000 15.999 > 7 33 O 0.00000000000000 0.60060439872809 0.86300613342484 15.999 > 9 34 O 0.50000000000000 0.60060439872809 0.86300613342484 15.999 > 9 35 O 0.25000000000000 0.89939560127191 0.13699386657516 15.999 > 11 36 O 0.75000000000000 0.89939560127191 0.13699386657516 15.999 > 11 37 O 0.00000000000000 0.89939560127191 0.36300613342484 15.999 > 13 38 O 0.50000000000000 0.89939560127191 0.36300613342484 15.999 > 13 39 O 0.25000000000000 0.83164532473118 0.56228644732339 15.999 > 15 40 O 0.75000000000000 0.83164532473118 0.56228644732339 15.999 > 15 41 O 0.00000000000000 0.83164532473118 0.93771355267661 15.999 > 17 42 O 0.50000000000000 0.83164532473118 0.93771355267661 15.999 > 17 43 O 0.25000000000000 0.66835467526882 0.06228644732339 15.999 > 19 44 O 0.75000000000000 0.66835467526882 0.06228644732339 15.999 > 19 45 O 0.00000000000000 0.66835467526882 0.43771355267661 15.999 > 21 46 O 0.50000000000000 0.66835467526882 0.43771355267661 15.999 > 21 47 O 0.25000000000000 0.60060439872809 0.63699386657516 15.999 > 23 48 O 0.75000000000000 0.60060439872809 0.63699386657516 15.999 > 23 49 Ti 0.00000000000000 0.24456032660126 0.66993806390995 47.867 > 49 50 Ti 0.50000000000000 0.24456032660126 0.66993806390995 47.867 > 49 51 Ti 0.00000000000000 0.25543967339874 0.16993806390995 47.867 > 51 52 Ti 0.50000000000000 0.25543967339874 0.16993806390995 47.867 > 51 53 Ti 0.25000000000000 0.25543967339874 0.33006193609005 47.867 > 53 54 Ti 0.75000000000000 0.25543967339874 0.33006193609005 47.867 > 53 55 Ti 0.25000000000000 0.24456032660126 0.83006193609005 47.867 > 55 56 Ti 0.75000000000000 0.24456032660126 0.83006193609005 47.867 > 55 57 Ti 0.25000000000000 0.74456032660126 0.66993806390995 47.867 > 49 58 Ti 0.75000000000000 0.74456032660126 0.66993806390995 47.867 > 49 59 Ti 0.25000000000000 0.75543967339874 0.16993806390995 47.867 > 51 60 Ti 0.75000000000000 0.75543967339874 0.16993806390995 47.867 > 51 61 Ti 0.00000000000000 0.75543967339874 0.33006193609005 47.867 > 53 62 Ti 0.50000000000000 0.75543967339874 0.33006193609005 47.867 > 53 63 Ti 0.00000000000000 0.74456032660126 0.83006193609005 47.867 > 55 64 Ti 0.50000000000000 0.74456032660126 0.83006193609005 47.867 > 55 65 Rb 0.25000000000000 0.13252815080643 0.07413057760011 85.468 > 65 66 Rb 0.75000000000000 0.13252815080643 0.07413057760011 85.468 > 65 67 Rb 0.00000000000000 0.13252815080643 0.42586942239989 85.468 > 67 68 Rb 0.50000000000000 0.13252815080643 0.42586942239989 85.468 > 67 69 Rb 0.25000000000000 0.36747184919357 0.57413057760011 85.468 > 69 70 Rb 0.75000000000000 0.36747184919357 0.57413057760011 85.468 > 69 71 Rb 0.00000000000000 0.36747184919357 0.92586942239989 85.468 > 71 72 Rb 0.50000000000000 0.36747184919357 0.92586942239989 85.468 > 71 73 Rb 0.25000000000000 0.05769448219231 0.63703367904055 85.468 > 73 74 Rb 0.75000000000000 0.05769448219231 0.63703367904055 85.468 > 73 75 Rb 0.00000000000000 0.44230551780769 0.36296632095945 85.468 > 75 76 Rb 0.50000000000000 0.44230551780769 0.36296632095945 85.468 > 75 77 Rb 0.25000000000000 0.44230551780769 0.13703367904055 85.468 > 77 78 Rb 0.75000000000000 0.44230551780769 0.13703367904055 85.468 > 77 79 Rb 0.00000000000000 0.05769448219231 0.86296632095945 85.468 > 79 80 Rb 0.50000000000000 0.05769448219231 0.86296632095945 85.468 > 79 81 Rb 0.00000000000000 0.63252815080643 0.07413057760011 85.468 > 65 82 Rb 0.50000000000000 0.63252815080643 0.07413057760011 85.468 > 65 83 Rb 0.25000000000000 0.63252815080643 0.42586942239989 85.468 > 67 84 Rb 0.75000000000000 0.63252815080643 0.42586942239989 85.468 > 67 85 Rb 0.00000000000000 0.86747184919357 0.57413057760011 85.468 > 69 86 Rb 0.50000000000000 0.86747184919357 0.57413057760011 85.468 > 69 87 Rb 0.25000000000000 0.86747184919357 0.92586942239989 85.468 > 71 88 Rb 0.75000000000000 0.86747184919357 0.92586942239989 85.468 > 71 89 Rb 0.00000000000000 0.55769448219231 0.63703367904055 85.468 > 73 90 Rb 0.50000000000000 0.55769448219231 0.63703367904055 85.468 > 73 91 Rb 0.25000000000000 0.94230551780769 0.36296632095945 85.468 > 75 92 Rb 0.75000000000000 0.94230551780769 0.36296632095945 85.468 > 75 93 Rb 0.00000000000000 0.94230551780769 0.13703367904055 85.468 > 77 94 Rb 0.50000000000000 0.94230551780769 0.13703367904055 85.468 > 77 95 Rb 0.25000000000000 0.55769448219231 0.86296632095945 85.468 > 79 96 Rb 0.75000000000000 0.55769448219231 0.86296632095945 85.468 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0803583 0.0000000 0.0000000 0.0000000 2.9716987 0.0000000 0.0000000 0.0000000 3.0946497 -------------------------- Born effective charges -------------------------- 1 O -3.4551485 0.0000000 -1.6710103 0.0000000 -0.8258480 -0.0000000 -1.4680909 -0.0000000 -2.0970731 2 O -3.4551485 0.0000000 1.6710103 0.0000000 -0.8258480 -0.0000000 1.4680909 -0.0000000 -2.0970731 3 O -3.4551485 0.0000000 -1.6710103 0.0000000 -0.8258480 -0.0000000 -1.4680909 -0.0000000 -2.0970731 4 O -3.4551485 0.0000000 1.6710103 0.0000000 -0.8258480 -0.0000000 1.4680909 -0.0000000 -2.0970731 5 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 0.4252097 0.0000000 0.5180609 -1.3474564 6 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 0.4252097 0.0000000 0.5180609 -1.3474564 7 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 -0.4252097 0.0000000 -0.5180609 -1.3474564 8 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 0.8738658 0.0000000 0.8689527 -2.4052190 9 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 -0.8738658 0.0000000 -0.8689527 -2.4052190 10 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 -0.8738658 0.0000000 -0.8689527 -2.4052190 11 O -1.3000056 0.0000000 0.0000000 0.0000000 -1.8993584 0.8738658 0.0000000 0.8689527 -2.4052190 12 O -1.2567438 0.0000000 0.0000000 0.0000000 -2.6185251 -0.4252097 0.0000000 -0.5180609 -1.3474564 13 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 -0.3551300 0.0000000 0.0283795 3.2858359 14 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 0.3551300 0.0000000 -0.0283795 3.2858359 15 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 -0.3551300 0.0000000 0.0283795 3.2858359 16 Ti 3.6439350 0.0000000 0.0000000 0.0000000 2.8679758 0.3551300 0.0000000 -0.0283795 3.2858359 17 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 -0.1242416 0.0000000 -0.0865556 1.3523404 18 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 0.1242416 0.0000000 0.0865556 1.3523404 19 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 0.1242416 0.0000000 0.0865556 1.3523404 20 Rb 1.1490548 0.0000000 0.0000000 0.0000000 1.1573203 -0.1242416 0.0000000 -0.0865556 1.3523404 21 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 0.1023978 0.0000000 -0.0248959 1.2115722 22 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 0.1023978 0.0000000 -0.0248959 1.2115722 23 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 -0.1023978 0.0000000 0.0248959 1.2115722 24 Rb 1.2189081 0.0000000 0.0000000 0.0000000 1.3184354 -0.1023978 0.0000000 0.0248959 1.2115722 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) 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 ... [ 9 9 4 ] 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: 0.53, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.193 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.492 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.697 ( 0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000 12.286 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 14.061 ( 0.000 0.000 0.000) 0.000 14.120 ( 0.000 0.000 0.000) 0.000 20.105 ( 0.000 0.000 0.000) 0.000 20.108 ( 0.000 0.000 0.000) 0.000 21.729 ( 0.000 0.000 0.000) 0.000 22.520 ( 0.000 0.000 0.000) 0.000 22.540 ( 0.000 0.000 0.000) 0.000 22.662 ( 0.000 0.000 0.000) 0.000 22.959 ( 0.000 0.000 0.000) 0.000 23.685 ( 0.000 0.000 0.000) 0.000 24.114 ( 0.000 0.000 0.000) 0.000 24.311 ( 0.000 0.000 0.000) 0.000 25.030 ( 0.000 0.000 0.000) 0.000 25.529 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 21.035 -4.673 0.000) 21.548 0.469 ( 14.675 -20.786 0.000) 25.444 0.893 ( 40.057 -8.002 0.000) 40.849 1.312 ( -1.435 -4.239 0.000) 4.475 1.415 ( -0.695 -2.660 0.000) 2.750 1.475 ( 19.644 -0.625 0.000) 19.654 1.580 ( 7.765 -3.007 0.000) 8.327 1.656 ( 9.670 -2.705 0.000) 10.041 1.731 ( 5.480 0.188 0.000) 5.483 1.785 ( 3.278 0.596 0.000) 3.331 2.025 ( 5.364 1.386 0.000) 5.541 2.066 ( -1.725 -0.958 0.000) 1.973 2.200 ( -0.047 0.147 0.000) 0.154 2.321 ( 0.219 4.305 0.000) 4.310 2.437 ( -1.619 -1.201 0.000) 2.016 2.461 ( -2.943 1.327 0.000) 3.229 2.483 ( -1.930 -0.811 0.000) 2.093 2.505 ( -1.828 1.217 0.000) 2.196 2.542 ( -2.068 -0.681 0.000) 2.177 2.642 ( -0.360 0.534 0.000) 0.644 2.748 ( 1.016 2.305 0.000) 2.519 2.829 ( 6.176 2.505 0.000) 6.664 2.944 ( -4.074 0.941 0.000) 4.181 2.967 ( -2.830 -0.314 0.000) 2.847 3.001 ( 6.970 0.399 0.000) 6.981 3.207 ( 3.147 -0.132 0.000) 3.150 3.226 ( -1.979 1.571 0.000) 2.526 3.451 ( 13.931 4.558 0.000) 14.658 3.590 ( 21.703 -1.201 0.000) 21.736 3.639 ( -0.056 -0.187 0.000) 0.195 3.881 ( 12.239 0.078 0.000) 12.240 3.890 ( -12.157 2.784 0.000) 12.471 4.134 ( 7.262 17.510 0.000) 18.956 4.164 ( -2.500 -1.181 0.000) 2.765 4.330 ( 1.847 -2.179 0.000) 2.857 4.596 ( 3.118 0.358 0.000) 3.138 4.956 ( -1.736 0.145 0.000) 1.742 5.093 ( -11.858 -20.312 0.000) 23.520 5.514 ( 22.645 0.242 0.000) 22.646 5.979 ( 12.481 -1.531 0.000) 12.574 6.036 ( 3.228 -0.585 0.000) 3.281 6.143 ( 6.501 0.932 0.000) 6.568 7.038 ( -5.335 1.773 0.000) 5.622 7.080 ( -8.881 0.238 0.000) 8.884 7.139 ( -10.406 -0.698 0.000) 10.429 7.654 ( -7.658 2.915 0.000) 8.193 8.706 ( -0.212 0.726 0.000) 0.757 8.735 ( 6.365 0.587 0.000) 6.392 8.991 ( 1.115 2.787 0.000) 3.002 9.202 ( -1.252 0.564 0.000) 1.373 9.339 ( -9.727 0.331 0.000) 9.733 9.439 ( 5.205 6.886 0.000) 8.632 9.487 ( 2.518 -1.893 0.000) 3.150 9.488 ( 7.985 5.048 0.000) 9.447 9.651 ( -11.653 -2.520 0.000) 11.923 9.710 ( 1.090 -0.376 0.000) 1.153 12.324 ( 6.216 4.064 0.000) 7.427 12.431 ( 6.426 -0.218 0.000) 6.430 14.065 ( -0.299 -0.084 0.000) 0.311 14.090 ( -3.488 -0.174 0.000) 3.492 20.296 ( 18.662 0.168 0.000) 18.663 21.719 ( -1.032 -0.280 0.000) 1.069 22.023 ( 52.309 106.552 0.000) 118.700 22.509 ( 0.904 5.342 0.000) 5.418 22.560 ( 0.179 -3.743 0.000) 3.747 22.667 ( -0.534 -2.952 0.000) 3.000 23.626 ( -6.707 0.408 0.000) 6.720 23.916 ( -31.476 -33.480 0.000) 45.953 24.351 ( 3.092 -4.312 0.000) 5.306 24.424 ( -4.239 -26.857 0.000) 27.189 25.029 ( -0.105 0.153 0.000) 0.185 25.385 ( -12.815 1.464 0.000) 12.898 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 19.742 -4.759 0.000) 20.308 0.922 ( 14.292 -18.427 0.000) 23.320 1.360 ( 1.880 -4.385 0.000) 4.771 1.475 ( 2.907 -5.405 0.000) 6.137 1.564 ( 23.606 -4.495 0.000) 24.030 1.672 ( 4.157 -1.402 0.000) 4.387 1.750 ( 4.084 -3.992 0.000) 5.711 1.814 ( 6.140 0.659 0.000) 6.176 1.863 ( 6.403 -2.503 0.000) 6.875 1.903 ( 11.128 1.925 0.000) 11.293 1.985 ( -4.305 0.388 0.000) 4.322 2.185 ( -0.456 2.289 0.000) 2.334 2.210 ( 7.964 1.517 0.000) 8.107 2.267 ( -1.782 2.292 0.000) 2.903 2.355 ( -6.657 1.396 0.000) 6.801 2.456 ( -2.678 -2.248 0.000) 3.496 2.460 ( 4.203 -0.308 0.000) 4.214 2.491 ( 1.031 -1.539 0.000) 1.853 2.539 ( -0.132 -2.541 0.000) 2.545 2.614 ( 0.457 4.726 0.000) 4.748 2.735 ( -0.354 3.139 0.000) 3.159 2.853 ( -4.231 -1.427 0.000) 4.465 2.903 ( -4.397 -1.309 0.000) 4.588 2.953 ( 8.528 2.110 0.000) 8.785 3.115 ( 4.919 0.409 0.000) 4.936 3.184 ( -0.939 1.338 0.000) 1.635 3.300 ( 6.778 0.598 0.000) 6.804 3.622 ( -0.400 1.031 0.000) 1.106 3.631 ( 7.237 3.188 0.000) 7.908 3.659 ( -9.494 0.837 0.000) 9.530 4.013 ( 7.022 5.594 0.000) 8.978 4.120 ( -3.098 -1.069 0.000) 3.277 4.286 ( 37.255 5.716 0.000) 37.691 4.318 ( 35.451 0.256 0.000) 35.452 4.400 ( 3.631 -1.832 0.000) 4.066 4.669 ( 5.198 0.893 0.000) 5.274 4.920 ( -1.366 0.115 0.000) 1.370 5.056 ( -5.718 -7.547 0.000) 9.469 5.977 ( 25.687 0.686 0.000) 25.696 6.119 ( 4.478 -1.595 0.000) 4.754 6.278 ( 13.981 -0.495 0.000) 13.989 6.287 ( 12.244 0.547 0.000) 12.256 6.880 ( -10.279 1.743 0.000) 10.425 6.887 ( -9.923 0.484 0.000) 9.934 6.930 ( -10.605 0.082 0.000) 10.605 7.457 ( -8.383 5.362 0.000) 9.951 8.569 ( -15.103 1.093 0.000) 15.143 8.679 ( -18.312 -0.617 0.000) 18.323 9.016 ( 6.593 6.140 0.000) 9.009 9.160 ( -2.172 1.196 0.000) 2.479 9.233 ( 2.429 2.147 0.000) 3.241 9.431 ( -1.650 -0.117 0.000) 1.654 9.456 ( -9.471 -4.569 0.000) 10.516 9.585 ( 5.479 -2.588 0.000) 6.059 9.641 ( 8.362 -1.033 0.000) 8.425 9.741 ( 1.709 -0.670 0.000) 1.835 12.450 ( 13.330 7.153 0.000) 15.128 12.611 ( 14.245 2.781 0.000) 14.514 13.977 ( -9.058 -0.332 0.000) 9.064 14.023 ( -5.562 -0.678 0.000) 5.603 20.703 ( 23.437 0.205 0.000) 23.438 21.704 ( -1.328 -1.546 0.000) 2.037 21.984 ( 20.418 46.251 0.000) 50.557 22.432 ( -1.748 10.511 0.000) 10.655 22.609 ( 0.383 -5.326 0.000) 5.340 22.705 ( 0.959 -3.971 0.000) 4.085 23.415 ( -15.439 -0.092 0.000) 15.439 23.634 ( -26.438 -22.233 0.000) 34.543 24.478 ( 7.756 -0.695 0.000) 7.787 24.582 ( 5.610 -4.298 0.000) 7.067 25.017 ( -1.120 0.537 0.000) 1.242 25.135 ( -10.962 0.106 0.000) 10.963 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 15.711 -4.540 0.000) 16.354 1.329 ( 12.871 -14.132 0.000) 19.115 1.469 ( 5.154 -5.399 0.000) 7.463 1.588 ( 4.312 -3.230 0.000) 5.388 1.667 ( 0.139 1.881 0.000) 1.887 1.808 ( -0.411 -3.047 0.000) 3.075 1.892 ( 1.313 0.500 0.000) 1.405 1.907 ( 2.249 1.463 0.000) 2.683 1.909 ( 4.886 1.413 0.000) 5.086 1.962 ( 3.165 -0.686 0.000) 3.238 2.068 ( 5.799 1.559 0.000) 6.005 2.149 ( -1.316 1.416 0.000) 1.934 2.206 ( -6.646 3.050 0.000) 7.313 2.233 ( -1.012 -0.473 0.000) 1.117 2.334 ( 8.031 -1.733 0.000) 8.216 2.423 ( -3.443 -2.635 0.000) 4.336 2.511 ( 2.645 3.741 0.000) 4.581 2.526 ( 0.305 5.010 0.000) 5.020 2.565 ( 2.730 -4.755 0.000) 5.483 2.640 ( 4.123 -1.794 0.000) 4.497 2.644 ( -5.538 2.458 0.000) 6.059 2.832 ( -2.275 -2.189 0.000) 3.158 2.887 ( -0.812 -6.061 0.000) 6.115 3.035 ( 1.126 3.130 0.000) 3.326 3.175 ( 1.536 0.253 0.000) 1.557 3.199 ( 5.295 -0.671 0.000) 5.337 3.380 ( 1.747 3.333 0.000) 3.763 3.568 ( -3.038 3.114 0.000) 4.350 3.582 ( 1.148 -3.246 0.000) 3.443 3.703 ( 3.305 1.602 0.000) 3.673 3.995 ( 1.086 5.680 0.000) 5.783 4.072 ( -3.090 -0.811 0.000) 3.195 4.497 ( 5.176 -1.418 0.000) 5.367 4.759 ( 5.254 1.305 0.000) 5.413 4.782 ( 2.423 1.633 0.000) 2.922 4.925 ( 4.287 -1.730 0.000) 4.623 5.141 ( 40.568 0.125 0.000) 40.568 5.245 ( 40.114 0.347 0.000) 40.115 6.204 ( 3.202 -2.609 0.000) 4.130 6.420 ( 20.238 -0.554 0.000) 20.246 6.425 ( 5.048 1.412 0.000) 5.242 6.541 ( 10.064 2.717 0.000) 10.424 6.657 ( -11.374 0.261 0.000) 11.377 6.747 ( -9.206 1.613 0.000) 9.346 6.819 ( 6.329 -2.124 0.000) 6.675 7.259 ( -7.791 5.252 0.000) 9.396 8.144 ( -28.401 0.903 0.000) 28.415 8.149 ( -36.178 -0.757 0.000) 36.186 9.103 ( 8.294 6.279 0.000) 10.403 9.111 ( -1.492 1.413 0.000) 2.055 9.200 ( -4.659 0.076 0.000) 4.660 9.382 ( -4.313 -1.126 0.000) 4.457 9.509 ( 9.411 0.067 0.000) 9.411 9.719 ( 6.169 -1.671 0.000) 6.391 9.771 ( -0.227 -5.221 0.000) 5.226 9.785 ( 3.751 -1.638 0.000) 4.093 12.689 ( 20.068 7.838 0.000) 21.544 12.895 ( 19.580 4.213 0.000) 20.028 13.752 ( -16.127 -1.262 0.000) 16.177 13.861 ( -13.189 -1.833 0.000) 13.316 21.118 ( 20.513 -1.551 0.000) 20.571 21.708 ( -0.905 -4.054 0.000) 4.154 21.917 ( 8.322 25.018 0.000) 26.366 22.230 ( -8.685 12.860 0.000) 15.518 22.666 ( 0.897 -4.013 0.000) 4.112 22.759 ( 0.695 -2.970 0.000) 3.050 23.138 ( -11.849 -0.563 0.000) 11.863 23.369 ( -21.012 -15.847 0.000) 26.318 24.635 ( 8.578 0.357 0.000) 8.586 24.716 ( 7.362 1.126 0.000) 7.447 24.958 ( -4.341 0.268 0.000) 4.349 25.012 ( -3.943 -0.688 0.000) 4.003 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 8.531 -2.256 0.000) 8.824 1.588 ( 0.868 -2.744 0.000) 2.878 1.618 ( 2.569 -6.125 0.000) 6.642 1.664 ( 1.979 1.086 0.000) 2.258 1.710 ( 7.603 -2.196 0.000) 7.913 1.798 ( 2.178 -4.027 0.000) 4.578 1.850 ( -3.356 2.398 0.000) 4.125 1.939 ( 1.086 -0.243 0.000) 1.113 1.940 ( -0.943 0.968 0.000) 1.352 1.988 ( -3.900 2.860 0.000) 4.837 2.047 ( 0.371 4.808 0.000) 4.823 2.078 ( -2.990 -1.021 0.000) 3.160 2.174 ( 2.182 -2.074 0.000) 3.010 2.231 ( 0.642 3.775 0.000) 3.830 2.388 ( -1.547 -1.066 0.000) 1.878 2.399 ( -0.937 1.105 0.000) 1.448 2.499 ( 1.575 3.500 0.000) 3.838 2.531 ( -3.795 -0.149 0.000) 3.797 2.598 ( 5.312 -2.042 0.000) 5.691 2.643 ( 0.691 -2.497 0.000) 2.591 2.754 ( 5.171 -2.957 0.000) 5.957 2.846 ( 0.726 -2.431 0.000) 2.537 2.871 ( -3.333 -0.888 0.000) 3.450 2.956 ( -4.363 4.190 0.000) 6.049 3.246 ( 3.418 -3.444 0.000) 4.852 3.307 ( 3.456 0.839 0.000) 3.557 3.350 ( 0.251 -0.110 0.000) 0.274 3.457 ( -4.779 4.252 0.000) 6.396 3.675 ( 3.762 -2.124 0.000) 4.321 3.726 ( -0.276 0.455 0.000) 0.533 3.983 ( 2.151 2.693 0.000) 3.447 4.021 ( -3.184 -0.782 0.000) 3.279 4.613 ( 5.624 -1.544 0.000) 5.832 4.723 ( -4.390 1.571 0.000) 4.663 4.833 ( 4.158 1.333 0.000) 4.367 4.894 ( -3.853 -1.291 0.000) 4.063 5.915 ( 37.190 0.856 0.000) 37.200 6.013 ( 35.315 2.174 0.000) 35.382 6.269 ( -0.976 -4.154 0.000) 4.267 6.394 ( -2.348 3.380 0.000) 4.115 6.427 ( -12.172 0.548 0.000) 12.184 6.477 ( -18.374 -2.284 0.000) 18.516 6.797 ( 15.560 0.051 0.000) 15.560 6.802 ( 23.962 0.809 0.000) 23.976 7.045 ( -7.741 -0.177 0.000) 7.743 7.115 ( 16.923 1.493 0.000) 16.989 7.428 ( -40.222 -0.357 0.000) 40.224 7.579 ( -29.558 0.877 0.000) 29.571 9.091 ( 0.663 0.801 0.000) 1.040 9.122 ( -2.832 0.194 0.000) 2.838 9.203 ( 7.107 3.813 0.000) 8.065 9.299 ( -6.210 -2.337 0.000) 6.635 9.674 ( 8.897 3.006 0.000) 9.391 9.766 ( -4.391 -3.758 0.000) 5.780 9.822 ( 4.180 0.946 0.000) 4.285 9.847 ( -0.728 -3.609 0.000) 3.682 13.033 ( 23.461 5.996 0.000) 24.215 13.239 ( 21.350 4.379 0.000) 21.795 13.416 ( -21.840 -3.269 0.000) 22.083 13.582 ( -19.097 -3.372 0.000) 19.393 21.499 ( 17.634 -5.225 0.000) 18.392 21.744 ( -1.322 -6.567 0.000) 6.699 21.834 ( 2.927 14.544 0.000) 14.835 21.895 ( -14.962 8.199 0.000) 17.062 22.716 ( 2.241 -0.678 0.000) 2.341 22.761 ( -3.186 -2.579 0.000) 4.099 23.053 ( 4.683 5.230 0.000) 7.020 23.163 ( -14.392 -10.800 0.000) 17.993 24.775 ( 6.877 0.615 0.000) 6.905 24.836 ( 7.018 1.622 0.000) 7.203 24.877 ( -4.830 -0.398 0.000) 4.846 24.939 ( -5.183 -0.846 0.000) 5.251 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 19.414 0.000 0.000) 19.414 0.815 ( 20.999 0.000 0.000) 20.999 1.317 ( 3.468 0.000 0.000) 3.468 1.422 ( 3.372 0.000 0.000) 3.372 1.512 ( 28.231 0.000 0.000) 28.231 1.685 ( 4.626 0.000 0.000) 4.626 1.692 ( 3.864 0.000 0.000) 3.864 1.823 ( 8.638 0.000 0.000) 8.638 1.840 ( 5.820 0.000 0.000) 5.820 1.933 ( 11.868 0.000 0.000) 11.868 1.988 ( -4.698 -0.000 0.000) 4.698 2.201 ( -0.001 -0.000 0.000) 0.001 2.221 ( 7.298 0.000 0.000) 7.298 2.307 ( -1.866 -0.000 0.000) 1.866 2.369 ( -7.807 -0.000 0.000) 7.807 2.429 ( -2.824 -0.000 0.000) 2.824 2.443 ( 5.640 0.000 0.000) 5.640 2.485 ( -0.365 -0.000 0.000) 0.365 2.515 ( 0.025 0.000 0.000) 0.025 2.657 ( 1.110 0.000 0.000) 1.110 2.768 ( -0.757 -0.000 0.000) 0.757 2.848 ( -6.489 -0.000 0.000) 6.489 2.891 ( -5.198 -0.000 0.000) 5.198 2.982 ( 8.712 0.000 0.000) 8.712 3.116 ( 4.044 0.000 0.000) 4.044 3.197 ( -1.219 -0.000 0.000) 1.219 3.304 ( 7.370 0.000 0.000) 7.370 3.626 ( -0.637 -0.000 0.000) 0.637 3.669 ( -11.178 -0.000 0.000) 11.178 3.676 ( 7.301 0.000 0.000) 7.301 4.059 ( 14.524 0.000 0.000) 14.524 4.107 ( -3.026 -0.000 0.000) 3.026 4.320 ( 35.778 0.000 0.000) 35.778 4.382 ( 4.291 0.000 0.000) 4.291 4.392 ( 25.833 0.000 0.000) 25.833 4.678 ( 5.246 0.000 0.000) 5.246 4.919 ( -1.668 -0.000 0.000) 1.668 4.926 ( -1.458 -0.000 0.000) 1.458 5.983 ( 25.583 0.000 0.000) 25.583 6.104 ( 3.959 0.000 0.000) 3.959 6.269 ( 18.441 0.000 0.000) 18.441 6.297 ( 9.016 0.000 0.000) 9.016 6.892 ( -10.479 -0.000 0.000) 10.479 6.905 ( -13.356 -0.000 0.000) 13.356 6.924 ( -7.587 -0.000 0.000) 7.587 7.510 ( -9.120 -0.000 0.000) 9.120 8.580 ( -15.229 -0.000 0.000) 15.229 8.673 ( -18.755 -0.000 0.000) 18.755 9.093 ( 7.344 0.000 0.000) 7.344 9.175 ( -1.693 -0.000 0.000) 1.693 9.244 ( 4.613 0.000 0.000) 4.613 9.401 ( -11.614 -0.000 0.000) 11.614 9.434 ( -1.907 -0.000 0.000) 1.907 9.564 ( 6.243 0.000 0.000) 6.243 9.628 ( 3.917 0.000 0.000) 3.917 9.733 ( 1.570 0.000 0.000) 1.570 12.545 ( 13.826 0.000 0.000) 13.826 12.628 ( 14.421 0.000 0.000) 14.421 13.975 ( -9.241 -0.000 0.000) 9.241 14.017 ( -5.808 -0.000 0.000) 5.808 20.706 ( 23.048 0.000 0.000) 23.048 21.689 ( -1.956 -0.000 0.000) 1.956 22.551 ( 0.985 0.000 0.000) 0.985 22.574 ( 1.743 0.000 0.000) 1.743 22.629 ( -1.100 -0.000 0.000) 1.100 22.846 ( -5.083 -0.000 0.000) 5.083 23.057 ( -18.840 -0.000 0.000) 18.840 23.412 ( -16.432 -0.000 0.000) 16.432 24.478 ( 8.174 0.000 0.000) 8.174 24.522 ( 12.461 0.000 0.000) 12.461 25.023 ( -0.756 -0.000 0.000) 0.756 25.135 ( -12.270 -0.000 0.000) 12.270 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 17.188 -7.823 0.000) 18.885 1.183 ( 17.505 -1.344 0.000) 17.556 1.407 ( 5.046 -1.346 0.000) 5.222 1.540 ( 7.695 -1.703 0.000) 7.881 1.704 ( 0.698 2.043 0.000) 2.159 1.756 ( 1.954 -2.575 0.000) 3.233 1.891 ( 2.567 -0.200 0.000) 2.574 1.897 ( 1.457 -0.752 0.000) 1.640 1.938 ( 5.663 1.273 0.000) 5.804 1.955 ( 5.214 -0.095 0.000) 5.214 2.145 ( 12.436 2.804 0.000) 12.748 2.181 ( -4.352 1.977 0.000) 4.780 2.219 ( -5.410 -1.492 0.000) 5.612 2.232 ( -2.295 0.474 0.000) 2.343 2.339 ( 6.975 1.608 0.000) 7.158 2.379 ( -3.075 -1.394 0.000) 3.376 2.509 ( 2.258 -1.162 0.000) 2.539 2.538 ( 1.708 -1.163 0.000) 2.066 2.583 ( 5.306 3.061 0.000) 6.126 2.677 ( 2.691 2.578 0.000) 3.726 2.697 ( -6.805 2.191 0.000) 7.149 2.762 ( -1.877 -5.188 0.000) 5.517 2.799 ( -4.668 -1.624 0.000) 4.943 3.104 ( 3.300 4.001 0.000) 5.186 3.170 ( 3.326 -2.559 0.000) 4.197 3.182 ( -0.357 0.206 0.000) 0.412 3.423 ( 1.766 1.185 0.000) 2.127 3.538 ( 0.110 -1.317 0.000) 1.322 3.604 ( -1.773 0.845 0.000) 1.964 3.747 ( 2.338 2.162 0.000) 3.185 4.055 ( -2.954 -0.700 0.000) 3.036 4.075 ( -2.809 2.361 0.000) 3.669 4.476 ( 5.310 -0.691 0.000) 5.355 4.775 ( 5.064 0.423 0.000) 5.082 4.807 ( 0.108 1.015 0.000) 1.020 4.881 ( 0.891 -2.215 0.000) 2.388 5.138 ( 43.082 -0.230 0.000) 43.082 5.236 ( 44.789 -0.683 0.000) 44.794 6.169 ( 2.391 -1.031 0.000) 2.604 6.400 ( 17.153 -0.918 0.000) 17.177 6.454 ( 7.542 1.094 0.000) 7.621 6.601 ( 15.357 3.238 0.000) 15.695 6.664 ( -12.209 0.274 0.000) 12.212 6.757 ( -1.146 -3.522 0.000) 3.704 6.776 ( -7.198 0.997 0.000) 7.266 7.331 ( -9.073 2.071 0.000) 9.306 8.137 ( -35.957 -0.352 0.000) 35.958 8.157 ( -28.668 0.373 0.000) 28.671 9.143 ( -0.908 1.399 0.000) 1.668 9.179 ( -0.307 0.589 0.000) 0.664 9.264 ( 3.756 7.178 0.000) 8.101 9.380 ( -3.741 0.543 0.000) 3.780 9.443 ( 8.724 -6.145 0.000) 10.670 9.667 ( -1.730 -3.837 0.000) 4.209 9.710 ( 9.225 0.310 0.000) 9.230 9.772 ( 2.302 -0.529 0.000) 2.362 12.824 ( 19.083 5.189 0.000) 19.776 12.943 ( 19.254 0.708 0.000) 19.267 13.737 ( -16.703 -0.352 0.000) 16.707 13.836 ( -14.095 -0.774 0.000) 14.116 21.097 ( 18.632 -0.625 0.000) 18.643 21.655 ( -2.336 -1.495 0.000) 2.774 22.432 ( -4.939 27.121 0.000) 27.567 22.459 ( -8.984 10.767 0.000) 14.023 22.622 ( 3.306 1.104 0.000) 3.485 22.667 ( -1.041 -6.659 0.000) 6.740 22.990 ( -15.839 -24.832 0.000) 29.454 23.127 ( -9.482 -0.425 0.000) 9.491 24.639 ( 8.750 0.124 0.000) 8.750 24.724 ( 8.957 0.020 0.000) 8.957 24.966 ( -5.669 0.469 0.000) 5.688 24.997 ( -3.215 -0.719 0.000) 3.295 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 10.509 -8.879 0.000) 13.758 1.463 ( 10.573 -0.949 0.000) 10.615 1.520 ( 5.221 -3.384 0.000) 6.222 1.696 ( 6.986 -0.252 0.000) 6.990 1.699 ( 1.368 2.183 0.000) 2.577 1.766 ( -1.618 0.308 0.000) 1.647 1.849 ( -0.599 -1.911 0.000) 2.003 1.931 ( -1.352 -0.721 0.000) 1.533 1.968 ( -1.612 2.167 0.000) 2.700 2.041 ( -4.919 1.457 0.000) 5.130 2.064 ( 6.418 0.163 0.000) 6.420 2.136 ( -3.774 4.294 0.000) 5.717 2.186 ( -1.012 0.475 0.000) 1.118 2.338 ( 5.533 7.238 0.000) 9.110 2.350 ( -1.436 -1.614 0.000) 2.160 2.404 ( -1.409 0.193 0.000) 1.422 2.559 ( 0.992 0.082 0.000) 0.995 2.560 ( -3.328 2.648 0.000) 4.253 2.595 ( 3.547 -1.675 0.000) 3.922 2.598 ( 4.097 1.908 0.000) 4.520 2.735 ( 5.985 1.743 0.000) 6.233 2.785 ( 0.998 -3.683 0.000) 3.816 2.818 ( -0.551 -5.278 0.000) 5.307 3.044 ( -3.370 4.965 0.000) 6.001 3.189 ( 0.555 -2.211 0.000) 2.279 3.271 ( 3.650 -2.919 0.000) 4.673 3.369 ( -3.433 0.401 0.000) 3.456 3.526 ( -4.903 2.888 0.000) 5.690 3.649 ( 6.469 -0.546 0.000) 6.492 3.749 ( 0.341 1.896 0.000) 1.926 4.003 ( -3.825 -0.979 0.000) 3.948 4.017 ( -1.129 0.701 0.000) 1.329 4.584 ( 5.114 -1.432 0.000) 5.310 4.743 ( -4.658 0.582 0.000) 4.695 4.849 ( 3.326 0.394 0.000) 3.349 4.859 ( -3.518 -2.031 0.000) 4.063 5.924 ( 37.143 0.176 0.000) 37.144 6.036 ( 34.841 0.424 0.000) 34.843 6.203 ( -1.679 -2.674 0.000) 3.157 6.416 ( -17.525 -2.171 0.000) 17.659 6.447 ( -11.987 -0.035 0.000) 11.987 6.477 ( -1.080 4.728 0.000) 4.849 6.806 ( 11.092 0.652 0.000) 11.111 6.817 ( 21.692 0.851 0.000) 21.709 6.991 ( 7.204 -3.763 0.000) 8.127 7.166 ( 1.059 2.389 0.000) 2.613 7.422 ( -39.856 -0.287 0.000) 39.857 7.593 ( -29.517 0.559 0.000) 29.523 9.124 ( 0.868 2.297 0.000) 2.456 9.129 ( -2.365 0.557 0.000) 2.430 9.287 ( -5.451 0.909 0.000) 5.526 9.314 ( 7.066 7.586 0.000) 10.367 9.639 ( 5.746 -5.701 0.000) 8.094 9.640 ( -6.577 -7.250 0.000) 9.788 9.813 ( 0.742 -1.315 0.000) 1.510 9.869 ( 8.742 2.991 0.000) 9.240 13.149 ( 21.330 5.790 0.000) 22.102 13.302 ( 20.489 2.113 0.000) 20.597 13.372 ( -23.102 -1.465 0.000) 23.148 13.526 ( -20.312 -2.376 0.000) 20.451 21.417 ( 14.537 -3.298 0.000) 14.906 21.633 ( -3.096 -4.387 0.000) 5.369 22.065 ( -21.047 8.349 0.000) 22.642 22.137 ( -4.513 17.132 0.000) 17.716 22.697 ( -0.421 -3.805 0.000) 3.828 22.706 ( 4.955 -0.429 0.000) 4.973 22.928 ( -9.359 -14.068 0.000) 16.897 23.131 ( 8.680 2.911 0.000) 9.155 24.783 ( 6.803 0.265 0.000) 6.808 24.858 ( 6.247 0.730 0.000) 6.290 24.870 ( -5.283 -0.277 0.000) 5.290 24.922 ( -5.836 -0.815 0.000) 5.893 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -4.946 0.496 0.000) 4.971 1.576 ( 2.552 -1.733 0.000) 3.085 1.653 ( 2.566 -0.824 0.000) 2.695 1.693 ( 0.159 2.811 0.000) 2.816 1.764 ( -0.544 -3.466 0.000) 3.509 1.792 ( -4.191 3.170 0.000) 5.255 1.890 ( 7.306 -5.759 0.000) 9.303 1.897 ( -0.079 4.272 0.000) 4.273 1.919 ( -1.181 -1.332 0.000) 1.780 1.968 ( -2.757 1.905 0.000) 3.351 2.010 ( -3.565 2.995 0.000) 4.656 2.147 ( 3.544 4.321 0.000) 5.588 2.190 ( 1.897 -0.745 0.000) 2.038 2.261 ( -3.024 5.252 0.000) 6.061 2.338 ( -4.499 -3.250 0.000) 5.550 2.368 ( 1.779 -1.694 0.000) 2.456 2.521 ( 0.925 3.571 0.000) 3.688 2.559 ( 0.288 1.708 0.000) 1.732 2.652 ( 1.225 2.470 0.000) 2.757 2.677 ( 2.736 1.391 0.000) 3.069 2.799 ( -2.889 1.169 0.000) 3.117 2.841 ( 5.434 -0.061 0.000) 5.434 2.890 ( 5.542 -2.984 0.000) 6.294 2.930 ( -2.461 4.620 0.000) 5.235 3.235 ( -0.404 -5.142 0.000) 5.158 3.295 ( -4.082 1.385 0.000) 4.311 3.368 ( 3.046 -5.352 0.000) 6.158 3.389 ( -6.269 2.652 0.000) 6.807 3.719 ( -1.712 2.417 0.000) 2.962 3.735 ( 2.360 1.316 0.000) 2.702 3.932 ( -4.937 -2.465 0.000) 5.519 4.025 ( 1.824 -0.422 0.000) 1.873 4.636 ( -5.866 0.901 0.000) 5.935 4.686 ( 3.910 -2.251 0.000) 4.511 4.802 ( -4.509 -1.840 0.000) 4.870 4.900 ( 2.440 -0.572 0.000) 2.506 5.893 ( -37.179 -1.399 0.000) 37.206 5.960 ( -33.789 -3.121 0.000) 33.932 6.342 ( 1.286 3.189 0.000) 3.438 6.362 ( 3.252 -0.312 0.000) 3.267 6.416 ( 12.730 -0.557 0.000) 12.742 6.505 ( 13.124 0.828 0.000) 13.150 6.788 ( -25.445 -0.618 0.000) 25.452 6.808 ( -15.922 1.019 0.000) 15.954 6.981 ( 3.093 -4.669 0.000) 5.601 7.135 ( -16.213 1.804 0.000) 16.313 7.434 ( 40.573 0.217 0.000) 40.573 7.562 ( 29.740 -0.887 0.000) 29.753 9.096 ( -0.220 1.113 0.000) 1.135 9.116 ( -2.916 -0.280 0.000) 2.929 9.190 ( -1.054 2.294 0.000) 2.524 9.373 ( 5.891 5.482 0.000) 8.047 9.561 ( -9.322 -7.653 0.000) 12.061 9.750 ( 1.367 -3.901 0.000) 4.134 9.812 ( -2.122 -0.888 0.000) 2.301 9.951 ( 3.851 5.583 0.000) 6.782 12.943 ( -24.709 -3.494 0.000) 24.955 13.156 ( -22.273 -4.118 0.000) 22.650 13.488 ( 19.760 4.115 0.000) 20.184 13.640 ( 17.798 2.510 0.000) 17.974 21.595 ( -19.119 3.309 0.000) 19.403 21.614 ( -9.635 -7.574 0.000) 12.255 21.706 ( 11.280 -6.750 0.000) 13.145 21.943 ( -2.908 9.333 0.000) 9.775 22.729 ( 2.077 0.592 0.000) 2.160 22.779 ( 1.339 -1.042 0.000) 1.697 22.952 ( 3.565 -4.885 0.000) 6.048 23.325 ( 16.333 6.558 0.000) 17.600 24.762 ( -7.124 -0.769 0.000) 7.165 24.802 ( -8.118 -1.870 0.000) 8.330 24.885 ( 4.691 0.433 0.000) 4.711 24.950 ( 4.255 0.234 0.000) 4.261 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -11.628 6.746 0.000) 13.443 1.536 ( -8.061 7.001 0.000) 10.677 1.582 ( -7.650 5.337 0.000) 9.328 1.631 ( 0.800 -1.953 0.000) 2.110 1.671 ( 0.675 6.442 0.000) 6.478 1.807 ( -4.410 -5.400 0.000) 6.972 1.883 ( 3.415 2.750 0.000) 4.385 1.890 ( -3.157 -0.838 0.000) 3.266 1.906 ( -0.693 3.036 0.000) 3.114 1.959 ( -0.964 -2.398 0.000) 2.584 2.107 ( 3.574 -3.212 0.000) 4.805 2.133 ( -0.021 5.630 0.000) 5.630 2.176 ( 2.224 2.414 0.000) 3.282 2.240 ( 2.814 0.335 0.000) 2.834 2.355 ( -0.270 -8.549 0.000) 8.553 2.393 ( -2.966 2.601 0.000) 3.945 2.479 ( -6.647 1.836 0.000) 6.896 2.509 ( 0.895 2.893 0.000) 3.029 2.638 ( 3.162 2.498 0.000) 4.030 2.656 ( -1.459 4.385 0.000) 4.621 2.714 ( -2.630 4.950 0.000) 5.605 2.868 ( 1.080 1.593 0.000) 1.924 2.959 ( 4.661 1.674 0.000) 4.953 2.989 ( 1.253 -1.828 0.000) 2.216 3.188 ( -5.110 1.749 0.000) 5.401 3.200 ( -6.485 -0.673 0.000) 6.520 3.306 ( -3.016 -4.147 0.000) 5.127 3.484 ( 3.283 -6.136 0.000) 6.959 3.649 ( -1.769 3.702 0.000) 4.103 3.694 ( -4.949 0.471 0.000) 4.972 3.893 ( -3.139 -4.576 0.000) 5.549 4.076 ( 2.789 -0.541 0.000) 2.841 4.523 ( -4.982 1.206 0.000) 5.126 4.728 ( -5.334 -1.941 0.000) 5.676 4.746 ( -2.560 -2.193 0.000) 3.371 4.932 ( -5.984 -1.067 0.000) 6.078 5.128 ( -39.692 -1.292 0.000) 39.713 5.214 ( -40.289 -2.615 0.000) 40.374 6.258 ( -4.844 2.909 0.000) 5.651 6.402 ( -21.120 -2.350 0.000) 21.250 6.416 ( -4.404 0.420 0.000) 4.424 6.503 ( -6.398 -1.288 0.000) 6.526 6.656 ( 9.692 -0.082 0.000) 9.692 6.732 ( 9.312 0.261 0.000) 9.315 6.816 ( -10.088 -2.601 0.000) 10.418 7.159 ( 5.433 -4.779 0.000) 7.236 8.126 ( 27.913 -0.940 0.000) 27.928 8.163 ( 36.574 0.653 0.000) 36.579 9.012 ( -8.114 -3.260 0.000) 8.745 9.104 ( 1.921 0.673 0.000) 2.035 9.202 ( 0.138 -0.091 0.000) 0.165 9.426 ( 4.262 3.586 0.000) 5.570 9.468 ( -3.949 -2.898 0.000) 4.898 9.751 ( -4.228 1.053 0.000) 4.357 9.768 ( -1.998 -1.882 0.000) 2.745 9.891 ( -4.837 5.524 0.000) 7.343 12.567 ( -19.192 -4.912 0.000) 19.810 12.804 ( -19.896 -5.114 0.000) 20.542 13.784 ( 14.873 2.085 0.000) 15.018 13.897 ( 11.912 1.859 0.000) 12.056 21.150 ( -23.289 1.728 0.000) 23.353 21.536 ( -14.977 -15.852 0.000) 21.808 21.795 ( -1.318 4.802 0.000) 4.980 22.008 ( 7.616 -10.267 0.000) 12.783 22.753 ( 3.034 4.920 0.000) 5.780 22.786 ( -0.311 0.330 0.000) 0.454 23.140 ( 13.200 -0.448 0.000) 13.208 23.597 ( 20.692 9.245 0.000) 22.663 24.626 ( -7.838 -0.586 0.000) 7.860 24.678 ( -7.047 -2.781 0.000) 7.576 24.958 ( 3.737 0.252 0.000) 3.745 25.018 ( 3.700 -0.110 0.000) 3.701 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -16.838 9.406 0.000) 19.287 1.254 ( -11.206 14.875 0.000) 18.624 1.461 ( -0.473 5.703 0.000) 5.722 1.609 ( -0.025 8.508 0.000) 8.508 1.620 ( -7.179 1.337 0.000) 7.302 1.708 ( -4.828 -0.155 0.000) 4.831 1.817 ( -4.734 0.890 0.000) 4.817 1.838 ( -2.605 5.430 0.000) 6.022 1.920 ( -3.597 3.260 0.000) 4.854 1.961 ( 0.028 0.813 0.000) 0.814 1.990 ( -7.091 10.580 0.000) 12.736 2.120 ( 0.085 -3.545 0.000) 3.546 2.168 ( -9.946 -1.746 0.000) 10.098 2.261 ( -0.856 1.338 0.000) 1.588 2.310 ( 6.059 -3.112 0.000) 6.811 2.440 ( -1.222 -1.780 0.000) 2.159 2.455 ( 1.177 -9.251 0.000) 9.325 2.499 ( 0.437 1.801 0.000) 1.854 2.573 ( -1.435 5.420 0.000) 5.607 2.625 ( -1.246 5.579 0.000) 5.716 2.682 ( 0.235 -2.026 0.000) 2.040 2.895 ( 2.952 2.140 0.000) 3.646 2.930 ( -7.844 -0.307 0.000) 7.850 2.957 ( 0.670 5.128 0.000) 5.172 3.095 ( -6.120 -1.686 0.000) 6.348 3.149 ( 0.826 -2.388 0.000) 2.527 3.271 ( -4.961 -2.870 0.000) 5.731 3.564 ( -5.786 -3.662 0.000) 6.848 3.601 ( -0.290 -2.087 0.000) 2.107 3.652 ( 5.491 0.392 0.000) 5.505 3.878 ( -4.725 -7.262 0.000) 8.664 4.131 ( 2.673 -0.194 0.000) 2.681 4.231 ( -41.868 -1.084 0.000) 41.882 4.315 ( -34.175 -0.101 0.000) 34.175 4.438 ( -2.521 1.958 0.000) 3.192 4.647 ( -4.867 -1.487 0.000) 5.089 4.902 ( 0.611 -2.037 0.000) 2.127 5.100 ( 4.864 -2.613 0.000) 5.521 5.953 ( -25.909 -1.980 0.000) 25.985 6.157 ( -5.287 2.290 0.000) 5.761 6.252 ( -10.117 -2.049 0.000) 10.322 6.306 ( -15.864 0.964 0.000) 15.893 6.854 ( 9.024 -0.839 0.000) 9.063 6.878 ( 11.133 -0.380 0.000) 11.139 6.915 ( 11.247 -1.416 0.000) 11.335 7.329 ( 6.742 -7.859 0.000) 10.355 8.544 ( 14.893 -1.426 0.000) 14.961 8.692 ( 17.031 0.689 0.000) 17.045 8.910 ( -5.583 -4.708 0.000) 7.303 9.148 ( 2.866 0.094 0.000) 2.868 9.158 ( -3.737 -5.654 0.000) 6.777 9.450 ( 0.231 1.906 0.000) 1.920 9.540 ( 11.162 4.403 0.000) 11.999 9.653 ( -3.149 3.905 0.000) 5.017 9.659 ( -13.733 0.797 0.000) 13.757 9.749 ( -2.770 -0.022 0.000) 2.770 12.347 ( -8.772 -3.380 0.000) 9.400 12.533 ( -14.028 -5.004 0.000) 14.894 13.988 ( 8.534 0.785 0.000) 8.570 14.039 ( 4.907 0.923 0.000) 4.993 20.699 ( -24.330 -0.175 0.000) 24.330 21.318 ( -30.634 -25.580 0.000) 39.910 21.743 ( -0.351 2.543 0.000) 2.567 22.220 ( 3.820 -11.539 0.000) 12.155 22.742 ( 2.396 8.300 0.000) 8.639 22.768 ( 0.075 3.024 0.000) 3.025 23.408 ( 13.608 -0.964 0.000) 13.642 23.892 ( 18.736 8.465 0.000) 20.560 24.499 ( -5.407 1.209 0.000) 5.540 24.623 ( 0.863 -0.562 0.000) 1.030 25.008 ( 1.421 -0.332 0.000) 1.459 25.127 ( 8.491 -0.811 0.000) 8.529 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -15.447 11.273 0.000) 19.123 0.834 ( -20.088 15.084 0.000) 25.121 1.227 ( -17.974 25.164 0.000) 30.923 1.436 ( 3.678 7.309 0.000) 8.182 1.519 ( -16.680 4.783 0.000) 17.352 1.524 ( 0.558 9.481 0.000) 9.498 1.675 ( -6.459 6.058 0.000) 8.856 1.709 ( -5.472 1.270 0.000) 5.617 1.768 ( -7.402 5.697 0.000) 9.341 1.792 ( -1.432 2.933 0.000) 3.264 1.977 ( -6.028 -3.361 0.000) 6.901 2.064 ( 0.052 -1.931 0.000) 1.932 2.167 ( 0.656 -3.600 0.000) 3.660 2.235 ( -2.616 -3.947 0.000) 4.735 2.428 ( 3.304 -2.770 0.000) 4.311 2.453 ( 1.479 0.227 0.000) 1.496 2.492 ( -0.459 0.659 0.000) 0.803 2.505 ( 1.778 1.150 0.000) 2.118 2.562 ( -0.452 -0.405 0.000) 0.607 2.601 ( 2.945 -2.035 0.000) 3.580 2.690 ( -0.863 -3.508 0.000) 3.612 2.781 ( -7.568 -1.138 0.000) 7.653 2.933 ( 2.909 0.547 0.000) 2.960 2.984 ( 4.372 1.598 0.000) 4.655 2.985 ( -6.741 -1.372 0.000) 6.879 3.195 ( 0.984 -1.206 0.000) 1.556 3.206 ( -3.032 -0.560 0.000) 3.084 3.393 ( -11.972 -1.473 0.000) 12.062 3.597 ( -23.065 -0.402 0.000) 23.068 3.639 ( 0.225 -0.474 0.000) 0.524 3.820 ( 8.964 -3.976 0.000) 9.806 3.854 ( -7.881 -6.274 0.000) 10.074 3.924 ( -8.155 -2.755 0.000) 8.607 4.178 ( 2.209 -0.118 0.000) 2.212 4.391 ( 0.109 3.455 0.000) 3.457 4.586 ( -2.675 -0.651 0.000) 2.753 4.944 ( 1.432 -1.405 0.000) 2.007 5.263 ( 11.269 -1.667 0.000) 11.391 5.504 ( -22.106 -0.893 0.000) 22.124 6.005 ( -14.085 0.422 0.000) 14.091 6.056 ( -3.528 1.471 0.000) 3.823 6.112 ( -6.758 -2.308 0.000) 7.141 6.996 ( 5.101 -2.114 0.000) 5.522 7.094 ( 11.014 1.713 0.000) 11.146 7.144 ( 10.547 -0.526 0.000) 10.561 7.550 ( 8.862 -7.638 0.000) 11.699 8.681 ( -0.288 -1.783 0.000) 1.807 8.714 ( -7.077 -1.595 0.000) 7.254 8.918 ( 0.394 -4.287 0.000) 4.305 9.180 ( -3.972 -1.592 0.000) 4.279 9.273 ( -18.533 -4.864 0.000) 19.161 9.293 ( 7.715 -4.440 0.000) 8.901 9.487 ( -1.628 1.298 0.000) 2.082 9.566 ( 0.209 5.696 0.000) 5.700 9.719 ( -0.703 0.397 0.000) 0.807 9.734 ( 11.598 5.899 0.000) 13.012 12.285 ( -0.929 -0.295 0.000) 0.975 12.396 ( -4.181 -3.144 0.000) 5.231 14.068 ( 0.379 0.272 0.000) 0.466 14.096 ( 3.165 0.413 0.000) 3.192 20.291 ( -18.291 -0.339 0.000) 18.294 20.819 ( -54.277 -31.882 0.000) 62.948 21.729 ( 0.318 0.790 0.000) 0.851 22.362 ( 0.988 -9.648 0.000) 9.698 22.689 ( 1.015 9.460 0.000) 9.514 22.736 ( 0.184 4.167 0.000) 4.171 23.611 ( 6.523 -1.309 0.000) 6.653 24.072 ( 5.341 1.783 0.000) 5.631 24.403 ( -2.912 2.772 0.000) 4.020 24.790 ( 20.508 5.973 0.000) 21.360 25.024 ( 0.255 -0.270 0.000) 0.371 25.336 ( 10.335 -3.544 0.000) 10.925 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 0.000 15.247 0.000) 15.247 0.326 ( 0.000 17.354 0.000) 17.354 0.732 ( 0.000 38.574 0.000) 38.574 1.234 ( 0.000 4.278 0.000) 4.278 1.417 ( 0.000 9.004 0.000) 9.004 1.465 ( 0.000 4.869 0.000) 4.869 1.557 ( 0.000 6.373 0.000) 6.373 1.583 ( 0.000 6.689 0.000) 6.689 1.665 ( -0.000 -0.551 0.000) 0.551 1.765 ( 0.000 1.057 0.000) 1.057 1.956 ( -0.000 -3.319 0.000) 3.319 2.103 ( -0.000 -2.745 0.000) 2.745 2.196 ( -0.000 -1.267 0.000) 1.267 2.222 ( -0.000 -2.637 0.000) 2.637 2.470 ( 0.000 0.240 0.000) 0.240 2.474 ( -0.000 -1.576 0.000) 1.576 2.490 ( -0.000 -0.825 0.000) 0.825 2.537 ( 0.000 0.780 0.000) 0.780 2.553 ( -0.000 -1.184 0.000) 1.184 2.669 ( 0.000 2.236 0.000) 2.236 2.715 ( -0.000 -6.995 0.000) 6.995 2.720 ( -0.000 -3.066 0.000) 3.066 2.918 ( -0.000 -0.573 0.000) 0.573 2.970 ( -0.000 -1.597 0.000) 1.597 3.055 ( 0.000 1.877 0.000) 1.877 3.142 ( 0.000 0.776 0.000) 0.776 3.180 ( -0.000 -0.020 0.000) 0.020 3.275 ( 0.000 0.417 0.000) 0.417 3.386 ( -0.000 -0.421 0.000) 0.421 3.642 ( -0.000 -0.155 0.000) 0.155 3.793 ( 0.000 1.314 0.000) 1.314 3.890 ( -0.000 -4.572 0.000) 4.572 3.970 ( -0.000 -6.069 0.000) 6.069 4.203 ( 0.000 0.374 0.000) 0.374 4.361 ( 0.000 5.156 0.000) 5.156 4.564 ( -0.000 -0.291 0.000) 0.291 4.969 ( -0.000 -0.741 0.000) 0.741 5.269 ( -0.000 -0.130 0.000) 0.130 5.525 ( -0.000 -8.403 0.000) 8.403 5.842 ( -0.000 -0.558 0.000) 0.558 6.010 ( 0.000 0.943 0.000) 0.943 6.064 ( -0.000 -1.670 0.000) 1.670 7.069 ( -0.000 -2.518 0.000) 2.518 7.196 ( 0.000 2.193 0.000) 2.193 7.252 ( 0.000 0.513 0.000) 0.513 7.747 ( -0.000 -6.504 0.000) 6.504 8.643 ( -0.000 -1.397 0.000) 1.397 8.678 ( -0.000 -1.585 0.000) 1.585 8.877 ( 0.000 0.196 0.000) 0.196 8.963 ( -0.000 -3.325 0.000) 3.325 9.220 ( 0.000 0.434 0.000) 0.434 9.397 ( -0.000 -3.739 0.000) 3.739 9.469 ( 0.000 0.598 0.000) 0.598 9.528 ( 0.000 5.858 0.000) 5.858 9.708 ( 0.000 0.887 0.000) 0.887 9.802 ( 0.000 4.499 0.000) 4.499 12.282 ( -0.000 -0.771 0.000) 0.771 12.419 ( -0.000 -1.163 0.000) 1.163 14.063 ( 0.000 0.184 0.000) 0.184 14.122 ( 0.000 0.214 0.000) 0.214 20.105 ( -0.000 -0.002 0.000) 0.002 20.108 ( 0.000 0.032 0.000) 0.032 21.730 ( 0.000 0.176 0.000) 0.176 22.446 ( -0.000 -7.106 0.000) 7.106 22.615 ( 0.000 7.701 0.000) 7.701 22.701 ( 0.000 3.579 0.000) 3.579 23.677 ( -0.000 -0.843 0.000) 0.843 24.102 ( -0.000 -0.665 0.000) 0.665 24.346 ( 0.000 3.112 0.000) 3.112 25.028 ( -0.000 -0.175 0.000) 0.175 25.113 ( -0.000 -4.254 0.000) 4.254 25.488 ( -0.000 -4.156 0.000) 4.156 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 12.831 0.000 0.000) 12.831 1.454 ( 11.747 0.000 0.000) 11.747 1.492 ( 4.795 0.000 0.000) 4.795 1.693 ( 7.663 0.000 0.000) 7.663 1.727 ( 0.836 0.000 0.000) 0.836 1.775 ( 1.168 0.000 0.000) 1.168 1.819 ( -2.211 -0.000 0.000) 2.211 1.924 ( -1.669 -0.000 0.000) 1.669 2.004 ( -3.927 -0.000 0.000) 3.927 2.027 ( 1.502 0.000 0.000) 1.502 2.089 ( 3.259 0.000 0.000) 3.259 2.176 ( -3.386 -0.000 0.000) 3.386 2.179 ( -1.149 -0.000 0.000) 1.149 2.333 ( -1.080 -0.000 0.000) 1.080 2.382 ( 5.495 0.000 0.000) 5.495 2.458 ( -1.617 -0.000 0.000) 1.617 2.547 ( 2.143 0.000 0.000) 2.143 2.580 ( 3.434 0.000 0.000) 3.434 2.602 ( 2.622 0.000 0.000) 2.622 2.649 ( -2.105 -0.000 0.000) 2.105 2.695 ( 1.184 0.000 0.000) 1.184 2.755 ( 1.690 0.000 0.000) 1.690 2.766 ( 5.830 0.000 0.000) 5.830 3.107 ( -3.286 -0.000 0.000) 3.286 3.169 ( -1.079 -0.000 0.000) 1.079 3.231 ( 3.094 0.000 0.000) 3.094 3.368 ( -4.192 -0.000 0.000) 4.192 3.554 ( -4.647 -0.000 0.000) 4.647 3.647 ( 7.735 0.000 0.000) 7.735 3.776 ( 0.042 0.000 0.000) 0.042 3.992 ( -3.946 -0.000 0.000) 3.946 4.017 ( -2.705 -0.000 0.000) 2.705 4.569 ( 4.819 0.000 0.000) 4.819 4.748 ( -4.796 -0.000 0.000) 4.796 4.837 ( -2.755 -0.000 0.000) 2.755 4.852 ( 2.853 0.000 0.000) 2.853 5.925 ( 37.076 0.000 0.000) 37.076 6.038 ( 34.492 0.000 0.000) 34.492 6.177 ( -1.992 -0.000 0.000) 1.992 6.391 ( -17.597 -0.000 0.000) 17.597 6.449 ( -10.930 -0.000 0.000) 10.930 6.530 ( -0.932 -0.000 0.000) 0.932 6.813 ( 8.808 0.000 0.000) 8.808 6.828 ( 19.343 0.000 0.000) 19.343 6.946 ( 11.926 0.000 0.000) 11.926 7.189 ( -1.917 -0.000 0.000) 1.917 7.419 ( -39.696 -0.000 0.000) 39.696 7.598 ( -29.503 -0.000 0.000) 29.503 9.136 ( -1.800 -0.000 0.000) 1.800 9.151 ( 0.656 0.000 0.000) 0.656 9.307 ( -4.258 -0.000 0.000) 4.258 9.434 ( 6.578 0.000 0.000) 6.578 9.534 ( 5.452 0.000 0.000) 5.452 9.558 ( -7.288 -0.000 0.000) 7.288 9.798 ( 0.560 0.000 0.000) 0.560 9.900 ( 9.694 0.000 0.000) 9.694 13.213 ( 19.889 0.000 0.000) 19.889 13.318 ( 20.390 0.000 0.000) 20.390 13.359 ( -23.483 -0.000 0.000) 23.483 13.503 ( -20.795 -0.000 0.000) 20.795 21.385 ( 13.439 0.000 0.000) 13.439 21.591 ( -3.881 -0.000 0.000) 3.881 22.154 ( -25.443 -0.000 0.000) 25.443 22.365 ( -14.248 -0.000 0.000) 14.248 22.652 ( 3.153 0.000 0.000) 3.153 22.698 ( -1.428 -0.000 0.000) 1.428 22.734 ( 6.398 0.000 0.000) 6.398 23.158 ( 9.904 0.000 0.000) 9.904 24.786 ( 6.843 0.000 0.000) 6.843 24.865 ( 5.973 0.000 0.000) 5.973 24.868 ( -5.552 -0.000 0.000) 5.552 24.914 ( -6.042 -0.000 0.000) 6.042 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.683 -2.078 0.000) 2.187 1.555 ( 2.742 -0.466 0.000) 2.782 1.634 ( 6.030 -0.777 0.000) 6.080 1.728 ( -3.860 -0.710 0.000) 3.925 1.749 ( 0.187 2.865 0.000) 2.871 1.780 ( 2.409 -1.129 0.000) 2.661 1.847 ( 3.531 -1.378 0.000) 3.791 1.900 ( -0.998 -0.566 0.000) 1.147 1.965 ( 1.163 2.378 0.000) 2.648 1.987 ( -3.058 0.453 0.000) 3.091 2.099 ( -3.897 4.365 0.000) 5.851 2.189 ( 2.116 0.288 0.000) 2.135 2.208 ( 7.076 2.074 0.000) 7.373 2.244 ( -11.275 -2.820 0.000) 11.622 2.335 ( 0.750 -1.902 0.000) 2.044 2.398 ( -2.788 4.274 0.000) 5.103 2.573 ( 0.303 0.049 0.000) 0.307 2.581 ( -1.740 2.370 0.000) 2.940 2.663 ( 5.181 -0.243 0.000) 5.187 2.698 ( 3.580 0.665 0.000) 3.641 2.799 ( 1.512 -0.483 0.000) 1.588 2.844 ( 8.961 -1.887 0.000) 9.158 2.882 ( 7.039 2.601 0.000) 7.504 3.021 ( -3.429 4.055 0.000) 5.311 3.152 ( -1.819 -2.828 0.000) 3.362 3.272 ( 0.003 -3.761 0.000) 3.761 3.300 ( -3.457 -0.572 0.000) 3.504 3.428 ( -7.846 1.273 0.000) 7.948 3.759 ( -0.937 1.557 0.000) 1.817 3.765 ( 4.765 1.395 0.000) 4.965 3.896 ( -6.968 -1.288 0.000) 7.086 4.007 ( 0.878 -1.059 0.000) 1.375 4.647 ( -5.781 0.242 0.000) 5.786 4.650 ( 3.374 -1.205 0.000) 3.583 4.775 ( -4.468 -0.839 0.000) 4.546 4.885 ( 0.739 -0.664 0.000) 0.993 5.871 ( -37.564 -0.732 0.000) 37.571 5.915 ( -31.438 -1.368 0.000) 31.467 6.367 ( 3.916 0.397 0.000) 3.936 6.377 ( 3.623 0.691 0.000) 3.688 6.409 ( 13.485 -0.183 0.000) 13.487 6.518 ( 4.621 0.556 0.000) 4.654 6.780 ( -26.206 -0.222 0.000) 26.207 6.824 ( -13.687 0.552 0.000) 13.698 6.912 ( -2.447 -2.128 0.000) 3.243 7.159 ( -14.460 0.639 0.000) 14.474 7.436 ( 40.775 0.058 0.000) 40.775 7.549 ( 30.094 -0.426 0.000) 30.097 9.117 ( 0.134 0.780 0.000) 0.791 9.119 ( -5.349 0.364 0.000) 5.361 9.261 ( 2.081 4.384 0.000) 4.853 9.423 ( -9.236 -6.235 0.000) 11.143 9.491 ( 4.595 6.602 0.000) 8.043 9.649 ( 2.335 -6.138 0.000) 6.568 9.791 ( -1.804 -0.940 0.000) 2.034 10.025 ( 3.895 2.097 0.000) 4.424 12.902 ( -25.113 -0.987 0.000) 25.132 13.099 ( -22.755 -1.670 0.000) 22.817 13.552 ( 17.771 2.173 0.000) 17.904 13.669 ( 17.216 0.653 0.000) 17.229 21.499 ( -8.146 -3.035 0.000) 8.693 21.614 ( 10.428 -2.621 0.000) 10.753 21.663 ( -25.522 1.959 0.000) 25.597 22.098 ( -9.859 5.621 0.000) 11.349 22.724 ( 1.306 -3.268 0.000) 3.519 22.736 ( 5.489 0.217 0.000) 5.493 22.899 ( 10.228 -0.942 0.000) 10.271 23.407 ( 17.155 2.232 0.000) 17.299 24.750 ( -7.287 -0.360 0.000) 7.296 24.775 ( -9.051 -0.854 0.000) 9.091 24.892 ( 4.939 0.268 0.000) 4.946 24.950 ( 3.440 -0.115 0.000) 3.442 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -4.837 3.962 0.000) 6.252 1.599 ( 1.140 -0.606 0.000) 1.291 1.614 ( -4.520 1.698 0.000) 4.828 1.654 ( -8.165 2.785 0.000) 8.627 1.726 ( -0.866 -3.206 0.000) 3.321 1.803 ( 1.103 5.876 0.000) 5.978 1.865 ( -2.494 -1.709 0.000) 3.023 1.900 ( -1.557 1.058 0.000) 1.882 1.904 ( 0.639 -0.788 0.000) 1.014 1.992 ( 1.080 3.242 0.000) 3.417 2.062 ( 5.180 -2.107 0.000) 5.592 2.194 ( -1.285 -6.896 0.000) 7.015 2.211 ( -0.839 1.799 0.000) 1.985 2.264 ( 4.214 3.128 0.000) 5.248 2.288 ( -2.608 6.836 0.000) 7.317 2.398 ( 2.009 -1.162 0.000) 2.321 2.543 ( -3.030 2.523 0.000) 3.943 2.544 ( -1.181 0.386 0.000) 1.243 2.720 ( 0.472 2.445 0.000) 2.490 2.735 ( 2.815 5.734 0.000) 6.388 2.801 ( 0.444 3.892 0.000) 3.917 2.908 ( 0.168 3.958 0.000) 3.962 2.968 ( 3.075 -0.137 0.000) 3.078 2.986 ( 4.533 1.890 0.000) 4.911 3.149 ( -3.309 -4.821 0.000) 5.847 3.219 ( -4.945 0.914 0.000) 5.029 3.260 ( -9.021 -0.477 0.000) 9.033 3.348 ( 1.832 -7.763 0.000) 7.976 3.709 ( -8.371 0.752 0.000) 8.405 3.713 ( -1.607 2.929 0.000) 3.341 3.837 ( -1.610 -1.468 0.000) 2.178 4.053 ( 2.282 -1.691 0.000) 2.840 4.541 ( -4.716 0.762 0.000) 4.777 4.693 ( -5.395 -1.623 0.000) 5.634 4.703 ( -1.339 -2.174 0.000) 2.553 4.893 ( -4.691 -2.517 0.000) 5.324 5.101 ( -40.804 -1.307 0.000) 40.825 5.168 ( -43.829 -1.910 0.000) 43.871 6.302 ( -9.618 1.513 0.000) 9.736 6.354 ( -16.255 -2.121 0.000) 16.393 6.425 ( -11.310 0.085 0.000) 11.310 6.508 ( 3.638 2.140 0.000) 4.221 6.651 ( 9.249 -0.273 0.000) 9.253 6.731 ( -11.622 -5.739 0.000) 12.962 6.748 ( 6.172 0.963 0.000) 6.247 7.097 ( 1.637 -1.914 0.000) 2.518 8.112 ( 27.756 -0.520 0.000) 27.761 8.171 ( 36.705 0.271 0.000) 36.706 8.979 ( -8.654 -0.513 0.000) 8.669 9.126 ( 1.889 1.320 0.000) 2.304 9.185 ( -9.238 -1.626 0.000) 9.380 9.435 ( 7.109 -0.435 0.000) 7.122 9.509 ( 3.164 4.992 0.000) 5.910 9.711 ( -0.815 -4.062 0.000) 4.143 9.752 ( -3.064 -0.701 0.000) 3.143 9.972 ( -7.606 3.007 0.000) 8.179 12.507 ( -17.529 -1.741 0.000) 17.615 12.722 ( -19.830 -3.264 0.000) 20.096 13.823 ( 13.327 1.845 0.000) 13.455 13.924 ( 10.958 0.970 0.000) 11.001 21.178 ( -25.548 1.180 0.000) 25.575 21.322 ( -17.133 -7.442 0.000) 18.679 21.817 ( 6.595 -4.008 0.000) 7.717 21.918 ( -4.408 1.989 0.000) 4.836 22.783 ( 2.743 -0.443 0.000) 2.779 22.833 ( 6.334 3.343 0.000) 7.162 23.124 ( 12.973 -0.970 0.000) 13.009 23.727 ( 20.272 4.793 0.000) 20.831 24.613 ( -7.513 -1.006 0.000) 7.580 24.625 ( -7.889 -2.171 0.000) 8.183 24.968 ( 3.676 0.796 0.000) 3.761 25.009 ( 3.110 -0.876 0.000) 3.231 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -13.732 11.336 0.000) 17.806 1.459 ( -8.460 7.847 0.000) 11.539 1.541 ( -0.857 2.055 0.000) 2.226 1.626 ( -0.693 -0.474 0.000) 0.840 1.696 ( -2.229 -0.412 0.000) 2.267 1.770 ( 2.217 8.239 0.000) 8.532 1.828 ( -2.823 -0.025 0.000) 2.823 1.898 ( -0.847 -0.566 0.000) 1.019 1.941 ( 0.845 -1.328 0.000) 1.574 1.963 ( -0.008 2.807 0.000) 2.807 2.119 ( -8.522 -0.777 0.000) 8.558 2.130 ( -0.069 4.348 0.000) 4.348 2.256 ( 4.012 -2.658 0.000) 4.812 2.270 ( 1.093 -8.210 0.000) 8.283 2.286 ( -1.299 5.698 0.000) 5.844 2.335 ( -7.962 11.024 0.000) 13.598 2.423 ( -0.804 1.515 0.000) 1.715 2.520 ( -1.143 0.183 0.000) 1.158 2.673 ( -2.726 2.107 0.000) 3.446 2.678 ( -0.909 5.176 0.000) 5.255 2.746 ( -0.660 6.914 0.000) 6.946 2.937 ( -6.711 0.912 0.000) 6.773 2.942 ( 5.714 3.496 0.000) 6.698 3.057 ( -7.789 -2.252 0.000) 8.109 3.073 ( 3.682 5.163 0.000) 6.342 3.100 ( -3.511 -1.461 0.000) 3.803 3.189 ( -3.249 -5.799 0.000) 6.647 3.457 ( -0.104 -7.817 0.000) 7.818 3.562 ( -5.624 -1.794 0.000) 5.903 3.676 ( 1.520 2.026 0.000) 2.533 3.781 ( -7.009 -3.182 0.000) 7.698 4.112 ( 2.184 -1.666 0.000) 2.747 4.222 ( -41.692 -0.198 0.000) 41.693 4.313 ( -32.551 -0.110 0.000) 32.552 4.469 ( -1.958 1.367 0.000) 2.388 4.615 ( -4.430 -1.832 0.000) 4.794 4.844 ( 0.007 -3.883 0.000) 3.883 5.001 ( 1.665 -6.645 0.000) 6.850 5.909 ( -25.606 -2.442 0.000) 25.722 6.198 ( -5.902 1.953 0.000) 6.217 6.215 ( -11.018 -1.762 0.000) 11.158 6.308 ( -17.868 -0.637 0.000) 17.879 6.848 ( 9.018 -0.062 0.000) 9.018 6.876 ( 15.480 0.194 0.000) 15.481 6.884 ( 9.812 -1.669 0.000) 9.953 7.188 ( 4.354 -6.673 0.000) 7.968 8.522 ( 14.881 -0.854 0.000) 14.905 8.704 ( 15.811 0.640 0.000) 15.824 8.844 ( -5.660 -2.529 0.000) 6.199 9.042 ( -5.512 -6.111 0.000) 8.229 9.162 ( 2.998 1.129 0.000) 3.203 9.500 ( -1.666 3.324 0.000) 3.718 9.621 ( 12.524 4.167 0.000) 13.199 9.663 ( -13.689 -0.605 0.000) 13.702 9.709 ( 0.679 1.910 0.000) 2.027 9.742 ( -6.176 -0.540 0.000) 6.199 12.317 ( -4.164 -0.241 0.000) 4.171 12.445 ( -13.398 -4.019 0.000) 13.988 14.005 ( 7.783 0.998 0.000) 7.847 14.054 ( 4.155 0.658 0.000) 4.206 20.698 ( -25.232 0.015 0.000) 25.232 20.984 ( -29.224 -11.654 0.000) 31.462 21.792 ( -2.429 2.471 0.000) 3.465 22.026 ( 4.701 -8.754 0.000) 9.936 22.821 ( 2.329 2.647 0.000) 3.526 22.893 ( 5.160 7.263 0.000) 8.909 23.379 ( 12.215 -1.979 0.000) 12.375 24.018 ( 14.432 5.948 0.000) 15.609 24.515 ( -4.464 0.243 0.000) 4.470 24.569 ( 1.706 -4.403 0.000) 4.722 25.007 ( 1.300 0.181 0.000) 1.313 25.106 ( 6.469 -1.310 0.000) 6.601 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -11.203 13.934 0.000) 17.879 1.085 ( -21.436 12.724 0.000) 24.928 1.538 ( -5.394 7.165 0.000) 8.968 1.544 ( 3.630 3.582 0.000) 5.100 1.652 ( -6.832 5.157 0.000) 8.560 1.729 ( 2.604 9.502 0.000) 9.853 1.744 ( -4.630 4.119 0.000) 6.197 1.811 ( -5.107 4.616 0.000) 6.884 1.885 ( -6.091 1.397 0.000) 6.250 1.893 ( -4.051 6.300 0.000) 7.490 1.980 ( -5.556 2.913 0.000) 6.273 2.045 ( -0.976 12.272 0.000) 12.311 2.110 ( 0.921 -0.365 0.000) 0.991 2.175 ( -6.828 -2.676 0.000) 7.334 2.369 ( 3.499 -3.428 0.000) 4.898 2.378 ( 0.885 -10.584 0.000) 10.621 2.447 ( 1.620 -0.515 0.000) 1.700 2.507 ( 0.266 -0.092 0.000) 0.281 2.602 ( -1.819 4.445 0.000) 4.803 2.626 ( -2.171 -2.943 0.000) 3.657 2.664 ( -1.291 6.296 0.000) 6.427 2.785 ( -6.194 0.909 0.000) 6.260 2.951 ( -6.020 -2.211 0.000) 6.413 2.980 ( -0.595 4.311 0.000) 4.352 3.031 ( 6.622 3.557 0.000) 7.517 3.176 ( -2.453 -2.818 0.000) 3.736 3.180 ( 2.912 -0.578 0.000) 2.969 3.377 ( -8.440 -0.707 0.000) 8.469 3.579 ( -17.229 -1.758 0.000) 17.318 3.614 ( -6.254 -2.109 0.000) 6.600 3.698 ( -3.693 -8.539 0.000) 9.303 3.757 ( 6.036 -2.517 0.000) 6.540 3.933 ( -9.939 1.455 0.000) 10.045 4.160 ( 1.394 -1.577 0.000) 2.105 4.440 ( 0.353 1.834 0.000) 1.867 4.571 ( -1.863 -1.131 0.000) 2.179 4.897 ( 1.067 -3.640 0.000) 3.793 5.137 ( 4.748 -9.701 0.000) 10.800 5.482 ( -20.724 -1.335 0.000) 20.767 5.992 ( -15.729 -1.427 0.000) 15.794 6.065 ( -6.979 -2.550 0.000) 7.430 6.086 ( -3.965 1.664 0.000) 4.300 6.968 ( 4.631 -0.889 0.000) 4.715 7.117 ( 10.548 -2.227 0.000) 10.780 7.124 ( 10.304 0.864 0.000) 10.340 7.403 ( 11.107 -7.199 0.000) 13.236 8.645 ( -1.485 -1.955 0.000) 2.456 8.681 ( -7.900 -1.698 0.000) 8.080 8.844 ( 1.412 -3.577 0.000) 3.845 9.163 ( -15.760 -0.021 0.000) 15.760 9.196 ( 7.379 -5.389 0.000) 9.137 9.233 ( -6.655 -0.658 0.000) 6.688 9.517 ( -1.696 1.718 0.000) 2.414 9.669 ( 2.590 4.950 0.000) 5.586 9.718 ( -0.309 -0.575 0.000) 0.652 9.853 ( 11.803 6.346 0.000) 13.400 12.275 ( -4.480 -1.690 0.000) 4.789 12.355 ( 2.935 -0.341 0.000) 2.955 14.075 ( 0.228 0.402 0.000) 0.462 14.104 ( 2.874 0.431 0.000) 2.906 20.285 ( -17.862 -0.260 0.000) 17.864 20.479 ( -34.248 -9.699 0.000) 35.595 21.747 ( -0.757 1.041 0.000) 1.287 22.176 ( 2.102 -9.635 0.000) 9.862 22.818 ( 1.056 4.543 0.000) 4.664 22.882 ( 2.566 10.434 0.000) 10.745 23.578 ( 6.506 -2.179 0.000) 6.861 24.115 ( 2.476 3.431 0.000) 4.231 24.445 ( -2.262 1.453 0.000) 2.689 24.779 ( 13.398 -4.701 0.000) 14.198 25.021 ( 0.383 -0.066 0.000) 0.388 25.264 ( 7.179 -3.893 0.000) 8.167 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 16.044 0.000) 16.044 0.642 ( 0.000 16.442 0.000) 16.442 1.345 ( 0.000 7.402 0.000) 7.402 1.384 ( 0.000 27.495 0.000) 27.495 1.589 ( 0.000 7.860 0.000) 7.860 1.598 ( 0.000 5.169 0.000) 5.169 1.693 ( 0.000 7.475 0.000) 7.475 1.709 ( 0.000 11.325 0.000) 11.325 1.737 ( 0.000 9.011 0.000) 9.011 1.835 ( 0.000 7.328 0.000) 7.328 1.867 ( -0.000 -6.144 0.000) 6.144 2.045 ( -0.000 -2.725 0.000) 2.725 2.141 ( -0.000 -3.444 0.000) 3.444 2.150 ( -0.000 -5.114 0.000) 5.114 2.431 ( -0.000 -2.814 0.000) 2.814 2.468 ( -0.000 -5.279 0.000) 5.279 2.468 ( -0.000 -0.866 0.000) 0.866 2.539 ( -0.000 -0.357 0.000) 0.357 2.561 ( -0.000 -1.721 0.000) 1.721 2.597 ( 0.000 2.296 0.000) 2.296 2.646 ( -0.000 -4.379 0.000) 4.379 2.713 ( 0.000 2.371 0.000) 2.371 2.902 ( -0.000 -1.213 0.000) 1.213 2.958 ( 0.000 0.867 0.000) 0.867 3.102 ( 0.000 3.056 0.000) 3.056 3.161 ( 0.000 1.165 0.000) 1.165 3.169 ( -0.000 -1.293 0.000) 1.293 3.286 ( 0.000 0.722 0.000) 0.722 3.376 ( -0.000 -0.670 0.000) 0.670 3.620 ( -0.000 -2.441 0.000) 2.441 3.775 ( -0.000 -7.427 0.000) 7.427 3.825 ( 0.000 1.980 0.000) 1.980 3.867 ( -0.000 -4.888 0.000) 4.888 4.190 ( -0.000 -1.501 0.000) 1.501 4.434 ( 0.000 2.284 0.000) 2.284 4.561 ( -0.000 -0.133 0.000) 0.133 4.938 ( -0.000 -2.735 0.000) 2.735 5.266 ( -0.000 -0.107 0.000) 0.107 5.320 ( -0.000 -12.876 0.000) 12.876 5.828 ( -0.000 -0.829 0.000) 0.829 6.022 ( -0.000 -2.650 0.000) 2.650 6.034 ( 0.000 1.442 0.000) 1.442 7.027 ( -0.000 -1.769 0.000) 1.769 7.224 ( -0.000 -0.022 0.000) 0.022 7.245 ( -0.000 -1.476 0.000) 1.476 7.612 ( -0.000 -6.609 0.000) 6.609 8.608 ( -0.000 -2.152 0.000) 2.152 8.638 ( -0.000 -2.519 0.000) 2.519 8.882 ( 0.000 0.299 0.000) 0.299 8.898 ( -0.000 -3.361 0.000) 3.361 9.231 ( 0.000 0.667 0.000) 0.667 9.308 ( -0.000 -5.415 0.000) 5.415 9.487 ( 0.000 1.333 0.000) 1.333 9.650 ( 0.000 6.534 0.000) 6.534 9.719 ( 0.000 0.144 0.000) 0.144 9.910 ( 0.000 6.596 0.000) 6.596 12.249 ( -0.000 -2.563 0.000) 2.563 12.411 ( 0.000 0.427 0.000) 0.427 14.068 ( 0.000 0.289 0.000) 0.289 14.127 ( 0.000 0.331 0.000) 0.331 20.105 ( 0.000 0.007 0.000) 0.007 20.109 ( 0.000 0.038 0.000) 0.038 21.736 ( 0.000 0.417 0.000) 0.417 22.284 ( -0.000 -9.596 0.000) 9.596 22.782 ( 0.000 4.903 0.000) 4.903 22.801 ( 0.000 11.394 0.000) 11.394 23.654 ( -0.000 -1.662 0.000) 1.662 24.108 ( 0.000 1.554 0.000) 1.554 24.404 ( 0.000 2.712 0.000) 2.712 25.002 ( -0.000 -7.397 0.000) 7.397 25.025 ( -0.000 -0.128 0.000) 0.128 25.391 ( -0.000 -5.783 0.000) 5.783 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.607 -0.000 0.000) 0.607 1.591 ( 1.401 0.000 0.000) 1.401 1.634 ( -4.151 -0.000 0.000) 4.151 1.683 ( -9.263 -0.000 0.000) 9.263 1.693 ( 0.553 0.000 0.000) 0.553 1.837 ( 3.710 0.000 0.000) 3.710 1.861 ( -3.194 -0.000 0.000) 3.194 1.915 ( -2.429 -0.000 0.000) 2.429 1.937 ( 4.372 0.000 0.000) 4.372 2.018 ( 0.930 0.000 0.000) 0.930 2.022 ( -5.556 -0.000 0.000) 5.556 2.117 ( 2.038 0.000 0.000) 2.038 2.221 ( -0.822 -0.000 0.000) 0.822 2.323 ( 0.699 0.000 0.000) 0.699 2.364 ( 5.867 0.000 0.000) 5.867 2.375 ( -1.709 -0.000 0.000) 1.709 2.536 ( -2.911 -0.000 0.000) 2.911 2.564 ( -1.453 -0.000 0.000) 1.453 2.744 ( 1.439 0.000 0.000) 1.439 2.786 ( 7.551 0.000 0.000) 7.551 2.840 ( 2.534 0.000 0.000) 2.534 2.983 ( 4.707 0.000 0.000) 4.707 2.992 ( -1.641 -0.000 0.000) 1.641 2.998 ( 2.447 0.000 0.000) 2.447 3.080 ( -4.164 -0.000 0.000) 4.164 3.238 ( -1.523 0.000 0.000) 1.523 3.238 ( -1.027 0.000 0.000) 1.027 3.260 ( -10.943 -0.000 0.000) 10.943 3.716 ( -10.687 -0.000 0.000) 10.687 3.744 ( -1.463 -0.000 0.000) 1.463 3.827 ( -0.067 -0.000 0.000) 0.067 4.032 ( 2.129 0.000 0.000) 2.129 4.549 ( -4.502 -0.000 0.000) 4.502 4.676 ( -5.520 -0.000 0.000) 5.520 4.680 ( -0.791 -0.000 0.000) 0.791 4.865 ( -4.504 -0.000 0.000) 4.504 5.088 ( -41.388 -0.000 0.000) 41.388 5.150 ( -45.022 -0.000 0.000) 45.022 6.310 ( -20.531 -0.000 0.000) 20.531 6.339 ( -5.170 -0.000 0.000) 5.170 6.423 ( -13.713 -0.000 0.000) 13.713 6.551 ( 13.781 0.000 0.000) 13.781 6.649 ( 8.952 0.000 0.000) 8.952 6.653 ( -18.605 -0.000 0.000) 18.605 6.758 ( 4.953 0.000 0.000) 4.953 7.081 ( -0.152 -0.000 0.000) 0.152 8.107 ( 27.769 0.000 0.000) 27.769 8.174 ( 36.721 0.000 0.000) 36.721 8.978 ( -9.090 -0.000 0.000) 9.090 9.140 ( 1.788 0.000 0.000) 1.788 9.164 ( -12.990 -0.000 0.000) 12.990 9.436 ( 11.626 0.000 0.000) 11.626 9.585 ( 1.388 0.000 0.000) 1.388 9.643 ( 1.033 0.000 0.000) 1.033 9.742 ( -2.609 -0.000 0.000) 2.609 10.000 ( -8.671 -0.000 0.000) 8.671 12.492 ( -16.814 -0.000 0.000) 16.814 12.691 ( -19.716 -0.000 0.000) 19.716 13.842 ( 12.545 0.000 0.000) 12.545 13.933 ( 10.682 0.000 0.000) 10.682 21.190 ( -26.406 -0.000 0.000) 26.406 21.252 ( -17.554 -0.000 0.000) 17.554 21.770 ( 7.879 0.000 0.000) 7.879 21.948 ( -7.786 -0.000 0.000) 7.786 22.778 ( 4.769 0.000 0.000) 4.769 22.866 ( 7.594 0.000 0.000) 7.594 23.114 ( 12.548 0.000 0.000) 12.548 23.773 ( 20.467 0.000 0.000) 20.467 24.593 ( -9.370 -0.000 0.000) 9.370 24.613 ( -6.698 -0.000 0.000) 6.698 24.982 ( 4.939 0.000 0.000) 4.939 24.993 ( 1.619 0.000 0.000) 1.619 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -11.726 8.540 0.000) 14.506 1.520 ( -2.419 -3.975 0.000) 4.653 1.567 ( -2.943 3.855 0.000) 4.850 1.613 ( 0.904 -0.699 0.000) 1.143 1.681 ( -1.727 -1.306 0.000) 2.165 1.828 ( -0.269 0.480 0.000) 0.550 1.892 ( -0.753 0.541 0.000) 0.927 1.900 ( 3.372 2.908 0.000) 4.452 1.933 ( 1.297 3.664 0.000) 3.887 2.003 ( -1.954 0.801 0.000) 2.112 2.064 ( 1.301 -8.144 0.000) 8.247 2.100 ( -12.240 -0.769 0.000) 12.264 2.191 ( 4.124 -1.301 0.000) 4.324 2.328 ( 0.059 6.202 0.000) 6.203 2.346 ( -1.333 2.498 0.000) 2.831 2.383 ( -2.388 -1.199 0.000) 2.672 2.500 ( -2.140 -2.149 0.000) 3.033 2.515 ( -3.088 2.034 0.000) 3.698 2.750 ( 0.220 2.182 0.000) 2.193 2.811 ( -2.229 9.879 0.000) 10.127 2.864 ( 1.510 4.839 0.000) 5.070 2.964 ( -5.108 2.278 0.000) 5.593 3.011 ( 3.795 -1.670 0.000) 4.147 3.018 ( -10.249 -1.635 0.000) 10.379 3.032 ( 4.414 1.102 0.000) 4.549 3.069 ( -4.395 -6.236 0.000) 7.630 3.192 ( 0.935 4.470 0.000) 4.567 3.308 ( 1.562 -6.912 0.000) 7.086 3.534 ( -8.107 -1.021 0.000) 8.171 3.713 ( -0.553 1.418 0.000) 1.522 3.743 ( -9.933 -1.048 0.000) 9.988 4.080 ( 2.282 -1.254 0.000) 2.604 4.219 ( -41.807 -0.052 0.000) 41.807 4.311 ( -31.033 -0.086 0.000) 31.034 4.489 ( -1.677 0.682 0.000) 1.810 4.586 ( -4.418 -1.075 0.000) 4.546 4.781 ( -0.395 -2.187 0.000) 2.222 4.899 ( -0.443 -3.349 0.000) 3.378 5.874 ( -25.064 -1.083 0.000) 25.088 6.192 ( -11.495 -0.632 0.000) 11.512 6.224 ( -6.268 0.766 0.000) 6.314 6.293 ( -19.744 -0.629 0.000) 19.754 6.843 ( 11.360 -0.399 0.000) 11.367 6.865 ( 6.195 -0.285 0.000) 6.202 6.883 ( 20.175 0.339 0.000) 20.178 7.097 ( 1.191 -2.725 0.000) 2.974 8.513 ( 15.126 -0.187 0.000) 15.127 8.716 ( 16.783 0.546 0.000) 16.791 8.812 ( -7.686 -0.897 0.000) 7.738 8.953 ( -6.825 -2.822 0.000) 7.385 9.180 ( 2.732 0.630 0.000) 2.804 9.565 ( -2.710 3.362 0.000) 4.318 9.633 ( -9.870 -2.443 0.000) 10.168 9.687 ( 12.383 2.734 0.000) 12.681 9.721 ( 4.086 -0.551 0.000) 4.123 9.735 ( -11.338 -0.128 0.000) 11.339 12.321 ( -1.966 0.253 0.000) 1.983 12.393 ( -12.878 -1.462 0.000) 12.961 14.021 ( 7.209 0.514 0.000) 7.227 14.062 ( 3.656 0.178 0.000) 3.660 20.700 ( -25.810 0.118 0.000) 25.811 20.849 ( -27.211 -3.437 0.000) 27.427 21.828 ( -4.108 1.261 0.000) 4.297 21.910 ( 5.138 -3.460 0.000) 6.194 22.860 ( 4.128 1.253 0.000) 4.314 22.991 ( 6.778 2.841 0.000) 7.349 23.346 ( 11.499 -1.164 0.000) 11.558 24.115 ( 15.681 3.666 0.000) 16.104 24.467 ( -4.950 -3.597 0.000) 6.119 24.533 ( -0.490 -0.010 0.000) 0.490 25.013 ( 0.910 0.306 0.000) 0.960 25.084 ( 5.621 -0.778 0.000) 5.675 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -9.452 11.490 0.000) 14.878 1.311 ( -18.298 11.417 0.000) 21.568 1.546 ( 0.883 -2.873 0.000) 3.006 1.631 ( 0.398 3.293 0.000) 3.317 1.677 ( -0.371 -3.571 0.000) 3.590 1.796 ( -13.611 0.198 0.000) 13.612 1.806 ( -0.860 3.513 0.000) 3.617 1.892 ( 2.777 6.652 0.000) 7.209 1.901 ( -2.089 0.169 0.000) 2.096 1.956 ( 0.549 1.292 0.000) 1.404 1.972 ( -1.829 -0.730 0.000) 1.970 2.124 ( -13.622 -2.115 0.000) 13.786 2.159 ( 1.001 -6.017 0.000) 6.100 2.229 ( 0.953 4.377 0.000) 4.480 2.322 ( 3.089 -0.797 0.000) 3.191 2.378 ( -1.374 8.088 0.000) 8.203 2.449 ( 0.466 0.901 0.000) 1.014 2.492 ( -0.499 -1.921 0.000) 1.985 2.660 ( -1.451 11.214 0.000) 11.307 2.675 ( -6.953 3.187 0.000) 7.649 2.802 ( -3.979 1.481 0.000) 4.246 2.803 ( -1.290 7.227 0.000) 7.341 2.907 ( -4.940 -2.336 0.000) 5.465 3.049 ( -0.280 0.708 0.000) 0.761 3.095 ( -1.320 -5.930 0.000) 6.075 3.116 ( 6.182 5.216 0.000) 8.088 3.193 ( 2.719 3.563 0.000) 4.482 3.353 ( -3.193 -2.348 0.000) 3.963 3.501 ( 0.387 -6.119 0.000) 6.131 3.563 ( -8.364 -5.694 0.000) 10.118 3.585 ( -23.175 -0.801 0.000) 23.189 3.729 ( 3.028 -0.561 0.000) 3.080 3.959 ( -9.413 1.140 0.000) 9.482 4.129 ( 1.363 -1.482 0.000) 2.013 4.467 ( -0.041 1.119 0.000) 1.120 4.542 ( -1.730 -1.789 0.000) 2.489 4.821 ( 0.793 -3.887 0.000) 3.967 4.960 ( 1.297 -8.035 0.000) 8.139 5.460 ( -19.078 -0.943 0.000) 19.101 5.965 ( -15.275 -1.208 0.000) 15.323 6.024 ( -7.358 -1.682 0.000) 7.548 6.113 ( -4.330 1.089 0.000) 4.465 6.960 ( 4.274 -0.122 0.000) 4.276 7.073 ( 10.150 -2.132 0.000) 10.371 7.115 ( 3.836 -1.458 0.000) 4.104 7.309 ( 17.682 -2.685 0.000) 17.885 8.614 ( -3.117 -1.162 0.000) 3.327 8.655 ( -9.158 -1.031 0.000) 9.216 8.789 ( 3.068 -2.170 0.000) 3.758 9.110 ( 7.613 -3.560 0.000) 8.405 9.171 ( -22.643 0.609 0.000) 22.652 9.229 ( -0.278 0.056 0.000) 0.284 9.545 ( -1.738 1.201 0.000) 2.112 9.702 ( 0.015 -0.899 0.000) 0.899 9.741 ( 4.035 2.727 0.000) 4.870 9.952 ( 12.289 3.944 0.000) 12.906 12.237 ( -5.717 -1.728 0.000) 5.973 12.367 ( 5.401 0.923 0.000) 5.479 14.082 ( -0.155 0.318 0.000) 0.354 14.110 ( 2.805 0.254 0.000) 2.817 20.282 ( -17.629 -0.079 0.000) 17.629 20.368 ( -25.485 -3.222 0.000) 25.688 21.765 ( -1.714 0.777 0.000) 1.881 22.027 ( 2.643 -5.877 0.000) 6.444 22.896 ( 1.995 3.390 0.000) 3.934 23.047 ( 3.751 6.589 0.000) 7.582 23.536 ( 6.712 -2.056 0.000) 7.020 24.206 ( 1.968 6.200 0.000) 6.505 24.443 ( -1.872 -2.189 0.000) 2.880 24.674 ( 10.221 -5.201 0.000) 11.468 25.022 ( 0.399 0.186 0.000) 0.440 25.201 ( 4.916 -2.602 0.000) 5.563 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 14.475 0.000) 14.475 0.932 ( 0.000 14.468 0.000) 14.468 1.496 ( 0.000 8.290 0.000) 8.290 1.591 ( -0.000 -3.040 0.000) 3.040 1.637 ( 0.000 5.521 0.000) 5.521 1.736 ( 0.000 7.346 0.000) 7.346 1.736 ( -0.000 -7.378 0.000) 7.378 1.881 ( 0.000 7.414 0.000) 7.414 1.892 ( 0.000 7.076 0.000) 7.076 1.904 ( 0.000 4.107 0.000) 4.107 1.956 ( 0.000 0.512 0.000) 0.512 2.035 ( -0.000 -7.179 0.000) 7.179 2.145 ( 0.000 5.622 0.000) 5.622 2.207 ( 0.000 21.476 0.000) 21.476 2.284 ( -0.000 -10.591 0.000) 10.591 2.377 ( -0.000 -2.793 0.000) 2.793 2.460 ( -0.000 -0.018 0.000) 0.018 2.538 ( 0.000 0.159 0.000) 0.159 2.541 ( -0.000 -1.118 0.000) 1.118 2.590 ( 0.000 0.650 0.000) 0.650 2.721 ( 0.000 8.195 0.000) 8.195 2.756 ( 0.000 2.143 0.000) 2.143 2.874 ( -0.000 -1.792 0.000) 1.792 3.012 ( 0.000 4.605 0.000) 4.605 3.124 ( -0.000 -3.791 0.000) 3.791 3.163 ( 0.000 3.241 0.000) 3.241 3.182 ( 0.000 0.994 0.000) 0.994 3.301 ( 0.000 0.851 0.000) 0.851 3.362 ( -0.000 -0.751 0.000) 0.751 3.551 ( -0.000 -4.913 0.000) 4.913 3.622 ( -0.000 -8.817 0.000) 8.817 3.792 ( -0.000 -3.075 0.000) 3.075 3.861 ( 0.000 1.728 0.000) 1.728 4.157 ( -0.000 -1.784 0.000) 1.784 4.460 ( 0.000 0.941 0.000) 0.941 4.546 ( -0.000 -1.625 0.000) 1.625 4.869 ( -0.000 -4.396 0.000) 4.396 5.078 ( -0.000 -12.137 0.000) 12.137 5.265 ( -0.000 -0.001 0.000) 0.001 5.814 ( -0.000 -0.680 0.000) 0.680 5.972 ( -0.000 -2.449 0.000) 2.449 6.060 ( 0.000 1.274 0.000) 1.274 7.006 ( -0.000 -0.568 0.000) 0.568 7.181 ( -0.000 -4.049 0.000) 4.049 7.202 ( -0.000 -2.723 0.000) 2.723 7.535 ( -0.000 -1.774 0.000) 1.774 8.569 ( -0.000 -1.869 0.000) 1.869 8.591 ( -0.000 -2.346 0.000) 2.346 8.845 ( -0.000 -2.214 0.000) 2.214 8.887 ( 0.000 0.262 0.000) 0.262 9.211 ( -0.000 -4.692 0.000) 4.692 9.243 ( 0.000 0.589 0.000) 0.589 9.514 ( 0.000 1.460 0.000) 1.460 9.712 ( -0.000 -0.778 0.000) 0.778 9.755 ( 0.000 4.549 0.000) 4.549 10.028 ( 0.000 5.605 0.000) 5.605 12.202 ( -0.000 -2.118 0.000) 2.118 12.426 ( 0.000 0.928 0.000) 0.928 14.073 ( 0.000 0.260 0.000) 0.260 14.133 ( 0.000 0.295 0.000) 0.295 20.105 ( 0.000 0.013 0.000) 0.013 20.109 ( 0.000 0.027 0.000) 0.027 21.745 ( 0.000 0.508 0.000) 0.508 22.115 ( -0.000 -7.867 0.000) 7.867 22.875 ( 0.000 4.700 0.000) 4.700 23.005 ( 0.000 9.626 0.000) 9.626 23.618 ( -0.000 -2.107 0.000) 2.107 24.166 ( 0.000 4.767 0.000) 4.767 24.434 ( 0.000 0.250 0.000) 0.250 24.853 ( -0.000 -7.994 0.000) 7.994 25.024 ( 0.000 0.104 0.000) 0.104 25.289 ( -0.000 -4.758 0.000) 4.758 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -9.657 -0.000 0.000) 9.657 1.469 ( -19.225 -0.000 0.000) 19.225 1.498 ( 0.522 0.000 0.000) 0.522 1.576 ( -1.606 -0.000 0.000) 1.606 1.666 ( 2.713 0.000 0.000) 2.713 1.815 ( -6.656 -0.000 0.000) 6.656 1.843 ( 1.023 0.000 0.000) 1.023 1.924 ( -1.683 -0.000 0.000) 1.683 1.940 ( -5.700 -0.000 0.000) 5.700 1.967 ( 2.679 0.000 0.000) 2.679 1.990 ( 0.123 0.000 0.000) 0.123 2.036 ( 1.804 0.000 0.000) 1.804 2.102 ( -16.701 -0.000 0.000) 16.701 2.267 ( 4.404 0.000 0.000) 4.404 2.392 ( 3.019 0.000 0.000) 3.019 2.411 ( 1.877 0.000 0.000) 1.877 2.436 ( -3.056 -0.000 0.000) 3.056 2.457 ( -3.060 -0.000 0.000) 3.060 2.708 ( -10.507 -0.000 0.000) 10.507 2.810 ( -2.889 -0.000 0.000) 2.889 2.875 ( 1.324 0.000 0.000) 1.324 2.877 ( -4.764 -0.000 0.000) 4.764 2.932 ( 1.436 0.000 0.000) 1.436 2.985 ( -1.981 -0.000 0.000) 1.981 2.996 ( 3.212 0.000 0.000) 3.212 3.200 ( 4.404 0.000 0.000) 4.404 3.263 ( -3.476 -0.000 0.000) 3.476 3.290 ( 6.684 0.000 0.000) 6.684 3.434 ( -1.547 -0.000 0.000) 1.547 3.493 ( -11.039 -0.000 0.000) 11.039 3.579 ( -24.651 -0.000 0.000) 24.651 3.727 ( 1.529 0.000 0.000) 1.529 3.970 ( -9.219 -0.000 0.000) 9.219 4.114 ( 1.734 0.000 0.000) 1.734 4.480 ( -0.066 -0.000 0.000) 0.066 4.519 ( -2.054 -0.000 0.000) 2.054 4.779 ( 0.684 0.000 0.000) 0.684 4.878 ( 0.125 0.000 0.000) 0.125 5.451 ( -18.346 -0.000 0.000) 18.346 5.953 ( -14.857 -0.000 0.000) 14.857 6.007 ( -7.515 -0.000 0.000) 7.515 6.123 ( -4.471 -0.000 0.000) 4.471 6.959 ( 4.155 0.000 0.000) 4.155 7.051 ( 9.883 0.000 0.000) 9.883 7.097 ( 0.729 0.000 0.000) 0.729 7.288 ( 20.716 0.000 0.000) 20.716 8.604 ( -4.008 -0.000 0.000) 4.008 8.645 ( -9.863 -0.000 0.000) 9.863 8.769 ( 4.142 0.000 0.000) 4.142 9.075 ( 7.743 0.000 0.000) 7.743 9.178 ( -25.566 -0.000 0.000) 25.566 9.230 ( 2.155 0.000 0.000) 2.155 9.557 ( -1.748 -0.000 0.000) 1.748 9.693 ( 0.202 0.000 0.000) 0.202 9.767 ( 4.508 0.000 0.000) 4.508 9.990 ( 12.543 0.000 0.000) 12.543 12.220 ( -5.417 -0.000 0.000) 5.417 12.377 ( 5.410 0.000 0.000) 5.410 14.085 ( -0.388 -0.000 0.000) 0.388 14.113 ( 2.843 0.000 0.000) 2.843 20.282 ( -17.596 -0.000 0.000) 17.596 20.340 ( -23.055 -0.000 0.000) 23.055 21.773 ( -2.119 -0.000 0.000) 2.119 21.970 ( 2.825 0.000 0.000) 2.825 22.930 ( 2.356 0.000 0.000) 2.356 23.110 ( 4.164 0.000 0.000) 4.164 23.514 ( 6.855 0.000 0.000) 6.855 24.309 ( 3.042 0.000 0.000) 3.042 24.378 ( -2.048 -0.000 0.000) 2.048 24.624 ( 8.515 0.000 0.000) 8.515 25.025 ( 0.375 0.000 0.000) 0.375 25.175 ( 4.140 0.000 0.000) 4.140 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 7.204 0.000) 7.204 1.159 ( 0.000 8.554 0.000) 8.554 1.520 ( -0.000 -3.322 0.000) 3.322 1.550 ( -0.000 -4.386 0.000) 4.386 1.703 ( 0.000 6.335 0.000) 6.335 1.705 ( 0.000 2.007 0.000) 2.007 1.840 ( 0.000 3.237 0.000) 3.237 1.891 ( -0.000 -7.650 0.000) 7.650 1.915 ( -0.000 -0.072 0.000) 0.072 1.966 ( 0.000 3.690 0.000) 3.690 1.972 ( 0.000 0.069 0.000) 0.069 1.983 ( 0.000 2.458 0.000) 2.458 2.096 ( -0.000 -7.248 0.000) 7.248 2.329 ( 0.000 9.207 0.000) 9.207 2.337 ( -0.000 -1.265 0.000) 1.265 2.408 ( 0.000 2.792 0.000) 2.792 2.444 ( -0.000 -1.761 0.000) 1.761 2.492 ( -0.000 -4.229 0.000) 4.229 2.542 ( 0.000 0.196 0.000) 0.196 2.793 ( 0.000 1.744 0.000) 1.744 2.802 ( 0.000 15.918 0.000) 15.918 2.839 ( -0.000 -1.777 0.000) 1.777 2.878 ( 0.000 8.361 0.000) 8.361 3.024 ( -0.000 -6.817 0.000) 6.817 3.071 ( -0.000 -0.975 0.000) 0.975 3.195 ( 0.000 0.382 0.000) 0.382 3.224 ( 0.000 3.470 0.000) 3.470 3.315 ( 0.000 0.566 0.000) 0.566 3.350 ( -0.000 -0.511 0.000) 0.511 3.456 ( -0.000 -4.060 0.000) 4.060 3.468 ( -0.000 -6.367 0.000) 6.367 3.754 ( -0.000 -0.985 0.000) 0.985 3.884 ( 0.000 0.683 0.000) 0.683 4.134 ( -0.000 -0.582 0.000) 0.582 4.476 ( 0.000 0.795 0.000) 0.795 4.511 ( -0.000 -1.669 0.000) 1.669 4.798 ( -0.000 -2.406 0.000) 2.406 4.906 ( -0.000 -5.293 0.000) 5.293 5.266 ( 0.000 0.024 0.000) 0.024 5.805 ( -0.000 -0.244 0.000) 0.244 5.939 ( -0.000 -1.011 0.000) 1.011 6.077 ( 0.000 0.506 0.000) 0.506 7.001 ( -0.000 -0.056 0.000) 0.056 7.115 ( -0.000 -2.160 0.000) 2.160 7.160 ( -0.000 -1.409 0.000) 1.409 7.522 ( -0.000 -0.138 0.000) 0.138 8.545 ( -0.000 -0.691 0.000) 0.691 8.558 ( -0.000 -1.003 0.000) 1.003 8.817 ( -0.000 -0.744 0.000) 0.744 8.891 ( 0.000 0.103 0.000) 0.103 9.147 ( -0.000 -1.870 0.000) 1.870 9.251 ( 0.000 0.233 0.000) 0.233 9.535 ( 0.000 0.639 0.000) 0.639 9.698 ( -0.000 -0.499 0.000) 0.499 9.813 ( 0.000 1.605 0.000) 1.605 10.103 ( 0.000 2.162 0.000) 2.162 12.176 ( -0.000 -0.705 0.000) 0.705 12.439 ( 0.000 0.387 0.000) 0.387 14.076 ( 0.000 0.104 0.000) 0.104 14.137 ( 0.000 0.118 0.000) 0.118 20.105 ( 0.000 0.006 0.000) 0.006 20.109 ( 0.000 0.009 0.000) 0.009 21.752 ( 0.000 0.238 0.000) 0.238 22.011 ( -0.000 -2.991 0.000) 2.991 22.942 ( 0.000 2.086 0.000) 2.086 23.133 ( 0.000 3.665 0.000) 3.665 23.585 ( -0.000 -1.108 0.000) 1.108 24.278 ( 0.000 6.737 0.000) 6.737 24.399 ( -0.000 -4.289 0.000) 4.289 24.736 ( -0.000 -3.621 0.000) 3.621 25.028 ( 0.000 0.152 0.000) 0.152 25.225 ( -0.000 -1.878 0.000) 1.878 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 0.000 0.000 17.709) 17.709 0.406 ( 0.000 0.000 20.826) 20.826 0.751 ( 0.000 0.000 38.212) 38.212 1.051 ( 0.000 0.000 -12.477) 12.477 1.065 ( 0.000 0.000 -19.702) 19.702 1.484 ( 0.000 0.000 4.087) 4.087 1.526 ( 0.000 0.000 0.815) 0.815 1.654 ( 0.000 0.000 4.325) 4.325 1.660 ( 0.000 0.000 -1.951) 1.951 1.886 ( 0.000 0.000 12.442) 12.442 2.013 ( 0.000 0.000 2.769) 2.769 2.018 ( 0.000 0.000 -11.854) 11.854 2.192 ( 0.000 0.000 -5.018) 5.018 2.248 ( 0.000 0.000 -13.070) 13.070 2.347 ( 0.000 0.000 0.876) 0.876 2.485 ( 0.000 0.000 -3.999) 3.999 2.509 ( 0.000 0.000 1.690) 1.690 2.520 ( 0.000 0.000 -0.226) 0.226 2.562 ( 0.000 0.000 -0.901) 0.901 2.648 ( 0.000 0.000 -6.617) 6.617 2.679 ( 0.000 0.000 3.753) 3.753 2.812 ( 0.000 0.000 0.711) 0.711 2.873 ( 0.000 0.000 -5.135) 5.135 2.875 ( 0.000 0.000 -4.673) 4.673 3.069 ( 0.000 0.000 6.634) 6.634 3.181 ( 0.000 0.000 4.345) 4.345 3.274 ( 0.000 0.000 0.012) 0.012 3.291 ( 0.000 0.000 -3.418) 3.418 3.371 ( 0.000 0.000 10.230) 10.230 3.411 ( 0.000 0.000 2.496) 2.496 3.616 ( 0.000 0.000 -2.702) 2.702 3.683 ( 0.000 0.000 -9.014) 9.014 4.199 ( 0.000 0.000 11.925) 11.925 4.288 ( 0.000 0.000 2.171) 2.171 4.565 ( 0.000 0.000 1.113) 1.113 4.919 ( 0.000 0.000 -6.844) 6.844 4.994 ( 0.000 0.000 2.079) 2.079 5.150 ( 0.000 0.000 -6.755) 6.755 5.396 ( 0.000 0.000 12.123) 12.123 5.883 ( 0.000 0.000 3.578) 3.578 5.904 ( 0.000 0.000 -9.857) 9.857 6.047 ( 0.000 0.000 -3.312) 3.312 7.122 ( 0.000 0.000 2.243) 2.243 7.214 ( 0.000 0.000 -0.143) 0.143 7.273 ( 0.000 0.000 6.489) 6.489 7.653 ( 0.000 0.000 -8.485) 8.485 8.660 ( 0.000 0.000 0.411) 0.411 8.687 ( 0.000 0.000 -0.637) 0.637 8.933 ( 0.000 0.000 5.625) 5.625 9.067 ( 0.000 0.000 6.594) 6.594 9.172 ( 0.000 0.000 -4.549) 4.549 9.367 ( 0.000 0.000 -6.579) 6.579 9.497 ( 0.000 0.000 3.572) 3.572 9.663 ( 0.000 0.000 -3.419) 3.419 9.744 ( 0.000 0.000 1.071) 1.071 9.759 ( 0.000 0.000 0.080) 0.080 12.299 ( 0.000 0.000 1.195) 1.195 12.348 ( 0.000 0.000 -0.896) 0.896 14.070 ( 0.000 0.000 0.875) 0.875 14.111 ( 0.000 0.000 -0.854) 0.854 20.105 ( 0.000 0.000 0.040) 0.040 20.107 ( 0.000 0.000 -0.040) 0.040 22.489 ( 0.000 0.000 -0.612) 0.612 22.511 ( 0.000 0.000 -0.871) 0.871 22.620 ( 0.000 0.000 6.234) 6.234 22.895 ( 0.000 0.000 -6.243) 6.243 23.739 ( 0.000 0.000 5.143) 5.143 23.974 ( 0.000 0.000 -6.045) 6.045 24.179 ( 0.000 0.000 4.051) 4.051 24.294 ( 0.000 0.000 -1.792) 1.792 25.541 ( 0.000 0.000 1.218) 1.218 25.596 ( 0.000 0.000 -1.071) 1.071 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 14.132 -8.752 11.222) 20.056 0.699 ( 14.244 -6.366 16.924) 23.018 1.084 ( 19.943 -6.429 5.890) 21.766 1.177 ( 15.993 -6.105 0.035) 17.118 1.262 ( 10.497 -2.690 -11.618) 15.887 1.537 ( 6.143 -0.220 2.373) 6.590 1.557 ( 4.312 -2.638 0.896) 5.133 1.705 ( 5.398 -1.264 2.003) 5.894 1.732 ( 5.208 -1.224 -0.100) 5.351 1.881 ( 2.289 1.374 8.239) 8.661 2.007 ( 1.309 0.226 -5.395) 5.556 2.075 ( 4.838 0.415 2.577) 5.497 2.239 ( -0.523 0.569 -12.317) 12.342 2.261 ( 4.794 1.231 -2.907) 5.740 2.295 ( -1.165 -1.680 -0.076) 2.046 2.450 ( -3.132 0.759 -1.450) 3.534 2.486 ( -2.583 0.097 0.519) 2.637 2.493 ( -2.134 1.505 -0.827) 2.739 2.531 ( -2.376 -0.712 -0.798) 2.606 2.620 ( -0.779 1.309 -4.721) 4.961 2.705 ( 1.660 0.712 1.003) 2.066 2.845 ( 3.969 1.541 1.207) 4.425 2.858 ( -1.087 0.622 -5.912) 6.043 2.954 ( 5.854 0.669 -3.727) 6.972 3.031 ( -1.197 0.969 5.619) 5.826 3.194 ( -2.921 0.964 -2.969) 4.275 3.357 ( 1.801 1.288 8.791) 9.065 3.432 ( 13.545 3.541 -2.493) 14.220 3.532 ( 12.147 -5.227 -8.472) 15.705 3.613 ( 2.398 0.657 -2.265) 3.364 3.646 ( 22.575 1.139 -3.603) 22.889 3.803 ( 13.519 -0.753 -7.047) 15.264 4.058 ( -10.296 1.088 12.747) 16.421 4.298 ( -1.167 -0.978 1.347) 2.033 4.572 ( 0.804 2.510 -0.670) 2.720 4.629 ( -9.801 10.884 5.407) 15.613 4.961 ( -2.235 -0.371 0.877) 2.429 5.064 ( -10.144 -13.555 -3.046) 17.202 5.638 ( 21.280 0.142 11.607) 24.240 5.988 ( 10.379 1.666 1.342) 10.597 6.048 ( 8.831 -0.998 -2.318) 9.184 6.123 ( 7.769 0.898 -2.381) 8.175 7.060 ( -6.345 0.367 1.835) 6.616 7.104 ( -9.630 -0.100 0.696) 9.655 7.183 ( -8.441 0.817 6.417) 10.635 7.564 ( -7.613 2.764 -8.781) 11.946 8.713 ( 1.157 0.735 0.600) 1.496 8.733 ( 5.515 0.645 -0.292) 5.560 9.042 ( -0.038 3.230 4.741) 5.737 9.139 ( 9.956 0.964 -7.796) 12.682 9.178 ( 2.097 -1.283 -4.459) 5.092 9.304 ( -5.049 2.075 -5.184) 7.528 9.499 ( -0.094 -0.875 3.843) 3.943 9.637 ( -2.501 1.032 0.788) 2.818 9.675 ( -8.568 -2.957 1.646) 9.212 9.695 ( -1.225 -0.963 -1.129) 1.924 12.337 ( 5.919 2.898 1.431) 6.744 12.410 ( 6.805 0.795 -1.784) 7.080 14.075 ( -0.334 -0.062 0.920) 0.981 14.102 ( -2.404 0.195 0.344) 2.436 20.323 ( 20.936 0.378 3.112) 21.170 20.817 ( 44.796 9.276 -35.403) 57.846 22.425 ( 1.591 18.876 5.833) 19.821 22.508 ( 1.012 4.846 -0.907) 5.033 22.609 ( 0.153 0.231 5.485) 5.492 22.759 ( -1.430 10.531 3.222) 11.106 23.662 ( -7.795 0.180 4.400) 8.953 23.873 ( -20.216 -17.136 -4.275) 26.844 24.333 ( 6.596 -7.121 -1.165) 9.777 24.361 ( 6.139 -4.521 -1.944) 7.868 25.256 ( -17.393 2.269 11.100) 20.757 25.385 ( -13.509 1.745 -0.137) 13.622 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 16.715 -7.487 6.610) 19.472 1.036 ( 13.647 -10.725 9.432) 19.754 1.311 ( 6.610 -6.139 -6.270) 10.986 1.399 ( 5.302 -3.737 -8.093) 10.372 1.617 ( 7.621 0.502 -0.573) 7.659 1.675 ( 3.176 0.301 -3.129) 4.469 1.714 ( 15.294 -6.885 9.010) 19.040 1.827 ( 4.743 0.799 0.323) 4.821 1.837 ( 6.608 -3.517 1.387) 7.613 1.952 ( 3.321 -0.474 0.275) 3.366 1.973 ( -1.620 0.535 -0.045) 1.707 2.208 ( 4.108 0.884 -0.410) 4.222 2.233 ( 3.139 2.018 0.117) 3.734 2.312 ( 0.015 1.679 5.677) 5.920 2.342 ( -2.029 -1.835 -1.934) 3.350 2.412 ( 3.119 -2.379 -4.764) 6.171 2.419 ( -1.853 0.714 -3.096) 3.678 2.468 ( 1.439 -2.401 -0.920) 2.947 2.535 ( 0.983 -2.639 -0.032) 2.816 2.602 ( 1.292 2.371 -1.680) 3.180 2.703 ( -0.598 2.672 -1.489) 3.117 2.811 ( -3.051 0.775 -6.021) 6.794 2.864 ( -2.332 -0.175 2.036) 3.101 2.995 ( 2.675 3.036 -0.913) 4.148 3.081 ( 4.357 -0.031 1.238) 4.530 3.186 ( 4.282 1.701 -1.371) 4.808 3.385 ( 2.390 0.872 6.638) 7.109 3.575 ( 1.861 1.562 -4.530) 5.140 3.615 ( 4.695 2.270 -0.769) 5.271 3.720 ( 2.656 1.703 -3.704) 4.866 3.866 ( -4.015 -1.530 4.028) 5.890 4.200 ( -4.593 4.158 -1.789) 6.449 4.255 ( 39.672 0.831 -0.112) 39.681 4.303 ( 34.607 -0.157 -1.295) 34.631 4.488 ( 3.034 1.345 5.724) 6.617 4.644 ( 5.071 0.762 -2.566) 5.734 4.922 ( -1.575 -0.227 0.460) 1.657 5.013 ( -5.217 -6.078 -3.739) 8.840 6.046 ( 21.869 1.345 5.980) 22.712 6.137 ( 8.008 2.363 1.484) 8.480 6.283 ( 11.875 0.844 -0.226) 11.907 6.298 ( 13.681 -1.317 1.005) 13.781 6.892 ( -11.125 -0.090 1.586) 11.238 6.920 ( -9.211 0.130 1.076) 9.275 6.988 ( -10.341 1.417 7.266) 12.718 7.368 ( -8.842 4.595 -8.746) 13.259 8.592 ( -15.589 0.933 2.041) 15.750 8.665 ( -17.895 -0.312 -1.378) 17.950 9.044 ( 6.172 6.358 2.660) 9.252 9.124 ( -1.629 1.776 -2.427) 3.420 9.233 ( 4.615 0.394 -0.512) 4.660 9.378 ( 7.669 0.316 -8.896) 11.750 9.506 ( -7.077 -3.272 4.631) 9.068 9.517 ( 0.114 -3.315 2.981) 4.460 9.677 ( 2.348 -2.743 -1.130) 3.784 9.708 ( 1.219 -1.136 -3.477) 3.856 12.472 ( 13.380 6.119 2.260) 14.885 12.585 ( 14.151 3.192 -2.556) 14.730 13.999 ( -8.690 -0.097 1.720) 8.859 14.027 ( -6.101 -0.563 0.210) 6.130 20.756 ( 24.157 0.805 5.880) 24.875 21.304 ( 20.193 7.610 -24.493) 32.643 22.235 ( 0.916 23.616 11.345) 26.216 22.424 ( -2.180 11.403 -1.317) 11.684 22.639 ( 0.791 -3.712 3.158) 4.938 22.725 ( 0.461 -2.154 0.988) 2.414 23.439 ( -16.792 -2.379 2.993) 17.222 23.604 ( -24.284 -16.739 -3.177) 29.665 24.486 ( 8.327 -0.587 0.874) 8.393 24.553 ( 8.055 -2.585 -2.432) 8.802 25.055 ( -5.397 0.550 3.098) 6.247 25.129 ( -10.750 0.214 -0.667) 10.772 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 14.697 -5.342 3.733) 16.077 1.374 ( 11.275 -9.716 3.350) 15.256 1.476 ( 6.938 -5.049 0.336) 8.587 1.555 ( 6.148 -4.300 -3.556) 8.303 1.672 ( 0.380 1.252 -0.049) 1.309 1.736 ( 4.067 -0.257 -8.168) 9.128 1.849 ( 2.293 3.340 -1.496) 4.319 1.874 ( -1.033 1.595 -1.823) 2.633 1.933 ( 5.210 -0.385 2.361) 5.733 1.975 ( 2.876 -0.243 0.921) 3.030 2.058 ( 0.873 -2.704 2.615) 3.861 2.181 ( -6.249 0.661 -0.882) 6.345 2.228 ( -4.028 0.747 1.366) 4.318 2.287 ( -2.726 1.920 1.745) 3.764 2.359 ( 7.295 -2.867 2.707) 8.293 2.417 ( 2.146 0.593 2.905) 3.660 2.491 ( 3.643 -3.372 -1.175) 5.101 2.545 ( 0.266 1.017 0.600) 1.210 2.599 ( 2.333 1.629 0.935) 2.995 2.611 ( -1.304 -2.219 -0.258) 2.587 2.661 ( 1.350 0.523 0.434) 1.512 2.760 ( -1.063 -0.863 -6.223) 6.372 2.864 ( 0.276 -5.235 -1.341) 5.411 2.965 ( -1.553 3.399 -5.685) 6.803 3.188 ( 5.948 0.386 3.174) 6.753 3.259 ( 3.710 0.346 1.709) 4.099 3.402 ( 0.331 2.829 2.829) 4.014 3.536 ( -2.761 2.772 -3.138) 5.015 3.668 ( 1.423 -0.274 5.684) 5.866 3.710 ( 1.335 0.081 2.100) 2.489 3.881 ( 2.417 0.863 -6.530) 7.016 4.066 ( -5.088 1.647 -3.903) 6.620 4.542 ( 5.033 -0.745 4.214) 6.606 4.721 ( 5.638 0.963 -3.756) 6.843 4.791 ( 2.222 1.137 1.206) 2.772 4.895 ( 2.601 -1.459 -2.931) 4.181 5.155 ( 40.956 0.153 1.376) 40.979 5.224 ( 41.572 0.203 -1.851) 41.613 6.253 ( 6.202 0.773 4.633) 7.780 6.386 ( 14.793 2.141 -1.325) 15.005 6.486 ( 10.503 -0.663 2.479) 10.812 6.536 ( 7.440 0.825 -0.231) 7.489 6.706 ( -7.453 0.155 3.695) 8.320 6.751 ( -8.400 0.915 1.050) 8.514 6.845 ( -0.463 -0.554 3.367) 3.444 7.170 ( -8.093 4.295 -8.690) 12.627 8.145 ( -30.000 0.714 -0.015) 30.009 8.146 ( -35.409 -0.514 -0.228) 35.413 9.105 ( 1.358 1.692 1.363) 2.562 9.131 ( 8.249 5.773 2.374) 10.344 9.282 ( -1.528 0.931 5.682) 5.957 9.404 ( -1.984 0.430 0.947) 2.240 9.519 ( 5.596 -1.936 1.892) 6.216 9.626 ( 6.625 -2.213 -5.793) 9.074 9.739 ( 1.584 -0.897 -4.101) 4.487 9.758 ( 0.140 -6.087 -3.447) 6.997 12.720 ( 20.010 7.091 3.108) 21.456 12.866 ( 19.691 4.569 -3.013) 20.438 13.776 ( -15.921 -1.250 2.315) 16.137 13.853 ( -13.770 -1.702 -0.980) 13.909 21.164 ( 19.854 -0.959 4.959) 20.487 21.526 ( 10.257 1.805 -13.008) 16.664 22.039 ( -1.879 16.515 7.447) 18.213 22.211 ( -8.651 12.823 -2.083) 15.608 22.693 ( 1.679 -2.666 2.743) 4.177 22.772 ( 1.629 -2.102 0.503) 2.707 23.156 ( -14.297 -3.274 2.349) 14.854 23.328 ( -20.390 -13.952 -4.149) 25.053 24.647 ( 8.702 0.652 1.212) 8.810 24.704 ( 7.915 1.239 -1.187) 8.099 24.967 ( -4.443 0.004 0.908) 4.535 25.006 ( -4.195 -0.683 -0.698) 4.307 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 7.847 -2.329 1.748) 8.370 1.573 ( 2.472 -4.144 -0.863) 4.902 1.624 ( 0.928 -2.309 -0.056) 2.489 1.654 ( 0.215 1.891 -1.030) 2.164 1.707 ( 6.873 -2.520 0.701) 7.354 1.804 ( 0.223 -0.050 -4.159) 4.166 1.834 ( 4.448 -2.294 2.134) 5.441 1.906 ( 3.411 1.734 -2.309) 4.469 1.954 ( -2.394 0.423 1.500) 2.857 2.004 ( -5.023 2.113 1.027) 5.546 2.065 ( 1.551 1.793 1.201) 2.658 2.106 ( 3.799 -1.679 -1.036) 4.281 2.133 ( -4.737 1.258 1.356) 5.085 2.206 ( -4.837 0.380 -2.923) 5.664 2.423 ( 0.913 1.170 3.518) 3.818 2.445 ( -1.055 -0.701 2.727) 3.006 2.497 ( 0.117 2.502 0.878) 2.654 2.523 ( -3.009 0.379 -0.026) 3.033 2.632 ( 3.481 -4.679 1.436) 6.006 2.668 ( 2.222 1.801 1.403) 3.186 2.738 ( 3.388 -6.161 -2.068) 7.329 2.810 ( 4.113 0.529 -2.160) 4.676 2.862 ( -2.263 1.748 -0.543) 2.910 2.911 ( -3.581 -0.712 -3.134) 4.812 3.275 ( 3.383 -1.534 2.093) 4.264 3.328 ( 2.885 -0.788 1.609) 3.396 3.355 ( -1.208 2.067 0.364) 2.421 3.436 ( -4.256 3.595 -2.134) 5.966 3.711 ( 1.668 -1.585 3.740) 4.391 3.734 ( 0.480 0.411 1.045) 1.221 3.920 ( 3.033 1.082 -5.091) 6.024 3.978 ( -3.895 -0.125 -4.663) 6.077 4.647 ( 5.191 -0.915 3.349) 6.245 4.741 ( -3.860 0.959 1.947) 4.428 4.802 ( 4.153 1.059 -3.137) 5.311 4.862 ( -3.574 -1.100 -3.064) 4.834 5.928 ( 36.897 1.031 1.358) 36.937 5.998 ( 35.681 1.844 -1.518) 35.761 6.330 ( -3.182 -3.083 5.351) 6.947 6.421 ( -6.706 2.087 1.272) 7.138 6.453 ( -10.512 1.498 2.463) 10.900 6.509 ( -9.797 -2.057 4.246) 10.874 6.765 ( 12.717 0.986 -2.452) 12.988 6.835 ( 21.328 0.148 2.748) 21.504 6.973 ( -7.658 -0.100 -6.592) 10.104 7.061 ( 17.958 0.981 -5.149) 18.708 7.441 ( -38.963 -0.148 1.472) 38.992 7.547 ( -31.558 0.690 -3.027) 31.710 9.138 ( 3.275 0.709 5.225) 6.207 9.200 ( -1.371 1.598 5.598) 5.981 9.246 ( 4.737 2.640 4.643) 7.139 9.335 ( -5.721 -1.907 2.941) 6.710 9.656 ( 7.633 2.356 -1.418) 8.113 9.726 ( -1.189 -2.896 -4.077) 5.140 9.762 ( 2.746 0.822 -4.861) 5.643 9.793 ( -2.039 -4.336 -5.293) 7.140 13.066 ( 23.171 5.669 3.244) 24.074 13.211 ( 21.594 4.538 -2.877) 22.252 13.446 ( -21.444 -3.247 2.891) 21.880 13.563 ( -19.579 -3.326 -2.047) 19.965 21.522 ( 16.418 -4.694 2.466) 17.253 21.683 ( 6.038 -3.242 -4.983) 8.474 21.859 ( -4.203 10.452 1.498) 11.364 21.891 ( -13.727 8.123 -0.396) 15.955 22.748 ( 3.168 0.537 3.075) 4.447 22.792 ( -2.432 -2.524 2.548) 4.334 23.035 ( 1.605 3.030 -1.334) 3.679 23.124 ( -13.274 -9.624 -3.859) 16.843 24.786 ( 6.929 0.841 1.048) 7.059 24.829 ( 6.839 1.457 -0.767) 7.034 24.888 ( -4.681 -0.470 1.088) 4.829 24.932 ( -5.069 -0.835 -0.773) 5.196 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 18.176 0.000 9.271) 20.404 0.945 ( 16.152 0.000 11.963) 20.100 1.252 ( 8.462 0.000 -7.720) 11.454 1.361 ( 5.210 0.000 -6.347) 8.212 1.625 ( 6.593 0.000 -2.967) 7.230 1.642 ( 22.531 0.000 11.753) 25.412 1.679 ( 3.670 0.000 -1.720) 4.053 1.802 ( 6.271 0.000 0.404) 6.284 1.836 ( 5.899 0.000 -0.378) 5.911 1.960 ( 5.346 0.000 1.482) 5.547 1.977 ( -4.193 -0.000 -1.476) 4.445 2.218 ( 3.083 0.000 -1.951) 3.648 2.262 ( -0.522 -0.000 2.259) 2.319 2.296 ( 5.910 0.000 -9.040) 10.800 2.326 ( 2.591 0.000 3.817) 4.613 2.409 ( -2.081 -0.000 -1.845) 2.781 2.420 ( -3.682 -0.000 -0.886) 3.787 2.443 ( 0.181 0.000 -1.491) 1.502 2.515 ( 1.412 0.000 0.145) 1.419 2.619 ( 0.112 0.000 -4.305) 4.306 2.733 ( -0.056 -0.000 -0.664) 0.666 2.824 ( -3.347 -0.000 -4.181) 5.356 2.867 ( -2.800 -0.000 2.407) 3.692 3.037 ( 1.152 0.000 -5.975) 6.085 3.071 ( 5.957 0.000 6.314) 8.681 3.202 ( 3.267 0.000 -1.257) 3.501 3.392 ( 2.533 0.000 6.949) 7.396 3.588 ( -0.053 -0.000 -4.389) 4.389 3.648 ( 6.934 0.000 -2.551) 7.389 3.757 ( 8.252 0.000 -13.749) 16.035 3.822 ( -10.646 -0.000 14.023) 17.606 4.230 ( 7.349 0.000 1.961) 7.606 4.278 ( 25.140 0.000 -4.426) 25.526 4.298 ( 36.857 0.000 -1.807) 36.901 4.525 ( 0.836 0.000 4.036) 4.122 4.649 ( 5.194 0.000 -2.945) 5.971 4.919 ( -2.028 -0.000 0.091) 2.030 4.919 ( -1.749 -0.000 -0.373) 1.789 6.058 ( 21.892 0.000 6.703) 22.896 6.167 ( 6.114 0.000 3.921) 7.264 6.275 ( 17.211 0.000 0.680) 17.224 6.295 ( 10.006 0.000 -0.000) 10.006 6.890 ( -12.261 -0.000 1.005) 12.302 6.924 ( -8.325 -0.000 -0.108) 8.326 7.002 ( -10.553 -0.000 8.476) 13.535 7.414 ( -9.420 -0.000 -9.386) 13.298 8.601 ( -15.802 -0.000 1.830) 15.908 8.662 ( -18.338 -0.000 -1.086) 18.371 9.126 ( 3.682 0.000 1.985) 4.183 9.151 ( 2.370 0.000 0.056) 2.370 9.208 ( 4.412 0.000 -3.648) 5.725 9.397 ( 9.798 0.000 -10.782) 14.569 9.458 ( -6.712 -0.000 4.953) 8.341 9.488 ( -2.733 -0.000 5.319) 5.980 9.647 ( 1.152 0.000 -2.104) 2.399 9.698 ( 0.790 0.000 -3.720) 3.803 12.547 ( 14.066 0.000 0.620) 14.080 12.611 ( 14.295 0.000 -1.687) 14.394 13.999 ( -9.089 -0.000 1.842) 9.274 14.021 ( -6.297 -0.000 0.335) 6.306 20.765 ( 23.730 0.000 6.561) 24.620 21.371 ( 14.747 0.000 -25.260) 29.249 22.524 ( 0.836 0.000 -1.937) 2.110 22.559 ( 1.386 0.000 -1.493) 2.038 22.605 ( -0.357 -0.000 3.129) 3.150 22.798 ( -4.067 -0.000 -4.707) 6.221 23.286 ( -24.884 -0.000 12.792) 27.980 23.428 ( -18.151 -0.000 1.110) 18.185 24.485 ( 8.994 0.000 0.647) 9.017 24.516 ( 12.150 0.000 -0.609) 12.166 25.060 ( -5.599 -0.000 3.089) 6.395 25.131 ( -12.052 -0.000 -0.527) 12.064 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 16.580 -4.546 6.289) 18.306 1.259 ( 15.335 -2.338 6.486) 16.813 1.407 ( 7.161 -1.853 -0.460) 7.411 1.499 ( 8.500 -1.621 -3.887) 9.486 1.698 ( 1.688 1.490 -1.261) 2.580 1.724 ( 2.569 -1.113 -3.892) 4.794 1.890 ( -3.552 0.762 -0.262) 3.642 1.907 ( 6.651 1.165 -2.126) 7.079 1.941 ( 5.912 0.881 1.484) 6.158 1.954 ( 6.259 -1.228 2.984) 7.042 2.045 ( 3.615 0.635 -2.775) 4.601 2.185 ( -6.274 -0.109 -2.315) 6.689 2.240 ( -4.430 0.326 1.004) 4.554 2.299 ( -1.034 -0.472 2.199) 2.476 2.326 ( 2.634 -0.602 0.420) 2.735 2.429 ( 5.399 0.453 2.820) 6.108 2.444 ( 2.684 -1.316 -4.103) 5.076 2.534 ( 2.824 -0.879 -0.602) 3.018 2.577 ( 4.047 1.062 -0.491) 4.212 2.650 ( 1.576 -0.942 -0.318) 1.863 2.669 ( -3.858 0.474 -3.487) 5.222 2.754 ( -2.576 0.109 -3.368) 4.242 2.814 ( -1.570 -0.070 4.625) 4.885 3.023 ( -0.827 2.086 -6.435) 6.815 3.193 ( 5.785 0.201 4.448) 7.300 3.256 ( 1.664 -0.459 2.196) 2.793 3.440 ( 1.405 1.111 2.172) 2.815 3.571 ( -1.659 0.934 -3.457) 3.946 3.671 ( -3.450 0.305 11.672) 12.175 3.730 ( 3.221 1.522 -1.306) 3.795 3.870 ( 3.249 -1.364 -9.921) 10.528 4.094 ( -7.719 0.931 -4.600) 9.034 4.531 ( 4.757 -0.320 4.881) 6.824 4.733 ( 5.545 0.287 -4.198) 6.961 4.809 ( 0.240 0.798 0.314) 0.890 4.859 ( 0.538 -1.784 -1.952) 2.699 5.152 ( 43.107 -0.214 1.392) 43.130 5.217 ( 44.937 -0.496 -1.662) 44.970 6.257 ( 3.494 -0.100 7.548) 8.318 6.402 ( 13.766 -0.128 -0.136) 13.767 6.481 ( 9.711 0.268 2.273) 9.977 6.580 ( 12.793 2.929 -1.742) 13.239 6.686 ( -7.646 -2.013 1.995) 8.154 6.769 ( -7.189 0.664 -0.791) 7.263 6.832 ( -6.053 -0.497 7.590) 9.721 7.233 ( -8.887 1.974 -9.514) 13.168 8.138 ( -35.218 -0.251 0.127) 35.220 8.154 ( -30.307 0.244 -0.388) 30.310 9.127 ( 1.114 0.763 1.546) 2.053 9.257 ( 7.660 5.400 3.684) 10.070 9.309 ( 0.166 3.021 3.089) 4.324 9.420 ( 0.139 -1.632 2.342) 2.858 9.445 ( 2.298 -2.990 3.741) 5.311 9.580 ( 6.023 -2.844 -6.496) 9.304 9.676 ( 2.111 -1.834 -4.482) 5.283 9.722 ( 1.469 -0.692 -5.228) 5.475 12.837 ( 19.305 4.300 1.443) 19.831 12.922 ( 19.364 1.245 -2.023) 19.510 13.762 ( -16.660 -0.342 2.264) 16.816 13.829 ( -14.665 -0.699 -0.750) 14.701 21.150 ( 17.736 -0.413 5.740) 18.646 21.531 ( 4.860 -0.292 -11.308) 12.312 22.405 ( -5.073 17.767 -0.961) 18.502 22.446 ( -9.337 11.358 -1.583) 14.788 22.645 ( 1.888 -3.446 2.808) 4.829 22.721 ( -0.165 -0.895 2.180) 2.363 23.008 ( -16.782 -17.504 2.282) 24.356 23.113 ( -12.189 -2.160 -1.502) 12.469 24.654 ( 8.833 0.187 1.494) 8.961 24.715 ( 8.878 0.124 -0.998) 8.935 24.971 ( -5.352 0.272 0.460) 5.378 24.993 ( -3.582 -0.564 -0.465) 3.656 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 10.074 -4.161 2.238) 11.127 1.493 ( 6.355 -1.932 1.263) 6.761 1.569 ( 7.107 -3.469 4.033) 8.878 1.668 ( 7.414 -1.290 -1.423) 7.658 1.700 ( 1.008 2.469 -0.498) 2.713 1.766 ( 1.392 -0.633 -2.464) 2.900 1.847 ( 0.303 0.168 1.467) 1.507 1.946 ( -2.159 1.080 0.263) 2.429 1.968 ( 1.074 1.857 0.747) 2.272 2.028 ( -6.209 0.588 -0.535) 6.260 2.076 ( 6.726 0.105 0.994) 6.800 2.132 ( 3.849 2.750 -2.002) 5.136 2.163 ( -3.850 1.223 0.317) 4.052 2.217 ( -3.735 0.266 -5.976) 7.052 2.410 ( 0.516 -0.927 0.954) 1.427 2.457 ( -5.993 2.404 3.154) 7.186 2.512 ( -0.914 -0.027 -2.936) 3.075 2.531 ( -0.228 -3.639 -4.693) 5.943 2.594 ( 5.486 1.752 3.055) 6.519 2.641 ( 4.732 -2.012 1.735) 5.427 2.734 ( 3.030 3.732 1.114) 4.935 2.793 ( 5.234 -3.064 -0.091) 6.065 2.829 ( 1.207 -2.332 1.345) 2.950 2.972 ( -1.672 4.333 -5.443) 7.155 3.246 ( 0.070 -0.941 4.037) 4.146 3.297 ( 1.926 -1.972 2.055) 3.438 3.395 ( -3.416 1.436 1.956) 4.190 3.495 ( -4.690 2.602 -3.047) 6.169 3.690 ( 3.064 -0.541 4.585) 5.541 3.757 ( 1.559 1.740 0.848) 2.485 3.923 ( 1.922 -0.617 -6.157) 6.480 3.973 ( -5.058 -0.535 -5.189) 7.266 4.627 ( 4.660 -1.054 4.240) 6.388 4.752 ( -4.234 0.251 1.033) 4.366 4.813 ( 3.443 0.177 -3.641) 5.014 4.833 ( -3.309 -1.636 -2.421) 4.414 5.939 ( 36.933 0.260 1.558) 36.967 6.017 ( 35.421 0.402 -1.752) 35.466 6.268 ( -6.142 -2.870 5.592) 8.788 6.404 ( -16.555 -2.332 -1.414) 16.778 6.481 ( -8.866 0.373 3.933) 9.706 6.553 ( 0.817 5.524 6.810) 8.806 6.769 ( 5.852 -0.700 -3.489) 6.849 6.844 ( 20.252 0.991 2.152) 20.390 6.943 ( 6.451 -2.526 -4.058) 8.029 7.099 ( 5.257 2.220 -6.471) 8.628 7.438 ( -38.664 -0.149 1.787) 38.705 7.557 ( -31.673 0.338 -3.378) 31.854 9.160 ( 3.324 1.399 5.188) 6.318 9.226 ( -4.443 1.235 7.567) 8.861 9.328 ( -1.524 3.446 2.453) 4.496 9.352 ( 3.848 5.834 3.736) 7.925 9.591 ( -1.492 -7.119 -2.727) 7.768 9.634 ( 1.685 -5.918 -1.032) 6.239 9.749 ( 0.001 -1.715 -6.373) 6.600 9.803 ( 8.702 2.590 -6.433) 11.127 13.172 ( 21.298 5.135 2.304) 22.029 13.280 ( 20.622 2.586 -2.227) 20.902 13.401 ( -22.682 -1.579 2.747) 22.902 13.509 ( -20.799 -2.244 -1.839) 21.000 21.446 ( 12.930 -3.129 2.965) 13.630 21.599 ( 0.625 -3.804 -3.414) 5.150 22.066 ( -19.069 9.047 0.300) 21.109 22.115 ( -7.357 14.970 -1.948) 16.793 22.700 ( -0.838 -4.990 1.863) 5.392 22.758 ( 2.225 -1.855 2.474) 3.810 22.925 ( -6.067 -10.201 0.785) 11.895 23.090 ( 7.443 2.243 -4.176) 8.824 24.791 ( 5.456 -0.126 0.824) 5.519 24.840 ( 4.193 -0.072 -1.471) 4.444 24.886 ( -3.909 0.054 1.352) 4.137 24.925 ( -3.682 0.090 -0.069) 3.683 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -4.093 0.064 1.137) 4.249 1.577 ( 1.692 -1.387 -0.039) 2.188 1.647 ( 2.091 1.254 0.207) 2.447 1.694 ( 1.475 3.188 -0.680) 3.578 1.747 ( -2.077 -1.770 -0.949) 2.889 1.763 ( -4.869 2.018 -2.457) 5.815 1.887 ( -2.969 0.682 0.327) 3.064 1.919 ( 2.950 -2.465 2.068) 4.366 1.940 ( -1.144 2.022 -0.651) 2.413 1.975 ( 4.761 0.977 2.437) 5.437 2.048 ( -5.166 0.887 2.090) 5.643 2.128 ( 0.133 1.348 -4.411) 4.614 2.168 ( 3.007 3.268 1.796) 4.791 2.229 ( 4.421 2.678 -1.928) 5.517 2.355 ( -2.935 -5.766 1.944) 6.756 2.400 ( -1.958 -1.253 2.631) 3.511 2.480 ( -0.434 -0.349 -2.991) 3.043 2.600 ( 1.631 -1.207 -4.518) 4.952 2.622 ( 1.505 2.411 3.666) 4.638 2.723 ( 0.684 3.517 3.594) 5.075 2.754 ( 0.226 -0.034 -2.678) 2.687 2.862 ( 1.784 1.640 -0.651) 2.509 2.879 ( -1.011 6.329 -0.950) 6.480 2.927 ( 6.215 0.039 1.476) 6.388 3.254 ( -2.394 -3.646 1.935) 4.772 3.323 ( -2.500 0.493 2.073) 3.285 3.354 ( -0.539 -2.903 -1.418) 3.276 3.376 ( -3.160 0.322 -1.280) 3.425 3.729 ( 0.270 0.802 1.229) 1.492 3.757 ( 0.572 2.254 2.375) 3.324 3.892 ( -4.558 -1.674 -3.559) 6.021 3.976 ( 2.810 -0.583 -4.833) 5.621 4.658 ( -5.441 0.325 2.251) 5.897 4.715 ( 3.324 -1.726 2.996) 4.797 4.775 ( -4.439 -1.601 -2.598) 5.386 4.867 ( 2.453 -0.542 -3.284) 4.134 5.902 ( -36.673 -1.616 0.957) 36.721 5.951 ( -34.656 -2.920 -0.948) 34.791 6.345 ( -5.475 -1.040 3.170) 6.412 6.403 ( 11.644 0.615 1.201) 11.722 6.442 ( 11.963 -0.333 1.644) 12.080 6.567 ( 7.691 3.576 4.711) 9.703 6.736 ( -11.067 -2.136 -3.686) 11.859 6.829 ( -23.612 -0.554 3.780) 23.919 6.959 ( 1.192 -0.712 -3.138) 3.431 7.069 ( -16.339 1.169 -6.535) 17.636 7.443 ( 39.250 0.040 1.100) 39.266 7.533 ( 31.626 -0.793 -2.743) 31.754 9.130 ( -5.178 -0.289 4.283) 6.726 9.189 ( -2.879 1.196 5.165) 6.033 9.243 ( 1.036 1.638 5.339) 5.680 9.398 ( 3.911 4.412 1.164) 6.010 9.558 ( -5.962 -6.449 0.522) 8.798 9.729 ( 1.572 -2.945 -1.197) 3.547 9.736 ( -3.004 -1.203 -7.087) 7.791 9.895 ( 4.607 5.083 -5.636) 8.878 12.978 ( -24.374 -3.559 3.432) 24.871 13.128 ( -22.624 -3.992 -2.894) 23.155 13.515 ( 19.573 3.834 2.618) 20.116 13.622 ( 18.203 2.704 -1.897) 18.500 21.588 ( -15.794 0.714 -0.408) 15.815 21.602 ( -8.146 -7.182 -0.954) 10.902 21.745 ( 5.598 -2.704 3.670) 7.219 21.908 ( -1.915 7.484 -3.453) 8.461 22.727 ( 0.757 -1.347 0.694) 1.694 22.790 ( -1.150 -3.046 -0.437) 3.285 22.999 ( 8.213 -0.432 5.447) 9.865 23.271 ( 15.453 6.013 -5.534) 17.481 24.763 ( -7.065 -1.367 0.265) 7.201 24.792 ( -7.777 -2.151 -0.929) 8.122 24.902 ( 4.384 0.869 1.615) 4.752 24.948 ( 4.077 0.735 -0.306) 4.154 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -11.284 5.979 2.552) 13.023 1.534 ( -6.301 4.460 -1.863) 7.942 1.571 ( -7.468 5.604 0.190) 9.339 1.633 ( -0.810 2.138 0.506) 2.342 1.675 ( 0.348 3.554 0.005) 3.571 1.720 ( -5.904 -1.940 -6.938) 9.314 1.851 ( 1.713 2.690 -2.160) 3.852 1.855 ( -1.481 1.692 -2.618) 3.451 1.942 ( -2.346 0.407 2.341) 3.339 1.971 ( -1.470 -0.478 0.783) 1.733 2.106 ( 1.963 0.810 1.836) 2.807 2.165 ( 5.959 -0.800 -0.150) 6.014 2.213 ( 3.764 -0.094 3.145) 4.906 2.266 ( 1.434 0.231 1.774) 2.293 2.365 ( -1.909 -2.720 2.086) 3.924 2.424 ( -0.692 -4.389 2.853) 5.280 2.467 ( -1.778 0.974 -0.020) 2.028 2.560 ( -6.449 2.472 2.964) 7.516 2.618 ( 0.746 3.530 -1.185) 3.797 2.661 ( 1.327 4.781 0.218) 4.966 2.710 ( -3.282 2.173 -0.790) 4.015 2.802 ( 0.492 4.501 -5.992) 7.510 2.915 ( 3.569 0.688 -1.791) 4.052 2.979 ( 0.338 4.632 -2.328) 5.195 3.176 ( -6.749 -0.829 1.519) 6.967 3.245 ( -6.410 -0.849 0.401) 6.478 3.337 ( 0.078 -4.007 3.940) 5.620 3.462 ( 3.068 -5.369 -2.099) 6.530 3.680 ( -4.404 0.831 1.257) 4.655 3.730 ( -0.711 2.099 3.839) 4.433 3.841 ( -3.012 -2.757 -2.880) 4.996 4.042 ( 3.405 -1.108 -4.277) 5.578 4.555 ( -5.019 0.532 3.117) 5.932 4.697 ( -5.523 -1.540 -3.067) 6.502 4.765 ( -2.605 -1.782 2.124) 3.804 4.901 ( -4.340 -0.986 -3.180) 5.470 5.141 ( -40.103 -1.363 1.298) 40.147 5.201 ( -41.090 -2.165 -1.338) 41.169 6.236 ( -6.906 -0.641 -0.252) 6.940 6.335 ( -15.956 -2.896 -2.874) 16.470 6.477 ( -12.377 -1.300 1.877) 12.586 6.559 ( -8.504 2.293 1.285) 8.901 6.689 ( 8.354 -1.339 3.311) 9.085 6.742 ( 9.044 -0.144 2.977) 9.522 6.831 ( -1.112 -2.352 1.917) 3.231 7.101 ( 6.071 -2.404 -5.856) 8.771 8.129 ( 29.551 -0.884 0.358) 29.566 8.155 ( 35.584 0.352 -0.782) 35.594 9.031 ( -7.752 -3.507 2.191) 8.786 9.105 ( -3.010 0.299 0.435) 3.056 9.265 ( -2.029 -1.138 4.801) 5.335 9.407 ( 1.008 0.600 -0.882) 1.468 9.538 ( 1.591 1.169 5.075) 5.446 9.657 ( -5.561 0.617 -6.921) 8.899 9.742 ( -1.623 -0.616 -1.933) 2.598 9.871 ( -1.750 5.479 -3.307) 6.635 12.604 ( -19.414 -4.962 3.702) 20.377 12.771 ( -19.889 -5.080 -3.329) 20.796 13.808 ( 14.573 1.997 2.274) 14.884 13.887 ( 12.449 1.847 -1.123) 12.635 21.182 ( -22.797 0.864 3.473) 23.076 21.430 ( -17.688 -7.937 -8.453) 21.149 21.869 ( 1.842 -2.524 5.367) 6.210 21.997 ( 7.274 -9.538 -1.299) 12.065 22.746 ( 1.758 2.731 0.204) 3.254 22.791 ( 0.005 0.341 -0.437) 0.554 23.208 ( 14.821 2.183 7.026) 16.547 23.534 ( 19.918 8.443 -6.502) 22.590 24.630 ( -8.024 -1.062 0.497) 8.110 24.667 ( -7.634 -2.649 -1.092) 8.154 24.971 ( 3.868 0.420 1.281) 4.096 25.014 ( 3.840 0.159 -0.505) 3.876 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -14.408 8.554 6.217) 17.872 1.286 ( -10.429 13.322 3.147) 17.209 1.439 ( -2.274 5.236 -3.005) 6.451 1.501 ( -7.158 8.146 -11.618) 15.893 1.620 ( -3.034 0.853 0.032) 3.152 1.681 ( -0.532 1.564 -2.329) 2.855 1.807 ( -1.212 1.642 1.138) 2.336 1.838 ( -6.134 3.579 3.511) 7.923 1.906 ( -1.408 0.207 -2.544) 2.915 1.957 ( 1.195 1.399 -0.856) 2.030 2.055 ( -5.517 9.063 5.915) 12.147 2.181 ( -10.412 -0.267 3.780) 11.080 2.220 ( -3.777 1.131 0.206) 3.948 2.273 ( 0.252 -2.259 5.167) 5.645 2.330 ( 5.027 -1.577 1.805) 5.569 2.403 ( 0.521 -1.180 -1.726) 2.155 2.480 ( -1.167 0.017 -1.704) 2.066 2.499 ( -2.157 -3.906 1.987) 4.885 2.538 ( -2.246 4.187 -3.136) 5.693 2.618 ( -2.138 4.988 -0.702) 5.472 2.671 ( -0.421 -0.121 -0.881) 0.984 2.811 ( 2.140 1.117 -9.039) 9.356 2.901 ( -0.533 4.089 -0.662) 4.176 2.955 ( -2.194 -0.725 0.026) 2.311 3.068 ( -3.716 -1.135 -0.399) 3.906 3.141 ( -5.927 -2.942 -1.270) 6.738 3.355 ( -1.859 -2.488 6.439) 7.149 3.534 ( -2.742 -2.957 -2.678) 4.840 3.584 ( -3.104 -1.332 -0.183) 3.382 3.697 ( -3.673 -0.857 -2.327) 4.431 3.851 ( 2.618 -2.597 4.423) 5.759 4.120 ( -0.265 -3.320 -3.262) 4.662 4.248 ( -36.224 -0.250 1.580) 36.259 4.303 ( -34.598 -0.144 -1.041) 34.614 4.487 ( -2.903 0.581 4.293) 5.215 4.624 ( -4.774 -1.299 -2.309) 5.459 4.912 ( 1.087 -1.683 1.441) 2.468 5.059 ( 4.886 -1.546 -4.064) 6.540 6.005 ( -21.603 -3.020 4.290) 22.230 6.104 ( -8.070 -0.870 -2.873) 8.610 6.256 ( -11.869 -1.838 0.355) 12.016 6.313 ( -14.951 -0.073 -0.781) 14.971 6.885 ( 9.562 -0.930 2.683) 9.975 6.923 ( 10.971 -0.340 1.156) 11.037 6.960 ( 10.114 -0.744 6.977) 12.310 7.265 ( 7.493 -5.844 -6.288) 11.395 8.569 ( 15.230 -1.380 2.413) 15.482 8.671 ( 16.789 0.283 -2.071) 16.918 8.934 ( -5.460 -5.078 2.421) 7.840 9.078 ( -0.740 -3.566 -4.286) 5.624 9.203 ( -3.086 -1.562 2.113) 4.054 9.391 ( -6.508 1.371 -7.500) 10.024 9.556 ( -0.817 2.141 0.655) 2.383 9.600 ( 7.677 4.954 5.300) 10.563 9.708 ( -1.096 0.438 -2.556) 2.815 9.757 ( -4.612 3.647 0.546) 5.905 12.373 ( -9.916 -3.850 2.686) 10.971 12.505 ( -13.578 -4.878 -2.852) 14.707 14.005 ( 7.985 0.619 1.532) 8.154 14.040 ( 5.419 0.797 -0.050) 5.477 20.739 ( -25.021 -1.000 4.301) 25.408 21.105 ( -28.162 -12.043 -14.991) 34.101 21.938 ( 0.108 -8.266 12.998) 15.404 22.203 ( 3.843 -11.618 -2.116) 12.419 22.735 ( 1.325 5.747 0.372) 5.909 22.781 ( 0.817 3.632 0.092) 3.724 23.475 ( 14.460 1.352 7.074) 16.155 23.826 ( 18.849 8.083 -6.932) 21.649 24.501 ( -5.892 0.777 0.382) 5.955 24.576 ( -3.326 -0.561 -3.755) 5.048 25.043 ( 4.234 -0.683 2.883) 5.167 25.120 ( 8.182 -0.816 -0.812) 8.262 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -10.779 10.390 11.880) 19.112 0.911 ( -16.863 13.743 7.835) 23.122 1.268 ( -6.740 11.359 -10.319) 16.761 1.343 ( -7.967 5.683 -13.196) 16.429 1.424 ( -14.914 18.599 11.531) 26.482 1.562 ( -4.539 2.720 2.487) 5.847 1.645 ( -2.448 6.675 0.995) 7.179 1.736 ( -5.785 2.468 2.272) 6.688 1.791 ( -2.922 4.579 0.699) 5.477 1.885 ( -3.244 2.992 6.001) 7.449 1.982 ( -2.668 -2.358 -0.780) 3.645 2.050 ( -4.024 -2.430 0.079) 4.702 2.188 ( -2.903 -3.539 -3.806) 5.953 2.244 ( -2.586 -1.122 1.694) 3.288 2.373 ( -1.148 5.519 -8.930) 10.560 2.435 ( 2.659 0.153 -0.452) 2.702 2.450 ( 2.985 -2.238 0.783) 3.812 2.492 ( 1.309 0.082 -1.542) 2.025 2.547 ( -0.926 -1.033 -1.070) 1.751 2.580 ( 1.155 -0.927 -2.204) 2.655 2.674 ( -0.005 -2.738 0.446) 2.774 2.810 ( -6.089 -1.612 1.205) 6.413 2.843 ( 0.211 -0.898 -6.521) 6.586 2.937 ( -3.434 -0.621 -2.279) 4.168 3.010 ( 0.807 -0.634 3.340) 3.494 3.170 ( 4.242 -1.300 -3.018) 5.366 3.323 ( -4.114 -1.928 6.202) 7.688 3.402 ( -9.284 -0.554 1.365) 9.401 3.571 ( -7.033 -1.463 -6.427) 9.639 3.610 ( -3.798 0.985 -3.896) 5.529 3.624 ( -19.681 -1.256 -1.117) 19.752 3.821 ( -12.505 0.999 -7.617) 14.677 4.017 ( 6.110 -3.369 10.860) 12.908 4.268 ( 4.702 -4.641 1.268) 6.727 4.478 ( 1.875 -1.438 6.467) 6.885 4.571 ( -2.018 -0.985 -1.078) 2.491 4.963 ( 2.599 -0.620 2.748) 3.833 5.204 ( 10.222 0.189 -5.852) 11.780 5.627 ( -19.944 -1.220 10.961) 22.790 5.961 ( -7.894 -0.809 -2.546) 8.334 6.054 ( -11.664 -0.584 -1.947) 11.839 6.093 ( -7.969 -2.151 -2.133) 8.525 7.045 ( 6.715 -1.206 3.803) 7.811 7.120 ( 9.180 1.493 0.717) 9.329 7.157 ( 8.673 -1.845 3.766) 9.634 7.474 ( 8.154 -6.190 -7.532) 12.710 8.688 ( -1.666 -1.843 0.590) 2.553 8.710 ( -6.333 -1.663 -0.398) 6.560 8.962 ( 1.743 -4.684 4.406) 6.663 9.119 ( -8.850 -0.864 -4.312) 9.882 9.193 ( -4.864 0.218 -4.199) 6.429 9.244 ( 4.579 -3.980 -4.664) 7.652 9.522 ( -0.914 1.420 3.750) 4.112 9.649 ( -1.288 1.995 1.470) 2.793 9.716 ( 2.882 2.078 1.998) 4.077 9.761 ( 9.714 5.397 1.521) 11.217 12.293 ( -2.181 -1.211 0.993) 2.686 12.368 ( -5.046 -3.104 -2.377) 6.383 14.077 ( 0.410 0.222 0.835) 0.956 14.101 ( 2.251 0.078 0.168) 2.259 20.312 ( -20.090 -0.763 2.325) 20.238 20.586 ( -39.723 -11.946 -14.746) 44.023 22.031 ( -0.853 -13.908 19.495) 23.963 22.350 ( 1.026 -10.405 -1.611) 10.579 22.691 ( 0.513 7.093 1.208) 7.213 22.757 ( 0.633 4.035 0.756) 4.154 23.670 ( 6.957 0.527 6.706) 9.677 24.028 ( 7.975 3.273 -5.549) 10.252 24.399 ( -3.339 2.869 -0.300) 4.413 24.554 ( 3.378 7.877 -13.468) 15.963 25.189 ( 10.283 -4.329 8.454) 13.998 25.328 ( 10.531 -3.965 -0.908) 11.289 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.000 12.936 14.559) 19.476 0.525 ( 0.000 11.148 16.448) 19.870 0.994 ( 0.000 23.500 23.531) 33.256 1.103 ( 0.000 5.371 -11.627) 12.807 1.163 ( 0.000 9.973 -17.682) 20.300 1.526 ( 0.000 4.530 4.087) 6.102 1.588 ( 0.000 6.157 0.279) 6.164 1.623 ( -0.000 -1.568 2.987) 3.373 1.708 ( 0.000 4.757 1.716) 5.057 1.849 ( -0.000 -0.448 9.366) 9.377 1.983 ( -0.000 -3.190 2.896) 4.308 2.030 ( -0.000 -0.081 -8.113) 8.113 2.167 ( -0.000 -2.712 -5.085) 5.763 2.250 ( -0.000 -1.089 -6.659) 6.748 2.320 ( 0.000 2.392 -3.673) 4.384 2.483 ( -0.000 -2.711 0.350) 2.733 2.500 ( -0.000 -1.047 2.063) 2.313 2.515 ( 0.000 0.563 -4.105) 4.143 2.552 ( -0.000 -0.860 -0.380) 0.941 2.611 ( -0.000 -3.012 -5.259) 6.061 2.693 ( 0.000 1.325 2.774) 3.074 2.763 ( -0.000 -4.616 1.096) 4.744 2.870 ( -0.000 -1.625 -7.451) 7.626 2.871 ( -0.000 -0.443 -4.537) 4.559 3.070 ( 0.000 0.369 5.565) 5.577 3.188 ( 0.000 0.684 4.215) 4.270 3.278 ( 0.000 0.398 -0.015) 0.398 3.306 ( -0.000 -0.757 1.079) 1.318 3.408 ( -0.000 -0.211 2.760) 2.768 3.468 ( 0.000 5.361 -7.201) 8.978 3.611 ( 0.000 0.060 -3.620) 3.620 3.694 ( 0.000 1.097 -9.211) 9.277 4.132 ( -0.000 -4.502 10.145) 11.099 4.339 ( 0.000 0.735 1.221) 1.425 4.547 ( -0.000 -2.713 2.094) 3.427 4.603 ( -0.000 -11.202 8.306) 13.945 4.996 ( 0.000 0.794 3.805) 3.887 5.372 ( 0.000 2.989 -12.545) 12.896 5.397 ( 0.000 0.096 12.317) 12.317 5.875 ( -0.000 -0.778 2.964) 3.065 5.913 ( 0.000 0.846 -9.534) 9.572 6.033 ( -0.000 -1.493 -3.155) 3.491 7.128 ( -0.000 -0.641 3.205) 3.269 7.200 ( 0.000 0.335 1.623) 1.657 7.260 ( -0.000 -1.091 2.733) 2.942 7.617 ( -0.000 -4.290 -10.103) 10.976 8.646 ( -0.000 -1.418 0.386) 1.470 8.672 ( -0.000 -1.564 -0.613) 1.680 8.935 ( 0.000 0.239 5.668) 5.673 9.028 ( -0.000 -3.643 6.380) 7.346 9.176 ( 0.000 0.409 -4.576) 4.594 9.328 ( -0.000 -3.826 -6.782) 7.786 9.505 ( 0.000 0.739 3.571) 3.647 9.631 ( -0.000 -0.567 0.742) 0.934 9.738 ( 0.000 1.434 4.472) 4.697 9.819 ( 0.000 4.689 0.705) 4.741 12.285 ( -0.000 -0.956 0.529) 1.093 12.351 ( -0.000 -0.320 -3.586) 3.600 14.072 ( 0.000 0.188 0.879) 0.899 14.113 ( 0.000 0.209 -0.859) 0.884 20.105 ( 0.000 0.003 0.046) 0.046 20.107 ( 0.000 0.027 -0.046) 0.053 22.184 ( -0.000 -22.116 22.629) 31.642 22.441 ( -0.000 -7.706 -0.791) 7.747 22.634 ( 0.000 5.390 3.044) 6.190 22.737 ( 0.000 0.902 1.974) 2.170 23.727 ( 0.000 0.297 5.933) 5.940 24.079 ( 0.000 0.582 -4.366) 4.404 24.334 ( 0.000 3.503 -1.137) 3.683 24.480 ( 0.000 17.557 -20.993) 27.367 25.428 ( -0.000 -11.934 7.492) 14.091 25.491 ( -0.000 -4.940 0.263) 4.947 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 11.202 0.000 4.651) 12.129 1.481 ( 7.297 0.000 1.183) 7.392 1.534 ( 8.886 0.000 5.019) 10.205 1.656 ( 7.692 0.000 -2.271) 8.020 1.734 ( 1.428 0.000 -0.682) 1.583 1.755 ( 1.559 0.000 -2.272) 2.756 1.845 ( -0.450 -0.000 3.076) 3.108 1.950 ( -2.986 -0.000 2.764) 4.069 2.013 ( 3.541 0.000 -1.919) 4.028 2.018 ( -5.805 -0.000 1.224) 5.933 2.085 ( 4.241 0.000 -0.424) 4.262 2.140 ( 3.010 0.000 -3.297) 4.464 2.184 ( -1.724 -0.000 -0.014) 1.724 2.218 ( -2.351 -0.000 -7.088) 7.468 2.403 ( 1.044 0.000 0.846) 1.344 2.474 ( 0.795 0.000 -6.506) 6.554 2.495 ( -9.081 -0.000 0.369) 9.088 2.518 ( -2.988 -0.000 -2.842) 4.124 2.605 ( 9.044 0.000 1.461) 9.161 2.673 ( 4.106 0.000 0.580) 4.147 2.704 ( 5.504 0.000 2.313) 5.970 2.772 ( 3.699 0.000 0.553) 3.740 2.824 ( 2.608 0.000 4.337) 5.060 3.017 ( -1.023 -0.000 -5.859) 5.948 3.244 ( -2.020 -0.000 4.288) 4.739 3.269 ( 2.067 0.000 3.169) 3.783 3.407 ( -4.470 -0.000 2.967) 5.365 3.522 ( -4.639 -0.000 -3.276) 5.679 3.687 ( 3.956 0.000 4.728) 6.164 3.780 ( 1.577 0.000 0.710) 1.730 3.912 ( 2.019 0.000 -6.609) 6.910 3.964 ( -5.950 -0.000 -5.618) 8.184 4.616 ( 4.331 0.000 4.564) 6.292 4.754 ( -4.424 -0.000 0.714) 4.481 4.813 ( 1.313 0.000 -3.326) 3.576 4.817 ( -1.060 -0.000 -2.556) 2.767 5.941 ( 36.914 0.000 1.612) 36.949 6.020 ( 35.255 0.000 -1.741) 35.298 6.240 ( -6.684 -0.000 5.435) 8.615 6.378 ( -16.552 -0.000 -1.483) 16.618 6.485 ( -9.213 -0.000 4.110) 10.089 6.621 ( 1.897 0.000 8.741) 8.944 6.753 ( 2.415 0.000 -6.265) 6.715 6.863 ( 17.390 0.000 3.732) 17.786 6.907 ( 13.539 0.000 -3.945) 14.102 7.122 ( 1.702 0.000 -6.705) 6.918 7.437 ( -38.526 -0.000 1.907) 38.574 7.560 ( -31.744 -0.000 -3.556) 31.942 9.176 ( 3.460 0.000 5.254) 6.291 9.239 ( -4.797 -0.000 7.515) 8.915 9.383 ( -3.215 -0.000 7.670) 8.316 9.462 ( 3.450 0.000 -6.668) 7.507 9.502 ( 7.474 0.000 6.816) 10.115 9.522 ( -4.939 -0.000 -4.464) 6.657 9.729 ( -0.190 -0.000 -6.978) 6.981 9.829 ( 9.669 0.000 -7.074) 11.981 13.227 ( 20.072 0.000 1.508) 20.129 13.302 ( 20.500 0.000 -1.585) 20.561 13.387 ( -23.122 -0.000 2.601) 23.268 13.487 ( -21.302 -0.000 -1.690) 21.369 21.415 ( 11.719 0.000 3.088) 12.119 21.562 ( -0.623 -0.000 -2.980) 3.045 22.167 ( -23.655 -0.000 1.474) 23.701 22.306 ( -14.617 -0.000 -5.133) 15.492 22.639 ( 1.789 0.000 0.285) 1.812 22.687 ( -1.314 -0.000 -1.119) 1.726 22.835 ( 5.778 0.000 7.958) 9.834 23.111 ( 9.100 0.000 -4.839) 10.307 24.789 ( 4.507 0.000 0.439) 4.528 24.837 ( 2.610 0.000 -2.000) 3.289 24.887 ( -3.360 -0.000 1.750) 3.788 24.927 ( -2.426 -0.000 0.489) 2.475 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.249 -1.207 1.753) 2.143 1.560 ( 2.356 -0.411 0.283) 2.408 1.673 ( 4.643 0.854 3.421) 5.830 1.717 ( -3.018 -0.413 -0.709) 3.127 1.746 ( -0.207 1.890 -0.806) 2.065 1.779 ( 0.928 -0.870 -1.779) 2.187 1.883 ( 2.475 -0.031 4.005) 4.709 1.893 ( -0.771 -0.390 1.680) 1.889 1.961 ( 1.380 0.342 -0.675) 1.574 2.004 ( -1.583 1.265 2.054) 2.885 2.093 ( -2.756 2.677 -1.762) 4.227 2.158 ( 1.798 1.078 -3.725) 4.275 2.217 ( 1.160 1.984 0.111) 2.301 2.267 ( 5.563 -1.324 -1.444) 5.898 2.277 ( -7.484 -0.785 2.031) 7.794 2.401 ( -2.725 1.405 -1.918) 3.617 2.447 ( -2.027 -2.993 -6.720) 7.630 2.525 ( 0.897 -2.067 -6.431) 6.815 2.707 ( 2.293 2.692 3.172) 4.750 2.728 ( 2.642 -0.020 1.903) 3.256 2.822 ( 4.589 4.080 2.145) 6.504 2.891 ( 8.659 -1.537 2.852) 9.246 2.912 ( 6.636 0.759 2.072) 6.993 2.979 ( -1.448 3.268 -3.122) 4.746 3.196 ( -3.332 -1.795 3.939) 5.462 3.285 ( -0.939 -2.551 1.165) 2.957 3.325 ( -4.144 -0.349 2.037) 4.630 3.400 ( -7.363 0.975 -2.816) 7.943 3.750 ( 2.127 1.059 0.450) 2.419 3.797 ( 1.056 1.552 2.182) 2.878 3.863 ( -5.900 -1.168 -3.067) 6.752 3.958 ( 2.319 -0.975 -4.663) 5.298 4.661 ( -5.396 0.034 1.530) 5.609 4.687 ( 2.765 -1.010 3.640) 4.682 4.751 ( -4.446 -0.764 -2.267) 5.049 4.852 ( 1.004 -0.651 -3.294) 3.504 5.877 ( -36.860 -0.795 0.609) 36.873 5.906 ( -32.571 -1.425 -0.724) 32.611 6.332 ( -4.966 -0.266 1.380) 5.161 6.409 ( 11.370 -0.003 0.042) 11.370 6.439 ( 11.243 -0.027 1.833) 11.391 6.631 ( 2.293 3.093 5.835) 6.991 6.689 ( -6.171 -2.634 -4.544) 8.104 6.821 ( -25.192 -0.241 4.036) 25.514 6.953 ( -8.245 -0.077 -0.081) 8.246 7.088 ( -11.886 0.616 -7.255) 13.939 7.443 ( 39.432 -0.008 0.854) 39.441 7.521 ( 31.887 -0.379 -2.569) 31.993 9.130 ( -6.713 0.162 3.701) 7.667 9.225 ( 0.215 1.576 7.882) 8.041 9.299 ( -2.323 4.467 2.025) 5.427 9.403 ( -6.011 -5.792 0.133) 8.349 9.524 ( 4.595 4.480 -0.581) 6.444 9.651 ( 3.466 -4.811 3.447) 6.859 9.709 ( -2.644 -1.241 -8.002) 8.518 9.962 ( 4.794 1.869 -6.504) 8.294 12.935 ( -24.827 -1.087 3.214) 25.058 13.074 ( -23.151 -1.563 -2.633) 23.353 13.573 ( 17.863 1.929 2.049) 18.084 13.655 ( 17.457 0.856 -1.435) 17.536 21.504 ( -7.888 -2.744 0.537) 8.369 21.563 ( -3.936 -1.671 -2.834) 5.130 21.753 ( -11.428 1.327 6.825) 13.377 22.037 ( -9.462 4.629 -6.055) 12.149 22.706 ( 4.088 -0.739 -1.277) 4.346 22.717 ( 2.037 -3.102 -1.031) 3.851 23.003 ( 11.464 0.375 9.050) 14.610 23.346 ( 16.256 2.048 -6.271) 17.544 24.743 ( -6.936 -0.630 -0.454) 6.980 24.760 ( -8.216 -0.988 -1.191) 8.361 24.915 ( 4.111 0.423 2.034) 4.606 24.956 ( 3.069 0.174 0.346) 3.094 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -5.501 3.646 1.043) 6.682 1.571 ( -3.274 1.006 -3.416) 4.837 1.626 ( -4.686 0.686 0.756) 4.796 1.635 ( -6.048 -0.692 -0.933) 6.158 1.714 ( 1.301 1.884 0.744) 2.408 1.795 ( 1.963 5.446 -1.328) 5.939 1.857 ( -0.614 0.827 0.187) 1.047 1.941 ( 0.629 0.337 2.600) 2.696 1.956 ( -2.025 3.778 -1.727) 4.621 1.965 ( -2.412 0.635 2.491) 3.525 2.087 ( 5.942 -1.404 2.331) 6.536 2.172 ( 0.702 -0.930 -3.070) 3.283 2.218 ( 0.729 -2.980 0.809) 3.173 2.233 ( -0.299 1.287 2.322) 2.672 2.341 ( 0.074 2.097 2.089) 2.961 2.380 ( 1.752 -1.232 -1.941) 2.890 2.456 ( -0.509 -2.497 -4.123) 4.846 2.550 ( -1.636 -2.541 -5.510) 6.284 2.694 ( 0.039 3.714 1.160) 3.891 2.737 ( -0.666 1.290 -0.396) 1.504 2.814 ( 1.048 9.863 1.912) 10.101 2.906 ( -0.419 5.622 -2.175) 6.043 2.978 ( 3.053 5.209 2.132) 6.403 3.034 ( 4.476 0.805 2.907) 5.397 3.151 ( -4.901 -2.323 0.761) 5.476 3.237 ( -8.796 -0.089 -1.582) 8.937 3.264 ( -2.612 -3.119 3.409) 5.308 3.343 ( 1.412 -6.782 -0.549) 6.949 3.698 ( -6.786 1.011 -0.052) 6.861 3.776 ( -1.226 2.437 2.876) 3.964 3.797 ( -2.277 -1.826 -1.215) 3.162 4.018 ( 2.791 -1.435 -3.965) 5.057 4.562 ( -4.764 0.323 2.140) 5.232 4.669 ( -5.351 -1.334 -2.379) 6.006 4.727 ( -1.901 -2.011 2.551) 3.764 4.864 ( -4.047 -2.416 -2.956) 5.563 5.112 ( -41.074 -1.400 1.128) 41.114 5.160 ( -43.371 -1.788 -0.879) 43.417 6.234 ( -5.769 0.293 -3.872) 6.954 6.289 ( -17.418 -1.857 -3.585) 17.880 6.453 ( -13.645 -0.982 2.346) 13.880 6.595 ( -11.840 1.381 -0.604) 11.936 6.663 ( 5.817 -1.441 1.303) 6.132 6.737 ( 7.263 -0.704 0.866) 7.348 6.779 ( 5.062 -2.067 7.428) 9.223 7.081 ( 3.031 -0.217 -2.674) 4.048 8.115 ( 29.276 -0.558 0.486) 29.285 8.158 ( 35.600 0.086 -1.251) 35.622 8.992 ( -8.472 -0.923 1.815) 8.713 9.118 ( -7.255 0.905 -1.892) 7.553 9.236 ( -4.461 -1.753 5.638) 7.400 9.429 ( 5.169 1.694 0.810) 5.500 9.571 ( 3.591 1.778 1.214) 4.187 9.649 ( -4.038 -0.875 -7.043) 8.166 9.717 ( 0.104 -1.885 2.292) 2.970 9.952 ( -3.475 3.041 -3.266) 5.656 12.540 ( -18.165 -2.043 3.296) 18.575 12.692 ( -19.714 -3.093 -3.078) 20.191 13.844 ( 13.078 1.696 2.046) 13.346 13.915 ( 11.385 1.075 -1.002) 11.479 21.194 ( -24.776 0.391 1.697) 24.838 21.294 ( -19.029 -5.493 -2.622) 19.978 21.832 ( 5.772 -3.715 1.566) 7.041 21.905 ( -1.847 0.415 -1.382) 2.344 22.775 ( 3.335 0.215 -0.527) 3.384 22.804 ( 5.292 1.244 -2.049) 5.809 23.236 ( 14.092 0.896 10.326) 17.493 23.651 ( 19.298 4.251 -7.799) 21.244 24.610 ( -7.613 -1.232 -0.247) 7.716 24.618 ( -7.877 -1.986 -0.635) 8.148 24.982 ( 3.523 0.704 1.294) 3.818 25.011 ( 3.108 -0.477 0.088) 3.145 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -11.838 9.378 3.566) 15.517 1.467 ( -5.018 4.627 -2.774) 7.368 1.506 ( -4.575 3.895 -0.496) 6.029 1.607 ( -2.507 0.742 -2.269) 3.462 1.683 ( -0.111 6.043 -0.165) 6.046 1.750 ( 1.851 5.946 -1.742) 6.466 1.858 ( -0.954 2.891 -0.604) 3.103 1.891 ( 0.694 0.182 -2.371) 2.477 1.897 ( -3.099 3.004 2.312) 4.897 1.980 ( 1.589 0.004 0.936) 1.844 2.096 ( -6.355 0.460 0.800) 6.421 2.209 ( -1.446 -2.194 -1.780) 3.173 2.247 ( -0.338 0.801 5.045) 5.119 2.275 ( 2.406 -7.348 1.694) 7.915 2.333 ( -0.429 2.815 1.566) 3.249 2.358 ( -4.291 1.817 2.541) 5.308 2.435 ( -2.016 2.726 1.061) 3.552 2.491 ( -1.865 -0.201 -2.197) 2.889 2.643 ( -1.762 5.106 -2.594) 5.992 2.695 ( -2.125 3.392 -1.237) 4.190 2.715 ( -1.730 5.414 -0.008) 5.684 2.866 ( 1.221 4.871 -5.982) 7.811 2.955 ( -4.504 1.560 1.260) 4.930 3.024 ( -1.998 6.788 -3.516) 7.902 3.049 ( -3.191 -0.377 -0.336) 3.231 3.087 ( -5.787 -2.420 -0.457) 6.289 3.287 ( -0.803 -4.721 6.922) 8.417 3.444 ( 0.610 -6.737 -1.345) 6.896 3.562 ( -6.035 -1.220 0.649) 6.191 3.688 ( -7.145 -0.345 -4.032) 8.211 3.808 ( 2.447 -1.263 7.096) 7.612 4.076 ( -0.454 -1.673 -3.967) 4.330 4.241 ( -37.000 -0.430 1.613) 37.038 4.298 ( -34.002 -0.338 -1.301) 34.028 4.498 ( -2.412 0.572 2.707) 3.671 4.598 ( -4.256 -1.436 -1.794) 4.836 4.858 ( 0.283 -3.830 1.755) 4.223 4.977 ( 1.875 -6.062 -2.484) 6.814 5.946 ( -21.034 -2.842 3.288) 21.478 6.107 ( -7.229 0.971 -6.299) 9.637 6.220 ( -12.348 -1.831 0.603) 12.498 6.295 ( -16.979 -1.652 -2.303) 17.214 6.859 ( 10.168 -1.716 1.594) 10.434 6.891 ( 8.429 -2.247 0.470) 8.736 6.973 ( 12.841 1.370 7.630) 15.000 7.171 ( 5.377 -3.839 -1.875) 6.868 8.546 ( 15.195 -0.957 2.549) 15.437 8.676 ( 16.076 0.300 -2.789) 16.319 8.859 ( -6.046 -2.964 1.686) 6.941 8.994 ( -4.979 -4.865 -4.264) 8.163 9.194 ( -0.548 0.358 2.987) 3.057 9.422 ( -7.930 1.878 -8.197) 11.559 9.582 ( -0.602 0.675 -0.091) 0.909 9.677 ( 7.600 1.786 1.450) 7.940 9.718 ( 1.532 1.960 1.947) 3.159 9.817 ( -5.407 2.589 2.798) 6.615 12.330 ( -6.085 -1.022 1.444) 6.337 12.422 ( -12.537 -3.639 -2.284) 13.253 14.020 ( 7.177 0.867 1.334) 7.351 14.054 ( 4.622 0.640 -0.165) 4.669 20.723 ( -25.712 -0.676 2.666) 25.859 20.914 ( -28.462 -7.826 -6.187) 30.160 21.861 ( -0.597 -1.428 5.960) 6.158 22.014 ( 4.246 -8.232 -1.437) 9.373 22.818 ( 2.707 3.156 -0.078) 4.159 22.868 ( 4.456 4.995 -2.156) 7.033 23.489 ( 12.897 0.212 10.707) 16.763 23.944 ( 15.494 5.132 -8.083) 18.214 24.509 ( -4.735 -0.233 -0.484) 4.766 24.537 ( -1.347 -2.919 -2.441) 4.037 25.033 ( 2.655 -0.308 2.318) 3.538 25.101 ( 5.958 -1.188 -0.702) 6.115 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -7.969 11.781 9.868) 17.312 1.161 ( -17.563 12.922 6.878) 22.863 1.436 ( -2.836 3.797 -11.685) 12.610 1.466 ( -6.546 9.014 -8.279) 13.879 1.646 ( 0.449 6.835 1.147) 6.945 1.713 ( -1.267 9.673 1.146) 9.823 1.771 ( -4.129 5.460 3.082) 7.507 1.816 ( -1.034 4.784 0.990) 4.993 1.875 ( -2.572 2.601 -1.869) 4.108 1.910 ( -9.367 -3.651 3.738) 10.726 2.006 ( -0.200 -0.968 -0.854) 1.306 2.073 ( -4.876 17.039 5.336) 18.509 2.121 ( -7.100 -3.738 -4.553) 9.226 2.232 ( -0.861 0.664 7.854) 7.929 2.388 ( 1.001 -7.208 0.882) 7.331 2.410 ( 3.339 -0.767 -0.268) 3.436 2.429 ( 0.813 -1.968 1.280) 2.484 2.492 ( 0.962 -0.738 -1.761) 2.138 2.550 ( -1.864 5.593 -4.435) 7.377 2.621 ( -1.727 0.496 -1.132) 2.124 2.638 ( -2.955 3.461 -1.196) 4.705 2.799 ( -6.023 0.479 -0.715) 6.084 2.840 ( -2.035 1.252 -8.404) 8.737 2.922 ( -6.321 -1.449 -2.553) 6.970 3.027 ( 4.516 2.614 1.692) 5.485 3.149 ( 5.993 -0.855 -3.415) 6.951 3.283 ( -3.289 -2.447 5.831) 7.128 3.392 ( -7.120 -0.704 1.533) 7.317 3.535 ( -5.483 -2.120 -4.358) 7.317 3.583 ( -3.197 -3.322 -3.673) 5.895 3.617 ( -20.012 -0.189 1.668) 20.082 3.837 ( -9.256 0.587 -6.671) 11.425 3.948 ( 1.933 -3.340 9.929) 10.652 4.182 ( 3.155 -3.931 -0.006) 5.041 4.477 ( 0.425 0.417 3.144) 3.200 4.554 ( -1.736 -0.897 -1.460) 2.440 4.923 ( 2.153 -3.830 3.261) 5.471 5.111 ( 4.986 -8.572 -2.968) 10.351 5.596 ( -17.946 -1.784 10.386) 20.811 5.957 ( -8.186 0.157 -4.054) 9.137 6.034 ( -11.032 -1.334 -3.369) 11.612 6.051 ( -7.831 -2.147 -2.071) 8.380 7.016 ( 5.749 -1.916 3.755) 7.129 7.102 ( 9.296 -2.998 -1.180) 9.838 7.157 ( 7.566 1.115 3.564) 8.437 7.366 ( 9.895 -4.704 -3.959) 11.649 8.650 ( -2.727 -2.010 0.545) 3.432 8.676 ( -7.339 -1.820 -0.539) 7.580 8.880 ( 2.931 -4.014 3.826) 6.272 9.096 ( -2.158 -2.450 -5.456) 6.358 9.171 ( -6.177 -1.870 -2.396) 6.884 9.202 ( -1.721 -0.035 -2.467) 3.008 9.549 ( -1.423 1.452 3.310) 3.885 9.678 ( -1.957 0.674 -1.630) 2.634 9.770 ( 4.188 3.481 5.725) 7.902 9.868 ( 10.290 5.654 0.919) 11.776 12.275 ( -3.796 -1.574 0.116) 4.111 12.327 ( 0.965 -0.589 -2.444) 2.693 14.083 ( 0.332 0.353 0.738) 0.883 14.105 ( 2.135 0.295 -0.053) 2.156 20.298 ( -19.052 -0.626 1.426) 19.116 20.422 ( -29.579 -5.944 -4.727) 30.539 21.880 ( -0.327 -4.295 11.278) 12.072 22.156 ( 1.934 -9.695 -2.393) 10.171 22.814 ( 1.264 5.427 0.057) 5.572 22.870 ( 2.184 7.642 -1.457) 8.080 23.675 ( 6.713 -0.049 10.016) 12.058 24.084 ( 4.473 3.403 -4.406) 7.141 24.440 ( -2.305 1.314 -0.219) 2.662 24.617 ( 5.981 -0.172 -11.664) 13.109 25.112 ( 4.656 -3.508 5.966) 8.342 25.250 ( 6.939 -4.101 -1.513) 8.201 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 13.686 14.647) 20.045 0.768 ( 0.000 14.103 11.748) 18.355 1.238 ( 0.000 8.739 -9.774) 13.111 1.345 ( 0.000 10.829 -16.816) 20.002 1.500 ( 0.000 21.832 7.504) 23.086 1.641 ( 0.000 6.187 3.758) 7.239 1.642 ( 0.000 6.888 3.854) 7.893 1.730 ( 0.000 8.313 -0.806) 8.352 1.808 ( 0.000 4.774 0.070) 4.775 1.897 ( -0.000 -5.897 3.229) 6.723 1.913 ( 0.000 8.664 7.778) 11.643 2.012 ( -0.000 -1.136 -3.957) 4.117 2.092 ( -0.000 -5.209 -5.247) 7.393 2.223 ( -0.000 -0.677 4.863) 4.910 2.408 ( 0.000 2.686 -7.334) 7.811 2.461 ( 0.000 0.106 -0.845) 0.852 2.469 ( -0.000 -2.166 3.112) 3.791 2.499 ( -0.000 -0.555 -4.797) 4.829 2.539 ( -0.000 -0.456 -0.239) 0.514 2.556 ( -0.000 -1.265 -2.258) 2.588 2.658 ( -0.000 -5.685 1.274) 5.825 2.722 ( 0.000 1.649 1.295) 2.097 2.832 ( -0.000 -1.508 -9.283) 9.404 2.859 ( -0.000 -0.909 -4.096) 4.196 3.089 ( 0.000 1.426 2.791) 3.134 3.204 ( 0.000 0.986 3.854) 3.979 3.278 ( -0.000 -2.096 0.861) 2.266 3.288 ( 0.000 0.642 -0.138) 0.657 3.404 ( -0.000 -0.271 3.502) 3.513 3.490 ( -0.000 -1.331 -6.294) 6.433 3.615 ( -0.000 -0.764 -6.223) 6.269 3.721 ( 0.000 1.650 -9.701) 9.840 4.042 ( -0.000 -5.155 10.551) 11.743 4.268 ( -0.000 -5.861 1.771) 6.123 4.492 ( -0.000 -0.939 4.647) 4.741 4.547 ( -0.000 -0.679 -0.710) 0.982 4.984 ( -0.000 -2.599 5.355) 5.953 5.280 ( -0.000 -10.188 -4.976) 11.339 5.400 ( 0.000 0.224 12.788) 12.790 5.857 ( -0.000 -1.078 2.689) 2.897 5.932 ( 0.000 1.071 -9.925) 9.982 5.996 ( -0.000 -2.228 -2.813) 3.588 7.095 ( -0.000 -2.207 5.453) 5.882 7.221 ( -0.000 -0.410 -1.572) 1.625 7.229 ( -0.000 -1.461 1.423) 2.040 7.522 ( -0.000 -4.634 -8.304) 9.510 8.611 ( -0.000 -2.200 0.310) 2.221 8.633 ( -0.000 -2.470 -0.541) 2.529 8.941 ( 0.000 0.367 5.776) 5.788 8.954 ( -0.000 -3.990 5.623) 6.895 9.186 ( 0.000 0.628 -4.642) 4.685 9.240 ( -0.000 -5.296 -6.717) 8.553 9.523 ( 0.000 1.176 3.501) 3.693 9.651 ( 0.000 1.578 -1.490) 2.170 9.786 ( 0.000 3.493 6.553) 7.426 9.921 ( 0.000 5.873 0.320) 5.882 12.255 ( -0.000 -2.138 0.699) 2.249 12.354 ( 0.000 0.804 -4.595) 4.665 14.076 ( 0.000 0.294 0.888) 0.935 14.118 ( 0.000 0.324 -0.870) 0.929 20.105 ( 0.000 0.011 0.056) 0.057 20.108 ( 0.000 0.034 -0.056) 0.065 21.930 ( -0.000 -7.460 15.826) 17.496 22.266 ( -0.000 -10.148 -2.275) 10.400 22.767 ( 0.000 7.082 -0.017) 7.082 22.817 ( 0.000 7.122 -0.008) 7.122 23.734 ( 0.000 0.276 8.664) 8.668 24.094 ( 0.000 1.698 -2.578) 3.087 24.398 ( 0.000 2.894 -0.284) 2.908 24.663 ( 0.000 4.015 -18.430) 18.862 25.238 ( -0.000 -8.359 7.961) 11.543 25.380 ( -0.000 -6.389 -1.216) 6.503 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -1.696 -0.000 0.876) 1.909 1.581 ( -0.702 -0.000 -1.933) 2.056 1.629 ( -4.046 -0.000 -0.432) 4.069 1.632 ( -9.643 -0.000 -2.697) 10.013 1.739 ( 1.976 0.000 3.513) 4.031 1.834 ( 3.538 0.000 -0.761) 3.619 1.865 ( -0.179 -0.000 2.672) 2.678 1.968 ( 2.707 0.000 1.859) 3.284 1.976 ( -2.499 -0.000 3.277) 4.121 2.000 ( 1.305 0.000 -0.380) 1.360 2.061 ( -5.662 -0.000 4.211) 7.056 2.111 ( 2.182 0.000 -0.794) 2.321 2.227 ( 3.261 0.000 -1.569) 3.619 2.268 ( -1.676 -0.000 -1.306) 2.124 2.344 ( 1.668 0.000 -6.430) 6.642 2.396 ( 1.102 0.000 -4.165) 4.309 2.400 ( -0.424 -0.000 1.121) 1.199 2.524 ( 0.059 0.000 -7.978) 7.978 2.732 ( -0.463 -0.000 1.320) 1.399 2.750 ( 0.783 0.000 0.513) 0.936 2.956 ( 3.209 0.000 -1.326) 3.472 2.965 ( -1.335 -0.000 -0.964) 1.647 3.008 ( 7.529 0.000 7.127) 10.367 3.051 ( 3.643 0.000 3.352) 4.951 3.110 ( -4.419 -0.000 2.822) 5.243 3.227 ( -6.003 -0.000 -1.464) 6.179 3.248 ( -3.671 -0.000 1.199) 3.862 3.259 ( -4.575 -0.000 0.222) 4.581 3.710 ( -9.528 -0.000 -0.355) 9.535 3.778 ( -0.285 -0.000 -0.952) 0.994 3.803 ( -1.493 -0.000 2.133) 2.603 4.000 ( 2.737 0.000 -3.510) 4.451 4.566 ( -4.554 -0.000 1.731) 4.872 4.655 ( -5.365 -0.000 -2.070) 5.751 4.705 ( -1.597 -0.000 2.610) 3.060 4.837 ( -4.171 -0.000 -2.826) 5.038 5.098 ( -41.625 -0.000 1.041) 41.638 5.142 ( -44.201 -0.000 -0.810) 44.208 6.238 ( -5.185 -0.000 -5.042) 7.232 6.271 ( -17.892 -0.000 -3.620) 18.254 6.444 ( -14.202 -0.000 2.329) 14.392 6.612 ( -18.975 -0.000 -4.535) 19.509 6.640 ( 8.578 0.000 3.289) 9.187 6.725 ( 6.631 0.000 -2.072) 6.947 6.766 ( 9.207 0.000 12.263) 15.334 7.080 ( 1.875 0.000 -1.558) 2.438 8.110 ( 29.220 0.000 0.491) 29.224 8.159 ( 35.575 0.000 -1.425) 35.604 8.985 ( -8.842 -0.000 1.502) 8.969 9.128 ( -12.487 -0.000 -3.634) 13.005 9.216 ( -1.362 -0.000 7.358) 7.483 9.451 ( 8.179 0.000 2.710) 8.617 9.583 ( -1.733 -0.000 -7.419) 7.619 9.649 ( -1.231 -0.000 -6.805) 6.915 9.689 ( 2.759 0.000 9.059) 9.470 9.980 ( -4.152 -0.000 -3.229) 5.259 12.522 ( -17.604 -0.000 2.982) 17.855 12.663 ( -19.564 -0.000 -2.879) 19.775 13.862 ( 12.362 0.000 1.874) 12.503 13.925 ( 11.028 0.000 -0.862) 11.062 21.198 ( -25.308 -0.000 0.791) 25.320 21.241 ( -19.068 -0.000 -1.060) 19.098 21.792 ( 6.072 0.000 2.335) 6.506 21.918 ( -4.904 -0.000 -2.959) 5.727 22.775 ( 4.964 0.000 -0.169) 4.966 22.818 ( 6.873 0.000 -3.135) 7.554 23.244 ( 13.660 0.000 11.520) 17.869 23.691 ( 19.242 0.000 -8.357) 20.978 24.590 ( -8.764 -0.000 -0.134) 8.765 24.604 ( -6.885 -0.000 -0.736) 6.924 24.994 ( 4.268 0.000 0.961) 4.375 25.001 ( 1.910 0.000 0.667) 2.023 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -10.920 5.689 -0.118) 12.314 1.480 ( -1.846 -1.286 -3.171) 3.888 1.577 ( -1.737 2.268 0.794) 2.965 1.606 ( 0.976 -0.204 -0.701) 1.219 1.750 ( -0.283 1.370 5.329) 5.509 1.854 ( -0.439 2.827 -0.393) 2.888 1.886 ( 0.580 1.714 2.308) 2.933 1.903 ( 0.038 0.204 1.089) 1.109 1.962 ( -2.174 2.224 -2.960) 4.293 1.988 ( 1.693 2.848 3.363) 4.721 2.100 ( -1.283 -6.822 2.598) 7.411 2.141 ( -5.799 0.662 3.098) 6.608 2.169 ( -1.792 -1.786 -0.815) 2.658 2.280 ( 2.169 2.386 -3.223) 4.559 2.342 ( -0.829 -0.301 -3.974) 4.071 2.379 ( -3.162 0.501 -0.513) 3.243 2.421 ( 0.167 -2.679 -0.882) 2.826 2.523 ( 0.012 0.968 -6.342) 6.416 2.707 ( -2.060 1.710 -1.835) 3.245 2.746 ( -0.614 1.761 -0.868) 2.057 2.884 ( -2.019 9.754 1.317) 10.048 2.960 ( -0.831 3.569 -2.390) 4.375 2.981 ( -6.747 0.881 0.488) 6.821 3.031 ( -10.859 -1.516 -0.712) 10.988 3.047 ( -1.819 -1.348 2.062) 3.062 3.157 ( 1.432 4.582 -2.043) 5.217 3.203 ( 2.515 -2.878 7.900) 8.776 3.313 ( 2.297 -5.825 0.635) 6.293 3.538 ( -7.962 -0.997 0.672) 8.052 3.678 ( -10.133 -0.604 -5.441) 11.517 3.805 ( 1.779 0.381 7.533) 7.750 4.052 ( 0.977 -0.849 -3.273) 3.520 4.234 ( -38.634 -0.270 1.305) 38.657 4.292 ( -33.033 -0.234 -1.651) 33.075 4.508 ( -2.026 0.378 1.795) 2.733 4.575 ( -4.077 -0.806 -1.106) 4.301 4.794 ( -0.574 -2.231 1.495) 2.747 4.880 ( -0.457 -3.312 -1.883) 3.837 5.909 ( -20.560 -1.038 3.411) 20.867 6.127 ( -6.435 0.846 -7.834) 10.173 6.196 ( -12.614 -0.643 0.481) 12.639 6.264 ( -18.338 -1.263 -2.755) 18.587 6.832 ( 10.858 -0.829 0.311) 10.894 6.856 ( 6.739 -1.180 -0.718) 6.879 6.995 ( 15.076 0.704 8.072) 17.115 7.125 ( 2.861 -1.247 1.730) 3.568 8.535 ( 15.552 -0.242 2.515) 15.756 8.683 ( 17.050 0.319 -3.345) 17.378 8.822 ( -7.909 -1.031 1.080) 8.049 8.921 ( -7.645 -2.356 -3.144) 8.596 9.204 ( 0.101 0.409 2.659) 2.693 9.453 ( -10.892 1.085 -10.167) 14.939 9.585 ( 2.373 -0.130 0.615) 2.455 9.676 ( 2.207 -0.459 -2.029) 3.033 9.768 ( 8.716 1.874 5.728) 10.597 9.848 ( -6.200 0.740 4.228) 7.541 12.323 ( -4.073 -0.066 0.402) 4.093 12.376 ( -11.756 -1.271 -1.663) 11.941 14.033 ( 6.598 0.445 1.151) 6.713 14.062 ( 4.088 0.205 -0.120) 4.095 20.715 ( -26.050 -0.176 1.613) 26.101 20.818 ( -27.093 -2.559 -2.894) 27.367 21.853 ( -2.011 0.109 2.208) 2.989 21.907 ( 4.331 -3.097 -0.365) 5.337 22.861 ( 4.341 1.319 0.209) 4.541 22.935 ( 6.192 1.891 -4.057) 7.641 23.488 ( 12.144 -0.078 13.012) 17.798 24.018 ( 15.645 2.447 -10.037) 18.749 24.469 ( -4.804 -2.218 0.480) 5.313 24.518 ( -1.620 -0.065 -1.437) 2.166 25.031 ( 1.576 0.045 1.712) 2.327 25.082 ( 4.885 -0.665 -0.433) 4.949 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.552 8.915 6.342) 12.752 1.385 ( -14.570 11.037 6.397) 19.366 1.471 ( -0.480 0.365 -6.596) 6.624 1.605 ( -2.087 5.633 -3.535) 6.970 1.718 ( -2.140 -2.526 3.010) 4.475 1.822 ( 0.819 2.180 -3.094) 3.872 1.855 ( -1.616 3.164 5.043) 6.169 1.861 ( -9.926 2.629 6.199) 11.995 1.893 ( -2.888 2.403 -3.810) 5.351 1.922 ( 0.981 3.254 -1.278) 3.631 2.014 ( 1.471 1.349 2.624) 3.296 2.048 ( -11.437 -3.020 -5.991) 13.259 2.214 ( 0.838 -9.043 4.525) 10.147 2.267 ( 0.854 2.450 2.845) 3.851 2.328 ( -0.925 3.978 -2.108) 4.596 2.380 ( 2.616 -1.904 0.835) 3.342 2.443 ( 0.008 1.049 -0.010) 1.049 2.484 ( -0.811 1.685 -1.282) 2.267 2.624 ( -3.030 4.208 -3.489) 6.249 2.665 ( -5.674 3.126 -1.651) 6.685 2.761 ( -0.814 9.518 -1.793) 9.720 2.811 ( -6.164 0.330 1.084) 6.267 2.885 ( -5.512 -1.591 -2.121) 6.117 2.917 ( -1.597 5.749 -7.891) 9.893 3.074 ( 1.934 0.197 0.033) 1.944 3.143 ( 3.756 0.237 -3.801) 5.349 3.247 ( -0.686 -0.144 5.812) 5.855 3.368 ( -2.975 -1.949 0.933) 3.677 3.487 ( -3.120 -3.067 -1.717) 4.700 3.505 ( -4.046 -4.419 -1.570) 6.194 3.613 ( -22.723 -0.158 3.179) 22.945 3.841 ( -3.157 -0.033 -1.335) 3.428 3.911 ( -5.066 -0.742 3.964) 6.475 4.126 ( 2.127 -1.977 -1.161) 3.128 4.487 ( -0.077 0.575 1.774) 1.866 4.535 ( -1.477 -1.154 -0.715) 2.006 4.836 ( 1.051 -4.595 1.907) 5.085 4.943 ( 1.441 -8.038 -1.837) 8.370 5.570 ( -15.886 -0.954 10.396) 19.009 5.957 ( -11.551 -0.231 -1.280) 11.624 6.007 ( -8.600 -1.416 -2.456) 9.055 6.026 ( -6.224 -0.380 -6.865) 9.274 6.976 ( 4.766 -2.126 1.216) 5.358 7.047 ( 9.028 -2.474 -2.189) 9.613 7.166 ( 3.926 0.025 4.907) 6.284 7.311 ( 13.766 -1.384 -0.583) 13.848 8.620 ( -4.166 -1.150 0.544) 4.356 8.648 ( -8.503 -1.143 -0.702) 8.608 8.818 ( 4.235 -2.429 3.172) 5.822 9.034 ( 4.910 -3.108 -6.444) 8.677 9.162 ( -14.799 0.246 -0.789) 14.822 9.206 ( -0.694 0.269 -2.137) 2.263 9.572 ( -1.500 0.927 2.705) 3.229 9.678 ( -1.244 -0.341 -1.726) 2.155 9.829 ( 4.411 2.441 6.557) 8.271 9.957 ( 10.553 3.557 0.059) 11.136 12.243 ( -4.321 -1.330 0.826) 4.595 12.333 ( 3.585 0.654 -3.143) 4.812 14.089 ( 0.052 0.284 0.661) 0.721 14.110 ( 2.098 0.217 -0.145) 2.114 20.290 ( -18.355 -0.288 0.811) 18.375 20.348 ( -23.707 -2.326 -1.831) 23.891 21.832 ( -0.853 -1.304 6.112) 6.307 22.010 ( 2.263 -5.605 -1.937) 6.348 22.899 ( 2.157 3.539 0.548) 4.181 22.995 ( 3.389 4.943 -4.238) 7.340 23.671 ( 6.799 -0.300 12.841) 14.533 24.162 ( 4.069 4.721 -6.023) 8.667 24.438 ( -1.585 -1.752 0.078) 2.364 24.585 ( 6.418 -2.139 -7.294) 9.948 25.066 ( 1.693 -1.486 3.734) 4.361 25.185 ( 4.431 -2.646 -1.707) 5.436 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 11.872 12.173) 17.004 1.029 ( 0.000 13.552 9.324) 16.450 1.414 ( 0.000 9.835 -7.787) 12.545 1.463 ( 0.000 2.462 -10.460) 10.746 1.729 ( 0.000 8.693 5.979) 10.551 1.761 ( -0.000 -7.165 2.613) 7.626 1.780 ( 0.000 6.310 3.562) 7.246 1.811 ( 0.000 5.251 -1.079) 5.360 1.869 ( 0.000 2.860 -2.425) 3.750 1.878 ( 0.000 5.966 -1.356) 6.118 1.978 ( -0.000 -6.670 -5.084) 8.387 2.015 ( 0.000 1.408 1.078) 1.773 2.202 ( 0.000 16.983 1.010) 17.013 2.246 ( 0.000 3.227 7.027) 7.732 2.315 ( -0.000 -9.312 2.889) 9.750 2.425 ( -0.000 -2.292 4.200) 4.785 2.433 ( -0.000 -0.353 -2.911) 2.932 2.522 ( -0.000 -0.399 -1.879) 1.921 2.534 ( -0.000 -0.086 -0.654) 0.659 2.585 ( 0.000 0.683 -1.448) 1.601 2.668 ( 0.000 8.880 -3.742) 9.636 2.752 ( 0.000 1.519 0.042) 1.519 2.838 ( -0.000 -1.276 -3.290) 3.529 2.849 ( 0.000 4.256 -11.877) 12.616 3.107 ( -0.000 -0.057 1.052) 1.053 3.221 ( 0.000 0.794 3.392) 3.484 3.233 ( -0.000 -2.735 -1.309) 3.033 3.300 ( 0.000 0.614 -0.445) 0.758 3.399 ( -0.000 -0.201 4.547) 4.551 3.457 ( -0.000 -1.872 -2.057) 2.781 3.565 ( -0.000 -4.407 -3.949) 5.917 3.751 ( 0.000 1.438 -10.242) 10.343 3.954 ( -0.000 -3.767 10.939) 11.570 4.176 ( -0.000 -3.653 0.214) 3.659 4.486 ( 0.000 0.073 2.181) 2.182 4.533 ( -0.000 -0.955 -0.987) 1.374 4.901 ( -0.000 -5.711 3.518) 6.708 5.062 ( -0.000 -11.833 -2.139) 12.025 5.405 ( 0.000 0.280 13.294) 13.297 5.838 ( -0.000 -0.905 2.367) 2.534 5.938 ( -0.000 -1.106 -6.069) 6.169 5.968 ( -0.000 -0.007 -6.688) 6.688 7.048 ( -0.000 -2.843 3.147) 4.241 7.167 ( -0.000 -3.258 -3.006) 4.433 7.213 ( -0.000 -1.382 4.042) 4.272 7.473 ( -0.000 -0.888 -5.985) 6.051 8.571 ( -0.000 -1.939 0.190) 1.948 8.587 ( -0.000 -2.275 -0.425) 2.315 8.889 ( -0.000 -2.834 4.540) 5.352 8.948 ( 0.000 0.323 5.901) 5.910 9.145 ( -0.000 -4.516 -6.377) 7.814 9.197 ( 0.000 0.554 -4.718) 4.751 9.546 ( 0.000 1.179 3.089) 3.307 9.668 ( 0.000 0.236 -2.523) 2.534 9.854 ( 0.000 3.408 7.164) 7.933 10.024 ( 0.000 4.885 -0.911) 4.969 12.219 ( -0.000 -1.490 1.885) 2.402 12.373 ( 0.000 0.993 -4.891) 4.991 14.082 ( 0.000 0.264 0.897) 0.936 14.124 ( 0.000 0.289 -0.883) 0.929 20.106 ( 0.000 0.015 0.062) 0.064 20.109 ( 0.000 0.025 -0.062) 0.067 21.844 ( -0.000 -2.692 8.909) 9.307 22.093 ( -0.000 -7.773 -2.554) 8.182 22.877 ( 0.000 5.062 0.531) 5.090 22.967 ( 0.000 7.459 -3.380) 8.189 23.735 ( -0.000 -0.099 11.610) 11.611 24.149 ( 0.000 4.147 -3.114) 5.186 24.430 ( 0.000 0.344 0.156) 0.377 24.677 ( -0.000 -1.606 -13.091) 13.189 25.117 ( -0.000 -4.509 5.904) 7.429 25.271 ( -0.000 -5.019 -2.011) 5.407 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -6.426 -0.000 4.007) 7.573 1.468 ( 0.279 0.000 -3.477) 3.488 1.554 ( -15.189 -0.000 7.601) 16.984 1.590 ( -0.516 -0.000 1.359) 1.454 1.684 ( -0.902 -0.000 -0.308) 0.953 1.861 ( -0.494 -0.000 -1.788) 1.855 1.882 ( -8.863 -0.000 -5.833) 10.610 1.885 ( 0.668 0.000 3.391) 3.456 1.911 ( -6.945 -0.000 9.926) 12.114 1.959 ( 1.730 0.000 -1.398) 2.225 2.020 ( -9.905 -0.000 -6.009) 11.585 2.075 ( 0.629 0.000 5.834) 5.868 2.077 ( 1.408 0.000 3.591) 3.857 2.307 ( 0.224 0.000 -2.787) 2.795 2.341 ( 0.478 0.000 -0.827) 0.955 2.349 ( 2.679 0.000 -3.384) 4.316 2.434 ( 2.095 0.000 1.103) 2.368 2.513 ( -3.533 -0.000 -0.579) 3.580 2.675 ( -0.393 -0.000 -10.888) 10.895 2.691 ( -8.975 -0.000 -1.935) 9.181 2.813 ( -5.117 -0.000 0.575) 5.150 2.864 ( -5.372 -0.000 -1.304) 5.528 2.950 ( -1.824 -0.000 -1.652) 2.461 2.970 ( 2.259 0.000 0.387) 2.292 3.021 ( 1.944 0.000 1.314) 2.347 3.144 ( -1.219 -0.000 -6.747) 6.856 3.284 ( -3.166 -0.000 2.115) 3.807 3.332 ( 4.848 0.000 3.618) 6.049 3.447 ( -0.672 -0.000 0.988) 1.195 3.453 ( -8.846 -0.000 -1.675) 9.003 3.612 ( -23.063 -0.000 3.574) 23.339 3.840 ( -0.990 -0.000 1.823) 2.075 3.906 ( -7.790 -0.000 0.361) 7.798 4.108 ( 2.121 0.000 -1.300) 2.488 4.494 ( -0.104 -0.000 1.304) 1.308 4.520 ( -1.578 -0.000 -0.007) 1.578 4.787 ( 0.486 0.000 0.984) 1.098 4.860 ( 0.156 0.000 -1.800) 1.807 5.561 ( -15.070 -0.000 10.568) 18.406 5.954 ( -13.041 -0.000 0.265) 13.043 5.992 ( -8.335 -0.000 -1.966) 8.564 6.025 ( -4.717 -0.000 -9.160) 10.303 6.953 ( 4.270 0.000 0.006) 4.270 7.022 ( 8.896 0.000 -2.554) 9.255 7.165 ( 2.390 0.000 5.948) 6.411 7.300 ( 15.392 0.000 0.299) 15.394 8.609 ( -5.015 -0.000 0.563) 5.046 8.636 ( -9.065 -0.000 -0.739) 9.095 8.795 ( 5.016 0.000 2.873) 5.781 9.003 ( 5.856 0.000 -6.382) 8.661 9.165 ( -16.604 -0.000 -0.793) 16.623 9.209 ( -0.055 -0.000 -2.053) 2.054 9.581 ( -1.487 -0.000 2.407) 2.829 9.674 ( -0.930 -0.000 -1.452) 1.725 9.852 ( 4.477 0.000 6.687) 8.047 9.991 ( 10.679 0.000 -0.265) 10.682 12.231 ( -3.943 -0.000 1.250) 4.136 12.340 ( 3.797 0.000 -3.454) 5.133 14.092 ( -0.124 -0.000 0.628) 0.640 14.112 ( 2.119 0.000 -0.162) 2.125 20.287 ( -18.143 -0.000 0.586) 18.152 20.327 ( -21.912 -0.000 -1.179) 21.944 21.821 ( -1.155 -0.000 4.458) 4.605 21.957 ( 2.355 0.000 -1.563) 2.827 22.934 ( 2.521 0.000 0.623) 2.597 23.041 ( 3.819 0.000 -5.188) 6.442 23.668 ( 6.883 0.000 14.014) 15.613 24.223 ( 4.779 0.000 -9.456) 10.595 24.403 ( -1.261 -0.000 2.571) 2.863 24.564 ( 5.628 0.000 -5.224) 7.679 25.053 ( 0.885 0.000 2.748) 2.887 25.160 ( 3.562 0.000 -1.708) 3.950 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 4.980 8.756) 10.073 1.250 ( 0.000 8.890 8.827) 12.528 1.478 ( -0.000 -0.073 -4.093) 4.094 1.554 ( 0.000 0.197 -1.062) 1.080 1.658 ( 0.000 2.357 -2.513) 3.445 1.809 ( -0.000 -7.557 -6.465) 9.945 1.843 ( 0.000 2.210 9.777) 10.023 1.849 ( 0.000 2.042 -0.272) 2.060 1.885 ( 0.000 2.160 2.924) 3.636 1.932 ( 0.000 1.934 -3.669) 4.148 1.974 ( 0.000 2.284 -1.151) 2.558 2.054 ( 0.000 2.983 4.907) 5.742 2.147 ( -0.000 -7.129 4.858) 8.627 2.295 ( 0.000 1.683 -3.765) 4.124 2.375 ( 0.000 1.543 -3.329) 3.669 2.392 ( -0.000 -1.063 4.907) 5.021 2.431 ( 0.000 1.284 -1.918) 2.308 2.503 ( -0.000 -1.495 0.711) 1.655 2.534 ( 0.000 0.038 -1.171) 1.171 2.666 ( 0.000 3.462 -11.672) 12.175 2.777 ( 0.000 1.063 -1.088) 1.521 2.814 ( -0.000 -1.079 -2.178) 2.430 2.856 ( 0.000 11.506 -0.765) 11.531 2.979 ( 0.000 6.787 -4.008) 7.882 3.067 ( -0.000 -3.677 -0.158) 3.681 3.168 ( -0.000 -4.542 -6.158) 7.652 3.232 ( 0.000 0.292 3.069) 3.083 3.309 ( 0.000 0.259 -0.824) 0.864 3.397 ( -0.000 -0.073 5.418) 5.419 3.434 ( -0.000 -0.072 1.742) 1.743 3.476 ( -0.000 -4.056 0.556) 4.094 3.770 ( 0.000 0.568 -10.590) 10.606 3.909 ( -0.000 -1.136 10.964) 11.023 4.134 ( -0.000 -0.983 -0.760) 1.242 4.492 ( 0.000 0.491 1.392) 1.476 4.513 ( -0.000 -1.020 0.168) 1.034 4.808 ( -0.000 -3.193 1.216) 3.417 4.889 ( -0.000 -5.479 -1.763) 5.755 5.409 ( 0.000 0.134 13.614) 13.614 5.826 ( -0.000 -0.344 2.095) 2.123 5.915 ( -0.000 -0.832 -3.023) 3.136 5.976 ( 0.000 0.364 -9.674) 9.681 7.002 ( -0.000 -1.567 0.678) 1.708 7.120 ( -0.000 -1.467 -3.802) 4.075 7.193 ( -0.000 -0.558 7.227) 7.248 7.468 ( 0.000 0.020 -5.244) 5.244 8.545 ( -0.000 -0.743 0.067) 0.746 8.555 ( -0.000 -0.951 -0.303) 0.998 8.852 ( -0.000 -1.010 3.739) 3.873 8.952 ( 0.000 0.128 5.984) 5.985 9.084 ( -0.000 -1.786 -6.080) 6.337 9.205 ( 0.000 0.219 -4.768) 4.773 9.562 ( 0.000 0.494 2.652) 2.697 9.667 ( -0.000 -0.156 -2.176) 2.181 9.901 ( 0.000 1.351 7.067) 7.195 10.090 ( 0.000 1.900 -1.748) 2.582 12.201 ( -0.000 -0.450 2.767) 2.803 12.386 ( 0.000 0.385 -5.051) 5.066 14.085 ( 0.000 0.106 0.903) 0.909 14.128 ( 0.000 0.115 -0.891) 0.899 20.106 ( 0.000 0.007 0.064) 0.065 20.109 ( 0.000 0.009 -0.064) 0.065 21.814 ( -0.000 -0.710 5.706) 5.750 21.992 ( -0.000 -2.852 -2.130) 3.560 22.948 ( 0.000 2.132 0.793) 2.274 23.065 ( 0.000 2.751 -5.302) 5.973 23.733 ( -0.000 -0.104 13.655) 13.656 24.235 ( 0.000 4.141 -6.236) 7.486 24.407 ( -0.000 -2.220 2.031) 3.009 24.640 ( -0.000 -1.487 -8.561) 8.689 25.067 ( -0.000 -1.168 3.640) 3.822 25.204 ( -0.000 -1.941 -2.263) 2.982 ======================= Grid point 170 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 0.000 -19.880) 19.880 0.670 ( 0.000 0.000 19.880) 19.880 0.767 ( 0.000 0.000 -17.441) 17.441 0.767 ( 0.000 0.000 17.441) 17.441 1.436 ( 0.000 0.000 -29.524) 29.524 1.436 ( 0.000 0.000 29.524) 29.524 1.530 ( 0.000 0.000 -0.828) 0.828 1.530 ( 0.000 0.000 0.828) 0.828 1.723 ( 0.000 0.000 -6.327) 6.327 1.723 ( 0.000 0.000 6.327) 6.327 2.090 ( 0.000 0.000 -5.215) 5.215 2.090 ( 0.000 0.000 5.215) 5.215 2.097 ( 0.000 0.000 -8.291) 8.291 2.097 ( 0.000 0.000 8.291) 8.291 2.390 ( 0.000 0.000 -4.275) 4.275 2.390 ( 0.000 0.000 4.275) 4.275 2.539 ( 0.000 0.000 -1.485) 1.485 2.539 ( 0.000 0.000 1.485) 1.485 2.548 ( 0.000 0.000 -3.473) 3.473 2.548 ( 0.000 0.000 3.473) 3.473 2.772 ( 0.000 0.000 -5.748) 5.748 2.772 ( 0.000 0.000 5.748) 5.748 2.823 ( 0.000 0.000 -0.959) 0.959 2.823 ( 0.000 0.000 0.959) 0.959 3.194 ( 0.000 0.000 -6.165) 6.165 3.194 ( 0.000 0.000 6.165) 6.165 3.255 ( 0.000 0.000 -2.547) 2.547 3.255 ( 0.000 0.000 2.547) 2.547 3.507 ( 0.000 0.000 -8.138) 8.138 3.507 ( 0.000 0.000 8.138) 8.138 3.533 ( 0.000 0.000 -6.418) 6.418 3.533 ( 0.000 0.000 6.418) 6.418 4.323 ( 0.000 0.000 -0.045) 0.045 4.323 ( 0.000 0.000 0.045) 0.045 4.707 ( 0.000 0.000 -13.417) 13.417 4.707 ( 0.000 0.000 13.417) 13.417 5.049 ( 0.000 0.000 -3.802) 3.802 5.049 ( 0.000 0.000 3.802) 3.802 5.663 ( 0.000 0.000 -14.838) 14.838 5.663 ( 0.000 0.000 14.838) 14.838 5.967 ( 0.000 0.000 -4.858) 4.858 5.967 ( 0.000 0.000 4.858) 4.858 7.173 ( 0.000 0.000 -2.929) 2.929 7.173 ( 0.000 0.000 2.929) 2.929 7.458 ( 0.000 0.000 -11.286) 11.286 7.458 ( 0.000 0.000 11.286) 11.286 8.672 ( 0.000 0.000 -0.831) 0.831 8.672 ( 0.000 0.000 0.831) 0.831 9.059 ( 0.000 0.000 -7.029) 7.029 9.059 ( 0.000 0.000 7.029) 7.029 9.218 ( 0.000 0.000 -8.682) 8.682 9.218 ( 0.000 0.000 8.682) 8.682 9.581 ( 0.000 0.000 -4.921) 4.921 9.581 ( 0.000 0.000 4.921) 4.921 9.758 ( 0.000 0.000 -0.357) 0.357 9.758 ( 0.000 0.000 0.357) 0.357 12.325 ( 0.000 0.000 -1.466) 1.466 12.325 ( 0.000 0.000 1.466) 1.466 14.091 ( 0.000 0.000 -1.222) 1.222 14.091 ( 0.000 0.000 1.222) 1.222 20.106 ( 0.000 0.000 -0.057) 0.057 20.106 ( 0.000 0.000 0.057) 0.057 22.494 ( 0.000 0.000 -0.826) 0.826 22.494 ( 0.000 0.000 0.826) 0.826 22.756 ( 0.000 0.000 -7.863) 7.863 22.756 ( 0.000 0.000 7.863) 7.863 23.854 ( 0.000 0.000 -6.614) 6.614 23.854 ( 0.000 0.000 6.614) 6.614 24.247 ( 0.000 0.000 -3.145) 3.145 24.247 ( 0.000 0.000 3.145) 3.145 25.569 ( 0.000 0.000 -1.613) 1.613 25.569 ( 0.000 0.000 1.613) 1.613 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 10.441 -5.734 -16.877) 20.657 0.807 ( 10.441 -5.734 16.877) 20.657 1.008 ( 13.713 -2.855 -15.119) 20.611 1.008 ( 13.713 -2.855 15.119) 20.611 1.532 ( 8.870 -1.683 -7.367) 11.652 1.532 ( 8.870 -1.683 7.367) 11.652 1.639 ( 9.602 -3.959 -14.649) 17.958 1.639 ( 9.602 -3.959 14.649) 17.958 1.759 ( 3.582 -2.280 -6.060) 7.399 1.759 ( 3.582 -2.280 6.060) 7.399 2.043 ( -3.284 1.391 -7.537) 8.338 2.043 ( -3.284 1.391 7.537) 8.338 2.157 ( 6.102 1.396 -5.483) 8.321 2.157 ( 6.102 1.396 5.483) 8.321 2.389 ( 0.071 -0.573 -4.849) 4.884 2.389 ( 0.071 -0.573 4.849) 4.884 2.495 ( -3.593 1.317 -0.687) 3.888 2.495 ( -3.593 1.317 0.687) 3.888 2.534 ( -0.981 -0.309 -2.490) 2.694 2.534 ( -0.981 -0.309 2.490) 2.694 2.767 ( -0.212 1.193 -4.338) 4.504 2.767 ( -0.212 1.193 4.338) 4.504 2.882 ( 5.402 0.437 -3.002) 6.195 2.882 ( 5.402 0.437 3.002) 6.195 3.123 ( -2.398 1.229 -4.270) 5.049 3.123 ( -2.398 1.229 4.270) 5.049 3.410 ( 9.384 0.213 -1.516) 9.508 3.410 ( 9.384 0.213 1.516) 9.508 3.539 ( 1.431 0.136 -5.085) 5.284 3.539 ( 1.431 0.136 5.085) 5.284 3.683 ( 20.029 -0.127 -4.775) 20.590 3.683 ( 20.029 -0.127 4.775) 20.590 4.268 ( -5.995 2.016 -6.649) 9.177 4.268 ( -5.995 2.016 6.649) 9.177 4.593 ( -4.982 2.088 -4.318) 6.916 4.593 ( -4.982 2.088 4.318) 6.916 5.000 ( -5.160 -3.893 -3.131) 7.182 5.000 ( -5.160 -3.893 3.131) 7.182 5.880 ( 16.592 0.952 -12.187) 20.608 5.880 ( 16.592 0.952 12.187) 20.608 6.060 ( 9.935 0.358 -3.574) 10.564 6.060 ( 9.935 0.358 3.574) 10.564 7.093 ( -8.028 -0.332 -1.435) 8.161 7.093 ( -8.028 -0.332 1.435) 8.161 7.364 ( -7.901 2.236 -11.414) 14.060 7.364 ( -7.901 2.236 11.414) 14.060 8.724 ( 3.607 0.698 -0.556) 3.716 8.724 ( 3.607 0.698 0.556) 3.716 9.090 ( 2.983 0.601 -1.923) 3.600 9.090 ( 2.983 0.601 1.923) 3.600 9.188 ( -1.886 1.440 -6.269) 6.703 9.188 ( -1.886 1.440 6.269) 6.703 9.586 ( 0.507 -0.592 -4.781) 4.844 9.586 ( 0.507 -0.592 4.781) 4.844 9.688 ( -7.047 -2.552 -0.548) 7.515 9.688 ( -7.047 -2.552 0.548) 7.515 12.372 ( 6.233 1.879 -2.125) 6.848 12.372 ( 6.233 1.879 2.125) 6.848 14.094 ( -0.802 0.046 -0.985) 1.271 14.094 ( -0.802 0.046 0.985) 1.271 20.437 ( 29.331 1.617 -10.301) 31.129 20.437 ( 29.331 1.617 10.301) 31.129 22.479 ( 0.553 5.792 -1.893) 6.118 22.479 ( 0.553 5.792 1.893) 6.118 22.720 ( -1.420 2.470 -5.417) 6.121 22.720 ( -1.420 2.470 5.417) 6.121 23.770 ( -11.276 -3.972 -6.216) 13.474 23.770 ( -11.276 -3.972 6.216) 13.474 24.335 ( 7.005 -2.883 -0.993) 7.640 24.335 ( 7.005 -2.883 0.993) 7.640 25.367 ( -15.734 2.435 -2.377) 16.098 25.367 ( -15.734 2.435 2.377) 16.098 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 13.285 -6.727 -12.441) 19.404 1.098 ( 13.285 -6.727 12.441) 19.404 1.231 ( 9.283 -4.610 -9.148) 13.824 1.231 ( 9.283 -4.610 9.148) 13.824 1.626 ( 2.336 -0.010 -2.222) 3.224 1.626 ( 2.336 -0.010 2.222) 3.224 1.843 ( 5.436 -1.649 -0.811) 5.738 1.843 ( 5.436 -1.649 0.811) 5.738 1.892 ( 1.989 0.264 -5.838) 6.173 1.892 ( 1.989 0.264 5.838) 6.173 2.078 ( 7.063 -5.514 -10.872) 14.089 2.078 ( 7.063 -5.514 10.872) 14.089 2.259 ( 6.970 -0.343 -2.811) 7.524 2.259 ( 6.970 -0.343 2.811) 7.524 2.385 ( -4.167 1.129 -1.338) 4.520 2.385 ( -4.167 1.129 1.338) 4.520 2.425 ( 0.812 -1.017 -3.816) 4.032 2.425 ( 0.812 -1.017 3.816) 4.032 2.555 ( 2.893 -1.615 -2.297) 4.032 2.555 ( 2.893 -1.615 2.297) 4.032 2.724 ( -2.498 3.194 -3.245) 5.193 2.724 ( -2.498 3.194 3.245) 5.193 2.926 ( -1.362 0.880 -4.146) 4.452 2.926 ( -1.362 0.880 4.146) 4.452 3.142 ( 6.278 1.709 -3.131) 7.220 3.142 ( 6.278 1.709 3.131) 7.220 3.491 ( 0.955 0.784 -4.433) 4.602 3.491 ( 0.955 0.784 4.433) 4.602 3.620 ( 6.348 0.481 -2.613) 6.882 3.620 ( 6.348 0.481 2.613) 6.882 4.066 ( -5.506 2.960 -10.883) 12.551 4.066 ( -5.506 2.960 10.883) 12.551 4.275 ( 35.508 -0.343 -1.460) 35.540 4.275 ( 35.508 -0.343 1.460) 35.540 4.579 ( 3.940 0.479 -4.253) 5.817 4.579 ( 3.940 0.479 4.253) 5.817 4.949 ( -3.180 -2.413 -2.561) 4.743 4.949 ( -3.180 -2.413 2.561) 4.743 6.138 ( 13.634 3.116 -2.450) 14.198 6.138 ( 13.634 3.116 2.450) 14.198 6.292 ( 13.799 0.231 -1.217) 13.854 6.292 ( 13.799 0.231 1.217) 13.854 6.921 ( -10.252 -0.651 -0.943) 10.316 6.921 ( -10.252 -0.651 0.943) 10.316 7.171 ( -9.531 2.932 -11.194) 14.992 7.171 ( -9.531 2.932 11.194) 14.992 8.632 ( -16.791 0.354 -2.055) 16.920 8.632 ( -16.791 0.354 2.055) 16.920 9.090 ( 3.016 4.502 -1.726) 5.688 9.090 ( 3.016 4.502 1.726) 5.688 9.245 ( 7.227 -0.746 -3.452) 8.044 9.245 ( 7.227 -0.746 3.452) 8.044 9.601 ( -4.113 -2.217 -1.959) 5.066 9.601 ( -4.113 -2.217 1.959) 5.066 9.622 ( 1.229 -3.203 -2.492) 4.240 9.622 ( 1.229 -3.203 2.492) 4.240 12.527 ( 13.724 4.404 -3.360) 14.800 12.527 ( 13.724 4.404 3.360) 14.800 14.024 ( -7.382 -0.222 -0.719) 7.421 14.024 ( -7.382 -0.222 0.719) 7.421 20.939 ( 25.096 3.094 -14.174) 28.988 20.939 ( 25.096 3.094 14.174) 28.988 22.371 ( -2.528 13.735 -4.474) 14.665 22.371 ( -2.528 13.735 4.474) 14.665 22.706 ( 0.386 -1.918 -3.039) 3.614 22.706 ( 0.386 -1.918 3.039) 3.614 23.522 ( -20.234 -7.899 -5.126) 22.318 23.522 ( -20.234 -7.899 5.126) 22.318 24.511 ( 9.193 -0.867 -1.826) 9.413 24.511 ( 9.193 -0.867 1.826) 9.413 25.105 ( -9.496 0.473 -2.004) 9.716 25.105 ( -9.496 0.473 2.004) 9.716 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 10.333 -4.612 -6.197) 12.902 1.377 ( 10.333 -4.612 6.197) 12.902 1.473 ( 11.020 -5.475 -1.129) 12.357 1.473 ( 11.020 -5.475 1.129) 12.357 1.662 ( 1.951 0.145 -0.489) 2.016 1.662 ( 1.951 0.145 0.489) 2.016 1.847 ( -0.186 2.592 -0.767) 2.709 1.847 ( -0.186 2.592 0.767) 2.709 1.970 ( 4.309 -0.250 -1.300) 4.508 1.970 ( 4.309 -0.250 1.300) 4.508 2.132 ( -2.917 -1.541 -3.973) 5.165 2.132 ( -2.917 -1.541 3.973) 5.165 2.264 ( -5.766 0.740 -2.291) 6.248 2.264 ( -5.766 0.740 2.291) 6.248 2.425 ( 3.923 -3.362 -3.565) 6.277 2.425 ( 3.923 -3.362 3.565) 6.277 2.522 ( 5.870 -2.064 -3.603) 7.190 2.522 ( 5.870 -2.064 3.603) 7.190 2.616 ( -3.743 -0.969 -1.639) 4.199 2.616 ( -3.743 -0.969 1.639) 4.199 2.667 ( 5.017 0.910 -1.711) 5.379 2.667 ( 5.017 0.910 1.711) 5.379 2.876 ( -1.614 0.714 -3.031) 3.507 2.876 ( -1.614 0.714 3.031) 3.507 3.249 ( 5.333 0.975 -2.390) 5.925 3.249 ( 5.333 0.975 2.390) 5.925 3.469 ( -2.008 2.180 -3.707) 4.746 3.469 ( -2.008 2.180 3.707) 4.746 3.715 ( 4.139 0.537 -2.695) 4.968 3.715 ( 4.139 0.537 2.695) 4.968 3.930 ( -4.884 0.323 -9.092) 10.326 3.930 ( -4.884 0.323 9.092) 10.326 4.634 ( 5.503 0.210 -5.153) 7.542 4.634 ( 5.503 0.210 5.153) 7.542 4.833 ( 1.722 -0.284 -3.162) 3.612 4.833 ( 1.722 -0.284 3.162) 3.612 5.187 ( 41.982 0.161 -1.932) 42.027 5.187 ( 41.982 0.161 1.932) 42.027 6.341 ( 11.424 3.098 -3.853) 12.448 6.341 ( 11.424 3.098 3.853) 12.448 6.519 ( 9.261 0.094 -1.533) 9.388 6.519 ( 9.261 0.094 1.533) 9.388 6.755 ( -6.663 -0.814 -1.414) 6.860 6.755 ( -6.663 -0.814 1.414) 6.860 6.980 ( -7.778 2.425 -10.164) 13.026 6.980 ( -7.778 2.425 10.164) 13.026 8.144 ( -33.096 0.108 -0.032) 33.096 8.144 ( -33.096 0.108 0.032) 33.096 9.149 ( 6.347 3.712 -1.523) 7.509 9.149 ( 6.347 3.712 1.523) 7.509 9.363 ( 3.551 1.326 -3.855) 5.407 9.363 ( 3.551 1.326 3.855) 5.407 9.584 ( 1.411 -1.253 -2.955) 3.506 9.584 ( 1.411 -1.253 2.955) 3.506 9.681 ( 0.223 -5.183 -1.857) 5.510 9.681 ( 0.223 -5.183 1.857) 5.510 12.793 ( 19.874 5.646 -4.308) 21.105 12.793 ( 19.874 5.646 4.308) 21.105 13.822 ( -15.015 -1.415 -2.222) 15.244 13.822 ( -15.015 -1.415 2.222) 15.244 21.304 ( 17.134 0.643 -9.965) 19.832 21.304 ( 17.134 0.643 9.965) 19.832 22.150 ( -7.100 13.475 -4.466) 15.872 22.150 ( -7.100 13.475 4.466) 15.872 22.751 ( 2.438 -1.245 -2.702) 3.846 22.751 ( 2.438 -1.245 2.702) 3.846 23.232 ( -18.269 -9.108 -5.340) 21.100 23.232 ( -18.269 -9.108 5.340) 21.100 24.676 ( 8.640 1.144 -1.711) 8.881 24.676 ( 8.640 1.144 1.711) 8.881 24.988 ( -4.494 -0.467 -1.135) 4.658 24.988 ( -4.494 -0.467 1.135) 4.658 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 4.599 -2.501 -1.963) 5.591 1.551 ( 4.599 -2.501 1.963) 5.591 1.630 ( 0.759 0.322 -1.242) 1.491 1.630 ( 0.759 0.322 1.242) 1.491 1.735 ( 4.832 -2.341 -2.424) 5.891 1.735 ( 4.832 -2.341 2.424) 5.891 1.867 ( 4.641 0.312 -1.762) 4.974 1.867 ( 4.641 0.312 1.762) 4.974 1.994 ( -2.218 1.418 -2.224) 3.446 1.994 ( -2.218 1.418 2.224) 3.446 2.078 ( -1.670 1.157 -1.221) 2.371 2.078 ( -1.670 1.157 1.221) 2.371 2.173 ( -3.255 -1.036 -1.244) 3.636 2.173 ( -3.255 -1.036 1.244) 3.636 2.459 ( -1.138 1.263 -0.892) 1.919 2.459 ( -1.138 1.263 0.892) 1.919 2.542 ( -0.562 -3.496 -1.839) 3.990 2.542 ( -0.562 -3.496 1.839) 3.990 2.627 ( 0.857 1.129 -2.293) 2.696 2.627 ( 0.857 1.129 2.293) 2.696 2.768 ( 5.041 0.291 -3.052) 5.900 2.768 ( 5.041 0.291 3.052) 5.900 2.869 ( -0.995 -2.189 -1.402) 2.783 2.869 ( -0.995 -2.189 1.402) 2.783 3.316 ( 2.847 -0.103 -2.146) 3.567 3.316 ( 2.847 -0.103 2.146) 3.567 3.389 ( -3.319 2.450 -2.586) 4.869 3.389 ( -3.319 2.450 2.586) 4.869 3.763 ( 1.430 0.092 -0.941) 1.714 3.763 ( 1.430 0.092 0.941) 1.714 3.880 ( -1.205 -0.343 -3.553) 3.768 3.880 ( -1.205 -0.343 3.553) 3.768 4.725 ( 4.475 0.243 -4.472) 6.331 4.725 ( 4.475 0.243 4.472) 6.331 4.797 ( -3.325 -0.277 -3.494) 4.831 4.797 ( -3.325 -0.277 3.494) 4.831 5.962 ( 36.373 1.390 -2.106) 36.461 5.962 ( 36.373 1.390 2.106) 36.461 6.408 ( -12.309 -1.815 -2.373) 12.666 6.408 ( -12.309 -1.815 2.373) 12.666 6.534 ( 3.159 2.751 -4.058) 5.832 6.534 ( 3.159 2.751 4.058) 5.832 6.789 ( -0.906 -1.265 -6.478) 6.662 6.789 ( -0.906 -1.265 6.478) 6.662 6.954 ( 16.686 0.897 -5.226) 17.508 6.954 ( 16.686 0.897 5.226) 17.508 7.485 ( -35.557 0.283 -3.104) 35.694 7.485 ( -35.557 0.283 3.104) 35.694 9.233 ( 4.967 1.880 -2.653) 5.936 9.233 ( 4.967 1.880 2.653) 5.936 9.346 ( -2.704 0.300 -3.237) 4.229 9.346 ( -2.704 0.300 3.237) 4.229 9.656 ( 4.509 1.303 -2.051) 5.122 9.656 ( 4.509 1.303 2.051) 5.122 9.709 ( -2.087 -4.033 -1.025) 4.655 9.709 ( -2.087 -4.033 1.025) 4.655 13.140 ( 22.397 5.024 -4.288) 23.351 13.140 ( 22.397 5.024 4.288) 23.351 13.509 ( -20.591 -3.255 -3.439) 21.128 13.509 ( -20.591 -3.255 3.439) 21.128 21.589 ( 12.652 -3.513 -4.562) 13.900 21.589 ( 12.652 -3.513 4.562) 13.900 21.880 ( -10.263 8.686 -0.813) 13.470 21.880 ( -10.263 8.686 0.813) 13.470 22.805 ( 2.639 0.664 -1.942) 3.343 22.805 ( 2.639 0.664 1.942) 3.343 23.047 ( -8.246 -4.840 -3.231) 10.093 23.047 ( -8.246 -4.840 3.231) 10.093 24.809 ( 6.919 1.220 -1.269) 7.140 24.809 ( 6.919 1.220 1.269) 7.140 24.912 ( -4.843 -0.724 -1.277) 5.061 24.912 ( -4.843 -0.724 1.277) 5.061 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 14.780 0.000 -13.026) 19.701 1.028 ( 14.780 0.000 13.026) 19.701 1.191 ( 10.053 0.000 -11.267) 15.100 1.191 ( 10.053 0.000 11.267) 15.100 1.627 ( 2.838 0.000 -2.900) 4.058 1.627 ( 2.838 0.000 2.900) 4.058 1.822 ( 6.195 0.000 -1.177) 6.306 1.822 ( 6.195 0.000 1.177) 6.306 1.896 ( 7.461 0.000 -10.329) 12.742 1.896 ( 7.461 0.000 10.329) 12.742 2.024 ( 4.781 0.000 -8.556) 9.801 2.024 ( 4.781 0.000 8.556) 9.801 2.260 ( 4.690 0.000 -0.905) 4.777 2.260 ( 4.690 0.000 0.905) 4.777 2.400 ( -1.529 -0.000 -0.392) 1.579 2.400 ( -1.529 -0.000 0.392) 1.579 2.412 ( -2.820 -0.000 -2.011) 3.464 2.412 ( -2.820 -0.000 2.011) 3.464 2.539 ( 2.514 0.000 -3.031) 3.938 2.539 ( 2.514 0.000 3.031) 3.938 2.761 ( -2.140 -0.000 -2.790) 3.516 2.761 ( -2.140 -0.000 2.790) 3.516 2.934 ( -0.215 -0.000 -4.660) 4.665 2.934 ( -0.215 -0.000 4.660) 4.665 3.159 ( 5.143 0.000 -3.051) 5.980 3.159 ( 5.143 0.000 3.051) 5.980 3.498 ( 1.028 0.000 -4.120) 4.247 3.498 ( 1.028 0.000 4.120) 4.247 3.627 ( 6.691 0.000 -1.940) 6.967 3.627 ( 6.691 0.000 1.940) 6.967 4.097 ( -8.731 -0.000 -13.127) 15.766 4.097 ( -8.731 -0.000 13.127) 15.766 4.270 ( 37.566 0.000 -1.054) 37.580 4.270 ( 37.566 0.000 1.054) 37.580 4.583 ( 3.749 0.000 -3.494) 5.125 4.583 ( 3.749 0.000 3.494) 5.125 4.918 ( -2.297 -0.000 -0.162) 2.302 4.918 ( -2.297 -0.000 0.162) 2.302 6.168 ( 13.530 0.000 -3.696) 14.026 6.168 ( 13.530 0.000 3.696) 14.026 6.293 ( 13.704 0.000 -0.813) 13.728 6.293 ( 13.704 0.000 0.813) 13.728 6.913 ( -10.359 -0.000 -1.084) 10.415 6.913 ( -10.359 -0.000 1.084) 10.415 7.202 ( -9.912 -0.000 -12.066) 15.615 7.202 ( -9.912 -0.000 12.066) 15.615 8.635 ( -17.161 -0.000 -1.686) 17.244 8.635 ( -17.161 -0.000 1.686) 17.244 9.139 ( 1.968 0.000 -2.354) 3.068 9.139 ( 1.968 0.000 2.354) 3.068 9.236 ( 8.865 0.000 -6.567) 11.033 9.236 ( 8.865 0.000 6.567) 11.033 9.564 ( -2.104 -0.000 -5.825) 6.193 9.564 ( -2.104 -0.000 5.825) 6.193 9.602 ( -1.068 -0.000 -6.135) 6.227 9.602 ( -1.068 -0.000 6.135) 6.227 12.573 ( 14.130 0.000 -2.014) 14.273 12.573 ( 14.130 0.000 2.014) 14.273 14.022 ( -7.685 -0.000 -0.461) 7.699 14.022 ( -7.685 -0.000 0.461) 7.699 20.970 ( 23.952 0.000 -15.998) 28.803 20.970 ( 23.952 0.000 15.998) 28.803 22.527 ( 0.712 0.000 -1.516) 1.675 22.527 ( 0.712 0.000 1.516) 1.675 22.694 ( -2.042 -0.000 -5.729) 6.082 22.694 ( -2.042 -0.000 5.729) 6.082 23.423 ( -22.261 -0.000 -2.630) 22.415 23.423 ( -22.261 -0.000 2.630) 22.415 24.500 ( 10.794 0.000 -0.942) 10.835 24.500 ( 10.794 0.000 0.942) 10.835 25.110 ( -10.568 -0.000 -1.863) 10.730 25.110 ( -10.568 -0.000 1.863) 10.730 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 12.538 -2.424 -6.405) 14.286 1.302 ( 12.538 -2.424 6.405) 14.286 1.412 ( 12.523 -1.487 -4.288) 13.320 1.412 ( 12.523 -1.487 4.288) 13.320 1.671 ( 2.260 0.567 -1.021) 2.544 1.671 ( 2.260 0.567 1.021) 2.544 1.889 ( 0.584 1.316 -0.100) 1.443 1.889 ( 0.584 1.316 0.100) 1.443 1.965 ( 6.242 -0.061 -1.600) 6.445 1.965 ( 6.242 -0.061 1.600) 6.445 2.099 ( -1.594 -1.573 -6.144) 6.539 2.099 ( -1.594 -1.573 6.144) 6.539 2.271 ( -6.964 -0.013 -2.209) 7.306 2.271 ( -6.964 -0.013 2.209) 7.306 2.375 ( 4.340 -1.027 -2.632) 5.179 2.375 ( 4.340 -1.027 2.632) 5.179 2.489 ( 7.415 -1.324 -3.429) 8.275 2.489 ( 7.415 -1.324 3.429) 8.275 2.601 ( 0.243 -0.606 -2.791) 2.866 2.601 ( 0.243 -0.606 2.791) 2.866 2.691 ( -1.249 1.293 -3.474) 3.912 2.691 ( -1.249 1.293 3.474) 3.912 2.910 ( -1.050 1.505 -5.552) 5.848 2.910 ( -1.050 1.505 5.552) 5.848 3.258 ( 4.418 0.106 -1.757) 4.756 3.258 ( 4.418 0.106 1.757) 4.756 3.497 ( -0.904 0.845 -3.620) 3.825 3.497 ( -0.904 0.845 3.620) 3.825 3.731 ( 4.658 0.869 -2.471) 5.344 3.731 ( 4.658 0.869 2.471) 5.344 3.927 ( -7.392 -0.450 -11.913) 14.028 3.927 ( -7.392 -0.450 11.913) 14.028 4.635 ( 5.350 -0.040 -5.794) 7.887 4.635 ( 5.350 -0.040 5.794) 7.887 4.824 ( 0.393 -0.383 -1.416) 1.519 4.824 ( 0.393 -0.383 1.416) 1.519 5.184 ( 44.012 -0.271 -1.805) 44.050 5.184 ( 44.012 -0.271 1.805) 44.050 6.372 ( 7.957 0.438 -3.655) 8.767 6.372 ( 7.957 0.438 3.655) 8.767 6.532 ( 11.931 0.908 -3.127) 12.368 6.532 ( 11.931 0.908 3.127) 12.368 6.735 ( -8.017 -0.814 -2.692) 8.496 6.735 ( -8.017 -0.814 2.692) 8.496 7.022 ( -8.259 1.415 -11.807) 14.478 7.022 ( -8.259 1.415 11.807) 14.478 8.144 ( -33.158 -0.014 -0.511) 33.162 8.144 ( -33.158 -0.014 0.511) 33.162 9.206 ( 5.401 1.864 -5.981) 8.271 9.206 ( 5.401 1.864 5.981) 8.271 9.404 ( 6.472 2.471 -6.252) 9.332 9.404 ( 6.472 2.471 6.252) 9.332 9.548 ( 1.042 -2.147 -6.535) 6.957 9.548 ( 1.042 -2.147 6.535) 6.957 9.599 ( -0.667 -2.753 -6.100) 6.726 9.599 ( -0.667 -2.753 6.100) 6.726 12.876 ( 19.476 2.612 -2.563) 19.816 12.876 ( 19.476 2.612 2.563) 19.816 13.804 ( -15.890 -0.489 -1.922) 16.014 13.804 ( -15.890 -0.489 1.922) 16.014 21.309 ( 13.854 0.026 -10.921) 17.641 21.309 ( 13.854 0.026 10.921) 17.641 22.413 ( -7.693 12.326 -1.509) 14.608 22.413 ( -7.693 12.326 1.509) 14.608 22.706 ( 1.262 -3.830 -2.968) 5.007 22.706 ( 1.262 -3.830 2.968) 5.007 23.068 ( -16.209 -6.569 -3.298) 17.798 23.068 ( -16.209 -6.569 3.298) 17.798 24.687 ( 8.882 0.239 -1.820) 9.070 24.687 ( 8.882 0.239 1.820) 9.070 24.982 ( -4.511 -0.169 -0.643) 4.559 24.982 ( -4.511 -0.169 0.643) 4.559 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 6.252 -2.140 -0.988) 6.682 1.502 ( 6.252 -2.140 0.988) 6.682 1.636 ( 7.875 -0.819 -3.346) 8.595 1.636 ( 7.875 -0.819 3.346) 8.595 1.701 ( 2.399 0.253 -2.133) 3.220 1.701 ( 2.399 0.253 2.133) 3.220 1.902 ( 3.210 2.354 -3.486) 5.291 1.902 ( 3.210 2.354 3.486) 5.291 2.013 ( -4.446 0.566 -2.500) 5.132 2.013 ( -4.446 0.566 2.500) 5.132 2.096 ( 3.749 0.269 -1.605) 4.087 2.096 ( 3.749 0.269 1.605) 4.087 2.164 ( -3.501 -0.451 -0.504) 3.566 2.164 ( -3.501 -0.451 0.504) 3.566 2.439 ( 1.042 -3.165 -2.657) 4.262 2.439 ( 1.042 -3.165 2.657) 4.262 2.483 ( -7.437 -0.185 -1.011) 7.507 2.483 ( -7.437 -0.185 1.011) 7.507 2.652 ( 6.609 0.319 -1.398) 6.763 2.652 ( 6.609 0.319 1.398) 6.763 2.766 ( 5.129 -0.784 -2.168) 5.623 2.766 ( 5.129 -0.784 2.168) 5.623 2.880 ( 0.623 2.686 -3.996) 4.856 2.880 ( 0.623 2.686 3.996) 4.856 3.307 ( 0.846 -0.636 -1.736) 2.033 3.307 ( 0.846 -0.636 1.736) 2.033 3.434 ( -4.180 2.121 -2.716) 5.417 3.434 ( -4.180 2.121 2.716) 5.417 3.777 ( 1.484 1.343 -1.106) 2.286 3.777 ( 1.484 1.343 1.106) 2.286 3.862 ( -1.096 -1.619 -3.605) 4.101 3.862 ( -1.096 -1.619 3.605) 4.101 4.723 ( 3.986 -0.320 -5.414) 6.731 4.723 ( 3.986 -0.320 5.414) 6.731 4.785 ( -3.522 -0.743 -2.344) 4.295 4.785 ( -3.522 -0.743 2.344) 4.295 5.977 ( 36.368 0.352 -2.318) 36.443 5.977 ( 36.368 0.352 2.318) 36.443 6.359 ( -13.314 -2.672 -3.535) 14.033 6.359 ( -13.314 -2.672 3.535) 14.033 6.585 ( -1.739 2.167 -5.502) 6.163 6.585 ( -1.739 2.167 5.502) 6.163 6.787 ( 5.360 0.644 -6.827) 8.704 6.787 ( 5.360 0.644 6.827) 8.704 6.967 ( 12.308 0.509 -6.233) 13.805 6.967 ( 12.308 0.509 6.233) 13.805 7.488 ( -35.533 0.081 -3.434) 35.699 7.488 ( -35.533 0.081 3.434) 35.699 9.279 ( 3.846 2.743 -5.629) 7.348 9.279 ( 3.846 2.743 5.629) 7.348 9.371 ( -3.632 2.023 -4.118) 5.852 9.371 ( -3.632 2.023 4.118) 5.852 9.613 ( -1.815 -4.512 -6.014) 7.734 9.613 ( -1.815 -4.512 6.014) 7.734 9.672 ( 7.296 -0.538 -5.793) 9.332 9.672 ( 7.296 -0.538 5.793) 9.332 13.227 ( 21.065 3.775 -3.216) 21.641 13.227 ( 21.065 3.775 3.216) 21.641 13.460 ( -21.827 -1.906 -3.176) 22.139 13.460 ( -21.827 -1.906 3.176) 22.139 21.519 ( 7.858 -3.090 -4.547) 9.590 21.519 ( 7.858 -3.090 4.547) 9.590 22.081 ( -13.725 11.312 -1.374) 17.839 22.081 ( -13.725 11.312 1.374) 17.839 22.750 ( -2.340 -6.282 -2.654) 7.210 22.750 ( -2.340 -6.282 2.654) 7.210 22.991 ( 3.230 -0.861 -5.520) 6.453 22.991 ( 3.230 -0.861 5.520) 6.453 24.812 ( 3.787 -0.539 -1.380) 4.066 24.812 ( 3.787 -0.539 1.380) 4.066 24.912 ( -2.694 0.532 -1.240) 3.013 24.912 ( -2.694 0.532 1.240) 3.013 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.486 -0.608 -1.309) 2.072 1.565 ( -1.486 -0.608 1.309) 2.072 1.667 ( 1.630 3.685 -1.618) 4.343 1.667 ( 1.630 3.685 1.618) 4.343 1.738 ( -3.578 -1.012 -0.233) 3.726 1.738 ( -3.578 -1.012 0.233) 3.726 1.908 ( -3.067 2.944 -1.831) 4.629 1.908 ( -3.067 2.944 1.831) 4.629 1.970 ( 1.405 -0.523 -2.943) 3.303 1.970 ( 1.405 -0.523 2.943) 3.303 2.075 ( 0.948 0.801 -2.332) 2.642 2.075 ( 0.948 0.801 2.332) 2.642 2.207 ( 4.450 2.434 -1.579) 5.312 2.207 ( 4.450 2.434 1.579) 5.312 2.407 ( -2.012 -4.589 -3.323) 6.012 2.407 ( -2.012 -4.589 3.323) 6.012 2.483 ( -0.633 -4.975 -5.613) 7.527 2.483 ( -0.633 -4.975 5.613) 7.527 2.702 ( 2.038 4.712 -3.777) 6.374 2.702 ( 2.038 4.712 3.777) 6.374 2.788 ( -1.665 3.099 -3.307) 4.828 2.788 ( -1.665 3.099 3.307) 4.828 2.925 ( 4.730 2.807 -1.830) 5.797 2.925 ( 4.730 2.807 1.830) 5.797 3.304 ( -3.475 -1.485 -3.142) 4.914 3.304 ( -3.475 -1.485 3.142) 4.914 3.355 ( -0.840 -0.816 -1.009) 1.546 3.355 ( -0.840 -0.816 1.009) 1.546 3.770 ( -1.227 0.756 -2.491) 2.878 3.770 ( -1.227 0.756 2.491) 2.878 3.878 ( 1.325 -0.434 -4.070) 4.302 3.878 ( 1.325 -0.434 4.070) 4.302 4.714 ( -4.708 -0.772 -3.402) 5.860 4.714 ( -4.708 -0.772 3.402) 5.860 4.790 ( 2.612 -0.895 -4.436) 5.225 4.790 ( 2.612 -0.895 4.436) 5.225 5.926 ( -35.878 -2.248 -1.507) 35.980 5.926 ( -35.878 -2.248 1.507) 35.980 6.410 ( 4.994 -1.150 -1.175) 5.258 6.410 ( 4.994 -1.150 1.175) 5.258 6.504 ( 0.693 -0.615 -6.696) 6.760 6.504 ( 0.693 -0.615 6.696) 6.760 6.832 ( 2.510 2.890 -8.707) 9.511 6.832 ( 2.510 2.890 8.707) 9.511 6.936 ( -20.084 -0.929 -6.090) 21.008 6.936 ( -20.084 -0.929 6.090) 21.008 7.478 ( 35.691 -0.403 -2.616) 35.789 7.478 ( 35.691 -0.403 2.616) 35.789 9.217 ( -6.941 0.142 -3.011) 7.567 9.217 ( -6.941 0.142 3.011) 7.567 9.362 ( 2.482 1.743 -5.360) 6.159 9.362 ( 2.482 1.743 5.360) 6.159 9.605 ( -3.186 -3.803 -5.106) 7.119 9.605 ( -3.186 -3.803 5.106) 7.119 9.772 ( 4.060 2.499 -6.021) 7.680 9.772 ( 4.060 2.499 6.021) 7.680 13.056 ( -23.516 -3.747 -4.432) 24.221 13.056 ( -23.516 -3.747 4.432) 24.221 13.572 ( 19.005 3.227 -3.147) 19.533 13.572 ( 19.005 3.227 3.147) 19.533 21.588 ( -10.821 -3.778 -0.441) 11.470 21.588 ( -10.821 -3.778 0.441) 11.470 21.827 ( 0.747 2.929 -4.741) 5.623 21.827 ( 0.747 2.929 4.741) 5.623 22.758 ( -1.282 -3.537 -2.261) 4.390 22.758 ( -1.282 -3.537 2.261) 4.390 23.136 ( 12.906 4.115 -8.147) 15.808 23.136 ( 12.906 4.115 8.147) 15.808 24.774 ( -7.293 -2.135 -0.861) 7.647 24.774 ( -7.293 -2.135 0.861) 7.647 24.933 ( 4.059 1.207 -1.367) 4.450 24.933 ( 4.059 1.207 1.367) 4.450 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -8.699 3.261 -5.755) 10.928 1.449 ( -8.699 3.261 5.755) 10.928 1.606 ( -6.398 7.175 -3.210) 10.135 1.606 ( -6.398 7.175 3.210) 10.135 1.664 ( -1.327 0.557 -1.033) 1.771 1.664 ( -1.327 0.557 1.033) 1.771 1.828 ( -0.238 1.359 -0.201) 1.394 1.828 ( -0.238 1.359 0.201) 1.394 1.971 ( -1.426 -0.014 -0.808) 1.639 1.971 ( -1.426 -0.014 0.808) 1.639 2.146 ( 3.468 -0.186 -1.837) 3.929 2.146 ( 3.468 -0.186 1.837) 3.929 2.260 ( 3.942 0.689 -1.967) 4.459 2.260 ( 3.942 0.689 1.967) 4.459 2.430 ( -1.694 -2.489 -3.135) 4.346 2.430 ( -1.694 -2.489 3.135) 4.346 2.519 ( -0.663 -5.270 -5.854) 7.905 2.519 ( -0.663 -5.270 5.854) 7.905 2.656 ( -4.224 4.651 -3.513) 7.199 2.656 ( -4.224 4.651 3.513) 7.199 2.706 ( 0.386 6.159 -2.642) 6.713 2.706 ( 0.386 6.159 2.642) 6.713 2.924 ( 0.268 5.300 -2.470) 5.853 2.924 ( 0.268 5.300 2.470) 5.853 3.222 ( -6.298 -1.733 -2.410) 6.962 3.222 ( -6.298 -1.733 2.410) 6.962 3.412 ( 2.378 -4.062 -3.288) 5.742 3.412 ( 2.378 -4.062 3.288) 5.742 3.713 ( -4.436 0.195 -2.906) 5.306 3.713 ( -4.436 0.195 2.906) 5.306 3.919 ( 2.908 -0.636 -7.868) 8.412 3.919 ( 2.908 -0.636 7.868) 8.412 4.626 ( -5.417 -0.610 -4.163) 6.859 4.626 ( -5.417 -0.610 4.163) 6.859 4.826 ( -2.735 -1.123 -4.164) 5.107 4.826 ( -2.735 -1.123 4.164) 5.107 5.171 ( -41.148 -1.604 -1.722) 41.216 5.171 ( -41.148 -1.604 1.722) 41.216 6.274 ( -12.408 -3.538 -3.491) 13.366 6.274 ( -12.408 -3.538 3.491) 13.366 6.522 ( -11.157 0.042 -3.015) 11.557 6.522 ( -11.157 0.042 3.015) 11.557 6.749 ( 6.152 -1.553 -2.455) 6.803 6.749 ( 6.152 -1.553 2.455) 6.803 6.955 ( 7.279 0.008 -9.136) 11.681 6.955 ( 7.279 0.008 9.136) 11.681 8.139 ( 32.906 -0.342 -0.721) 32.916 8.139 ( 32.906 -0.342 0.721) 32.916 9.087 ( -7.961 -2.701 -2.809) 8.863 9.087 ( -7.961 -2.701 2.809) 8.863 9.357 ( -2.604 0.575 -4.930) 5.605 9.357 ( -2.604 0.575 4.930) 5.605 9.588 ( -0.084 -0.824 -1.875) 2.050 9.588 ( -0.084 -0.824 1.875) 2.050 9.773 ( -0.089 4.492 -5.661) 7.227 9.773 ( -0.089 4.492 5.661) 7.227 12.690 ( -19.754 -5.025 -4.945) 20.974 12.690 ( -19.754 -5.025 4.945) 20.974 13.854 ( 13.624 1.876 -2.335) 13.949 13.854 ( 13.624 1.876 2.335) 13.949 21.280 ( -21.064 -2.008 -6.884) 22.251 21.280 ( -21.064 -2.008 6.884) 22.251 21.953 ( 5.651 -7.323 -3.411) 9.859 21.953 ( 5.651 -7.323 3.411) 9.859 22.767 ( 0.552 0.638 -1.686) 1.885 22.767 ( 0.552 0.638 1.686) 1.885 23.375 ( 17.658 6.021 -9.666) 21.012 23.375 ( 17.658 6.021 9.666) 21.012 24.645 ( -8.186 -2.015 -1.066) 8.497 24.645 ( -8.186 -2.015 1.066) 8.497 24.997 ( 3.974 0.499 -1.270) 4.201 24.997 ( 3.974 0.499 1.270) 4.201 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -9.946 6.271 -12.133) 16.895 1.226 ( -9.946 6.271 12.133) 16.895 1.379 ( -7.898 10.709 -4.247) 13.968 1.379 ( -7.898 10.709 4.247) 13.968 1.638 ( -0.672 1.582 -1.966) 2.612 1.638 ( -0.672 1.582 1.966) 2.612 1.847 ( 0.385 -0.630 -2.903) 2.995 1.847 ( 0.385 -0.630 2.903) 2.995 1.917 ( -2.702 2.528 -3.502) 5.095 1.917 ( -2.702 2.528 3.502) 5.095 2.158 ( -1.999 1.070 -4.230) 4.800 2.158 ( -1.999 1.070 4.230) 4.800 2.301 ( -7.050 2.823 -4.145) 8.652 2.301 ( -7.050 2.823 4.145) 8.652 2.381 ( 0.241 1.537 -2.698) 3.114 2.381 ( 0.241 1.537 2.698) 3.114 2.445 ( -3.246 1.840 -3.498) 5.114 2.445 ( -3.246 1.840 3.498) 5.114 2.584 ( -2.488 0.204 -3.689) 4.454 2.584 ( -2.488 0.204 3.689) 4.454 2.679 ( 1.110 0.266 -3.217) 3.414 2.679 ( 1.110 0.266 3.217) 3.414 2.920 ( 2.645 1.108 -2.320) 3.689 2.920 ( 2.645 1.108 2.320) 3.689 3.103 ( -7.790 -2.272 -2.712) 8.555 3.103 ( -7.790 -2.272 2.712) 8.555 3.464 ( -0.691 -2.313 -4.826) 5.396 3.464 ( -0.691 -2.313 4.826) 5.396 3.612 ( -6.128 -0.494 -3.481) 7.065 3.612 ( -6.128 -0.494 3.481) 7.065 4.005 ( 2.638 -3.096 -8.432) 9.362 4.005 ( 2.638 -3.096 8.432) 9.362 4.277 ( -34.653 -0.096 -1.595) 34.690 4.277 ( -34.653 -0.096 1.595) 34.690 4.566 ( -4.000 -0.764 -3.773) 5.551 4.566 ( -4.000 -0.764 3.773) 5.551 4.970 ( 3.296 -0.872 -4.599) 5.725 4.970 ( 3.296 -0.872 4.599) 5.725 6.068 ( -13.324 -3.807 -2.023) 14.005 6.068 ( -13.324 -3.807 2.023) 14.005 6.278 ( -14.443 -1.344 -2.097) 14.656 6.278 ( -14.443 -1.344 2.097) 14.656 6.924 ( 9.862 -0.786 -1.103) 9.955 6.924 ( 9.862 -0.786 1.103) 9.955 7.118 ( 8.932 -2.016 -8.803) 12.701 7.118 ( 8.932 -2.016 8.803) 12.701 8.622 ( 16.066 -0.668 -2.951) 16.348 8.622 ( 16.066 -0.668 2.951) 16.348 8.997 ( -4.067 -5.089 -4.115) 7.705 8.997 ( -4.067 -5.089 4.115) 7.705 9.260 ( -6.091 0.875 -4.874) 7.851 9.260 ( -6.091 0.875 4.874) 7.851 9.624 ( 2.624 0.731 -4.574) 5.323 9.624 ( 2.624 0.731 4.574) 5.323 9.712 ( 0.314 5.347 -4.576) 7.045 9.712 ( 0.314 5.347 4.576) 7.045 12.438 ( -12.064 -4.527 -3.905) 13.464 12.438 ( -12.064 -4.527 3.905) 13.464 14.031 ( 6.657 0.592 -0.975) 6.754 14.031 ( 6.657 0.592 0.975) 6.754 20.868 ( -26.710 -4.127 -9.730) 28.725 20.868 ( -26.710 -4.127 9.730) 28.725 22.125 ( 3.159 -11.346 -6.759) 13.579 22.125 ( 3.159 -11.346 6.759) 13.579 22.761 ( 0.916 3.689 -1.830) 4.219 22.761 ( 0.916 3.689 1.830) 4.219 23.651 ( 16.973 5.552 -10.630) 20.782 23.651 ( 16.973 5.552 10.630) 20.782 24.520 ( -6.303 -0.124 -1.887) 6.580 24.520 ( -6.303 -0.124 1.887) 6.580 25.093 ( 7.027 -0.862 -2.160) 7.402 25.093 ( 7.027 -0.862 2.160) 7.402 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -7.570 10.930 -15.206) 20.199 0.978 ( -7.570 10.930 15.206) 20.199 1.112 ( -12.705 8.466 -11.956) 19.392 1.112 ( -12.705 8.466 11.956) 19.392 1.586 ( -2.642 4.188 -0.992) 5.050 1.586 ( -2.642 4.188 0.992) 5.050 1.743 ( -7.837 5.694 -4.528) 10.693 1.743 ( -7.837 5.694 4.528) 10.693 1.850 ( -3.423 5.525 -9.452) 11.471 1.850 ( -3.423 5.525 9.452) 11.471 2.042 ( -1.059 4.232 -10.323) 11.207 2.042 ( -1.059 4.232 10.323) 11.207 2.110 ( -7.121 -3.323 -4.933) 9.279 2.110 ( -7.121 -3.323 4.933) 9.279 2.401 ( 0.077 0.517 -4.541) 4.571 2.401 ( 0.077 0.517 4.541) 4.571 2.465 ( 3.049 -1.548 -2.168) 4.049 2.465 ( 3.049 -1.548 2.168) 4.049 2.542 ( -0.525 0.620 -1.158) 1.415 2.542 ( -0.525 0.620 1.158) 1.415 2.723 ( 1.022 -3.433 -4.397) 5.671 2.723 ( 1.022 -3.433 4.397) 5.671 2.875 ( -7.147 -0.329 -3.626) 8.021 2.875 ( -7.147 -0.329 3.626) 8.021 3.090 ( 4.445 -1.814 -4.737) 6.744 3.090 ( 4.445 -1.814 4.737) 6.744 3.400 ( -8.301 -0.942 -2.923) 8.851 3.400 ( -8.301 -0.942 2.923) 8.851 3.536 ( -1.718 -0.341 -2.906) 3.393 3.536 ( -1.718 -0.341 2.906) 3.393 3.688 ( -18.985 0.424 -5.619) 19.804 3.688 ( -18.985 0.424 5.619) 19.804 4.204 ( 5.610 -4.497 -7.617) 10.475 4.204 ( 5.610 -4.497 7.617) 10.475 4.550 ( 0.955 -1.955 -1.868) 2.868 4.550 ( 0.955 -1.955 1.868) 2.868 5.065 ( 6.673 1.170 -7.648) 10.217 5.065 ( 6.673 1.170 7.648) 10.217 5.847 ( -14.046 -2.327 -10.591) 17.745 5.847 ( -14.046 -2.327 10.591) 17.745 6.046 ( -10.518 -1.232 -2.011) 10.779 6.046 ( -10.518 -1.232 2.011) 10.779 7.100 ( 7.856 0.006 -2.051) 8.119 7.100 ( 7.856 0.006 2.051) 8.119 7.302 ( 7.307 -3.603 -9.795) 12.740 7.302 ( 7.307 -3.603 9.795) 12.740 8.700 ( -4.228 -1.786 -0.642) 4.634 8.700 ( -4.228 -1.786 0.642) 4.634 9.056 ( 1.899 -3.266 -4.377) 5.782 9.056 ( 1.899 -3.266 4.377) 5.782 9.161 ( -3.068 -0.806 -2.361) 3.954 9.161 ( -3.068 -0.806 2.361) 3.954 9.604 ( -1.620 1.115 -4.273) 4.704 9.604 ( -1.620 1.115 4.273) 4.704 9.763 ( 7.631 4.970 -1.514) 9.231 9.763 ( 7.631 4.970 1.514) 9.231 12.324 ( -4.348 -2.650 -2.167) 5.533 12.324 ( -4.348 -2.650 2.167) 5.533 14.094 ( 0.917 0.081 -0.796) 1.217 14.094 ( 0.917 0.081 0.796) 1.217 20.390 ( -26.453 -2.892 -6.589) 27.415 20.390 ( -26.453 -2.892 6.589) 27.415 22.277 ( 0.982 -12.957 -7.248) 14.879 22.277 ( 0.982 -12.957 7.248) 14.879 22.736 ( 0.554 4.043 -2.689) 4.887 22.736 ( 0.554 4.043 2.689) 4.887 23.853 ( 8.818 3.893 -11.545) 15.040 23.853 ( 8.818 3.893 11.545) 15.040 24.411 ( -3.594 4.136 -2.629) 6.077 24.411 ( -3.594 4.136 2.629) 6.077 25.293 ( 11.022 -4.896 -3.229) 12.485 25.293 ( 11.022 -4.896 3.229) 12.485 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 11.329 -17.376) 20.743 0.791 ( 0.000 11.329 17.376) 20.743 0.839 ( 0.000 7.285 -16.028) 17.606 0.839 ( 0.000 7.285 16.028) 17.606 1.512 ( 0.000 7.072 -20.744) 21.917 1.512 ( 0.000 7.072 20.744) 21.917 1.580 ( 0.000 5.064 -1.531) 5.291 1.580 ( 0.000 5.064 1.531) 5.291 1.767 ( 0.000 5.364 -8.217) 9.812 1.767 ( 0.000 5.364 8.217) 9.812 2.058 ( -0.000 -2.645 -9.645) 10.001 2.058 ( -0.000 -2.645 9.645) 10.001 2.063 ( -0.000 -2.906 -5.352) 6.090 2.063 ( -0.000 -2.906 5.352) 6.090 2.397 ( 0.000 0.682 -6.452) 6.488 2.397 ( 0.000 0.682 6.452) 6.488 2.525 ( -0.000 -2.005 -3.953) 4.432 2.525 ( -0.000 -2.005 3.953) 4.432 2.534 ( -0.000 -0.547 -1.473) 1.571 2.534 ( -0.000 -0.547 1.473) 1.571 2.773 ( 0.000 0.065 -5.329) 5.329 2.773 ( 0.000 0.065 5.329) 5.329 2.787 ( -0.000 -3.515 -2.007) 4.047 2.787 ( -0.000 -3.515 2.007) 4.047 3.193 ( -0.000 -0.435 -7.138) 7.152 3.193 ( -0.000 -0.435 7.138) 7.152 3.259 ( 0.000 0.372 -2.465) 2.493 3.259 ( 0.000 0.372 2.465) 2.493 3.513 ( 0.000 0.560 -8.539) 8.557 3.513 ( 0.000 0.560 8.539) 8.557 3.530 ( -0.000 -0.315 -5.243) 5.253 3.530 ( -0.000 -0.315 5.243) 5.253 4.294 ( -0.000 -3.105 -6.099) 6.844 4.294 ( -0.000 -3.105 6.099) 6.844 4.618 ( -0.000 -5.872 -4.526) 7.414 4.618 ( -0.000 -5.872 4.526) 7.414 5.138 ( 0.000 4.625 -11.030) 11.961 5.138 ( 0.000 4.625 11.030) 11.961 5.667 ( 0.000 0.468 -15.014) 15.022 5.667 ( 0.000 0.468 15.014) 15.022 5.956 ( -0.000 -1.102 -4.623) 4.752 5.956 ( -0.000 -1.102 4.623) 4.752 7.178 ( 0.000 0.392 -2.579) 2.608 7.178 ( 0.000 0.392 2.579) 2.608 7.415 ( -0.000 -3.999 -10.890) 11.601 7.415 ( -0.000 -3.999 10.890) 11.601 8.658 ( -0.000 -1.493 -0.788) 1.688 8.658 ( -0.000 -1.493 0.788) 1.688 9.062 ( 0.000 0.335 -7.077) 7.085 9.062 ( 0.000 0.335 7.077) 7.085 9.176 ( -0.000 -3.948 -8.698) 9.553 9.176 ( -0.000 -3.948 8.698) 9.553 9.583 ( 0.000 0.442 -4.146) 4.170 9.583 ( 0.000 0.442 4.146) 4.170 9.805 ( 0.000 4.271 -2.204) 4.806 9.805 ( 0.000 4.271 2.204) 4.806 12.306 ( -0.000 -1.582 -1.672) 2.302 12.306 ( -0.000 -1.582 1.672) 2.302 14.093 ( 0.000 0.198 -1.228) 1.244 14.093 ( 0.000 0.198 1.228) 1.244 20.106 ( 0.000 0.015 -0.065) 0.067 20.106 ( 0.000 0.015 0.065) 0.067 22.398 ( -0.000 -10.948 -4.539) 11.852 22.398 ( -0.000 -10.948 4.539) 11.852 22.718 ( 0.000 0.536 -4.083) 4.118 22.718 ( 0.000 0.536 4.083) 4.118 23.901 ( 0.000 3.313 -11.710) 12.170 23.901 ( 0.000 3.313 11.710) 12.170 24.320 ( 0.000 6.476 -0.844) 6.531 24.320 ( 0.000 6.476 0.844) 6.531 25.489 ( -0.000 -7.435 -0.877) 7.487 25.489 ( -0.000 -7.435 0.877) 7.487 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 7.057 0.000 -1.900) 7.308 1.481 ( 7.057 0.000 1.900) 7.308 1.622 ( 9.925 0.000 -2.573) 10.253 1.622 ( 9.925 0.000 2.573) 10.253 1.714 ( 1.762 0.000 -0.295) 1.787 1.714 ( 1.762 0.000 0.295) 1.787 1.930 ( 3.469 0.000 -5.495) 6.498 1.930 ( 3.469 0.000 5.495) 6.498 2.017 ( -5.357 -0.000 -2.494) 5.909 2.017 ( -5.357 -0.000 2.494) 5.909 2.091 ( 4.248 0.000 -1.882) 4.646 2.091 ( 4.248 0.000 1.882) 4.646 2.156 ( -2.206 -0.000 -1.192) 2.508 2.156 ( -2.206 -0.000 1.192) 2.508 2.412 ( 0.587 0.000 -0.481) 0.759 2.412 ( 0.587 0.000 0.481) 0.759 2.484 ( -8.871 -0.000 -0.261) 8.875 2.484 ( -8.871 -0.000 0.261) 8.875 2.652 ( 8.454 0.000 -2.535) 8.826 2.652 ( 8.454 0.000 2.535) 8.826 2.757 ( 5.934 0.000 -2.213) 6.333 2.757 ( 5.934 0.000 2.213) 6.333 2.912 ( 0.329 0.000 -5.202) 5.212 2.912 ( 0.329 0.000 5.202) 5.212 3.300 ( 0.280 0.000 -0.922) 0.964 3.300 ( 0.280 0.000 0.922) 0.964 3.456 ( -4.464 -0.000 -2.848) 5.295 3.456 ( -4.464 -0.000 2.848) 5.295 3.802 ( 1.442 0.000 -5.281) 5.475 3.802 ( 1.442 0.000 5.281) 5.475 3.833 ( -0.983 -0.000 -6.646) 6.718 3.833 ( -0.983 -0.000 6.646) 6.718 4.719 ( 3.717 0.000 -5.825) 6.910 4.719 ( 3.717 0.000 5.825) 6.910 4.777 ( -3.530 -0.000 -1.782) 3.954 4.777 ( -3.530 -0.000 1.782) 3.954 5.980 ( 36.335 0.000 -2.338) 36.410 5.980 ( 36.335 0.000 2.338) 36.410 6.331 ( -13.359 -0.000 -3.686) 13.858 6.331 ( -13.359 -0.000 3.686) 13.858 6.606 ( -5.035 -0.000 -8.230) 9.648 6.606 ( -5.035 -0.000 8.230) 9.648 6.796 ( 9.653 0.000 -8.224) 12.681 6.796 ( 9.653 0.000 8.224) 12.681 6.972 ( 9.862 0.000 -7.855) 12.608 6.972 ( 9.862 0.000 7.855) 12.608 7.489 ( -35.533 -0.000 -3.534) 35.708 7.489 ( -35.533 -0.000 3.534) 35.708 9.313 ( 4.456 0.000 -8.509) 9.605 9.313 ( 4.456 0.000 8.509) 9.605 9.396 ( -5.645 -0.000 -8.353) 10.082 9.396 ( -5.645 -0.000 8.353) 10.082 9.561 ( -1.733 -0.000 -10.197) 10.343 9.561 ( -1.733 -0.000 10.197) 10.343 9.664 ( 9.028 0.000 -9.624) 13.196 9.664 ( 9.028 0.000 9.624) 13.196 13.264 ( 20.483 0.000 -2.252) 20.606 13.264 ( 20.483 0.000 2.252) 20.606 13.442 ( -22.336 -0.000 -2.928) 22.527 13.442 ( -22.336 -0.000 2.928) 22.527 21.489 ( 6.376 0.000 -4.374) 7.732 21.489 ( 6.376 0.000 4.374) 7.732 22.216 ( -18.873 -0.000 -3.899) 19.272 22.216 ( -18.873 -0.000 3.899) 19.272 22.660 ( -0.467 -0.000 -1.575) 1.643 22.660 ( -0.467 -0.000 1.575) 1.643 22.988 ( 7.191 0.000 -7.854) 10.649 22.988 ( 7.191 0.000 7.854) 10.649 24.805 ( 2.200 0.000 -1.327) 2.569 24.805 ( 2.200 0.000 1.327) 2.569 24.919 ( -1.479 -0.000 -1.330) 1.989 24.919 ( -1.479 -0.000 1.330) 1.989 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.684 -0.421 -1.325) 1.550 1.553 ( 0.684 -0.421 1.325) 1.550 1.715 ( -2.491 0.407 -0.721) 2.625 1.715 ( -2.491 0.407 0.721) 2.625 1.737 ( 2.635 1.249 -2.277) 3.700 1.737 ( 2.635 1.249 2.277) 3.700 1.935 ( -0.908 0.396 -2.111) 2.332 1.935 ( -0.908 0.396 2.111) 2.332 1.997 ( 2.055 3.124 -6.559) 7.550 1.997 ( 2.055 3.124 6.559) 7.550 2.074 ( 0.061 -1.887 -4.541) 4.918 2.074 ( 0.061 -1.887 4.541) 4.918 2.244 ( 4.764 0.842 -3.165) 5.781 2.244 ( 4.764 0.842 3.165) 5.781 2.324 ( -5.913 -2.449 -1.959) 6.693 2.324 ( -5.913 -2.449 1.959) 6.693 2.426 ( -0.503 -1.415 -2.857) 3.227 2.426 ( -0.503 -1.415 2.857) 3.227 2.743 ( 1.750 0.610 -0.676) 1.973 2.743 ( 1.750 0.610 0.676) 1.973 2.876 ( 4.736 4.742 -3.205) 7.429 2.876 ( 4.736 4.742 3.205) 7.429 2.946 ( 5.701 -0.901 -1.102) 5.876 2.946 ( 5.701 -0.901 1.102) 5.876 3.276 ( -3.205 -0.955 -3.425) 4.786 3.276 ( -3.205 -0.955 3.425) 4.786 3.353 ( -5.270 0.174 -1.307) 5.433 3.353 ( -5.270 0.174 1.307) 5.433 3.786 ( -1.480 0.711 -3.234) 3.627 3.786 ( -1.480 0.711 3.234) 3.627 3.866 ( 1.962 -0.595 -4.218) 4.690 3.866 ( 1.962 -0.595 4.218) 4.690 4.702 ( -4.728 -0.405 -2.650) 5.435 4.702 ( -4.728 -0.405 2.650) 5.435 4.772 ( 1.747 -0.752 -4.901) 5.257 4.772 ( 1.747 -0.752 4.901) 5.257 5.891 ( -35.068 -1.149 -0.849) 35.097 5.891 ( -35.068 -1.149 0.849) 35.097 6.391 ( 0.416 -0.594 -2.691) 2.787 6.391 ( 0.416 -0.594 2.691) 2.787 6.498 ( 3.644 -0.149 -6.241) 7.229 6.498 ( 3.644 -0.149 6.241) 7.229 6.877 ( 2.096 1.485 -9.332) 9.679 6.877 ( 2.096 1.485 9.332) 9.679 6.922 ( -22.010 -0.461 -7.217) 23.167 6.922 ( -22.010 -0.461 7.217) 23.167 7.472 ( 35.905 -0.202 -2.233) 35.975 7.472 ( 35.905 -0.202 2.233) 35.975 9.230 ( -8.932 0.799 -5.873) 10.719 9.230 ( -8.932 0.799 5.873) 10.719 9.399 ( 2.889 1.842 -7.885) 8.598 9.399 ( 2.889 1.842 7.885) 8.598 9.533 ( -2.339 -3.130 -8.760) 9.592 9.533 ( -2.339 -3.130 8.760) 9.592 9.801 ( 5.480 0.748 -9.755) 11.214 9.801 ( 5.480 0.748 9.755) 11.214 13.008 ( -24.044 -1.321 -4.107) 24.428 13.008 ( -24.044 -1.321 4.107) 24.428 13.618 ( 17.826 1.373 -2.424) 18.042 13.618 ( 17.826 1.373 2.424) 18.042 21.522 ( -6.905 -2.136 -1.525) 7.387 21.522 ( -6.905 -2.136 1.525) 7.387 21.897 ( -9.271 2.730 -8.134) 12.632 21.897 ( -9.271 2.730 8.134) 12.632 22.700 ( 2.773 -2.020 -0.554) 3.476 22.700 ( 2.773 -2.020 0.554) 3.476 23.189 ( 13.994 1.467 -9.877) 17.191 23.189 ( 13.994 1.467 9.877) 17.191 24.743 ( -7.220 -0.969 -0.514) 7.303 24.743 ( -7.220 -0.969 0.514) 7.303 24.949 ( 3.226 0.479 -1.233) 3.487 24.949 ( 3.226 0.479 1.233) 3.487 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -5.918 2.254 -3.107) 7.054 1.502 ( -5.918 2.254 3.107) 7.054 1.631 ( -4.223 -0.971 -0.042) 4.334 1.631 ( -4.223 -0.971 0.042) 4.334 1.754 ( 2.351 5.128 -2.757) 6.280 1.754 ( 2.351 5.128 2.757) 6.280 1.890 ( -2.616 4.378 -3.214) 6.028 1.890 ( -2.616 4.378 3.214) 6.028 1.980 ( 0.271 1.301 -1.267) 1.836 1.980 ( 0.271 1.301 1.267) 1.836 2.133 ( 3.082 -0.766 -1.971) 3.738 2.133 ( 3.082 -0.766 1.971) 3.738 2.264 ( 0.125 -2.874 -2.441) 3.773 2.264 ( 0.125 -2.874 2.441) 3.773 2.353 ( 1.325 -3.332 -2.109) 4.160 2.353 ( 1.325 -3.332 2.109) 4.160 2.433 ( -0.694 -2.440 -2.891) 3.846 2.433 ( -0.694 -2.440 2.891) 3.846 2.727 ( -1.507 2.763 -1.202) 3.369 2.727 ( -1.507 2.763 1.202) 3.369 2.854 ( 0.813 7.884 -2.491) 8.308 2.854 ( 0.813 7.884 2.491) 8.308 3.033 ( 2.483 5.363 -2.535) 6.431 3.033 ( 2.483 5.363 2.535) 6.431 3.191 ( -6.976 -1.452 -2.878) 7.685 3.191 ( -6.976 -1.452 2.878) 7.685 3.323 ( 0.416 -4.931 -1.936) 5.313 3.323 ( 0.416 -4.931 1.936) 5.313 3.718 ( -5.423 0.333 -2.684) 6.060 3.718 ( -5.423 0.333 2.684) 6.060 3.910 ( 2.354 -0.401 -6.989) 7.385 3.910 ( 2.354 -0.401 6.989) 7.385 4.614 ( -5.080 -0.555 -3.138) 5.997 4.614 ( -5.080 -0.555 3.138) 5.997 4.793 ( -2.897 -2.074 -4.159) 5.477 4.793 ( -2.897 -2.074 4.159) 5.477 5.137 ( -42.126 -1.584 -1.395) 42.179 5.137 ( -42.126 -1.584 1.395) 42.179 6.224 ( -11.964 -1.645 -2.422) 12.317 6.224 ( -11.964 -1.645 2.422) 12.317 6.518 ( -14.377 -0.365 -4.521) 15.075 6.518 ( -14.377 -0.365 4.521) 15.075 6.710 ( 6.406 -2.029 -2.421) 7.142 6.710 ( 6.406 -2.029 2.421) 7.142 6.970 ( 6.498 1.070 -9.170) 11.289 6.970 ( 6.498 1.070 9.170) 11.289 8.132 ( 32.672 -0.322 -1.304) 32.699 8.132 ( 32.672 -0.322 1.304) 32.699 9.053 ( -9.837 -0.974 -4.257) 10.763 9.053 ( -9.837 -0.974 4.257) 10.763 9.376 ( -3.418 1.277 -7.968) 8.764 9.376 ( -3.418 1.277 7.968) 8.764 9.559 ( 2.429 -1.911 -3.317) 4.533 9.559 ( 2.429 -1.911 3.317) 4.533 9.841 ( 0.543 2.589 -7.910) 8.341 9.841 ( 0.543 2.589 7.910) 8.341 12.617 ( -19.189 -2.629 -4.528) 19.891 12.617 ( -19.189 -2.629 4.528) 19.891 13.886 ( 12.317 1.365 -2.091) 12.568 13.886 ( 12.317 1.365 2.091) 12.568 21.239 ( -22.424 -2.014 -2.947) 22.707 21.239 ( -22.424 -2.014 2.947) 22.707 21.869 ( 2.781 -2.240 -2.181) 4.184 21.869 ( 2.781 -2.240 2.181) 4.184 22.776 ( 4.101 0.348 -0.790) 4.191 22.776 ( 4.101 0.348 0.790) 4.191 23.457 ( 16.750 2.894 -12.061) 20.842 23.457 ( 16.750 2.894 12.061) 20.842 24.609 ( -7.781 -1.629 -0.223) 7.953 24.609 ( -7.781 -1.629 0.223) 7.953 25.005 ( 3.245 0.262 -0.852) 3.365 25.005 ( 3.245 0.262 0.852) 3.365 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -7.020 5.296 -8.107) 11.960 1.334 ( -7.020 5.296 8.107) 11.960 1.552 ( -4.693 5.371 -3.173) 7.806 1.552 ( -4.693 5.371 3.173) 7.806 1.707 ( 0.781 6.881 -2.388) 7.326 1.707 ( 0.781 6.881 2.388) 7.326 1.852 ( 1.000 1.344 -1.217) 2.070 1.852 ( 1.000 1.344 1.217) 2.070 1.963 ( -0.648 2.329 -2.727) 3.644 1.963 ( -0.648 2.329 2.727) 3.644 2.144 ( -4.387 -1.498 -3.888) 6.050 2.144 ( -4.387 -1.498 3.888) 6.050 2.303 ( 0.850 -1.666 -1.734) 2.550 2.303 ( 0.850 -1.666 1.734) 2.550 2.382 ( -1.086 -2.601 -2.960) 4.087 2.382 ( -1.086 -2.601 2.960) 4.087 2.446 ( -1.331 -3.152 -3.145) 4.647 2.446 ( -1.331 -3.152 3.145) 4.647 2.638 ( -2.831 6.650 -3.017) 7.832 2.638 ( -2.831 6.650 3.017) 7.832 2.764 ( -2.869 7.774 -4.140) 9.263 2.764 ( -2.869 7.774 4.140) 9.263 2.977 ( -1.093 4.255 -1.452) 4.627 2.977 ( -1.093 4.255 1.452) 4.627 3.066 ( -6.658 -1.167 -1.625) 6.952 3.066 ( -6.658 -1.167 1.625) 6.952 3.397 ( 0.486 -4.845 -4.197) 6.428 3.397 ( 0.486 -4.845 4.197) 6.428 3.598 ( -7.012 -1.032 -3.656) 7.975 3.598 ( -7.012 -1.032 3.656) 7.975 3.964 ( 1.669 -1.279 -7.824) 8.102 3.964 ( 1.669 -1.279 7.824) 8.102 4.271 ( -35.253 -0.531 -1.541) 35.291 4.271 ( -35.253 -0.531 1.541) 35.291 4.553 ( -3.533 -0.593 -2.851) 4.578 4.553 ( -3.533 -0.593 2.851) 4.578 4.914 ( 1.465 -4.582 -3.840) 6.155 4.914 ( 1.465 -4.582 3.840) 6.155 6.013 ( -12.478 -1.924 -3.880) 13.208 6.013 ( -12.478 -1.924 3.880) 13.208 6.246 ( -15.118 -1.908 -2.252) 15.403 6.246 ( -15.118 -1.908 2.252) 15.403 6.886 ( 8.935 -2.786 -1.034) 9.416 6.886 ( 8.935 -2.786 1.034) 9.416 7.105 ( 8.627 0.323 -5.518) 10.246 7.105 ( 8.627 0.323 5.518) 10.246 8.610 ( 15.899 -0.521 -3.885) 16.375 8.610 ( 15.899 -0.521 3.885) 16.375 8.911 ( -6.012 -3.917 -3.907) 8.170 8.911 ( -6.012 -3.917 3.907) 8.170 9.277 ( -5.841 0.838 -6.180) 8.545 9.277 ( -5.841 0.838 6.180) 8.545 9.630 ( 2.838 -0.068 -3.710) 4.672 9.630 ( 2.838 -0.068 3.710) 4.672 9.804 ( 0.912 4.161 -3.834) 5.731 9.804 ( 0.912 4.161 3.834) 5.731 12.371 ( -9.833 -2.533 -2.781) 10.528 12.371 ( -9.833 -2.533 2.781) 10.528 14.044 ( 5.825 0.687 -0.974) 5.945 14.044 ( 5.825 0.687 0.974) 5.945 20.799 ( -26.987 -3.089 -5.396) 27.694 20.799 ( -26.987 -3.089 5.396) 27.694 21.963 ( 2.547 -6.087 -4.220) 7.833 21.963 ( 2.547 -6.087 4.220) 7.833 22.830 ( 3.400 3.449 -1.530) 5.079 22.830 ( 3.400 3.449 1.530) 5.079 23.730 ( 14.816 3.051 -13.587) 20.333 23.730 ( 14.816 3.051 13.587) 20.333 24.507 ( -4.298 -1.114 -0.587) 4.478 24.507 ( -4.298 -1.114 0.587) 4.478 25.076 ( 4.594 -0.858 -1.949) 5.064 25.076 ( 4.594 -0.858 1.949) 5.064 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -4.289 8.770 -13.981) 17.052 1.164 ( -4.289 8.770 13.981) 17.052 1.314 ( -12.082 11.988 -7.964) 18.791 1.314 ( -12.082 11.988 7.964) 18.791 1.686 ( 2.177 6.051 -2.640) 6.952 1.686 ( 2.177 6.051 2.640) 6.952 1.832 ( -2.918 3.477 -2.615) 5.238 1.832 ( -2.918 3.477 2.615) 5.238 1.906 ( -1.749 2.841 -5.920) 6.795 1.906 ( -1.749 2.841 5.920) 6.795 2.025 ( -8.723 -4.822 -4.869) 11.093 2.025 ( -8.723 -4.822 4.869) 11.093 2.229 ( -3.774 9.964 -8.791) 13.813 2.229 ( -3.774 9.964 8.791) 13.813 2.394 ( 0.494 -1.717 -0.836) 1.972 2.394 ( 0.494 -1.717 0.836) 1.972 2.450 ( 1.960 0.239 -1.614) 2.550 2.450 ( 1.960 0.239 1.614) 2.550 2.562 ( -1.987 1.691 -4.481) 5.185 2.562 ( -1.987 1.691 4.481) 5.185 2.670 ( -1.157 -0.102 -4.762) 4.901 2.670 ( -1.157 -0.102 4.762) 4.901 2.864 ( -8.099 -0.890 -3.337) 8.804 2.864 ( -8.099 -0.890 3.337) 8.804 3.075 ( 5.766 0.423 -3.537) 6.778 3.075 ( 5.766 0.423 3.537) 6.778 3.375 ( -6.529 -1.801 -3.806) 7.769 3.375 ( -6.529 -1.801 3.806) 7.769 3.521 ( -2.067 -1.367 -2.361) 3.423 3.521 ( -2.067 -1.367 2.361) 3.423 3.698 ( -17.873 0.626 -6.413) 18.999 3.698 ( -17.873 0.626 6.413) 18.999 4.118 ( 4.128 -4.292 -6.811) 9.046 4.118 ( 4.128 -4.292 6.811) 9.046 4.525 ( -0.455 -0.782 -1.794) 2.009 4.525 ( -0.455 -0.782 1.794) 2.009 5.019 ( 4.279 -5.674 -6.173) 9.414 5.019 ( 4.279 -5.674 6.173) 9.414 5.809 ( -11.032 -1.427 -10.930) 15.595 5.809 ( -11.032 -1.427 10.930) 15.595 6.016 ( -10.607 -1.847 -1.249) 10.839 6.016 ( -10.607 -1.847 1.249) 10.839 7.070 ( 7.093 -3.235 -2.128) 8.081 7.070 ( 7.093 -3.235 2.128) 8.081 7.261 ( 7.274 -0.524 -6.594) 9.832 7.261 ( 7.274 -0.524 6.594) 9.832 8.663 ( -5.248 -1.963 -0.764) 5.655 8.663 ( -5.248 -1.963 0.764) 5.655 8.980 ( 4.668 -4.383 -6.401) 9.055 8.980 ( 4.668 -4.383 6.401) 9.055 9.159 ( -5.810 0.342 -1.439) 5.995 9.159 ( -5.810 0.342 1.439) 5.995 9.622 ( -1.697 0.782 -3.894) 4.319 9.622 ( -1.697 0.782 3.894) 4.319 9.856 ( 7.246 4.724 -2.681) 9.056 9.856 ( 7.246 4.724 2.681) 9.056 12.287 ( -2.014 -1.221 -1.416) 2.748 12.287 ( -2.014 -1.221 1.416) 2.748 14.098 ( 0.929 0.257 -0.694) 1.188 14.098 ( 0.929 0.257 0.694) 1.188 20.342 ( -22.932 -2.121 -3.340) 23.271 20.342 ( -22.932 -2.121 3.340) 23.271 22.068 ( 1.163 -8.941 -7.508) 11.733 22.068 ( 1.163 -8.941 7.508) 11.733 22.834 ( 1.613 5.696 -1.949) 6.232 22.834 ( 1.613 5.696 1.949) 6.232 23.911 ( 7.110 2.554 -13.167) 15.181 23.911 ( 7.110 2.554 13.167) 15.181 24.465 ( -0.710 1.511 -3.922) 4.262 24.465 ( -0.710 1.511 3.922) 4.262 25.203 ( 6.260 -4.435 -3.644) 8.494 25.203 ( 6.260 -4.435 3.644) 8.494 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 11.020 -13.365) 17.322 1.015 ( 0.000 11.020 13.365) 17.322 1.029 ( 0.000 12.976 -15.590) 20.284 1.029 ( 0.000 12.976 15.590) 20.284 1.659 ( 0.000 8.160 -4.286) 9.218 1.659 ( 0.000 8.160 4.286) 9.218 1.702 ( 0.000 7.435 -2.322) 7.789 1.702 ( 0.000 7.435 2.322) 7.789 1.878 ( 0.000 3.472 -8.735) 9.399 1.878 ( 0.000 3.472 8.735) 9.399 1.984 ( -0.000 -5.468 -5.696) 7.896 1.984 ( -0.000 -5.468 5.696) 7.896 2.099 ( 0.000 9.392 -12.307) 15.481 2.099 ( 0.000 9.392 12.307) 15.481 2.409 ( 0.000 0.053 -5.097) 5.097 2.409 ( 0.000 0.053 5.097) 5.097 2.493 ( -0.000 -0.684 -3.742) 3.804 2.493 ( -0.000 -0.684 3.742) 3.804 2.520 ( -0.000 -0.967 -1.957) 2.183 2.520 ( -0.000 -0.967 1.957) 2.183 2.704 ( -0.000 -4.885 -4.042) 6.340 2.704 ( -0.000 -4.885 4.042) 6.340 2.774 ( 0.000 0.089 -4.193) 4.194 2.774 ( 0.000 0.089 4.193) 4.194 3.177 ( -0.000 -1.013 -6.441) 6.520 3.177 ( -0.000 -1.013 6.441) 6.520 3.267 ( 0.000 0.527 -2.292) 2.351 3.267 ( 0.000 0.527 2.292) 2.351 3.519 ( -0.000 -0.916 -4.562) 4.653 3.519 ( -0.000 -0.916 4.562) 4.653 3.527 ( 0.000 0.898 -9.467) 9.510 3.527 ( 0.000 0.898 9.467) 9.510 4.212 ( -0.000 -5.238 -6.832) 8.609 4.212 ( -0.000 -5.238 6.832) 8.609 4.541 ( -0.000 -2.403 -0.908) 2.569 4.541 ( -0.000 -2.403 0.908) 2.569 5.134 ( -0.000 -4.944 -9.438) 10.654 5.134 ( -0.000 -4.944 9.438) 10.654 5.679 ( 0.000 0.753 -15.430) 15.448 5.679 ( 0.000 0.753 15.430) 15.448 5.929 ( -0.000 -1.712 -4.029) 4.378 5.929 ( -0.000 -1.712 4.029) 4.378 7.170 ( -0.000 -2.066 -3.056) 3.689 7.170 ( -0.000 -2.066 3.056) 3.689 7.348 ( -0.000 -2.152 -9.281) 9.527 7.348 ( -0.000 -2.152 9.281) 9.527 8.620 ( -0.000 -2.337 -0.667) 2.430 8.620 ( -0.000 -2.337 0.667) 2.430 9.070 ( 0.000 0.514 -7.200) 7.219 9.070 ( 0.000 0.514 7.200) 7.219 9.090 ( -0.000 -4.891 -8.360) 9.685 9.090 ( -0.000 -4.891 8.360) 9.685 9.597 ( 0.000 0.944 -3.873) 3.987 9.597 ( 0.000 0.944 3.873) 3.987 9.892 ( 0.000 4.749 -3.765) 6.060 9.892 ( 0.000 4.749 3.765) 6.060 12.283 ( -0.000 -0.685 -2.583) 2.673 12.283 ( -0.000 -0.685 2.583) 2.673 14.097 ( 0.000 0.308 -1.243) 1.281 14.097 ( 0.000 0.308 1.243) 1.281 20.107 ( 0.000 0.023 -0.079) 0.082 20.107 ( 0.000 0.023 0.079) 0.082 22.172 ( -0.000 -11.217 -8.613) 14.142 22.172 ( -0.000 -11.217 8.613) 14.142 22.791 ( 0.000 5.986 -2.164) 6.365 22.791 ( 0.000 5.986 2.164) 6.365 23.952 ( 0.000 2.292 -12.325) 12.537 23.952 ( 0.000 2.292 12.325) 12.537 24.430 ( 0.000 4.500 -5.529) 7.129 24.430 ( 0.000 4.500 5.529) 7.129 25.339 ( -0.000 -7.884 -3.426) 8.597 25.339 ( -0.000 -7.884 3.426) 8.597 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -4.192 -0.000 -2.591) 4.928 1.525 ( -4.192 -0.000 2.591) 4.928 1.621 ( -4.294 -0.000 -0.386) 4.311 1.621 ( -4.294 -0.000 0.386) 4.311 1.800 ( 3.003 0.000 -2.735) 4.062 1.800 ( 3.003 0.000 2.735) 4.062 1.938 ( -0.736 -0.000 -3.556) 3.632 1.938 ( -0.736 -0.000 3.556) 3.632 2.018 ( -0.320 -0.000 -1.239) 1.280 2.018 ( -0.320 -0.000 1.239) 1.280 2.127 ( 3.199 0.000 -3.411) 4.677 2.127 ( 3.199 0.000 3.411) 4.677 2.183 ( -2.196 -0.000 -6.443) 6.807 2.183 ( -2.196 -0.000 6.443) 6.807 2.343 ( 1.204 0.000 -6.168) 6.284 2.343 ( 1.204 0.000 6.168) 6.284 2.412 ( 0.181 0.000 -1.110) 1.124 2.412 ( 0.181 0.000 1.110) 1.124 2.753 ( -0.478 -0.000 -0.397) 0.621 2.753 ( -0.478 -0.000 0.397) 0.621 2.944 ( 0.406 0.000 -0.305) 0.508 2.944 ( 0.406 0.000 0.305) 0.508 3.085 ( 7.139 0.000 -0.481) 7.155 3.085 ( 7.139 0.000 0.481) 7.155 3.174 ( -7.228 -0.000 -3.795) 8.163 3.174 ( -7.228 -0.000 3.795) 8.163 3.268 ( -2.953 -0.000 -0.129) 2.955 3.268 ( -2.953 -0.000 0.129) 2.955 3.722 ( -6.154 -0.000 -2.137) 6.515 3.722 ( -6.154 -0.000 2.137) 6.515 3.905 ( 2.455 0.000 -6.093) 6.569 3.905 ( 2.455 0.000 6.093) 6.569 4.608 ( -4.904 -0.000 -2.624) 5.562 4.608 ( -4.904 -0.000 2.624) 5.562 4.770 ( -3.110 -0.000 -3.931) 5.013 4.770 ( -3.110 -0.000 3.932) 5.013 5.122 ( -42.609 -0.000 -1.319) 42.629 5.122 ( -42.609 -0.000 1.319) 42.629 6.210 ( -11.632 -0.000 -1.758) 11.764 6.210 ( -11.632 -0.000 1.758) 11.764 6.514 ( -15.908 -0.000 -4.988) 16.672 6.514 ( -15.908 -0.000 4.988) 16.672 6.690 ( 6.758 0.000 -2.122) 7.084 6.690 ( 6.758 0.000 2.122) 7.084 6.981 ( 6.062 0.000 -9.119) 10.950 6.981 ( 6.062 0.000 9.119) 10.950 8.129 ( 32.575 0.000 -1.501) 32.610 8.129 ( 32.575 0.000 1.501) 32.610 9.045 ( -10.832 -0.000 -4.530) 11.741 9.045 ( -10.832 -0.000 4.530) 11.741 9.392 ( -4.599 -0.000 -10.833) 11.769 9.392 ( -4.599 -0.000 10.833) 11.769 9.536 ( 4.384 0.000 -5.674) 7.170 9.536 ( 4.384 0.000 5.674) 7.170 9.865 ( 0.878 0.000 -8.619) 8.663 9.865 ( 0.878 0.000 8.619) 8.663 12.593 ( -18.892 -0.000 -4.188) 19.351 12.593 ( -18.892 -0.000 4.188) 19.351 13.900 ( 11.775 0.000 -1.866) 11.922 13.900 ( 11.775 0.000 1.866) 11.922 21.218 ( -22.392 -0.000 -1.292) 22.429 21.218 ( -22.392 -0.000 1.292) 22.429 21.851 ( 1.107 0.000 -3.738) 3.899 21.851 ( 1.107 0.000 3.738) 3.899 22.779 ( 5.661 0.000 -0.937) 5.738 22.779 ( 5.661 0.000 0.937) 5.738 23.484 ( 16.399 0.000 -12.906) 20.868 23.484 ( 16.399 0.000 12.906) 20.868 24.592 ( -7.637 -0.000 -0.417) 7.648 24.592 ( -7.637 -0.000 0.417) 7.648 25.007 ( 2.922 0.000 -0.237) 2.931 25.007 ( 2.922 0.000 0.237) 2.931 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -5.523 2.327 -3.922) 7.162 1.410 ( -5.523 2.327 3.922) 7.162 1.592 ( -0.029 0.479 -0.752) 0.892 1.592 ( -0.029 0.479 0.752) 0.892 1.835 ( 1.044 3.816 -3.164) 5.065 1.835 ( 1.044 3.816 3.164) 5.065 1.892 ( -0.984 2.750 -2.478) 3.830 1.892 ( -0.984 2.750 2.478) 3.830 1.999 ( -0.616 1.189 -3.768) 3.999 1.999 ( -0.616 1.189 3.768) 3.999 2.128 ( -2.963 0.301 -3.187) 4.362 2.128 ( -2.963 0.301 3.187) 4.362 2.230 ( 0.566 -5.188 -5.874) 7.857 2.230 ( 0.566 -5.188 5.874) 7.857 2.326 ( -1.963 -1.381 -7.223) 7.612 2.326 ( -1.963 -1.381 7.223) 7.612 2.420 ( 0.448 -0.276 -0.532) 0.748 2.420 ( 0.448 -0.276 0.532) 0.748 2.724 ( -2.170 2.292 -1.522) 3.504 2.724 ( -2.170 2.292 1.522) 3.504 2.911 ( -0.997 5.771 -1.952) 6.173 2.911 ( -0.997 5.771 1.952) 6.173 3.008 ( -10.165 -0.460 -1.625) 10.304 3.008 ( -10.165 -0.460 1.625) 10.304 3.101 ( -2.239 3.009 -3.305) 4.999 3.101 ( -2.239 3.009 3.305) 4.999 3.308 ( 3.460 -3.433 -2.435) 5.449 3.308 ( 3.460 -3.433 2.435) 5.449 3.576 ( -8.809 -1.050 -3.994) 9.729 3.576 ( -8.809 -1.050 3.994) 9.729 3.953 ( 1.797 -0.143 -7.168) 7.392 3.953 ( 1.797 -0.143 7.168) 7.392 4.261 ( -35.740 -0.400 -1.553) 35.776 4.261 ( -35.740 -0.400 1.553) 35.776 4.545 ( -3.065 -0.207 -1.974) 3.651 4.545 ( -3.065 -0.207 1.974) 3.651 4.835 ( -0.559 -2.799 -2.628) 3.879 4.835 ( -0.559 -2.799 2.628) 3.879 5.994 ( -11.788 -0.333 -5.793) 13.139 5.994 ( -11.788 -0.333 5.793) 13.139 6.217 ( -15.434 -0.949 -1.887) 15.578 6.217 ( -15.434 -0.949 1.887) 15.578 6.844 ( 8.249 -1.367 -0.651) 8.387 6.844 ( 8.249 -1.367 0.651) 8.387 7.114 ( 8.327 0.315 -3.620) 9.086 7.114 ( 8.327 0.315 3.620) 9.086 8.605 ( 16.644 -0.093 -4.489) 17.239 8.605 ( 16.644 -0.093 4.489) 17.239 8.858 ( -8.369 -1.583 -2.899) 8.997 8.858 ( -8.369 -1.583 2.899) 8.997 9.289 ( -5.967 0.400 -6.688) 8.972 9.289 ( -5.967 0.400 6.688) 8.972 9.626 ( 3.510 -0.209 -2.990) 4.616 9.626 ( 3.510 -0.209 2.990) 4.616 9.858 ( 1.184 1.570 -2.879) 3.487 9.858 ( 1.184 1.570 2.879) 3.487 12.342 ( -8.415 -0.736 -1.649) 8.606 12.342 ( -8.415 -0.736 1.649) 8.606 14.054 ( 5.253 0.305 -0.814) 5.325 14.054 ( 5.253 0.305 0.814) 5.325 20.759 ( -26.621 -1.105 -2.989) 26.811 20.759 ( -26.621 -1.105 2.989) 26.811 21.891 ( 1.791 -1.855 -1.514) 2.990 21.891 ( 1.791 -1.855 1.514) 2.990 22.878 ( 5.059 1.397 -1.878) 5.574 22.878 ( 5.059 1.397 1.878) 5.574 23.768 ( 14.010 1.030 -15.446) 20.879 23.768 ( 14.010 1.030 15.446) 20.879 24.488 ( -3.487 -0.653 -1.471) 3.841 24.488 ( -3.487 -0.653 1.471) 3.841 25.064 ( 3.187 -0.362 -1.484) 3.534 25.064 ( 3.187 -0.362 1.484) 3.534 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -2.119 5.589 -10.456) 12.044 1.301 ( -2.119 5.589 10.456) 12.044 1.514 ( -8.244 8.929 -6.007) 13.557 1.514 ( -8.244 8.929 6.007) 13.557 1.771 ( -0.642 1.693 -2.863) 3.387 1.771 ( -0.642 1.693 2.863) 3.387 1.877 ( -1.428 0.925 -2.611) 3.116 1.877 ( -1.428 0.925 2.611) 3.116 1.937 ( -7.166 -1.114 -4.719) 8.653 1.937 ( -7.166 -1.114 4.719) 8.653 2.005 ( -1.599 5.703 -5.104) 7.819 2.005 ( -1.599 5.703 5.104) 7.819 2.275 ( -0.073 -4.128 -1.890) 4.541 2.275 ( -0.073 -4.128 1.890) 4.541 2.344 ( 0.507 -2.737 -4.788) 5.538 2.344 ( 0.507 -2.737 4.788) 5.538 2.448 ( 2.079 -0.592 -0.695) 2.271 2.448 ( 2.079 -0.592 0.695) 2.271 2.615 ( -5.890 2.856 -2.702) 7.082 2.615 ( -5.890 2.856 2.702) 7.082 2.791 ( -2.185 11.396 -4.447) 12.426 2.791 ( -2.185 11.396 4.447) 12.426 2.845 ( -7.252 -0.913 -2.180) 7.628 2.845 ( -7.252 -0.913 2.180) 7.628 3.087 ( 2.807 -0.287 -1.696) 3.292 3.087 ( 2.807 -0.287 1.696) 3.292 3.339 ( -3.686 -1.406 -3.921) 5.562 3.339 ( -3.686 -1.406 3.921) 5.562 3.485 ( -1.817 -2.338 -1.029) 3.135 3.485 ( -1.817 -2.338 1.029) 3.135 3.709 ( -17.382 0.530 -7.048) 18.764 3.709 ( -17.382 0.530 7.048) 18.764 4.057 ( 2.835 -2.042 -6.457) 7.342 4.057 ( 2.835 -2.042 6.457) 7.342 4.517 ( -0.626 -0.197 -1.247) 1.409 4.517 ( -0.626 -0.197 1.247) 1.409 4.891 ( 1.422 -6.747 -3.411) 7.693 4.891 ( 1.422 -6.747 3.411) 7.693 5.795 ( -9.276 -0.177 -12.480) 15.551 5.795 ( -9.276 -0.177 12.480) 15.551 5.984 ( -10.197 -1.421 -1.225) 10.368 5.984 ( -10.197 -1.421 1.225) 10.368 7.005 ( 6.272 -3.084 -2.022) 7.276 7.005 ( 6.272 -3.084 2.022) 7.276 7.264 ( 7.356 0.360 -4.483) 8.622 7.264 ( 7.356 0.360 4.483) 8.622 8.633 ( -6.507 -1.153 -0.806) 6.658 8.633 ( -6.507 -1.153 0.806) 6.658 8.908 ( 5.757 -2.995 -6.258) 9.015 8.908 ( 5.757 -2.995 6.258) 9.015 9.167 ( -6.548 0.380 -1.501) 6.728 9.167 ( -6.548 0.380 1.501) 6.728 9.632 ( -1.419 0.264 -3.166) 3.479 9.632 ( -1.419 0.264 3.166) 3.479 9.930 ( 6.897 2.912 -3.481) 8.256 9.930 ( 6.897 2.912 3.481) 8.256 12.274 ( -0.580 -0.290 -2.612) 2.691 12.274 ( -0.580 -0.290 2.612) 2.691 14.102 ( 0.831 0.220 -0.638) 1.070 14.102 ( 0.831 0.220 0.638) 1.070 20.313 ( -20.548 -1.012 -1.663) 20.640 20.313 ( -20.548 -1.012 1.663) 20.640 21.946 ( 0.981 -4.288 -5.075) 6.717 21.946 ( 0.981 -4.288 5.075) 6.717 22.926 ( 2.660 3.811 -2.605) 5.328 22.926 ( 2.660 3.811 2.605) 5.328 23.951 ( 6.695 1.653 -15.170) 16.664 23.951 ( 6.695 1.653 15.170) 16.664 24.474 ( 0.749 -0.216 -3.981) 4.056 24.474 ( 0.749 -0.216 3.981) 4.056 25.137 ( 3.218 -2.536 -3.426) 5.341 25.137 ( 3.218 -2.536 3.426) 5.341 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 11.844 -11.120) 16.246 1.232 ( 0.000 11.844 11.120) 16.246 1.240 ( 0.000 9.039 -13.021) 15.851 1.240 ( 0.000 9.039 13.021) 15.851 1.791 ( 0.000 5.154 -2.643) 5.792 1.791 ( 0.000 5.154 2.643) 5.792 1.814 ( 0.000 0.298 -1.928) 1.951 1.814 ( 0.000 0.298 1.928) 1.951 1.882 ( -0.000 -1.570 -3.940) 4.242 1.882 ( -0.000 -1.570 3.940) 4.242 1.939 ( 0.000 5.317 -7.783) 9.425 1.939 ( 0.000 5.317 7.783) 9.425 2.278 ( 0.000 4.493 -4.982) 6.708 2.278 ( 0.000 4.493 4.982) 6.708 2.374 ( -0.000 -3.183 -2.751) 4.207 2.374 ( -0.000 -3.183 2.751) 4.207 2.500 ( -0.000 -1.063 -3.149) 3.324 2.500 ( -0.000 -1.063 3.149) 3.324 2.517 ( 0.000 1.362 -3.287) 3.558 2.517 ( 0.000 1.362 3.287) 3.558 2.680 ( 0.000 6.172 -4.997) 7.941 2.680 ( 0.000 6.172 4.997) 7.941 2.776 ( 0.000 0.067 -2.675) 2.676 2.776 ( 0.000 0.067 2.675) 2.676 3.154 ( -0.000 -1.930 -4.036) 4.474 3.154 ( -0.000 -1.930 4.036) 4.474 3.277 ( 0.000 0.423 -2.148) 2.189 3.277 ( 0.000 0.423 2.148) 2.189 3.495 ( -0.000 -1.504 -3.506) 3.815 3.495 ( -0.000 -1.504 3.506) 3.815 3.544 ( 0.000 0.830 -10.399) 10.432 3.544 ( 0.000 0.830 10.399) 10.432 4.121 ( -0.000 -3.957 -6.224) 7.375 4.121 ( -0.000 -3.957 6.224) 7.375 4.517 ( -0.000 -0.584 -1.007) 1.164 4.517 ( -0.000 -0.584 1.007) 1.164 4.990 ( -0.000 -9.208 -5.146) 10.548 4.990 ( -0.000 -9.208 5.146) 10.548 5.693 ( 0.000 0.705 -15.842) 15.858 5.693 ( 0.000 0.705 15.842) 15.858 5.897 ( -0.000 -1.535 -3.395) 3.726 5.897 ( -0.000 -1.535 3.395) 3.726 7.103 ( -0.000 -4.187 -3.212) 5.277 7.103 ( -0.000 -4.187 3.212) 5.277 7.337 ( 0.000 0.310 -7.870) 7.876 7.337 ( 0.000 0.310 7.870) 7.876 8.577 ( -0.000 -2.108 -0.493) 2.165 8.577 ( -0.000 -2.108 0.493) 2.165 9.006 ( -0.000 -3.894 -7.538) 8.485 9.006 ( -0.000 -3.894 7.538) 8.485 9.079 ( 0.000 0.454 -7.341) 7.355 9.079 ( 0.000 0.454 7.341) 7.355 9.612 ( 0.000 0.600 -3.517) 3.568 9.612 ( 0.000 0.600 3.517) 3.568 9.974 ( 0.000 3.795 -4.784) 6.106 9.974 ( 0.000 3.795 4.784) 6.106 12.278 ( 0.000 0.036 -4.456) 4.456 12.278 ( 0.000 0.036 4.456) 4.456 14.103 ( 0.000 0.276 -1.259) 1.289 14.103 ( 0.000 0.276 1.259) 1.289 20.107 ( 0.000 0.020 -0.088) 0.090 20.107 ( 0.000 0.020 0.088) 0.090 22.006 ( -0.000 -6.636 -7.062) 9.690 22.006 ( -0.000 -6.636 7.062) 9.690 22.905 ( 0.000 5.624 -2.611) 6.200 22.905 ( 0.000 5.624 2.611) 6.200 23.992 ( 0.000 2.034 -13.368) 13.522 23.992 ( 0.000 2.034 13.368) 13.522 24.482 ( 0.000 1.215 -6.377) 6.492 24.482 ( 0.000 1.215 6.377) 6.492 25.213 ( -0.000 -5.435 -4.168) 6.849 25.213 ( -0.000 -5.435 4.168) 6.849 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -1.437 -0.000 -8.298) 8.421 1.355 ( -1.437 -0.000 8.298) 8.421 1.620 ( 1.891 0.000 -1.345) 2.320 1.620 ( 1.891 0.000 1.345) 2.320 1.750 ( -16.810 -0.000 -7.501) 18.408 1.750 ( -16.810 -0.000 7.501) 18.408 1.884 ( -2.348 -0.000 -4.863) 5.400 1.884 ( -2.348 -0.000 4.863) 5.400 1.941 ( -0.129 -0.000 -2.740) 2.743 1.941 ( -0.129 -0.000 2.740) 2.743 2.105 ( -0.594 -0.000 -5.116) 5.150 2.105 ( -0.594 -0.000 5.116) 5.150 2.188 ( 0.437 0.000 -6.178) 6.194 2.188 ( 0.437 0.000 6.178) 6.194 2.314 ( 1.000 0.000 -2.798) 2.971 2.314 ( 1.000 0.000 2.798) 2.971 2.442 ( 1.950 0.000 -0.406) 1.992 2.442 ( 1.950 0.000 0.406) 1.992 2.643 ( -7.551 -0.000 -2.595) 7.984 2.643 ( -7.551 -0.000 2.595) 7.984 2.835 ( -6.463 -0.000 -1.567) 6.650 2.835 ( -6.463 -0.000 1.567) 6.650 2.952 ( 1.097 0.000 -1.678) 2.005 2.952 ( 1.097 0.000 1.678) 2.005 3.049 ( -2.122 -0.000 -2.453) 3.243 3.049 ( -2.122 -0.000 2.453) 3.243 3.334 ( -2.671 -0.000 -2.593) 3.722 3.334 ( -2.671 -0.000 2.593) 3.722 3.453 ( -0.693 -0.000 -0.573) 0.899 3.453 ( -0.693 -0.000 0.573) 0.899 3.715 ( -17.332 -0.000 -7.343) 18.823 3.715 ( -17.332 -0.000 7.343) 18.823 4.040 ( 2.522 0.000 -6.316) 6.801 4.040 ( 2.522 0.000 6.316) 6.801 4.515 ( -0.597 -0.000 -0.663) 0.892 4.515 ( -0.597 -0.000 0.663) 0.892 4.819 ( 0.228 0.000 -2.247) 2.258 4.819 ( 0.228 0.000 2.247) 2.258 5.795 ( -8.868 -0.000 -13.231) 15.928 5.795 ( -8.868 -0.000 13.231) 15.928 5.969 ( -9.915 -0.000 -1.342) 10.005 5.969 ( -9.915 -0.000 1.342) 10.005 6.974 ( 5.982 0.000 -2.155) 6.358 6.974 ( 5.982 0.000 2.155) 6.358 7.268 ( 7.317 0.000 -4.015) 8.346 7.268 ( 7.317 0.000 4.015) 8.346 8.622 ( -7.216 -0.000 -0.753) 7.256 8.622 ( -7.216 -0.000 0.753) 7.256 8.879 ( 6.298 0.000 -6.017) 8.711 8.879 ( 6.298 0.000 6.017) 8.711 9.171 ( -6.761 -0.000 -1.490) 6.923 9.171 ( -6.761 -0.000 1.490) 6.923 9.634 ( -1.270 -0.000 -2.770) 3.048 9.634 ( -1.270 -0.000 2.770) 3.048 9.958 ( 6.794 0.000 -3.788) 7.778 9.958 ( 6.794 0.000 3.788) 7.778 12.272 ( -0.146 -0.000 -3.216) 3.219 12.272 ( -0.146 -0.000 3.216) 3.219 14.105 ( 0.771 0.000 -0.610) 0.984 14.105 ( 0.771 0.000 0.610) 0.984 20.304 ( -19.745 -0.000 -1.152) 19.778 20.304 ( -19.745 -0.000 1.152) 19.778 21.906 ( 0.863 0.000 -3.911) 4.005 21.906 ( 0.863 0.000 3.911) 4.005 22.963 ( 3.058 0.000 -2.789) 4.139 22.963 ( 3.058 0.000 2.789) 4.139 23.968 ( 6.734 0.000 -16.437) 17.763 23.968 ( 6.734 0.000 16.437) 17.763 24.469 ( 1.133 0.000 -4.459) 4.601 24.469 ( 1.133 0.000 4.459) 4.601 25.112 ( 2.189 0.000 -3.160) 3.845 25.112 ( 2.189 0.000 3.160) 3.845 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 2.942 -9.782) 10.215 1.352 ( 0.000 2.942 9.782) 10.215 1.439 ( 0.000 9.530 -9.830) 13.692 1.439 ( 0.000 9.530 9.830) 13.692 1.691 ( -0.000 -7.941 -5.036) 9.403 1.691 ( -0.000 -7.941 5.036) 9.403 1.853 ( 0.000 1.819 -3.331) 3.796 1.853 ( 0.000 1.819 3.331) 3.796 1.939 ( 0.000 2.477 -2.511) 3.527 1.939 ( 0.000 2.477 2.511) 3.527 2.065 ( 0.000 6.548 -7.422) 9.898 2.065 ( 0.000 6.548 7.422) 9.898 2.234 ( -0.000 -5.323 -2.056) 5.707 2.234 ( -0.000 -5.323 2.056) 5.707 2.334 ( -0.000 -1.462 -3.638) 3.921 2.334 ( -0.000 -1.462 3.638) 3.921 2.484 ( -0.000 -0.515 -4.213) 4.244 2.484 ( -0.000 -0.515 4.213) 4.244 2.530 ( 0.000 0.618 -2.775) 2.842 2.530 ( 0.000 0.618 2.775) 2.842 2.777 ( 0.000 0.023 -1.308) 1.308 2.777 ( 0.000 0.023 1.308) 1.308 2.887 ( 0.000 11.493 -4.240) 12.250 2.887 ( 0.000 11.493 4.240) 12.250 3.086 ( -0.000 -5.606 -2.378) 6.090 3.086 ( -0.000 -5.606 2.378) 6.090 3.282 ( 0.000 0.157 -2.079) 2.085 3.282 ( 0.000 0.157 2.079) 2.085 3.473 ( -0.000 -0.705 -1.282) 1.463 3.473 ( -0.000 -0.705 1.282) 1.463 3.555 ( 0.000 0.338 -10.948) 10.953 3.555 ( 0.000 0.338 10.948) 10.953 4.075 ( -0.000 -1.126 -6.052) 6.156 4.075 ( -0.000 -1.126 6.052) 6.156 4.512 ( -0.000 -0.071 -0.500) 0.505 4.512 ( -0.000 -0.071 0.500) 0.505 4.846 ( -0.000 -4.839 -2.557) 5.474 4.846 ( -0.000 -4.839 2.557) 5.474 5.703 ( 0.000 0.293 -16.065) 16.068 5.703 ( 0.000 0.293 16.065) 16.068 5.876 ( -0.000 -0.617 -3.045) 3.106 5.876 ( -0.000 -0.617 3.045) 3.106 7.042 ( -0.000 -1.875 -3.638) 4.093 7.042 ( -0.000 -1.875 3.638) 4.093 7.343 ( 0.000 0.181 -7.825) 7.827 7.343 ( 0.000 0.181 7.825) 7.827 8.549 ( -0.000 -0.847 -0.331) 0.909 8.549 ( -0.000 -0.847 0.331) 0.909 8.954 ( -0.000 -1.487 -6.828) 6.988 8.954 ( -0.000 -1.487 6.828) 6.988 9.086 ( 0.000 0.179 -7.434) 7.436 9.086 ( 0.000 0.179 7.434) 7.436 9.619 ( 0.000 0.163 -2.997) 3.002 9.619 ( 0.000 0.163 2.997) 3.002 10.025 ( 0.000 1.480 -5.362) 5.563 10.025 ( 0.000 1.480 5.362) 5.563 12.280 ( 0.000 0.089 -5.471) 5.472 12.280 ( 0.000 0.089 5.471) 5.472 14.107 ( 0.000 0.110 -1.269) 1.273 14.107 ( 0.000 0.110 1.269) 1.273 20.107 ( 0.000 0.008 -0.091) 0.091 20.107 ( 0.000 0.008 0.091) 0.091 21.924 ( -0.000 -2.175 -5.160) 5.600 21.924 ( -0.000 -2.175 5.160) 5.600 22.982 ( 0.000 2.229 -3.124) 3.838 22.982 ( 0.000 2.229 3.124) 3.838 24.022 ( 0.000 0.989 -15.329) 15.361 24.022 ( 0.000 0.989 15.329) 15.361 24.489 ( -0.000 -0.061 -6.477) 6.478 24.489 ( -0.000 -0.061 6.477) 6.478 25.143 ( -0.000 -1.926 -4.018) 4.456 25.143 ( -0.000 -1.926 4.018) 4.456 =================== 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 3/23328 10.0 200.208 194.863 190.337 0.000 0.000 0.000 3/23328 20.0 31.779 23.900 22.756 0.000 0.000 0.000 3/23328 30.0 13.534 9.627 9.208 0.000 0.000 0.000 3/23328 40.0 8.404 5.745 5.528 0.000 0.000 0.000 3/23328 50.0 6.247 4.057 3.928 0.000 0.000 0.000 3/23328 60.0 5.124 3.133 3.054 0.000 0.000 0.000 3/23328 70.0 4.448 2.556 2.509 0.000 0.000 0.000 3/23328 80.0 3.992 2.163 2.138 0.000 0.000 0.000 3/23328 90.0 3.657 1.879 1.869 0.000 0.000 0.000 3/23328 100.0 3.394 1.664 1.665 0.000 0.000 0.000 3/23328 110.0 3.179 1.495 1.505 0.000 0.000 0.000 3/23328 120.0 2.999 1.361 1.376 0.000 0.000 0.000 3/23328 130.0 2.845 1.250 1.269 0.000 0.000 0.000 3/23328 140.0 2.712 1.159 1.180 0.000 0.000 0.000 3/23328 150.0 2.595 1.082 1.104 0.000 0.000 0.000 3/23328 160.0 2.492 1.016 1.039 0.000 0.000 0.000 3/23328 170.0 2.401 0.960 0.982 0.000 0.000 0.000 3/23328 180.0 2.318 0.911 0.932 0.000 0.000 0.000 3/23328 190.0 2.244 0.868 0.888 0.000 0.000 0.000 3/23328 200.0 2.176 0.831 0.849 0.000 0.000 0.000 3/23328 210.0 2.114 0.797 0.814 0.000 0.000 0.000 3/23328 220.0 2.056 0.767 0.782 0.000 0.000 0.000 3/23328 230.0 2.003 0.739 0.753 0.000 0.000 0.000 3/23328 240.0 1.952 0.715 0.726 0.000 0.000 0.000 3/23328 250.0 1.905 0.692 0.702 0.000 0.000 0.000 3/23328 260.0 1.861 0.671 0.680 0.000 0.000 0.000 3/23328 270.0 1.818 0.652 0.659 0.000 0.000 0.000 3/23328 280.0 1.778 0.634 0.639 0.000 0.000 0.000 3/23328 290.0 1.739 0.617 0.621 0.000 0.000 0.000 3/23328 300.0 1.703 0.601 0.604 0.000 0.000 0.000 3/23328 310.0 1.667 0.586 0.588 0.000 0.000 0.000 3/23328 320.0 1.633 0.572 0.573 0.000 0.000 0.000 3/23328 330.0 1.601 0.559 0.559 0.000 0.000 0.000 3/23328 340.0 1.569 0.546 0.545 0.000 0.000 0.000 3/23328 350.0 1.539 0.534 0.532 0.000 0.000 0.000 3/23328 360.0 1.510 0.522 0.520 0.000 0.000 0.000 3/23328 370.0 1.481 0.511 0.508 0.000 0.000 0.000 3/23328 380.0 1.454 0.501 0.497 0.000 0.000 0.000 3/23328 390.0 1.428 0.491 0.487 0.000 0.000 0.000 3/23328 400.0 1.402 0.481 0.476 0.000 0.000 0.000 3/23328 410.0 1.377 0.472 0.467 0.000 0.000 0.000 3/23328 420.0 1.353 0.463 0.457 0.000 0.000 0.000 3/23328 430.0 1.330 0.454 0.448 0.000 0.000 0.000 3/23328 440.0 1.307 0.446 0.440 0.000 0.000 0.000 3/23328 450.0 1.285 0.438 0.431 0.000 0.000 0.000 3/23328 460.0 1.264 0.430 0.423 0.000 0.000 0.000 3/23328 470.0 1.243 0.423 0.416 0.000 0.000 0.000 3/23328 480.0 1.223 0.415 0.408 0.000 0.000 0.000 3/23328 490.0 1.204 0.408 0.401 0.000 0.000 0.000 3/23328 500.0 1.185 0.402 0.394 0.000 0.000 0.000 3/23328 510.0 1.166 0.395 0.387 0.000 0.000 0.000 3/23328 520.0 1.148 0.389 0.381 0.000 0.000 0.000 3/23328 530.0 1.131 0.383 0.374 0.000 0.000 0.000 3/23328 540.0 1.114 0.377 0.368 0.000 0.000 0.000 3/23328 550.0 1.097 0.371 0.362 0.000 0.000 0.000 3/23328 560.0 1.081 0.365 0.357 0.000 0.000 0.000 3/23328 570.0 1.066 0.360 0.351 0.000 0.000 0.000 3/23328 580.0 1.050 0.354 0.346 0.000 0.000 0.000 3/23328 590.0 1.036 0.349 0.341 0.000 0.000 0.000 3/23328 600.0 1.021 0.344 0.336 0.000 0.000 0.000 3/23328 610.0 1.007 0.339 0.331 0.000 0.000 0.000 3/23328 620.0 0.993 0.335 0.326 0.000 0.000 0.000 3/23328 630.0 0.980 0.330 0.321 0.000 0.000 0.000 3/23328 640.0 0.967 0.325 0.317 0.000 0.000 0.000 3/23328 650.0 0.954 0.321 0.312 0.000 0.000 0.000 3/23328 660.0 0.942 0.317 0.308 0.000 0.000 0.000 3/23328 670.0 0.930 0.313 0.304 0.000 0.000 0.000 3/23328 680.0 0.918 0.308 0.300 0.000 0.000 0.000 3/23328 690.0 0.906 0.304 0.296 0.000 0.000 0.000 3/23328 700.0 0.895 0.301 0.292 0.000 0.000 0.000 3/23328 710.0 0.884 0.297 0.288 0.000 0.000 0.000 3/23328 720.0 0.873 0.293 0.284 0.000 0.000 0.000 3/23328 730.0 0.863 0.290 0.281 0.000 0.000 0.000 3/23328 740.0 0.852 0.286 0.277 0.000 0.000 0.000 3/23328 750.0 0.842 0.283 0.274 0.000 0.000 0.000 3/23328 760.0 0.832 0.279 0.271 0.000 0.000 0.000 3/23328 770.0 0.823 0.276 0.267 0.000 0.000 0.000 3/23328 780.0 0.813 0.273 0.264 0.000 0.000 0.000 3/23328 790.0 0.804 0.270 0.261 0.000 0.000 0.000 3/23328 800.0 0.795 0.267 0.258 0.000 0.000 0.000 3/23328 810.0 0.786 0.264 0.255 0.000 0.000 0.000 3/23328 820.0 0.778 0.261 0.252 0.000 0.000 0.000 3/23328 830.0 0.769 0.258 0.249 0.000 0.000 0.000 3/23328 840.0 0.761 0.255 0.247 0.000 0.000 0.000 3/23328 850.0 0.753 0.252 0.244 0.000 0.000 0.000 3/23328 860.0 0.745 0.249 0.241 0.000 0.000 0.000 3/23328 870.0 0.737 0.247 0.239 0.000 0.000 0.000 3/23328 880.0 0.729 0.244 0.236 0.000 0.000 0.000 3/23328 890.0 0.722 0.242 0.234 0.000 0.000 0.000 3/23328 900.0 0.714 0.239 0.231 0.000 0.000 0.000 3/23328 910.0 0.707 0.237 0.229 0.000 0.000 0.000 3/23328 920.0 0.700 0.234 0.226 0.000 0.000 0.000 3/23328 930.0 0.693 0.232 0.224 0.000 0.000 0.000 3/23328 940.0 0.686 0.230 0.222 0.000 0.000 0.000 3/23328 950.0 0.680 0.227 0.220 0.000 0.000 0.000 3/23328 960.0 0.673 0.225 0.217 0.000 0.000 0.000 3/23328 970.0 0.667 0.223 0.215 0.000 0.000 0.000 3/23328 980.0 0.660 0.221 0.213 0.000 0.000 0.000 3/23328 990.0 0.654 0.219 0.211 0.000 0.000 0.000 3/23328 1000.0 0.648 0.217 0.209 0.000 0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:49:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|