----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:17:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.951503230000000 Atomic positions (fractional): *1 Li 0.01984444301790 0.36523942140559 0.23861190994727 6.941 2 Li 0.98015555698210 0.63476057859442 0.23861190994727 6.941 3 Li 0.51984444301790 0.13476057859442 0.26138809005273 6.941 4 Li 0.48015555698210 0.86523942140558 0.26138809005273 6.941 5 Li 0.98015555698210 0.63476057859442 0.76138809005273 6.941 6 Li 0.01984444301790 0.36523942140559 0.76138809005273 6.941 7 Li 0.48015555698210 0.86523942140558 0.73861190994727 6.941 8 Li 0.51984444301790 0.13476057859442 0.73861190994727 6.941 *9 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 10 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 11 Li 0.70499326896654 0.07783067114945 0.50000000000000 6.941 12 Li 0.29500673103346 0.92216932885055 0.50000000000000 6.941 *13 N 0.30208643309986 0.01843776731465 0.23540752222799 14.007 14 N 0.69791356690014 0.98156223268535 0.23540752222799 14.007 15 N 0.80208643309986 0.48156223268535 0.26459247777201 14.007 16 N 0.19791356690014 0.51843776731465 0.26459247777201 14.007 17 N 0.69791356690014 0.98156223268535 0.76459247777201 14.007 18 N 0.30208643309986 0.01843776731465 0.76459247777201 14.007 19 N 0.19791356690014 0.51843776731465 0.73540752222799 14.007 20 N 0.80208643309986 0.48156223268535 0.73540752222799 14.007 *21 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 22 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 23 N 0.57341160623329 0.27898313494809 0.50000000000000 14.007 24 N 0.42658839376671 0.72101686505191 0.50000000000000 14.007 *25 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 26 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 27 N 0.95392421941666 0.21626528867223 0.50000000000000 14.007 28 N 0.04607578058334 0.78373471132776 0.50000000000000 14.007 *29 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 30 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 31 Sr 0.74053181031579 0.74735662193556 0.50000000000000 87.620 32 Sr 0.25946818968421 0.25264337806444 0.50000000000000 87.620 *33 Sr 0.00000000000000 0.00000000000000 0.26038215382411 87.620 34 Sr 0.50000000000000 0.50000000000000 0.23961784617589 87.620 35 Sr 0.00000000000000 0.00000000000000 0.73961784617589 87.620 36 Sr 0.50000000000000 0.50000000000000 0.76038215382411 87.620 *37 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 38 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 39 Ta 0.78584642673724 0.36283603655756 0.50000000000000 180.948 40 Ta 0.21415357326276 0.63716396344244 0.50000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.951503230000000 Atomic positions (fractional): *1 Li 0.01984444301790 0.36523942140559 0.23861190994727 6.941 > 1 2 Li 0.98015555698210 0.63476057859442 0.23861190994727 6.941 > 2 3 Li 0.51984444301790 0.13476057859442 0.26138809005273 6.941 > 3 4 Li 0.48015555698210 0.86523942140558 0.26138809005273 6.941 > 4 5 Li 0.98015555698210 0.63476057859442 0.76138809005273 6.941 > 5 6 Li 0.01984444301790 0.36523942140559 0.76138809005273 6.941 > 6 7 Li 0.48015555698210 0.86523942140558 0.73861190994727 6.941 > 7 8 Li 0.51984444301790 0.13476057859442 0.73861190994727 6.941 > 8 *9 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 > 9 10 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 > 10 11 Li 0.70499326896654 0.07783067114945 0.50000000000000 6.941 > 11 12 Li 0.29500673103346 0.92216932885055 0.50000000000000 6.941 > 12 *13 N 0.30208643309986 0.01843776731465 0.23540752222799 14.007 > 13 14 N 0.69791356690014 0.98156223268535 0.23540752222799 14.007 > 14 15 N 0.80208643309986 0.48156223268535 0.26459247777201 14.007 > 15 16 N 0.19791356690014 0.51843776731465 0.26459247777201 14.007 > 16 17 N 0.69791356690014 0.98156223268535 0.76459247777201 14.007 > 17 18 N 0.30208643309986 0.01843776731465 0.76459247777201 14.007 > 18 19 N 0.19791356690014 0.51843776731465 0.73540752222799 14.007 > 19 20 N 0.80208643309986 0.48156223268535 0.73540752222799 14.007 > 20 *21 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 > 21 22 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 > 22 23 N 0.57341160623329 0.27898313494809 0.50000000000000 14.007 > 23 24 N 0.42658839376671 0.72101686505191 0.50000000000000 14.007 > 24 *25 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 > 25 26 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 > 26 27 N 0.95392421941666 0.21626528867223 0.50000000000000 14.007 > 27 28 N 0.04607578058334 0.78373471132776 0.50000000000000 14.007 > 28 *29 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 > 29 30 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 > 30 31 Sr 0.74053181031579 0.74735662193556 0.50000000000000 87.620 > 31 32 Sr 0.25946818968421 0.25264337806444 0.50000000000000 87.620 > 32 *33 Sr 0.00000000000000 0.00000000000000 0.26038215382411 87.620 > 33 34 Sr 0.50000000000000 0.50000000000000 0.23961784617589 87.620 > 34 35 Sr 0.00000000000000 0.00000000000000 0.73961784617589 87.620 > 35 36 Sr 0.50000000000000 0.50000000000000 0.76038215382411 87.620 > 36 *37 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 > 37 38 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 > 38 39 Ta 0.78584642673724 0.36283603655756 0.50000000000000 180.948 > 39 40 Ta 0.21415357326276 0.63716396344244 0.50000000000000 180.948 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.903006460000000 Atomic positions (fractional): *1 Li 0.01984444301790 0.36523942140559 0.11930595497363 6.941 > 1 2 Li 0.01984444301790 0.36523942140559 0.61930595497364 6.941 > 1 3 Li 0.98015555698210 0.63476057859442 0.11930595497363 6.941 > 2 4 Li 0.98015555698210 0.63476057859442 0.61930595497364 6.941 > 2 5 Li 0.51984444301790 0.13476057859442 0.13069404502637 6.941 > 3 6 Li 0.51984444301790 0.13476057859442 0.63069404502636 6.941 > 3 7 Li 0.48015555698210 0.86523942140558 0.13069404502637 6.941 > 4 8 Li 0.48015555698210 0.86523942140558 0.63069404502636 6.941 > 4 9 Li 0.98015555698210 0.63476057859442 0.38069404502637 6.941 > 5 10 Li 0.98015555698210 0.63476057859442 0.88069404502636 6.941 > 5 11 Li 0.01984444301790 0.36523942140559 0.38069404502637 6.941 > 6 12 Li 0.01984444301790 0.36523942140559 0.88069404502636 6.941 > 6 13 Li 0.48015555698210 0.86523942140558 0.36930595497363 6.941 > 7 14 Li 0.48015555698210 0.86523942140558 0.86930595497364 6.941 > 7 15 Li 0.51984444301790 0.13476057859442 0.36930595497363 6.941 > 8 16 Li 0.51984444301790 0.13476057859442 0.86930595497364 6.941 > 8 *17 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 > 9 18 Li 0.20499326896654 0.42216932885055 0.50000000000000 6.941 > 9 19 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 > 10 20 Li 0.79500673103346 0.57783067114945 0.50000000000000 6.941 > 10 21 Li 0.70499326896654 0.07783067114945 0.25000000000000 6.941 > 11 22 Li 0.70499326896654 0.07783067114945 0.75000000000000 6.941 > 11 23 Li 0.29500673103346 0.92216932885055 0.25000000000000 6.941 > 12 24 Li 0.29500673103346 0.92216932885055 0.75000000000000 6.941 > 12 *25 N 0.30208643309986 0.01843776731465 0.11770376111399 14.007 > 13 26 N 0.30208643309986 0.01843776731465 0.61770376111399 14.007 > 13 27 N 0.69791356690014 0.98156223268535 0.11770376111399 14.007 > 14 28 N 0.69791356690014 0.98156223268535 0.61770376111399 14.007 > 14 29 N 0.80208643309986 0.48156223268535 0.13229623888601 14.007 > 15 30 N 0.80208643309986 0.48156223268535 0.63229623888601 14.007 > 15 31 N 0.19791356690014 0.51843776731465 0.13229623888601 14.007 > 16 32 N 0.19791356690014 0.51843776731465 0.63229623888601 14.007 > 16 33 N 0.69791356690014 0.98156223268535 0.38229623888601 14.007 > 17 34 N 0.69791356690014 0.98156223268535 0.88229623888601 14.007 > 17 35 N 0.30208643309986 0.01843776731465 0.38229623888601 14.007 > 18 36 N 0.30208643309986 0.01843776731465 0.88229623888601 14.007 > 18 37 N 0.19791356690014 0.51843776731465 0.36770376111399 14.007 > 19 38 N 0.19791356690014 0.51843776731465 0.86770376111399 14.007 > 19 39 N 0.80208643309986 0.48156223268535 0.36770376111399 14.007 > 20 40 N 0.80208643309986 0.48156223268535 0.86770376111399 14.007 > 20 *41 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 > 21 42 N 0.07341160623329 0.22101686505191 0.50000000000000 14.007 > 21 43 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 > 22 44 N 0.92658839376671 0.77898313494809 0.50000000000000 14.007 > 22 45 N 0.57341160623329 0.27898313494809 0.25000000000000 14.007 > 23 46 N 0.57341160623329 0.27898313494809 0.75000000000000 14.007 > 23 47 N 0.42658839376671 0.72101686505191 0.25000000000000 14.007 > 24 48 N 0.42658839376671 0.72101686505191 0.75000000000000 14.007 > 24 *49 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 > 25 50 N 0.45392421941666 0.28373471132777 0.50000000000000 14.007 > 25 51 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 > 26 52 N 0.54607578058334 0.71626528867224 0.50000000000000 14.007 > 26 53 N 0.95392421941666 0.21626528867223 0.25000000000000 14.007 > 27 54 N 0.95392421941666 0.21626528867223 0.75000000000000 14.007 > 27 55 N 0.04607578058334 0.78373471132776 0.25000000000000 14.007 > 28 56 N 0.04607578058334 0.78373471132776 0.75000000000000 14.007 > 28 *57 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 > 29 58 Sr 0.24053181031579 0.75264337806444 0.50000000000000 87.620 > 29 59 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 > 30 60 Sr 0.75946818968421 0.24735662193556 0.50000000000000 87.620 > 30 61 Sr 0.74053181031579 0.74735662193556 0.25000000000000 87.620 > 31 62 Sr 0.74053181031579 0.74735662193556 0.75000000000000 87.620 > 31 63 Sr 0.25946818968421 0.25264337806444 0.25000000000000 87.620 > 32 64 Sr 0.25946818968421 0.25264337806444 0.75000000000000 87.620 > 32 *65 Sr 0.00000000000000 0.00000000000000 0.13019107691205 87.620 > 33 66 Sr 0.00000000000000 0.00000000000000 0.63019107691205 87.620 > 33 67 Sr 0.50000000000000 0.50000000000000 0.11980892308795 87.620 > 34 68 Sr 0.50000000000000 0.50000000000000 0.61980892308795 87.620 > 34 69 Sr 0.00000000000000 0.00000000000000 0.36980892308795 87.620 > 35 70 Sr 0.00000000000000 0.00000000000000 0.86980892308795 87.620 > 35 71 Sr 0.50000000000000 0.50000000000000 0.38019107691205 87.620 > 36 72 Sr 0.50000000000000 0.50000000000000 0.88019107691205 87.620 > 36 *73 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 > 37 74 Ta 0.28584642673724 0.13716396344244 0.50000000000000 180.948 > 37 75 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 > 38 76 Ta 0.71415357326276 0.86283603655756 0.50000000000000 180.948 > 38 77 Ta 0.78584642673724 0.36283603655756 0.25000000000000 180.948 > 39 78 Ta 0.78584642673724 0.36283603655756 0.75000000000000 180.948 > 39 79 Ta 0.21415357326276 0.63716396344244 0.25000000000000 180.948 > 40 80 Ta 0.21415357326276 0.63716396344244 0.75000000000000 180.948 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6813729 0.0000000 0.0000000 0.0000000 5.4196315 0.0000000 0.0000000 0.0000000 5.7539501 -------------------------- Born effective charges -------------------------- 1 Li 0.9824557 0.0176617 -0.2847586 0.1351727 0.8749338 0.1206405 -0.1489548 0.1785012 0.8294740 2 Li 0.9824557 0.0176617 0.2847586 0.1351727 0.8749338 -0.1206405 0.1489548 -0.1785012 0.8294740 3 Li 0.9824557 -0.0176617 0.2847586 -0.1351727 0.8749338 0.1206405 0.1489548 0.1785012 0.8294740 4 Li 0.9824557 -0.0176617 -0.2847586 -0.1351727 0.8749338 -0.1206405 -0.1489548 -0.1785012 0.8294740 5 Li 0.9824557 0.0176617 -0.2847586 0.1351727 0.8749338 0.1206405 -0.1489548 0.1785012 0.8294740 6 Li 0.9824557 0.0176617 0.2847586 0.1351727 0.8749338 -0.1206405 0.1489548 -0.1785012 0.8294740 7 Li 0.9824557 -0.0176617 0.2847586 -0.1351727 0.8749338 0.1206405 0.1489548 0.1785012 0.8294740 8 Li 0.9824557 -0.0176617 -0.2847586 -0.1351727 0.8749338 -0.1206405 -0.1489548 -0.1785012 0.8294740 9 Li 0.7293583 -0.0312911 0.0000000 -0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 10 Li 0.7293583 -0.0312911 0.0000000 -0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 11 Li 0.7293583 0.0312911 0.0000000 0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 12 Li 0.7293583 0.0312911 0.0000000 0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 13 N -1.9102159 0.0642769 0.0006589 0.0821328 -2.3770566 0.7162657 -0.0177253 0.8957743 -3.1453574 14 N -1.9102159 0.0642769 -0.0006589 0.0821328 -2.3770566 -0.7162657 0.0177253 -0.8957743 -3.1453574 15 N -1.9102159 -0.0642769 -0.0006589 -0.0821328 -2.3770566 0.7162657 0.0177253 0.8957743 -3.1453574 16 N -1.9102159 -0.0642769 0.0006589 -0.0821328 -2.3770566 -0.7162657 -0.0177253 -0.8957743 -3.1453574 17 N -1.9102159 0.0642769 0.0006589 0.0821328 -2.3770566 0.7162657 -0.0177253 0.8957743 -3.1453574 18 N -1.9102159 0.0642769 -0.0006589 0.0821328 -2.3770566 -0.7162657 0.0177253 -0.8957743 -3.1453574 19 N -1.9102159 -0.0642769 -0.0006589 -0.0821328 -2.3770566 0.7162657 0.0177253 0.8957743 -3.1453574 20 N -1.9102159 -0.0642769 0.0006589 -0.0821328 -2.3770566 -0.7162657 -0.0177253 -0.8957743 -3.1453574 21 N -3.7032114 0.6365546 0.0000000 0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 22 N -3.7032114 0.6365546 0.0000000 0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 23 N -3.7032114 -0.6365546 0.0000000 -0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 24 N -3.7032114 -0.6365546 0.0000000 -0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 25 N -3.2098194 -1.1298593 0.0000000 -0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 26 N -3.2098194 -1.1298593 0.0000000 -0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 27 N -3.2098194 1.1298593 0.0000000 0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 28 N -3.2098194 1.1298593 0.0000000 0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 29 Sr 2.9138071 -0.0823141 0.0000000 0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 30 Sr 2.9138071 -0.0823141 0.0000000 0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 31 Sr 2.9138071 0.0823141 0.0000000 -0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 32 Sr 2.9138071 0.0823141 0.0000000 -0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 33 Sr 2.2117450 0.0104862 0.0000000 0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 34 Sr 2.2117450 -0.0104862 0.0000000 -0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 35 Sr 2.2117450 0.0104862 0.0000000 0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 36 Sr 2.2117450 -0.0104862 0.0000000 -0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 37 Ta 2.9136408 0.1700969 0.0000000 0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 38 Ta 2.9136408 0.1700969 0.0000000 0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 39 Ta 2.9136408 -0.1700969 0.0000000 -0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 40 Ta 2.9136408 -0.1700969 0.0000000 -0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1869), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 438), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.193 Solver_block: 200 / 640 - Time: 2.186 Solver_block: 300 / 640 - Time: 2.182 Solver_block: 400 / 640 - Time: 2.185 Solver_block: 500 / 640 - Time: 2.184 Solver_block: 600 / 640 - Time: 2.184 Solver_block: 640 / 640 - Time: 0.940 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.102 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1869), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 438), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:17:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:17:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.951503230000000 Atomic positions (fractional): 1 Li 0.01984444301790 0.36523942140559 0.23861190994727 6.941 2 Li 0.98015555698210 0.63476057859442 0.23861190994727 6.941 3 Li 0.51984444301790 0.13476057859442 0.26138809005273 6.941 4 Li 0.48015555698210 0.86523942140558 0.26138809005273 6.941 5 Li 0.98015555698210 0.63476057859442 0.76138809005273 6.941 6 Li 0.01984444301790 0.36523942140559 0.76138809005273 6.941 7 Li 0.48015555698210 0.86523942140558 0.73861190994727 6.941 8 Li 0.51984444301790 0.13476057859442 0.73861190994727 6.941 9 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 10 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 11 Li 0.70499326896654 0.07783067114945 0.50000000000000 6.941 12 Li 0.29500673103346 0.92216932885055 0.50000000000000 6.941 13 N 0.30208643309986 0.01843776731465 0.23540752222799 14.007 14 N 0.69791356690014 0.98156223268535 0.23540752222799 14.007 15 N 0.80208643309986 0.48156223268535 0.26459247777201 14.007 16 N 0.19791356690014 0.51843776731465 0.26459247777201 14.007 17 N 0.69791356690014 0.98156223268535 0.76459247777201 14.007 18 N 0.30208643309986 0.01843776731465 0.76459247777201 14.007 19 N 0.19791356690014 0.51843776731465 0.73540752222799 14.007 20 N 0.80208643309986 0.48156223268535 0.73540752222799 14.007 21 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 22 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 23 N 0.57341160623329 0.27898313494809 0.50000000000000 14.007 24 N 0.42658839376671 0.72101686505191 0.50000000000000 14.007 25 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 26 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 27 N 0.95392421941666 0.21626528867223 0.50000000000000 14.007 28 N 0.04607578058334 0.78373471132776 0.50000000000000 14.007 29 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 30 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 31 Sr 0.74053181031579 0.74735662193556 0.50000000000000 87.620 32 Sr 0.25946818968421 0.25264337806444 0.50000000000000 87.620 33 Sr 0.00000000000000 0.00000000000000 0.26038215382411 87.620 34 Sr 0.50000000000000 0.50000000000000 0.23961784617589 87.620 35 Sr 0.00000000000000 0.00000000000000 0.73961784617589 87.620 36 Sr 0.50000000000000 0.50000000000000 0.76038215382411 87.620 37 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 38 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 39 Ta 0.78584642673724 0.36283603655756 0.50000000000000 180.948 40 Ta 0.21415357326276 0.63716396344244 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.903006460000000 Atomic positions (fractional): 1 Li 0.01984444301790 0.36523942140559 0.11930595497363 6.941 > 1 2 Li 0.01984444301790 0.36523942140559 0.61930595497364 6.941 > 1 3 Li 0.98015555698210 0.63476057859442 0.11930595497363 6.941 > 3 4 Li 0.98015555698210 0.63476057859442 0.61930595497364 6.941 > 3 5 Li 0.51984444301790 0.13476057859442 0.13069404502637 6.941 > 5 6 Li 0.51984444301790 0.13476057859442 0.63069404502636 6.941 > 5 7 Li 0.48015555698210 0.86523942140558 0.13069404502637 6.941 > 7 8 Li 0.48015555698210 0.86523942140558 0.63069404502636 6.941 > 7 9 Li 0.98015555698210 0.63476057859442 0.38069404502637 6.941 > 9 10 Li 0.98015555698210 0.63476057859442 0.88069404502636 6.941 > 9 11 Li 0.01984444301790 0.36523942140559 0.38069404502637 6.941 > 11 12 Li 0.01984444301790 0.36523942140559 0.88069404502636 6.941 > 11 13 Li 0.48015555698210 0.86523942140558 0.36930595497363 6.941 > 13 14 Li 0.48015555698210 0.86523942140558 0.86930595497364 6.941 > 13 15 Li 0.51984444301790 0.13476057859442 0.36930595497363 6.941 > 15 16 Li 0.51984444301790 0.13476057859442 0.86930595497364 6.941 > 15 17 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 > 17 18 Li 0.20499326896654 0.42216932885055 0.50000000000000 6.941 > 17 19 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 > 19 20 Li 0.79500673103346 0.57783067114945 0.50000000000000 6.941 > 19 21 Li 0.70499326896654 0.07783067114945 0.25000000000000 6.941 > 21 22 Li 0.70499326896654 0.07783067114945 0.75000000000000 6.941 > 21 23 Li 0.29500673103346 0.92216932885055 0.25000000000000 6.941 > 23 24 Li 0.29500673103346 0.92216932885055 0.75000000000000 6.941 > 23 25 N 0.30208643309986 0.01843776731465 0.11770376111399 14.007 > 25 26 N 0.30208643309986 0.01843776731465 0.61770376111399 14.007 > 25 27 N 0.69791356690014 0.98156223268535 0.11770376111399 14.007 > 27 28 N 0.69791356690014 0.98156223268535 0.61770376111399 14.007 > 27 29 N 0.80208643309986 0.48156223268535 0.13229623888601 14.007 > 29 30 N 0.80208643309986 0.48156223268535 0.63229623888601 14.007 > 29 31 N 0.19791356690014 0.51843776731465 0.13229623888601 14.007 > 31 32 N 0.19791356690014 0.51843776731465 0.63229623888601 14.007 > 31 33 N 0.69791356690014 0.98156223268535 0.38229623888601 14.007 > 33 34 N 0.69791356690014 0.98156223268535 0.88229623888601 14.007 > 33 35 N 0.30208643309986 0.01843776731465 0.38229623888601 14.007 > 35 36 N 0.30208643309986 0.01843776731465 0.88229623888601 14.007 > 35 37 N 0.19791356690014 0.51843776731465 0.36770376111399 14.007 > 37 38 N 0.19791356690014 0.51843776731465 0.86770376111399 14.007 > 37 39 N 0.80208643309986 0.48156223268535 0.36770376111399 14.007 > 39 40 N 0.80208643309986 0.48156223268535 0.86770376111399 14.007 > 39 41 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 > 41 42 N 0.07341160623329 0.22101686505191 0.50000000000000 14.007 > 41 43 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 > 43 44 N 0.92658839376671 0.77898313494809 0.50000000000000 14.007 > 43 45 N 0.57341160623329 0.27898313494809 0.25000000000000 14.007 > 45 46 N 0.57341160623329 0.27898313494809 0.75000000000000 14.007 > 45 47 N 0.42658839376671 0.72101686505191 0.25000000000000 14.007 > 47 48 N 0.42658839376671 0.72101686505191 0.75000000000000 14.007 > 47 49 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 > 49 50 N 0.45392421941666 0.28373471132777 0.50000000000000 14.007 > 49 51 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 > 51 52 N 0.54607578058334 0.71626528867224 0.50000000000000 14.007 > 51 53 N 0.95392421941666 0.21626528867223 0.25000000000000 14.007 > 53 54 N 0.95392421941666 0.21626528867223 0.75000000000000 14.007 > 53 55 N 0.04607578058334 0.78373471132776 0.25000000000000 14.007 > 55 56 N 0.04607578058334 0.78373471132776 0.75000000000000 14.007 > 55 57 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 > 57 58 Sr 0.24053181031579 0.75264337806444 0.50000000000000 87.620 > 57 59 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 > 59 60 Sr 0.75946818968421 0.24735662193556 0.50000000000000 87.620 > 59 61 Sr 0.74053181031579 0.74735662193556 0.25000000000000 87.620 > 61 62 Sr 0.74053181031579 0.74735662193556 0.75000000000000 87.620 > 61 63 Sr 0.25946818968421 0.25264337806444 0.25000000000000 87.620 > 63 64 Sr 0.25946818968421 0.25264337806444 0.75000000000000 87.620 > 63 65 Sr 0.00000000000000 0.00000000000000 0.13019107691205 87.620 > 65 66 Sr 0.00000000000000 0.00000000000000 0.63019107691205 87.620 > 65 67 Sr 0.50000000000000 0.50000000000000 0.11980892308795 87.620 > 67 68 Sr 0.50000000000000 0.50000000000000 0.61980892308795 87.620 > 67 69 Sr 0.00000000000000 0.00000000000000 0.36980892308795 87.620 > 69 70 Sr 0.00000000000000 0.00000000000000 0.86980892308795 87.620 > 69 71 Sr 0.50000000000000 0.50000000000000 0.38019107691205 87.620 > 71 72 Sr 0.50000000000000 0.50000000000000 0.88019107691205 87.620 > 71 73 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 > 73 74 Ta 0.28584642673724 0.13716396344244 0.50000000000000 180.948 > 73 75 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 > 75 76 Ta 0.71415357326276 0.86283603655756 0.50000000000000 180.948 > 75 77 Ta 0.78584642673724 0.36283603655756 0.25000000000000 180.948 > 77 78 Ta 0.78584642673724 0.36283603655756 0.75000000000000 180.948 > 77 79 Ta 0.21415357326276 0.63716396344244 0.25000000000000 180.948 > 79 80 Ta 0.21415357326276 0.63716396344244 0.75000000000000 180.948 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6813729 0.0000000 0.0000000 0.0000000 5.4196315 0.0000000 0.0000000 0.0000000 5.7539501 -------------------------- Born effective charges -------------------------- 1 Li 0.9824557 0.0176617 -0.2847586 0.1351727 0.8749338 0.1206405 -0.1489548 0.1785012 0.8294740 2 Li 0.9824557 0.0176617 0.2847586 0.1351727 0.8749338 -0.1206405 0.1489548 -0.1785012 0.8294740 3 Li 0.9824557 -0.0176617 0.2847586 -0.1351727 0.8749338 0.1206405 0.1489548 0.1785012 0.8294740 4 Li 0.9824557 -0.0176617 -0.2847586 -0.1351727 0.8749338 -0.1206405 -0.1489548 -0.1785012 0.8294740 5 Li 0.9824557 0.0176617 -0.2847586 0.1351727 0.8749338 0.1206405 -0.1489548 0.1785012 0.8294740 6 Li 0.9824557 0.0176617 0.2847586 0.1351727 0.8749338 -0.1206405 0.1489548 -0.1785012 0.8294740 7 Li 0.9824557 -0.0176617 0.2847586 -0.1351727 0.8749338 0.1206405 0.1489548 0.1785012 0.8294740 8 Li 0.9824557 -0.0176617 -0.2847586 -0.1351727 0.8749338 -0.1206405 -0.1489548 -0.1785012 0.8294740 9 Li 0.7293583 -0.0312911 0.0000000 -0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 10 Li 0.7293583 -0.0312911 0.0000000 -0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 11 Li 0.7293583 0.0312911 0.0000000 0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 12 Li 0.7293583 0.0312911 0.0000000 0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 13 N -1.9102159 0.0642769 0.0006589 0.0821328 -2.3770566 0.7162657 -0.0177253 0.8957743 -3.1453574 14 N -1.9102159 0.0642769 -0.0006589 0.0821328 -2.3770566 -0.7162657 0.0177253 -0.8957743 -3.1453574 15 N -1.9102159 -0.0642769 -0.0006589 -0.0821328 -2.3770566 0.7162657 0.0177253 0.8957743 -3.1453574 16 N -1.9102159 -0.0642769 0.0006589 -0.0821328 -2.3770566 -0.7162657 -0.0177253 -0.8957743 -3.1453574 17 N -1.9102159 0.0642769 0.0006589 0.0821328 -2.3770566 0.7162657 -0.0177253 0.8957743 -3.1453574 18 N -1.9102159 0.0642769 -0.0006589 0.0821328 -2.3770566 -0.7162657 0.0177253 -0.8957743 -3.1453574 19 N -1.9102159 -0.0642769 -0.0006589 -0.0821328 -2.3770566 0.7162657 0.0177253 0.8957743 -3.1453574 20 N -1.9102159 -0.0642769 0.0006589 -0.0821328 -2.3770566 -0.7162657 -0.0177253 -0.8957743 -3.1453574 21 N -3.7032114 0.6365546 0.0000000 0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 22 N -3.7032114 0.6365546 0.0000000 0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 23 N -3.7032114 -0.6365546 0.0000000 -0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 24 N -3.7032114 -0.6365546 0.0000000 -0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 25 N -3.2098194 -1.1298593 0.0000000 -0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 26 N -3.2098194 -1.1298593 0.0000000 -0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 27 N -3.2098194 1.1298593 0.0000000 0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 28 N -3.2098194 1.1298593 0.0000000 0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 29 Sr 2.9138071 -0.0823141 0.0000000 0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 30 Sr 2.9138071 -0.0823141 0.0000000 0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 31 Sr 2.9138071 0.0823141 0.0000000 -0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 32 Sr 2.9138071 0.0823141 0.0000000 -0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 33 Sr 2.2117450 0.0104862 0.0000000 0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 34 Sr 2.2117450 -0.0104862 0.0000000 -0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 35 Sr 2.2117450 0.0104862 0.0000000 0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 36 Sr 2.2117450 -0.0104862 0.0000000 -0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 37 Ta 2.9136408 0.1700969 0.0000000 0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 38 Ta 2.9136408 0.1700969 0.0000000 0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 39 Ta 2.9136408 -0.1700969 0.0000000 -0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 40 Ta 2.9136408 -0.1700969 0.0000000 -0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 57, 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 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:18:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:18:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.951503230000000 Atomic positions (fractional): 1 Li 0.01984444301790 0.36523942140559 0.23861190994727 6.941 2 Li 0.98015555698210 0.63476057859442 0.23861190994727 6.941 3 Li 0.51984444301790 0.13476057859442 0.26138809005273 6.941 4 Li 0.48015555698210 0.86523942140558 0.26138809005273 6.941 5 Li 0.98015555698210 0.63476057859442 0.76138809005273 6.941 6 Li 0.01984444301790 0.36523942140559 0.76138809005273 6.941 7 Li 0.48015555698210 0.86523942140558 0.73861190994727 6.941 8 Li 0.51984444301790 0.13476057859442 0.73861190994727 6.941 9 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 10 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 11 Li 0.70499326896654 0.07783067114945 0.50000000000000 6.941 12 Li 0.29500673103346 0.92216932885055 0.50000000000000 6.941 13 N 0.30208643309986 0.01843776731465 0.23540752222799 14.007 14 N 0.69791356690014 0.98156223268535 0.23540752222799 14.007 15 N 0.80208643309986 0.48156223268535 0.26459247777201 14.007 16 N 0.19791356690014 0.51843776731465 0.26459247777201 14.007 17 N 0.69791356690014 0.98156223268535 0.76459247777201 14.007 18 N 0.30208643309986 0.01843776731465 0.76459247777201 14.007 19 N 0.19791356690014 0.51843776731465 0.73540752222799 14.007 20 N 0.80208643309986 0.48156223268535 0.73540752222799 14.007 21 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 22 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 23 N 0.57341160623329 0.27898313494809 0.50000000000000 14.007 24 N 0.42658839376671 0.72101686505191 0.50000000000000 14.007 25 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 26 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 27 N 0.95392421941666 0.21626528867223 0.50000000000000 14.007 28 N 0.04607578058334 0.78373471132776 0.50000000000000 14.007 29 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 30 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 31 Sr 0.74053181031579 0.74735662193556 0.50000000000000 87.620 32 Sr 0.25946818968421 0.25264337806444 0.50000000000000 87.620 33 Sr 0.00000000000000 0.00000000000000 0.26038215382411 87.620 34 Sr 0.50000000000000 0.50000000000000 0.23961784617589 87.620 35 Sr 0.00000000000000 0.00000000000000 0.73961784617589 87.620 36 Sr 0.50000000000000 0.50000000000000 0.76038215382411 87.620 37 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 38 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 39 Ta 0.78584642673724 0.36283603655756 0.50000000000000 180.948 40 Ta 0.21415357326276 0.63716396344244 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.645825530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.918473010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.903006460000000 Atomic positions (fractional): 1 Li 0.01984444301790 0.36523942140559 0.11930595497363 6.941 > 1 2 Li 0.01984444301790 0.36523942140559 0.61930595497364 6.941 > 1 3 Li 0.98015555698210 0.63476057859442 0.11930595497363 6.941 > 3 4 Li 0.98015555698210 0.63476057859442 0.61930595497364 6.941 > 3 5 Li 0.51984444301790 0.13476057859442 0.13069404502637 6.941 > 5 6 Li 0.51984444301790 0.13476057859442 0.63069404502636 6.941 > 5 7 Li 0.48015555698210 0.86523942140558 0.13069404502637 6.941 > 7 8 Li 0.48015555698210 0.86523942140558 0.63069404502636 6.941 > 7 9 Li 0.98015555698210 0.63476057859442 0.38069404502637 6.941 > 9 10 Li 0.98015555698210 0.63476057859442 0.88069404502636 6.941 > 9 11 Li 0.01984444301790 0.36523942140559 0.38069404502637 6.941 > 11 12 Li 0.01984444301790 0.36523942140559 0.88069404502636 6.941 > 11 13 Li 0.48015555698210 0.86523942140558 0.36930595497363 6.941 > 13 14 Li 0.48015555698210 0.86523942140558 0.86930595497364 6.941 > 13 15 Li 0.51984444301790 0.13476057859442 0.36930595497363 6.941 > 15 16 Li 0.51984444301790 0.13476057859442 0.86930595497364 6.941 > 15 17 Li 0.20499326896654 0.42216932885055 0.00000000000000 6.941 > 17 18 Li 0.20499326896654 0.42216932885055 0.50000000000000 6.941 > 17 19 Li 0.79500673103346 0.57783067114945 0.00000000000000 6.941 > 19 20 Li 0.79500673103346 0.57783067114945 0.50000000000000 6.941 > 19 21 Li 0.70499326896654 0.07783067114945 0.25000000000000 6.941 > 21 22 Li 0.70499326896654 0.07783067114945 0.75000000000000 6.941 > 21 23 Li 0.29500673103346 0.92216932885055 0.25000000000000 6.941 > 23 24 Li 0.29500673103346 0.92216932885055 0.75000000000000 6.941 > 23 25 N 0.30208643309986 0.01843776731465 0.11770376111399 14.007 > 25 26 N 0.30208643309986 0.01843776731465 0.61770376111399 14.007 > 25 27 N 0.69791356690014 0.98156223268535 0.11770376111399 14.007 > 27 28 N 0.69791356690014 0.98156223268535 0.61770376111399 14.007 > 27 29 N 0.80208643309986 0.48156223268535 0.13229623888601 14.007 > 29 30 N 0.80208643309986 0.48156223268535 0.63229623888601 14.007 > 29 31 N 0.19791356690014 0.51843776731465 0.13229623888601 14.007 > 31 32 N 0.19791356690014 0.51843776731465 0.63229623888601 14.007 > 31 33 N 0.69791356690014 0.98156223268535 0.38229623888601 14.007 > 33 34 N 0.69791356690014 0.98156223268535 0.88229623888601 14.007 > 33 35 N 0.30208643309986 0.01843776731465 0.38229623888601 14.007 > 35 36 N 0.30208643309986 0.01843776731465 0.88229623888601 14.007 > 35 37 N 0.19791356690014 0.51843776731465 0.36770376111399 14.007 > 37 38 N 0.19791356690014 0.51843776731465 0.86770376111399 14.007 > 37 39 N 0.80208643309986 0.48156223268535 0.36770376111399 14.007 > 39 40 N 0.80208643309986 0.48156223268535 0.86770376111399 14.007 > 39 41 N 0.07341160623329 0.22101686505191 0.00000000000000 14.007 > 41 42 N 0.07341160623329 0.22101686505191 0.50000000000000 14.007 > 41 43 N 0.92658839376671 0.77898313494809 0.00000000000000 14.007 > 43 44 N 0.92658839376671 0.77898313494809 0.50000000000000 14.007 > 43 45 N 0.57341160623329 0.27898313494809 0.25000000000000 14.007 > 45 46 N 0.57341160623329 0.27898313494809 0.75000000000000 14.007 > 45 47 N 0.42658839376671 0.72101686505191 0.25000000000000 14.007 > 47 48 N 0.42658839376671 0.72101686505191 0.75000000000000 14.007 > 47 49 N 0.45392421941666 0.28373471132777 0.00000000000000 14.007 > 49 50 N 0.45392421941666 0.28373471132777 0.50000000000000 14.007 > 49 51 N 0.54607578058334 0.71626528867224 0.00000000000000 14.007 > 51 52 N 0.54607578058334 0.71626528867224 0.50000000000000 14.007 > 51 53 N 0.95392421941666 0.21626528867223 0.25000000000000 14.007 > 53 54 N 0.95392421941666 0.21626528867223 0.75000000000000 14.007 > 53 55 N 0.04607578058334 0.78373471132776 0.25000000000000 14.007 > 55 56 N 0.04607578058334 0.78373471132776 0.75000000000000 14.007 > 55 57 Sr 0.24053181031579 0.75264337806444 0.00000000000000 87.620 > 57 58 Sr 0.24053181031579 0.75264337806444 0.50000000000000 87.620 > 57 59 Sr 0.75946818968421 0.24735662193556 0.00000000000000 87.620 > 59 60 Sr 0.75946818968421 0.24735662193556 0.50000000000000 87.620 > 59 61 Sr 0.74053181031579 0.74735662193556 0.25000000000000 87.620 > 61 62 Sr 0.74053181031579 0.74735662193556 0.75000000000000 87.620 > 61 63 Sr 0.25946818968421 0.25264337806444 0.25000000000000 87.620 > 63 64 Sr 0.25946818968421 0.25264337806444 0.75000000000000 87.620 > 63 65 Sr 0.00000000000000 0.00000000000000 0.13019107691205 87.620 > 65 66 Sr 0.00000000000000 0.00000000000000 0.63019107691205 87.620 > 65 67 Sr 0.50000000000000 0.50000000000000 0.11980892308795 87.620 > 67 68 Sr 0.50000000000000 0.50000000000000 0.61980892308795 87.620 > 67 69 Sr 0.00000000000000 0.00000000000000 0.36980892308795 87.620 > 69 70 Sr 0.00000000000000 0.00000000000000 0.86980892308795 87.620 > 69 71 Sr 0.50000000000000 0.50000000000000 0.38019107691205 87.620 > 71 72 Sr 0.50000000000000 0.50000000000000 0.88019107691205 87.620 > 71 73 Ta 0.28584642673724 0.13716396344244 0.00000000000000 180.948 > 73 74 Ta 0.28584642673724 0.13716396344244 0.50000000000000 180.948 > 73 75 Ta 0.71415357326276 0.86283603655756 0.00000000000000 180.948 > 75 76 Ta 0.71415357326276 0.86283603655756 0.50000000000000 180.948 > 75 77 Ta 0.78584642673724 0.36283603655756 0.25000000000000 180.948 > 77 78 Ta 0.78584642673724 0.36283603655756 0.75000000000000 180.948 > 77 79 Ta 0.21415357326276 0.63716396344244 0.25000000000000 180.948 > 79 80 Ta 0.21415357326276 0.63716396344244 0.75000000000000 180.948 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6813729 0.0000000 0.0000000 0.0000000 5.4196315 0.0000000 0.0000000 0.0000000 5.7539501 -------------------------- Born effective charges -------------------------- 1 Li 0.9824557 0.0176617 -0.2847586 0.1351727 0.8749338 0.1206405 -0.1489548 0.1785012 0.8294740 2 Li 0.9824557 0.0176617 0.2847586 0.1351727 0.8749338 -0.1206405 0.1489548 -0.1785012 0.8294740 3 Li 0.9824557 -0.0176617 0.2847586 -0.1351727 0.8749338 0.1206405 0.1489548 0.1785012 0.8294740 4 Li 0.9824557 -0.0176617 -0.2847586 -0.1351727 0.8749338 -0.1206405 -0.1489548 -0.1785012 0.8294740 5 Li 0.9824557 0.0176617 -0.2847586 0.1351727 0.8749338 0.1206405 -0.1489548 0.1785012 0.8294740 6 Li 0.9824557 0.0176617 0.2847586 0.1351727 0.8749338 -0.1206405 0.1489548 -0.1785012 0.8294740 7 Li 0.9824557 -0.0176617 0.2847586 -0.1351727 0.8749338 0.1206405 0.1489548 0.1785012 0.8294740 8 Li 0.9824557 -0.0176617 -0.2847586 -0.1351727 0.8749338 -0.1206405 -0.1489548 -0.1785012 0.8294740 9 Li 0.7293583 -0.0312911 0.0000000 -0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 10 Li 0.7293583 -0.0312911 0.0000000 -0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 11 Li 0.7293583 0.0312911 0.0000000 0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 12 Li 0.7293583 0.0312911 0.0000000 0.0818096 1.1244373 0.0000000 0.0000000 0.0000000 1.1649188 13 N -1.9102159 0.0642769 0.0006589 0.0821328 -2.3770566 0.7162657 -0.0177253 0.8957743 -3.1453574 14 N -1.9102159 0.0642769 -0.0006589 0.0821328 -2.3770566 -0.7162657 0.0177253 -0.8957743 -3.1453574 15 N -1.9102159 -0.0642769 -0.0006589 -0.0821328 -2.3770566 0.7162657 0.0177253 0.8957743 -3.1453574 16 N -1.9102159 -0.0642769 0.0006589 -0.0821328 -2.3770566 -0.7162657 -0.0177253 -0.8957743 -3.1453574 17 N -1.9102159 0.0642769 0.0006589 0.0821328 -2.3770566 0.7162657 -0.0177253 0.8957743 -3.1453574 18 N -1.9102159 0.0642769 -0.0006589 0.0821328 -2.3770566 -0.7162657 0.0177253 -0.8957743 -3.1453574 19 N -1.9102159 -0.0642769 -0.0006589 -0.0821328 -2.3770566 0.7162657 0.0177253 0.8957743 -3.1453574 20 N -1.9102159 -0.0642769 0.0006589 -0.0821328 -2.3770566 -0.7162657 -0.0177253 -0.8957743 -3.1453574 21 N -3.7032114 0.6365546 0.0000000 0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 22 N -3.7032114 0.6365546 0.0000000 0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 23 N -3.7032114 -0.6365546 0.0000000 -0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 24 N -3.7032114 -0.6365546 0.0000000 -0.2292078 -2.0297741 0.0000000 0.0000000 0.0000000 -1.9662441 25 N -3.2098194 -1.1298593 0.0000000 -0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 26 N -3.2098194 -1.1298593 0.0000000 -0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 27 N -3.2098194 1.1298593 0.0000000 0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 28 N -3.2098194 1.1298593 0.0000000 0.9531739 -3.0529935 0.0000000 0.0000000 0.0000000 -1.9808137 29 Sr 2.9138071 -0.0823141 0.0000000 0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 30 Sr 2.9138071 -0.0823141 0.0000000 0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 31 Sr 2.9138071 0.0823141 0.0000000 -0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 32 Sr 2.9138071 0.0823141 0.0000000 -0.0024564 2.4582693 0.0000000 0.0000000 0.0000000 2.7407202 33 Sr 2.2117450 0.0104862 0.0000000 0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 34 Sr 2.2117450 -0.0104862 0.0000000 -0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 35 Sr 2.2117450 0.0104862 0.0000000 0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 36 Sr 2.2117450 -0.0104862 0.0000000 -0.3555237 2.4126617 0.0000000 0.0000000 0.0000000 2.2593143 37 Ta 2.9136408 0.1700969 0.0000000 0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 38 Ta 2.9136408 0.1700969 0.0000000 0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 39 Ta 2.9136408 -0.1700969 0.0000000 -0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 40 Ta 2.9136408 -0.1700969 0.0000000 -0.2566685 2.0916450 0.0000000 0.0000000 0.0000000 2.4138714 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 7 ] 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: 0.51, Number of G-points: 319, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64 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 1.613 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 0.000 0.000) 0.000 9.808 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.178 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.644 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 11.635 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 12.114 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.616 ( 0.000 0.000 0.000) 0.000 12.822 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 13.096 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.385 ( 0.000 0.000 0.000) 0.000 13.465 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.565 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.861 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.754 ( 0.000 0.000 0.000) 0.000 14.891 ( 0.000 0.000 0.000) 0.000 14.985 ( 0.000 0.000 0.000) 0.000 15.367 ( 0.000 0.000 0.000) 0.000 15.662 ( 0.000 0.000 0.000) 0.000 15.849 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 16.072 ( 0.000 0.000 0.000) 0.000 16.072 ( 0.000 0.000 0.000) 0.000 16.082 ( 0.000 0.000 0.000) 0.000 16.290 ( 0.000 0.000 0.000) 0.000 18.400 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 18.749 ( 0.000 0.000 0.000) 0.000 19.655 ( 0.000 0.000 0.000) 0.000 20.067 ( 0.000 0.000 0.000) 0.000 20.079 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 20.455 ( 0.000 0.000 0.000) 0.000 20.470 ( 0.000 0.000 0.000) 0.000 20.527 ( 0.000 0.000 0.000) 0.000 20.744 ( 0.000 0.000 0.000) 0.000 21.665 ( 0.000 0.000 0.000) 0.000 23.998 ( 0.000 0.000 0.000) 0.000 24.067 ( 0.000 0.000 0.000) 0.000 24.415 ( 0.000 0.000 0.000) 0.000 24.517 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 29.630 0.000 0.000) 29.630 0.664 ( 33.711 0.000 0.000) 33.711 0.866 ( 41.903 0.000 0.000) 41.903 1.640 ( 2.604 0.000 0.000) 2.604 1.801 ( -1.463 0.000 0.000) 1.463 2.037 ( 2.569 0.000 0.000) 2.569 2.056 ( 8.503 0.000 0.000) 8.503 2.088 ( 4.589 0.000 0.000) 4.589 2.366 ( -0.576 0.000 0.000) 0.576 2.613 ( -4.971 0.000 0.000) 4.971 2.710 ( -3.892 0.000 0.000) 3.892 2.721 ( -8.384 0.000 0.000) 8.384 2.740 ( -5.629 0.000 0.000) 5.629 2.928 ( -0.331 0.000 0.000) 0.331 2.990 ( -3.023 0.000 0.000) 3.023 3.185 ( 4.414 0.000 0.000) 4.414 3.261 ( -1.968 0.000 0.000) 1.968 3.370 ( -0.379 0.000 0.000) 0.379 3.454 ( -4.327 0.000 0.000) 4.327 3.598 ( -8.801 0.000 0.000) 8.801 3.646 ( -6.388 0.000 0.000) 6.388 3.660 ( 2.396 0.000 0.000) 2.396 3.669 ( 3.436 0.000 0.000) 3.436 3.735 ( 9.512 0.000 0.000) 9.512 3.771 ( 0.208 0.000 0.000) 0.208 3.891 ( -6.607 0.000 0.000) 6.607 4.019 ( -1.393 0.000 0.000) 1.393 4.194 ( -0.014 0.000 0.000) 0.014 4.322 ( 9.535 0.000 0.000) 9.535 4.485 ( 4.546 0.000 0.000) 4.546 4.676 ( 4.602 0.000 0.000) 4.602 4.775 ( 1.405 0.000 0.000) 1.405 5.123 ( -1.072 0.000 0.000) 1.072 5.293 ( -5.161 0.000 0.000) 5.161 5.483 ( -6.689 0.000 0.000) 6.689 5.657 ( -0.130 0.000 0.000) 0.130 5.718 ( -4.304 0.000 0.000) 4.304 6.105 ( -7.197 0.000 0.000) 7.197 6.113 ( 8.641 0.000 0.000) 8.641 6.803 ( 1.975 0.000 0.000) 1.975 6.905 ( -6.284 0.000 0.000) 6.284 7.010 ( 0.259 0.000 0.000) 0.259 7.246 ( -7.594 0.000 0.000) 7.594 7.403 ( 3.073 0.000 0.000) 3.073 7.682 ( -11.135 0.000 0.000) 11.135 7.687 ( 5.055 0.000 0.000) 5.055 7.949 ( -1.364 0.000 0.000) 1.364 8.060 ( -8.122 0.000 0.000) 8.122 8.318 ( 2.639 0.000 0.000) 2.639 8.440 ( 4.156 0.000 0.000) 4.156 8.473 ( 3.424 0.000 0.000) 3.424 8.505 ( 4.322 0.000 0.000) 4.322 8.783 ( -1.534 0.000 0.000) 1.534 9.108 ( -11.377 0.000 0.000) 11.377 9.122 ( 8.323 0.000 0.000) 8.323 9.423 ( 0.269 0.000 0.000) 0.269 9.850 ( -2.458 0.000 0.000) 2.458 9.875 ( 3.203 0.000 0.000) 3.203 9.975 ( -5.627 0.000 0.000) 5.627 10.022 ( 16.486 0.000 0.000) 16.486 10.102 ( -4.484 0.000 0.000) 4.484 10.300 ( -4.780 0.000 0.000) 4.780 10.315 ( -6.354 0.000 0.000) 6.354 10.401 ( 2.815 0.000 0.000) 2.815 10.555 ( 7.383 0.000 0.000) 7.383 10.800 ( -4.970 0.000 0.000) 4.970 10.895 ( 12.509 0.000 0.000) 12.509 10.940 ( -5.112 0.000 0.000) 5.112 11.164 ( 5.627 0.000 0.000) 5.627 11.306 ( -3.249 0.000 0.000) 3.249 11.446 ( -1.955 0.000 0.000) 1.955 11.454 ( 4.139 0.000 0.000) 4.139 11.686 ( 3.414 0.000 0.000) 3.414 11.951 ( 0.824 0.000 0.000) 0.824 12.112 ( -6.702 0.000 0.000) 6.702 12.177 ( 5.664 0.000 0.000) 5.664 12.401 ( -1.687 0.000 0.000) 1.687 12.609 ( -0.439 0.000 0.000) 0.439 12.615 ( 0.542 0.000 0.000) 0.542 12.776 ( -4.505 0.000 0.000) 4.505 13.026 ( 5.147 0.000 0.000) 5.147 13.107 ( 1.276 0.000 0.000) 1.276 13.362 ( -2.051 0.000 0.000) 2.051 13.372 ( 3.114 0.000 0.000) 3.114 13.482 ( -4.461 0.000 0.000) 4.461 13.489 ( 2.186 0.000 0.000) 2.186 13.547 ( 0.084 0.000 0.000) 0.084 13.610 ( -0.470 0.000 0.000) 0.470 13.655 ( 3.164 0.000 0.000) 3.164 13.845 ( -1.730 0.000 0.000) 1.730 13.965 ( -4.248 0.000 0.000) 4.248 14.050 ( -3.426 0.000 0.000) 3.426 14.759 ( 0.458 0.000 0.000) 0.458 14.872 ( -1.715 0.000 0.000) 1.715 15.006 ( 2.009 0.000 0.000) 2.009 15.362 ( -5.145 0.000 0.000) 5.145 15.670 ( 0.858 0.000 0.000) 0.858 15.832 ( -1.637 0.000 0.000) 1.637 15.891 ( 1.084 0.000 0.000) 1.084 16.044 ( -1.412 0.000 0.000) 1.412 16.078 ( 0.527 0.000 0.000) 0.527 16.100 ( 1.177 0.000 0.000) 1.177 16.101 ( 2.787 0.000 0.000) 2.787 16.287 ( -0.371 0.000 0.000) 0.371 18.472 ( 6.836 0.000 0.000) 6.836 18.776 ( 2.309 0.000 0.000) 2.309 19.666 ( 1.412 0.000 0.000) 1.412 20.069 ( 0.229 0.000 0.000) 0.229 20.080 ( 0.086 0.000 0.000) 0.086 20.249 ( -8.273 0.000 0.000) 8.273 20.446 ( -0.078 0.000 0.000) 0.078 20.453 ( -0.172 0.000 0.000) 0.172 20.630 ( 8.556 0.000 0.000) 8.556 20.807 ( 6.425 0.000 0.000) 6.425 21.589 ( -7.705 0.000 0.000) 7.705 21.727 ( -8.294 0.000 0.000) 8.294 24.017 ( 1.778 0.000 0.000) 1.778 24.075 ( 0.689 0.000 0.000) 0.689 24.478 ( 0.309 0.000 0.000) 0.309 24.512 ( -0.491 0.000 0.000) 0.491 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 27.168 0.000 0.000) 27.168 1.283 ( 29.896 0.000 0.000) 29.896 1.556 ( 28.179 0.000 0.000) 28.179 1.701 ( 3.356 0.000 0.000) 3.356 1.774 ( -1.358 0.000 0.000) 1.358 2.017 ( -10.141 0.000 0.000) 10.141 2.044 ( -4.093 0.000 0.000) 4.093 2.356 ( 16.649 0.000 0.000) 16.649 2.357 ( -0.071 0.000 0.000) 0.071 2.438 ( -16.476 0.000 0.000) 16.476 2.475 ( -8.070 0.000 0.000) 8.070 2.694 ( -3.621 0.000 0.000) 3.621 2.723 ( 9.390 0.000 0.000) 9.390 2.916 ( -0.887 0.000 0.000) 0.887 2.930 ( -2.562 0.000 0.000) 2.562 3.206 ( -3.658 0.000 0.000) 3.658 3.302 ( 6.183 0.000 0.000) 6.183 3.374 ( 1.038 0.000 0.000) 1.038 3.388 ( -2.411 0.000 0.000) 2.411 3.419 ( -7.632 0.000 0.000) 7.632 3.514 ( -6.401 0.000 0.000) 6.401 3.638 ( -15.179 0.000 0.000) 15.179 3.712 ( 2.617 0.000 0.000) 2.617 3.770 ( -0.404 0.000 0.000) 0.404 3.794 ( 8.618 0.000 0.000) 8.618 3.923 ( 5.441 0.000 0.000) 5.441 3.989 ( -1.082 0.000 0.000) 1.082 4.155 ( -5.322 0.000 0.000) 5.322 4.498 ( 7.664 0.000 0.000) 7.664 4.574 ( 3.569 0.000 0.000) 3.569 4.774 ( 4.702 0.000 0.000) 4.702 4.810 ( 1.869 0.000 0.000) 1.869 5.100 ( -0.985 0.000 0.000) 0.985 5.187 ( -5.290 0.000 0.000) 5.290 5.423 ( 2.288 0.000 0.000) 2.288 5.619 ( -5.186 0.000 0.000) 5.186 5.628 ( -1.900 0.000 0.000) 1.900 5.905 ( -12.881 0.000 0.000) 12.881 6.315 ( 11.591 0.000 0.000) 11.591 6.746 ( -9.760 0.000 0.000) 9.760 6.874 ( 5.040 0.000 0.000) 5.040 7.031 ( 2.809 0.000 0.000) 2.809 7.095 ( -7.315 0.000 0.000) 7.315 7.402 ( -15.015 0.000 0.000) 15.015 7.492 ( 6.236 0.000 0.000) 6.236 7.805 ( 6.504 0.000 0.000) 6.504 7.860 ( -11.612 0.000 0.000) 11.612 7.960 ( -0.014 0.000 0.000) 0.014 8.374 ( 2.734 0.000 0.000) 2.734 8.465 ( -2.621 0.000 0.000) 2.621 8.555 ( 7.433 0.000 0.000) 7.433 8.600 ( 5.043 0.000 0.000) 5.043 8.742 ( -2.621 0.000 0.000) 2.621 8.900 ( -9.951 0.000 0.000) 9.951 9.358 ( 13.786 0.000 0.000) 13.786 9.453 ( 3.126 0.000 0.000) 3.126 9.817 ( -0.214 0.000 0.000) 0.214 9.875 ( -4.688 0.000 0.000) 4.688 9.946 ( 3.293 0.000 0.000) 3.293 9.975 ( -6.962 0.000 0.000) 6.962 10.143 ( -10.512 0.000 0.000) 10.512 10.159 ( -6.531 0.000 0.000) 6.531 10.355 ( 15.366 0.000 0.000) 15.366 10.467 ( 3.803 0.000 0.000) 3.803 10.694 ( -5.289 0.000 0.000) 5.289 10.791 ( 13.441 0.000 0.000) 13.441 10.821 ( -7.125 0.000 0.000) 7.125 11.116 ( 10.170 0.000 0.000) 10.170 11.207 ( -7.198 0.000 0.000) 7.198 11.314 ( 9.559 0.000 0.000) 9.559 11.389 ( -4.124 0.000 0.000) 4.124 11.572 ( 7.951 0.000 0.000) 7.951 11.676 ( -5.304 0.000 0.000) 5.304 11.945 ( -9.953 0.000 0.000) 9.953 12.025 ( 6.803 0.000 0.000) 6.803 12.256 ( -0.678 0.000 0.000) 0.678 12.399 ( 4.052 0.000 0.000) 4.052 12.609 ( 0.398 0.000 0.000) 0.398 12.624 ( 0.184 0.000 0.000) 0.184 12.663 ( -6.813 0.000 0.000) 6.813 13.140 ( 5.969 0.000 0.000) 5.969 13.151 ( 3.432 0.000 0.000) 3.432 13.312 ( -3.121 0.000 0.000) 3.121 13.369 ( -6.704 0.000 0.000) 6.704 13.456 ( 5.364 0.000 0.000) 5.364 13.538 ( 2.546 0.000 0.000) 2.546 13.559 ( 0.941 0.000 0.000) 0.941 13.597 ( -0.844 0.000 0.000) 0.844 13.733 ( 4.937 0.000 0.000) 4.937 13.799 ( -2.702 0.000 0.000) 2.702 13.857 ( -6.288 0.000 0.000) 6.288 13.959 ( -5.692 0.000 0.000) 5.692 14.772 ( 1.005 0.000 0.000) 1.005 14.834 ( -2.053 0.000 0.000) 2.053 15.059 ( 3.460 0.000 0.000) 3.460 15.247 ( -6.117 0.000 0.000) 6.117 15.697 ( 1.892 0.000 0.000) 1.892 15.791 ( -2.516 0.000 0.000) 2.516 15.921 ( 1.982 0.000 0.000) 1.982 16.009 ( -2.159 0.000 0.000) 2.159 16.091 ( 0.862 0.000 0.000) 0.862 16.114 ( 0.178 0.000 0.000) 0.178 16.167 ( 3.633 0.000 0.000) 3.633 16.271 ( -1.403 0.000 0.000) 1.403 18.630 ( 8.525 0.000 0.000) 8.525 18.809 ( 0.321 0.000 0.000) 0.321 19.726 ( 5.197 0.000 0.000) 5.197 20.065 ( -10.337 0.000 0.000) 10.337 20.075 ( 0.305 0.000 0.000) 0.305 20.081 ( 0.013 0.000 0.000) 0.013 20.445 ( -0.026 0.000 0.000) 0.026 20.449 ( -0.228 0.000 0.000) 0.228 20.832 ( 12.273 0.000 0.000) 12.273 20.980 ( 11.039 0.000 0.000) 11.039 21.385 ( -12.709 0.000 0.000) 12.709 21.514 ( -13.114 0.000 0.000) 13.114 24.056 ( 1.974 0.000 0.000) 1.974 24.087 ( 0.405 0.000 0.000) 0.405 24.485 ( 0.366 0.000 0.000) 0.366 24.501 ( -0.556 0.000 0.000) 0.556 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -21.156 0.000 0.000) 21.156 1.611 ( 21.156 0.000 0.000) 21.156 1.729 ( -6.632 0.000 0.000) 6.632 1.729 ( 6.632 0.000 0.000) 6.632 1.813 ( -16.534 0.000 0.000) 16.534 1.813 ( 16.534 0.000 0.000) 16.534 2.089 ( -19.260 0.000 0.000) 19.260 2.089 ( 19.260 0.000 0.000) 19.260 2.373 ( -2.247 0.000 0.000) 2.247 2.373 ( 2.247 0.000 0.000) 2.247 2.588 ( -7.808 0.000 0.000) 7.808 2.588 ( 7.808 0.000 0.000) 7.808 2.904 ( -0.104 0.000 0.000) 0.104 2.904 ( 0.104 0.000 0.000) 0.104 3.044 ( -16.717 0.000 0.000) 16.717 3.044 ( 16.717 0.000 0.000) 16.717 3.344 ( -1.326 0.000 0.000) 1.326 3.344 ( 1.326 0.000 0.000) 1.326 3.401 ( -5.344 0.000 0.000) 5.344 3.401 ( 5.344 0.000 0.000) 5.344 3.417 ( -3.551 0.000 0.000) 3.551 3.417 ( 3.551 0.000 0.000) 3.551 3.752 ( -1.493 0.000 0.000) 1.493 3.752 ( 1.493 0.000 0.000) 1.493 3.971 ( -1.917 0.000 0.000) 1.917 3.971 ( 1.917 0.000 0.000) 1.917 3.995 ( -7.984 0.000 0.000) 7.984 3.995 ( 7.984 0.000 0.000) 7.984 4.593 ( -1.919 0.000 0.000) 1.919 4.593 ( 1.919 0.000 0.000) 1.919 4.829 ( -0.595 0.000 0.000) 0.595 4.829 ( 0.595 0.000 0.000) 0.595 5.108 ( -2.366 0.000 0.000) 2.366 5.108 ( 2.366 0.000 0.000) 2.366 5.533 ( -4.976 0.000 0.000) 4.976 5.533 ( 4.976 0.000 0.000) 4.976 5.664 ( -8.931 0.000 0.000) 8.931 5.664 ( 8.931 0.000 0.000) 8.931 6.540 ( -11.441 0.000 0.000) 11.441 6.540 ( 11.441 0.000 0.000) 11.441 6.975 ( -5.356 0.000 0.000) 5.356 6.975 ( 5.356 0.000 0.000) 5.356 7.153 ( -10.073 0.000 0.000) 10.073 7.153 ( 10.073 0.000 0.000) 10.073 7.647 ( -9.873 0.000 0.000) 9.873 7.647 ( 9.873 0.000 0.000) 9.873 7.916 ( -4.462 0.000 0.000) 4.462 7.916 ( 4.462 0.000 0.000) 4.462 8.418 ( -2.090 0.000 0.000) 2.090 8.418 ( 2.090 0.000 0.000) 2.090 8.681 ( -3.954 0.000 0.000) 3.954 8.681 ( 3.954 0.000 0.000) 3.954 8.720 ( -8.719 0.000 0.000) 8.719 8.720 ( 8.719 0.000 0.000) 8.719 9.513 ( -0.288 0.000 0.000) 0.288 9.513 ( 0.288 0.000 0.000) 0.288 9.858 ( -4.479 0.000 0.000) 4.479 9.858 ( 4.479 0.000 0.000) 4.479 9.884 ( -7.650 0.000 0.000) 7.650 9.884 ( 7.650 0.000 0.000) 7.650 10.066 ( -3.228 0.000 0.000) 3.228 10.066 ( 3.228 0.000 0.000) 3.228 10.529 ( -0.599 0.000 0.000) 0.599 10.529 ( 0.599 0.000 0.000) 0.599 10.674 ( -6.489 0.000 0.000) 6.489 10.674 ( 6.489 0.000 0.000) 6.489 11.030 ( -11.006 0.000 0.000) 11.006 11.030 ( 11.006 0.000 0.000) 11.006 11.282 ( -7.024 0.000 0.000) 7.024 11.282 ( 7.024 0.000 0.000) 7.024 11.514 ( -10.397 0.000 0.000) 10.397 11.514 ( 10.397 0.000 0.000) 10.397 11.748 ( -10.023 0.000 0.000) 10.023 11.748 ( 10.023 0.000 0.000) 10.023 12.167 ( -6.889 0.000 0.000) 6.889 12.167 ( 6.889 0.000 0.000) 6.889 12.525 ( -7.322 0.000 0.000) 7.322 12.525 ( 7.322 0.000 0.000) 7.322 12.620 ( -0.549 0.000 0.000) 0.549 12.620 ( 0.549 0.000 0.000) 0.549 13.240 ( -4.397 0.000 0.000) 4.397 13.240 ( 4.397 0.000 0.000) 4.397 13.242 ( -5.961 0.000 0.000) 5.961 13.242 ( 5.961 0.000 0.000) 5.961 13.549 ( -2.696 0.000 0.000) 2.696 13.549 ( 2.696 0.000 0.000) 2.696 13.579 ( -1.020 0.000 0.000) 1.020 13.579 ( 1.020 0.000 0.000) 1.020 13.770 ( -1.159 0.000 0.000) 1.159 13.770 ( 1.159 0.000 0.000) 1.159 13.842 ( -6.136 0.000 0.000) 6.136 13.842 ( 6.136 0.000 0.000) 6.136 14.798 ( -1.626 0.000 0.000) 1.626 14.798 ( 1.626 0.000 0.000) 1.626 15.139 ( -4.930 0.000 0.000) 4.930 15.139 ( 4.930 0.000 0.000) 4.930 15.740 ( -2.552 0.000 0.000) 2.552 15.740 ( 2.552 0.000 0.000) 2.552 15.965 ( -2.397 0.000 0.000) 2.397 15.965 ( 2.397 0.000 0.000) 2.397 16.108 ( -0.716 0.000 0.000) 0.716 16.108 ( 0.716 0.000 0.000) 0.716 16.231 ( -2.804 0.000 0.000) 2.804 16.231 ( 2.804 0.000 0.000) 2.804 18.766 ( -4.970 0.000 0.000) 4.970 18.766 ( 4.970 0.000 0.000) 4.970 19.869 ( -9.363 0.000 0.000) 9.363 19.869 ( 9.363 0.000 0.000) 9.363 20.080 ( -0.182 0.000 0.000) 0.182 20.080 ( 0.182 0.000 0.000) 0.182 20.445 ( -0.128 0.000 0.000) 0.128 20.445 ( 0.128 0.000 0.000) 0.128 21.083 ( -11.439 0.000 0.000) 11.439 21.083 ( 11.439 0.000 0.000) 11.439 21.259 ( -10.872 0.000 0.000) 10.872 21.259 ( 10.872 0.000 0.000) 10.872 24.084 ( -0.841 0.000 0.000) 0.841 24.084 ( 0.841 0.000 0.000) 0.841 24.492 ( -0.392 0.000 0.000) 0.392 24.492 ( 0.392 0.000 0.000) 0.392 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.000 25.410 0.000) 25.410 0.593 ( 0.000 31.121 0.000) 31.121 1.058 ( 0.000 55.014 0.000) 55.014 1.549 ( 0.000 -5.990 0.000) 5.990 1.861 ( 0.000 3.636 0.000) 3.636 1.960 ( 0.000 4.723 0.000) 4.723 1.984 ( 0.000 -1.431 0.000) 1.431 2.027 ( 0.000 -2.211 0.000) 2.211 2.336 ( 0.000 -3.026 0.000) 3.026 2.673 ( 0.000 -7.288 0.000) 7.288 2.733 ( 0.000 -13.016 0.000) 13.016 2.763 ( 0.000 9.833 0.000) 9.833 2.824 ( 0.000 7.512 0.000) 7.512 2.918 ( 0.000 3.090 0.000) 3.090 3.182 ( 0.000 8.518 0.000) 8.518 3.189 ( 0.000 3.725 0.000) 3.725 3.301 ( 0.000 1.929 0.000) 1.929 3.415 ( 0.000 3.815 0.000) 3.815 3.447 ( 0.000 -10.087 0.000) 10.087 3.593 ( 0.000 -0.034 0.000) 0.034 3.613 ( 0.000 -1.789 0.000) 1.789 3.688 ( 0.000 0.532 0.000) 0.532 3.717 ( 0.000 -1.887 0.000) 1.887 3.730 ( 0.000 0.787 0.000) 0.787 3.760 ( 0.000 -0.651 0.000) 0.651 3.943 ( 0.000 -1.355 0.000) 1.355 4.012 ( 0.000 -13.836 0.000) 13.836 4.271 ( 0.000 1.096 0.000) 1.096 4.311 ( 0.000 5.767 0.000) 5.767 4.580 ( 0.000 -3.933 0.000) 3.933 4.664 ( 0.000 3.427 0.000) 3.427 4.762 ( 0.000 0.071 0.000) 0.071 5.213 ( 0.000 8.241 0.000) 8.241 5.425 ( 0.000 7.885 0.000) 7.885 5.590 ( 0.000 -2.910 0.000) 2.910 5.610 ( 0.000 -2.447 0.000) 2.447 5.806 ( 0.000 4.001 0.000) 4.001 5.958 ( 0.000 -6.376 0.000) 6.376 5.959 ( 0.000 3.576 0.000) 3.576 6.661 ( 0.000 1.253 0.000) 1.253 6.782 ( 0.000 -0.699 0.000) 0.699 6.842 ( 0.000 -13.218 0.000) 13.218 7.370 ( 0.000 1.672 0.000) 1.672 7.410 ( 0.000 3.978 0.000) 3.978 7.586 ( 0.000 -2.512 0.000) 2.512 7.782 ( 0.000 3.202 0.000) 3.202 8.056 ( 0.000 -7.841 0.000) 7.841 8.242 ( 0.000 -4.324 0.000) 4.324 8.334 ( 0.000 -4.723 0.000) 4.723 8.442 ( 0.000 3.173 0.000) 3.173 8.445 ( 0.000 -5.589 0.000) 5.589 8.465 ( 0.000 0.753 0.000) 0.753 8.838 ( 0.000 4.020 0.000) 4.020 9.154 ( 0.000 5.968 0.000) 5.968 9.234 ( 0.000 -2.846 0.000) 2.846 9.511 ( 0.000 8.428 0.000) 8.428 9.834 ( 0.000 2.906 0.000) 2.906 9.846 ( 0.000 2.075 0.000) 2.075 9.909 ( 0.000 4.673 0.000) 4.673 9.985 ( 0.000 -8.077 0.000) 8.077 10.092 ( 0.000 -5.519 0.000) 5.519 10.178 ( 0.000 -1.241 0.000) 1.241 10.270 ( 0.000 -0.935 0.000) 0.935 10.388 ( 0.000 0.705 0.000) 0.705 10.728 ( 0.000 8.806 0.000) 8.806 10.809 ( 0.000 1.053 0.000) 1.053 10.844 ( 0.000 -1.066 0.000) 1.066 10.946 ( 0.000 -4.521 0.000) 4.521 11.037 ( 0.000 -2.172 0.000) 2.172 11.117 ( 0.000 0.782 0.000) 0.782 11.344 ( 0.000 1.343 0.000) 1.343 11.544 ( 0.000 -8.776 0.000) 8.776 11.595 ( 0.000 -5.719 0.000) 5.719 11.961 ( 0.000 1.066 0.000) 1.066 12.066 ( 0.000 -8.717 0.000) 8.717 12.080 ( 0.000 -2.570 0.000) 2.570 12.470 ( 0.000 5.128 0.000) 5.128 12.602 ( 0.000 -0.460 0.000) 0.460 12.617 ( 0.000 -0.006 0.000) 0.006 12.855 ( 0.000 1.066 0.000) 1.066 12.900 ( 0.000 5.413 0.000) 5.413 13.177 ( 0.000 9.301 0.000) 9.301 13.297 ( 0.000 -3.855 0.000) 3.855 13.422 ( 0.000 3.852 0.000) 3.852 13.530 ( 0.000 1.250 0.000) 1.250 13.564 ( 0.000 -0.016 0.000) 0.016 13.612 ( 0.000 -0.324 0.000) 0.324 13.613 ( 0.000 -0.173 0.000) 0.173 13.625 ( 0.000 5.208 0.000) 5.208 13.834 ( 0.000 -2.905 0.000) 2.905 13.988 ( 0.000 -2.020 0.000) 2.020 14.038 ( 0.000 -4.810 0.000) 4.810 14.766 ( 0.000 1.231 0.000) 1.231 14.885 ( 0.000 -0.675 0.000) 0.675 15.398 ( 0.000 3.201 0.000) 3.201 15.671 ( 0.000 0.952 0.000) 0.952 15.788 ( 0.000 -3.206 0.000) 3.206 15.827 ( 0.000 -2.036 0.000) 2.036 15.901 ( 0.000 2.067 0.000) 2.067 15.904 ( 0.000 1.229 0.000) 1.229 16.067 ( 0.000 -1.575 0.000) 1.575 16.098 ( 0.000 2.435 0.000) 2.435 16.126 ( 0.000 -1.215 0.000) 1.215 16.281 ( 0.000 -0.992 0.000) 0.992 18.425 ( 0.000 2.511 0.000) 2.511 18.581 ( 0.000 -0.173 0.000) 0.173 18.839 ( 0.000 4.774 0.000) 4.774 19.584 ( 0.000 -7.333 0.000) 7.333 20.067 ( 0.000 -0.008 0.000) 0.008 20.077 ( 0.000 -0.192 0.000) 0.192 20.448 ( 0.000 0.126 0.000) 0.126 20.455 ( 0.000 0.024 0.000) 0.024 20.462 ( 0.000 -0.762 0.000) 0.762 20.514 ( 0.000 -1.362 0.000) 1.362 21.731 ( 0.000 6.745 0.000) 6.745 22.641 ( 0.000 -10.177 0.000) 10.177 24.070 ( 0.000 6.427 0.000) 6.427 24.106 ( 0.000 2.743 0.000) 2.743 24.382 ( 0.000 -3.173 0.000) 3.173 24.512 ( 0.000 -0.878 0.000) 0.878 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 16.508 19.693 0.000) 25.697 0.820 ( 26.025 14.265 0.000) 29.678 1.392 ( 25.906 40.774 0.000) 48.308 1.582 ( 3.187 -5.298 0.000) 6.183 1.828 ( -2.404 2.241 0.000) 3.287 2.022 ( 2.395 -1.202 0.000) 2.680 2.046 ( 4.636 -1.756 0.000) 4.958 2.104 ( 10.564 2.570 0.000) 10.872 2.332 ( -0.254 -2.535 0.000) 2.548 2.656 ( -6.059 -2.450 0.000) 6.536 2.700 ( -4.760 2.790 0.000) 5.517 2.744 ( -7.844 0.853 0.000) 7.890 2.759 ( 0.885 -4.963 0.000) 5.041 2.811 ( -3.936 6.460 0.000) 7.565 3.138 ( -4.255 7.335 0.000) 8.480 3.179 ( 0.292 -1.964 0.000) 1.985 3.300 ( -2.157 2.230 0.000) 3.103 3.387 ( -4.571 -4.970 0.000) 6.752 3.414 ( 0.017 4.416 0.000) 4.416 3.604 ( -2.006 -1.943 0.000) 2.793 3.610 ( -3.611 0.708 0.000) 3.680 3.632 ( 2.218 0.338 0.000) 2.243 3.705 ( -0.876 2.086 0.000) 2.263 3.762 ( 0.006 0.133 0.000) 0.133 3.765 ( 0.152 -0.686 0.000) 0.703 3.924 ( -1.526 -0.730 0.000) 1.692 4.032 ( -2.349 -2.898 0.000) 3.730 4.134 ( -0.015 -5.194 0.000) 5.194 4.288 ( 1.798 0.558 0.000) 1.883 4.554 ( 3.048 3.582 0.000) 4.703 4.698 ( 3.155 2.029 0.000) 3.751 4.779 ( 1.671 0.305 0.000) 1.699 5.205 ( -0.832 8.450 0.000) 8.491 5.362 ( -5.318 7.344 0.000) 9.067 5.551 ( -5.755 3.907 0.000) 6.956 5.619 ( -1.740 -2.450 0.000) 3.005 5.757 ( -2.930 2.890 0.000) 4.116 6.019 ( -2.274 -5.427 0.000) 5.884 6.052 ( 8.615 -6.091 0.000) 10.550 6.783 ( 3.962 -2.305 0.000) 4.584 6.785 ( -5.571 -12.427 0.000) 13.619 6.850 ( 7.875 -5.169 0.000) 9.420 7.285 ( -7.047 2.967 0.000) 7.646 7.438 ( 2.914 3.787 0.000) 4.778 7.638 ( 4.949 -3.534 0.000) 6.081 7.756 ( -6.794 2.680 0.000) 7.303 8.002 ( -5.736 -5.726 0.000) 8.105 8.059 ( -14.728 3.996 0.000) 15.260 8.277 ( 3.010 -3.189 0.000) 4.385 8.462 ( 2.724 -2.376 0.000) 3.615 8.466 ( 2.627 2.108 0.000) 3.368 8.497 ( 3.057 -0.466 0.000) 3.093 8.829 ( -0.834 4.534 0.000) 4.610 9.100 ( -10.277 -0.930 0.000) 10.319 9.154 ( 3.005 4.024 0.000) 5.022 9.506 ( 0.358 7.777 0.000) 7.785 9.866 ( -2.545 1.929 0.000) 3.194 9.877 ( 1.413 0.565 0.000) 1.521 9.994 ( 0.301 -5.097 0.000) 5.106 10.021 ( 8.398 -1.590 0.000) 8.547 10.066 ( 1.701 -2.071 0.000) 2.680 10.109 ( -7.483 -4.680 0.000) 8.826 10.312 ( 3.362 -1.266 0.000) 3.592 10.396 ( 1.013 -1.244 0.000) 1.604 10.694 ( -0.542 8.375 0.000) 8.392 10.786 ( -4.961 -1.109 0.000) 5.083 10.901 ( -4.255 -3.576 0.000) 5.558 10.928 ( 11.645 3.334 0.000) 12.113 11.177 ( 6.013 -9.838 0.000) 11.530 11.177 ( 6.083 1.391 0.000) 6.240 11.329 ( -1.195 1.965 0.000) 2.300 11.603 ( 0.621 -0.160 0.000) 0.641 11.608 ( 4.629 -7.548 0.000) 8.854 11.968 ( 1.496 1.712 0.000) 2.274 12.015 ( -5.400 -8.852 0.000) 10.369 12.141 ( 5.551 -2.836 0.000) 6.234 12.451 ( -1.838 5.038 0.000) 5.362 12.601 ( -0.324 -0.611 0.000) 0.692 12.623 ( 0.393 0.088 0.000) 0.403 12.812 ( -4.458 1.587 0.000) 4.732 12.997 ( 7.749 1.006 0.000) 7.814 13.179 ( 0.423 8.116 0.000) 8.127 13.319 ( 2.022 -3.490 0.000) 4.033 13.412 ( -0.741 3.638 0.000) 3.713 13.494 ( -4.315 1.190 0.000) 4.476 13.551 ( 0.250 0.501 0.000) 0.560 13.593 ( -1.516 7.020 0.000) 7.182 13.605 ( -0.408 -0.478 0.000) 0.629 13.651 ( 2.778 -0.487 0.000) 2.820 13.815 ( -1.864 -2.989 0.000) 3.523 13.950 ( -3.805 -1.608 0.000) 4.131 14.006 ( -3.229 -4.609 0.000) 5.627 14.766 ( 0.191 1.088 0.000) 1.105 14.869 ( -1.490 -0.459 0.000) 1.559 15.244 ( -11.555 13.613 0.000) 17.856 15.410 ( -8.765 5.219 0.000) 10.201 15.678 ( 0.775 0.875 0.000) 1.169 15.815 ( -1.214 -1.632 0.000) 2.034 15.906 ( 0.701 1.491 0.000) 1.648 16.020 ( 1.557 -1.932 0.000) 2.481 16.082 ( 0.312 -0.625 0.000) 0.699 16.097 ( -0.301 0.075 0.000) 0.311 16.121 ( 2.311 1.970 0.000) 3.036 16.279 ( -0.251 -0.869 0.000) 0.904 18.503 ( 7.379 3.230 0.000) 8.055 18.816 ( 2.891 4.123 0.000) 5.035 19.419 ( 21.614 -31.422 0.000) 38.138 19.718 ( 18.315 -21.955 0.000) 28.592 20.069 ( 0.251 0.015 0.000) 0.251 20.078 ( 0.132 -0.145 0.000) 0.196 20.447 ( -0.119 0.085 0.000) 0.146 20.453 ( -0.200 -0.004 0.000) 0.200 20.480 ( 7.760 -1.973 0.000) 8.007 20.625 ( 8.751 -2.171 0.000) 9.016 21.647 ( -8.396 6.020 0.000) 10.331 22.200 ( -30.174 11.464 0.000) 32.278 24.077 ( 1.019 5.555 0.000) 5.648 24.111 ( 0.595 3.664 0.000) 3.712 24.411 ( 1.661 -4.634 0.000) 4.923 24.511 ( -0.426 -1.121 0.000) 1.200 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 24.856 5.617 0.000) 25.482 1.344 ( 26.301 5.758 0.000) 26.924 1.658 ( 4.332 -3.671 0.000) 5.678 1.784 ( -2.136 0.869 0.000) 2.306 1.831 ( 15.217 21.812 0.000) 26.595 2.018 ( -4.266 -2.454 0.000) 4.921 2.031 ( -6.673 -0.032 0.000) 6.673 2.339 ( 1.375 -0.565 0.000) 1.486 2.383 ( 9.756 4.320 0.000) 10.670 2.506 ( -5.418 4.238 0.000) 6.879 2.555 ( -9.307 5.928 0.000) 11.035 2.572 ( -1.545 -3.580 0.000) 3.899 2.805 ( 3.934 -4.931 0.000) 6.308 2.845 ( 4.559 7.167 0.000) 8.494 3.032 ( -6.309 4.474 0.000) 7.735 3.172 ( -4.116 -6.161 0.000) 7.410 3.249 ( -0.028 -5.534 0.000) 5.534 3.352 ( 1.031 3.160 0.000) 3.324 3.422 ( 1.017 4.771 0.000) 4.878 3.479 ( -5.488 5.179 0.000) 7.546 3.530 ( -4.480 1.740 0.000) 4.806 3.632 ( -4.235 -0.033 0.000) 4.235 3.720 ( 1.641 0.538 0.000) 1.727 3.763 ( -0.399 -0.805 0.000) 0.898 3.816 ( 1.660 -3.232 0.000) 3.633 3.883 ( -1.942 -4.455 0.000) 4.860 3.994 ( 0.848 4.166 0.000) 4.251 4.136 ( -2.032 -3.549 0.000) 4.090 4.425 ( 9.364 -5.604 0.000) 10.913 4.607 ( 0.996 1.528 0.000) 1.824 4.767 ( 3.568 -0.157 0.000) 3.571 4.815 ( 1.612 0.194 0.000) 1.624 5.187 ( -0.711 8.908 0.000) 8.937 5.259 ( -4.730 7.552 0.000) 8.911 5.474 ( -0.071 4.258 0.000) 4.258 5.572 ( -2.349 -2.430 0.000) 3.380 5.677 ( -4.438 2.766 0.000) 5.229 5.879 ( -10.579 -2.262 0.000) 10.819 6.248 ( 10.962 -6.797 0.000) 12.898 6.644 ( -8.756 -10.610 0.000) 13.756 6.863 ( 4.598 -0.836 0.000) 4.674 6.953 ( 2.771 -4.294 0.000) 5.111 7.165 ( -3.554 5.166 0.000) 6.270 7.487 ( -16.047 6.311 0.000) 17.244 7.522 ( 5.781 3.122 0.000) 6.570 7.756 ( 6.541 -4.836 0.000) 8.134 7.847 ( -9.617 -1.614 0.000) 9.752 7.942 ( -2.605 -2.212 0.000) 3.417 8.348 ( 3.822 -1.716 0.000) 4.190 8.468 ( -1.918 -0.686 0.000) 2.037 8.538 ( 4.218 -1.172 0.000) 4.378 8.565 ( 3.373 -2.581 0.000) 4.248 8.810 ( -0.936 5.559 0.000) 5.637 8.921 ( -7.610 1.573 0.000) 7.771 9.290 ( 10.160 -3.803 0.000) 10.848 9.534 ( 1.975 5.398 0.000) 5.748 9.823 ( -1.034 1.184 0.000) 1.572 9.848 ( -3.786 -0.270 0.000) 3.795 9.891 ( -10.503 -12.363 0.000) 16.222 9.945 ( -6.119 -2.530 0.000) 6.622 10.086 ( 5.937 9.032 0.000) 10.808 10.306 ( 11.945 -5.749 0.000) 13.257 10.314 ( -3.396 5.591 0.000) 6.542 10.427 ( 1.914 -4.739 0.000) 5.111 10.694 ( -3.559 0.785 0.000) 3.645 10.795 ( 9.245 0.876 0.000) 9.286 10.800 ( -5.870 -1.508 0.000) 6.061 11.085 ( 1.368 -2.240 0.000) 2.625 11.231 ( 2.464 -0.546 0.000) 2.524 11.334 ( 9.565 2.007 0.000) 9.773 11.337 ( 1.538 -0.296 0.000) 1.566 11.627 ( 2.585 2.099 0.000) 3.330 11.637 ( -2.659 -3.848 0.000) 4.677 11.876 ( -8.256 -6.562 0.000) 10.546 12.048 ( 6.643 2.223 0.000) 7.005 12.242 ( 2.358 -1.601 0.000) 2.850 12.426 ( 1.284 3.361 0.000) 3.598 12.602 ( 0.469 -0.614 0.000) 0.773 12.625 ( -0.185 -0.118 0.000) 0.219 12.691 ( -7.661 1.721 0.000) 7.852 13.147 ( 7.209 1.123 0.000) 7.296 13.204 ( 2.456 5.769 0.000) 6.270 13.330 ( -1.953 1.295 0.000) 2.343 13.389 ( -6.082 2.045 0.000) 6.416 13.436 ( 4.191 -1.089 0.000) 4.330 13.564 ( 0.819 0.419 0.000) 0.920 13.581 ( -0.376 3.489 0.000) 3.509 13.595 ( -0.683 -0.267 0.000) 0.734 13.719 ( 4.348 -1.444 0.000) 4.581 13.770 ( -2.313 -2.531 0.000) 3.428 13.855 ( -5.466 -0.450 0.000) 5.485 13.922 ( -5.239 -3.916 0.000) 6.541 14.777 ( 0.935 0.677 0.000) 1.154 14.835 ( -1.887 0.001 0.000) 1.887 15.145 ( -0.487 7.514 0.000) 7.530 15.276 ( -6.062 2.773 0.000) 6.666 15.702 ( 1.679 0.576 0.000) 1.775 15.783 ( -2.063 -0.794 0.000) 2.210 15.931 ( 1.835 0.976 0.000) 2.078 16.014 ( -1.691 0.379 0.000) 1.733 16.082 ( 0.631 -0.930 0.000) 1.124 16.106 ( 0.149 -0.747 0.000) 0.761 16.177 ( 3.131 1.023 0.000) 3.294 16.267 ( -1.155 -0.492 0.000) 1.255 18.670 ( 8.864 4.304 0.000) 9.854 18.853 ( 0.341 4.671 0.000) 4.683 19.590 ( 6.330 -13.642 0.000) 15.039 19.863 ( -3.516 -18.903 0.000) 19.227 20.075 ( 0.319 0.053 0.000) 0.324 20.081 ( 0.069 -0.041 0.000) 0.080 20.444 ( -0.072 -0.005 0.000) 0.072 20.449 ( -0.252 -0.056 0.000) 0.258 20.787 ( 18.362 -5.523 0.000) 19.175 20.842 ( 14.587 -3.933 0.000) 15.108 21.428 ( -13.419 4.411 0.000) 14.125 21.687 ( -23.504 8.759 0.000) 25.083 24.103 ( 1.409 4.419 0.000) 4.638 24.123 ( 0.479 3.815 0.000) 3.845 24.440 ( 1.429 -3.677 0.000) 3.945 24.494 ( -1.194 -1.495 0.000) 1.914 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -23.058 2.150 0.000) 23.158 1.625 ( 23.058 2.150 0.000) 23.158 1.708 ( -4.476 -2.018 0.000) 4.909 1.708 ( 4.476 -2.018 0.000) 4.909 1.822 ( -13.983 0.856 0.000) 14.010 1.822 ( 13.983 0.856 0.000) 14.010 2.201 ( -14.789 8.393 0.000) 17.005 2.201 ( 14.789 8.393 0.000) 17.005 2.400 ( -5.544 2.799 0.000) 6.211 2.400 ( 5.544 2.799 0.000) 6.211 2.590 ( -4.876 1.277 0.000) 5.041 2.590 ( 4.876 1.277 0.000) 5.041 2.907 ( -6.306 0.138 0.000) 6.308 2.907 ( 6.306 0.138 0.000) 6.308 3.016 ( -11.078 -1.995 0.000) 11.257 3.016 ( 11.078 -1.995 0.000) 11.257 3.337 ( -5.844 1.478 0.000) 6.028 3.337 ( 5.844 1.478 0.000) 6.028 3.458 ( -2.804 4.076 0.000) 4.947 3.458 ( 2.804 4.076 0.000) 4.947 3.473 ( -6.775 5.306 0.000) 8.606 3.473 ( 6.775 5.306 0.000) 8.606 3.749 ( -1.144 -0.548 0.000) 1.268 3.749 ( 1.144 -0.548 0.000) 1.268 3.849 ( -2.125 -7.470 0.000) 7.766 3.849 ( 2.125 -7.470 0.000) 7.766 4.061 ( -4.803 1.623 0.000) 5.070 4.061 ( 4.803 1.623 0.000) 5.070 4.570 ( -4.910 -2.454 0.000) 5.490 4.570 ( 4.910 -2.454 0.000) 5.490 4.819 ( -1.446 -0.652 0.000) 1.586 4.819 ( 1.446 -0.652 0.000) 1.586 5.194 ( -1.842 8.647 0.000) 8.841 5.194 ( 1.842 8.647 0.000) 8.841 5.528 ( -3.057 -0.444 0.000) 3.089 5.528 ( 3.057 -0.444 0.000) 3.089 5.680 ( -7.281 1.570 0.000) 7.449 5.680 ( 7.281 1.570 0.000) 7.449 6.457 ( -10.466 -8.512 0.000) 13.490 6.457 ( 10.466 -8.512 0.000) 13.490 6.942 ( -3.234 -2.161 0.000) 3.890 6.942 ( 3.234 -2.161 0.000) 3.890 7.227 ( -9.774 6.305 0.000) 11.631 7.227 ( 9.774 6.305 0.000) 11.631 7.663 ( -8.790 1.477 0.000) 8.913 7.663 ( 8.790 1.477 0.000) 8.913 7.871 ( -5.003 -4.569 0.000) 6.775 7.871 ( 5.003 -4.569 0.000) 6.775 8.415 ( -3.170 -0.295 0.000) 3.184 8.415 ( 3.170 -0.295 0.000) 3.184 8.596 ( -0.934 -4.181 0.000) 4.284 8.596 ( 0.934 -4.181 0.000) 4.284 8.819 ( -2.726 5.416 0.000) 6.064 8.819 ( 2.726 5.416 0.000) 6.064 9.491 ( -8.521 -4.185 0.000) 9.493 9.491 ( 8.521 -4.185 0.000) 9.493 9.781 ( -1.518 -3.089 0.000) 3.442 9.781 ( 1.518 -3.089 0.000) 3.442 9.845 ( -3.481 -0.649 0.000) 3.541 9.845 ( 3.481 -0.649 0.000) 3.541 10.212 ( -6.471 9.664 0.000) 11.630 10.212 ( 6.471 9.664 0.000) 11.630 10.443 ( -1.733 -8.738 0.000) 8.908 10.443 ( 1.733 -8.738 0.000) 8.908 10.693 ( -3.990 2.040 0.000) 4.482 10.693 ( 3.990 2.040 0.000) 4.482 10.982 ( -9.049 -3.396 0.000) 9.665 10.982 ( 9.049 -3.396 0.000) 9.665 11.316 ( -3.929 1.748 0.000) 4.300 11.316 ( 3.929 1.748 0.000) 4.300 11.519 ( -8.768 0.369 0.000) 8.776 11.519 ( 8.768 0.369 0.000) 8.776 11.723 ( -7.078 -2.270 0.000) 7.433 11.723 ( 7.078 -2.270 0.000) 7.433 12.185 ( -6.447 1.765 0.000) 6.684 12.185 ( 6.447 1.765 0.000) 6.684 12.535 ( -8.055 0.829 0.000) 8.098 12.535 ( 8.055 0.829 0.000) 8.098 12.615 ( -0.751 -0.470 0.000) 0.886 12.615 ( 0.751 -0.470 0.000) 0.886 13.263 ( -4.783 2.239 0.000) 5.281 13.263 ( 4.783 2.239 0.000) 5.281 13.278 ( -5.057 3.630 0.000) 6.225 13.278 ( 5.057 3.630 0.000) 6.225 13.535 ( -4.737 -1.491 0.000) 4.966 13.535 ( 4.737 -1.491 0.000) 4.966 13.580 ( -0.838 0.089 0.000) 0.843 13.580 ( 0.838 0.089 0.000) 0.843 13.768 ( -2.746 -0.119 0.000) 2.749 13.768 ( 2.746 -0.119 0.000) 2.749 13.815 ( -5.505 -2.739 0.000) 6.148 13.815 ( 5.505 -2.739 0.000) 6.148 14.801 ( -1.527 0.376 0.000) 1.572 14.801 ( 1.527 0.376 0.000) 1.572 15.180 ( -3.653 3.835 0.000) 5.296 15.180 ( 3.653 3.835 0.000) 5.296 15.740 ( -2.203 0.003 0.000) 2.203 15.740 ( 2.203 0.003 0.000) 2.203 15.973 ( -2.356 0.830 0.000) 2.498 15.973 ( 2.356 0.830 0.000) 2.498 16.098 ( -0.827 -0.961 0.000) 1.268 16.098 ( 0.827 -0.961 0.000) 1.268 16.232 ( -2.422 0.146 0.000) 2.426 16.232 ( 2.422 0.146 0.000) 2.426 18.810 ( -4.997 4.674 0.000) 6.842 18.810 ( 4.997 4.674 0.000) 6.842 19.732 ( -8.090 -13.231 0.000) 15.509 19.732 ( 8.090 -13.231 0.000) 15.509 20.080 ( -0.158 0.043 0.000) 0.163 20.080 ( 0.158 0.043 0.000) 0.163 20.445 ( -0.116 -0.067 0.000) 0.134 20.445 ( 0.116 -0.067 0.000) 0.134 21.059 ( -7.299 -2.308 0.000) 7.655 21.059 ( 7.299 -2.308 0.000) 7.655 21.295 ( -12.961 3.227 0.000) 13.357 21.295 ( 12.961 3.227 0.000) 13.357 24.123 ( -0.553 3.895 0.000) 3.935 24.123 ( 0.553 3.895 0.000) 3.935 24.468 ( -1.457 -2.443 0.000) 2.845 24.468 ( 1.457 -2.443 0.000) 2.845 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.000 19.432 0.000) 19.432 1.149 ( 0.000 27.880 0.000) 27.880 1.411 ( 0.000 -8.570 0.000) 8.570 1.905 ( 0.000 -7.827 0.000) 7.827 1.935 ( 0.000 3.844 0.000) 3.844 1.974 ( 0.000 0.711 0.000) 0.711 2.024 ( 0.000 42.294 0.000) 42.294 2.079 ( 0.000 7.730 0.000) 7.730 2.283 ( 0.000 -1.936 0.000) 1.936 2.490 ( 0.000 -12.341 0.000) 12.341 2.501 ( 0.000 -8.749 0.000) 8.749 2.981 ( 0.000 12.354 0.000) 12.354 2.998 ( 0.000 7.293 0.000) 7.293 3.047 ( 0.000 13.692 0.000) 13.692 3.228 ( 0.000 -13.506 0.000) 13.506 3.269 ( 0.000 4.568 0.000) 4.568 3.273 ( 0.000 0.285 0.000) 0.285 3.305 ( 0.000 -2.097 0.000) 2.097 3.502 ( 0.000 4.981 0.000) 4.981 3.538 ( 0.000 -9.249 0.000) 9.249 3.589 ( 0.000 -0.355 0.000) 0.355 3.665 ( 0.000 -20.380 0.000) 20.380 3.695 ( 0.000 -0.140 0.000) 0.140 3.708 ( 0.000 1.815 0.000) 1.815 3.731 ( 0.000 -0.780 0.000) 0.780 3.741 ( 0.000 -1.395 0.000) 1.395 3.949 ( 0.000 3.359 0.000) 3.359 4.249 ( 0.000 -4.803 0.000) 4.803 4.409 ( 0.000 4.295 0.000) 4.295 4.503 ( 0.000 -3.185 0.000) 3.185 4.727 ( 0.000 2.811 0.000) 2.811 4.765 ( 0.000 0.177 0.000) 0.177 5.409 ( 0.000 11.306 0.000) 11.306 5.545 ( 0.000 -1.527 0.000) 1.527 5.564 ( 0.000 -2.155 0.000) 2.155 5.660 ( 0.000 17.700 0.000) 17.700 5.802 ( 0.000 -9.715 0.000) 9.715 5.894 ( 0.000 4.988 0.000) 4.988 6.005 ( 0.000 0.632 0.000) 0.632 6.504 ( 0.000 -21.993 0.000) 21.993 6.693 ( 0.000 2.025 0.000) 2.025 6.762 ( 0.000 -1.412 0.000) 1.412 7.411 ( 0.000 2.661 0.000) 2.661 7.521 ( 0.000 7.797 0.000) 7.797 7.528 ( 0.000 -3.446 0.000) 3.446 7.880 ( 0.000 7.321 0.000) 7.321 7.885 ( 0.000 -10.093 0.000) 10.093 8.159 ( 0.000 -4.139 0.000) 4.139 8.237 ( 0.000 -4.732 0.000) 4.732 8.298 ( 0.000 -9.205 0.000) 9.205 8.484 ( 0.000 1.161 0.000) 1.161 8.490 ( 0.000 1.635 0.000) 1.635 8.935 ( 0.000 6.043 0.000) 6.043 9.159 ( 0.000 -5.040 0.000) 5.040 9.316 ( 0.000 10.904 0.000) 10.904 9.700 ( 0.000 10.954 0.000) 10.954 9.782 ( 0.000 -11.842 0.000) 11.842 9.867 ( 0.000 1.023 0.000) 1.023 9.922 ( 0.000 4.020 0.000) 4.020 9.984 ( 0.000 -5.455 0.000) 5.455 10.055 ( 0.000 9.614 0.000) 9.614 10.122 ( 0.000 -3.807 0.000) 3.807 10.229 ( 0.000 -3.720 0.000) 3.720 10.360 ( 0.000 -4.187 0.000) 4.187 10.822 ( 0.000 -1.007 0.000) 1.007 10.838 ( 0.000 2.185 0.000) 2.185 10.862 ( 0.000 -3.774 0.000) 3.774 10.947 ( 0.000 13.584 0.000) 13.584 10.973 ( 0.000 -4.359 0.000) 4.359 11.142 ( 0.000 2.343 0.000) 2.343 11.361 ( 0.000 -9.496 0.000) 9.496 11.395 ( 0.000 -0.486 0.000) 0.486 11.466 ( 0.000 -2.792 0.000) 2.792 11.857 ( 0.000 -12.837 0.000) 12.837 11.985 ( 0.000 1.386 0.000) 1.386 12.040 ( 0.000 -1.737 0.000) 1.737 12.592 ( 0.000 7.317 0.000) 7.317 12.598 ( 0.000 0.131 0.000) 0.131 12.614 ( 0.000 -0.357 0.000) 0.357 12.825 ( 0.000 -3.881 0.000) 3.881 13.014 ( 0.000 6.258 0.000) 6.258 13.217 ( 0.000 -4.620 0.000) 4.620 13.407 ( 0.000 13.287 0.000) 13.287 13.519 ( 0.000 6.167 0.000) 6.167 13.560 ( 0.000 1.852 0.000) 1.852 13.565 ( 0.000 0.046 0.000) 0.046 13.606 ( 0.000 -0.676 0.000) 0.676 13.608 ( 0.000 0.350 0.000) 0.350 13.727 ( 0.000 3.284 0.000) 3.284 13.763 ( 0.000 -2.481 0.000) 2.481 13.907 ( 0.000 -9.157 0.000) 9.157 13.933 ( 0.000 -3.874 0.000) 3.874 14.797 ( 0.000 1.947 0.000) 1.947 14.865 ( 0.000 -1.373 0.000) 1.373 15.481 ( 0.000 5.475 0.000) 5.475 15.697 ( 0.000 1.768 0.000) 1.768 15.705 ( 0.000 -5.453 0.000) 5.453 15.782 ( 0.000 -2.565 0.000) 2.565 15.936 ( 0.000 2.127 0.000) 2.127 15.955 ( 0.000 3.521 0.000) 3.521 16.028 ( 0.000 -2.411 0.000) 2.411 16.088 ( 0.000 -2.789 0.000) 2.789 16.152 ( 0.000 3.124 0.000) 3.124 16.253 ( 0.000 -1.968 0.000) 1.968 18.484 ( 0.000 3.359 0.000) 3.359 18.571 ( 0.000 -1.014 0.000) 1.014 18.971 ( 0.000 9.208 0.000) 9.208 19.401 ( 0.000 -11.636 0.000) 11.636 20.067 ( 0.000 0.046 0.000) 0.046 20.073 ( 0.000 -0.244 0.000) 0.244 20.450 ( 0.000 -0.299 0.000) 0.299 20.451 ( 0.000 0.178 0.000) 0.178 20.455 ( 0.000 -0.029 0.000) 0.029 20.482 ( 0.000 -1.770 0.000) 1.770 21.903 ( 0.000 11.338 0.000) 11.338 22.406 ( 0.000 -14.052 0.000) 14.052 24.150 ( 0.000 3.609 0.000) 3.609 24.234 ( 0.000 8.502 0.000) 8.502 24.309 ( 0.000 -4.374 0.000) 4.374 24.473 ( 0.000 -3.505 0.000) 3.505 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 16.254 14.165 0.000) 21.560 1.169 ( 4.166 24.789 0.000) 25.137 1.466 ( 5.256 -6.845 0.000) 8.630 1.879 ( -3.509 3.452 0.000) 4.923 1.907 ( 0.724 -11.032 0.000) 11.056 2.001 ( 0.244 -1.344 0.000) 1.366 2.100 ( 5.823 20.763 0.000) 21.564 2.269 ( 17.150 21.181 0.000) 27.253 2.300 ( 1.904 -0.213 0.000) 1.916 2.521 ( 2.900 -10.969 0.000) 11.346 2.573 ( 3.695 -4.814 0.000) 6.069 2.815 ( -12.159 6.451 0.000) 13.764 2.929 ( -5.100 11.619 0.000) 12.689 2.959 ( -7.883 6.832 0.000) 10.431 3.092 ( -4.564 -2.109 0.000) 5.028 3.209 ( -5.991 -0.393 0.000) 6.004 3.304 ( -2.519 -0.431 0.000) 2.555 3.397 ( 5.757 0.290 0.000) 5.764 3.517 ( 0.920 5.844 0.000) 5.916 3.555 ( 1.336 -4.106 0.000) 4.318 3.589 ( 0.021 0.491 0.000) 0.492 3.668 ( -0.230 -4.321 0.000) 4.327 3.719 ( -0.810 -0.595 0.000) 1.005 3.743 ( -0.062 -1.781 0.000) 1.782 3.754 ( 2.967 -4.447 0.000) 5.346 3.798 ( 3.227 -4.879 0.000) 5.849 3.892 ( -1.549 -3.900 0.000) 4.197 4.053 ( -9.756 -6.069 0.000) 11.490 4.377 ( -1.118 7.129 0.000) 7.216 4.571 ( 3.497 -1.645 0.000) 3.865 4.740 ( 1.334 2.187 0.000) 2.562 4.783 ( 1.642 0.008 0.000) 1.642 5.404 ( -0.466 11.459 0.000) 11.469 5.559 ( -0.649 -1.236 0.000) 1.396 5.562 ( -6.460 12.418 0.000) 13.998 5.582 ( -0.266 -2.132 0.000) 2.148 5.833 ( -4.834 5.086 0.000) 7.017 5.922 ( 8.726 -5.398 0.000) 10.260 5.964 ( -4.501 -1.548 0.000) 4.760 6.468 ( -3.540 -20.539 0.000) 20.842 6.762 ( 5.260 0.376 0.000) 5.273 6.808 ( 4.648 -1.349 0.000) 4.840 7.356 ( -4.856 4.508 0.000) 6.626 7.543 ( 2.203 7.245 0.000) 7.572 7.551 ( 2.281 -5.397 0.000) 5.859 7.815 ( -6.751 4.236 0.000) 7.970 7.866 ( -2.177 -8.443 0.000) 8.719 8.035 ( -11.509 -5.042 0.000) 12.565 8.239 ( 4.527 -0.350 0.000) 4.541 8.375 ( 3.945 -6.116 0.000) 7.278 8.489 ( 1.021 0.527 0.000) 1.149 8.504 ( 1.078 0.714 0.000) 1.294 8.929 ( -0.682 5.570 0.000) 5.611 9.072 ( -7.360 -2.095 0.000) 7.653 9.282 ( -2.434 9.308 0.000) 9.620 9.644 ( -4.401 1.945 0.000) 4.811 9.782 ( -0.839 -5.092 0.000) 5.161 9.909 ( 0.331 1.462 0.000) 1.499 9.930 ( -1.170 -0.017 0.000) 1.171 9.953 ( -0.305 -3.733 0.000) 3.745 10.075 ( 1.837 3.149 0.000) 3.645 10.131 ( 3.204 2.557 0.000) 4.099 10.279 ( 4.739 -2.587 0.000) 5.399 10.329 ( -2.509 -6.085 0.000) 6.582 10.777 ( -3.361 0.376 0.000) 3.382 10.820 ( -1.308 5.104 0.000) 5.269 10.837 ( -2.338 -2.745 0.000) 3.606 10.978 ( 5.270 -1.859 0.000) 5.589 11.101 ( 7.355 5.069 0.000) 8.933 11.219 ( 7.211 3.224 0.000) 7.899 11.413 ( -0.953 7.187 0.000) 7.250 11.447 ( 6.898 -8.716 0.000) 11.115 11.500 ( 5.207 -9.355 0.000) 10.707 11.816 ( -3.760 -11.858 0.000) 12.440 12.007 ( 2.719 2.257 0.000) 3.534 12.092 ( 4.883 -2.394 0.000) 5.438 12.570 ( -2.195 7.145 0.000) 7.474 12.594 ( -0.415 -0.034 0.000) 0.416 12.615 ( 0.141 -0.758 0.000) 0.771 12.793 ( -3.440 -3.398 0.000) 4.835 13.063 ( 4.989 4.967 0.000) 7.040 13.245 ( 2.886 -4.314 0.000) 5.191 13.384 ( -2.066 11.957 0.000) 12.134 13.503 ( -1.666 5.756 0.000) 5.992 13.520 ( -3.688 1.329 0.000) 3.921 13.566 ( 0.315 1.079 0.000) 1.124 13.594 ( -0.417 -0.605 0.000) 0.735 13.641 ( 2.094 -0.174 0.000) 2.102 13.698 ( -3.034 1.387 0.000) 3.336 13.754 ( -0.720 -0.536 0.000) 0.897 13.881 ( -2.509 -8.595 0.000) 8.954 13.904 ( -2.798 -3.262 0.000) 4.298 14.795 ( -0.117 1.801 0.000) 1.804 14.855 ( -1.020 -1.100 0.000) 1.500 15.403 ( -7.253 5.690 0.000) 9.219 15.500 ( -12.271 2.349 0.000) 12.494 15.702 ( 0.526 1.610 0.000) 1.694 15.778 ( -0.488 -2.213 0.000) 2.266 15.941 ( -0.224 1.950 0.000) 1.963 15.986 ( 2.187 -1.404 0.000) 2.599 16.064 ( 1.896 -0.763 0.000) 2.044 16.089 ( -0.220 -1.033 0.000) 1.056 16.167 ( 1.448 2.673 0.000) 3.040 16.255 ( 0.106 -1.727 0.000) 1.730 18.585 ( 9.446 5.425 0.000) 10.893 18.860 ( 16.416 -5.786 0.000) 17.406 19.039 ( 9.558 -0.787 0.000) 9.590 19.442 ( 4.158 -13.473 0.000) 14.100 20.070 ( 0.290 0.064 0.000) 0.297 20.075 ( 0.227 -0.194 0.000) 0.299 20.449 ( -0.203 0.133 0.000) 0.243 20.453 ( -0.249 -0.053 0.000) 0.255 20.486 ( 6.347 1.448 0.000) 6.511 20.576 ( 8.268 -2.923 0.000) 8.769 21.800 ( -10.322 9.897 0.000) 14.300 22.189 ( -19.919 -7.838 0.000) 21.405 24.160 ( 1.042 3.941 0.000) 4.076 24.233 ( -0.064 7.977 0.000) 7.977 24.325 ( 1.515 -4.631 0.000) 4.872 24.466 ( -0.736 -3.711 0.000) 3.784 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 15.083 15.127 0.000) 21.361 1.454 ( 17.877 5.100 0.000) 18.590 1.588 ( 6.562 -3.559 0.000) 7.465 1.818 ( -2.693 3.029 0.000) 4.053 1.929 ( -0.997 -10.669 0.000) 10.715 1.962 ( -4.324 -3.433 0.000) 5.521 2.145 ( -2.535 9.777 0.000) 10.100 2.357 ( 4.077 2.760 0.000) 4.923 2.468 ( -10.579 -2.253 0.000) 10.816 2.566 ( -0.570 -5.401 0.000) 5.431 2.592 ( 11.235 11.052 0.000) 15.760 2.642 ( -0.650 5.177 0.000) 5.217 2.830 ( -2.249 7.599 0.000) 7.925 2.971 ( 0.184 6.439 0.000) 6.442 3.066 ( -8.411 -1.353 0.000) 8.519 3.109 ( 7.974 7.495 0.000) 10.944 3.217 ( -1.827 -0.926 0.000) 2.049 3.446 ( -0.022 5.748 0.000) 5.748 3.531 ( 0.783 6.206 0.000) 6.255 3.546 ( -5.304 0.818 0.000) 5.367 3.581 ( -1.098 3.652 0.000) 3.813 3.630 ( 0.744 -0.822 0.000) 1.109 3.712 ( 0.230 -1.785 0.000) 1.800 3.715 ( -2.180 -4.205 0.000) 4.736 3.737 ( -0.549 -2.142 0.000) 2.211 3.793 ( -0.794 -7.063 0.000) 7.107 3.982 ( 4.450 -7.191 0.000) 8.457 4.034 ( 1.902 -5.806 0.000) 6.110 4.392 ( 3.799 3.902 0.000) 5.446 4.598 ( -1.397 -2.787 0.000) 3.118 4.776 ( 2.213 1.022 0.000) 2.438 4.813 ( 1.025 -0.459 0.000) 1.123 5.395 ( -0.327 11.890 0.000) 11.895 5.455 ( -4.274 12.253 0.000) 12.977 5.529 ( -2.734 0.815 0.000) 2.853 5.539 ( -1.130 -0.747 0.000) 1.355 5.735 ( -4.690 3.637 0.000) 5.935 5.840 ( -7.673 -1.805 0.000) 7.883 6.094 ( 8.763 -7.957 0.000) 11.837 6.377 ( -5.701 -16.850 0.000) 17.789 6.856 ( 4.284 0.265 0.000) 4.292 6.899 ( 3.389 -1.887 0.000) 3.879 7.280 ( -1.358 7.021 0.000) 7.151 7.547 ( -8.406 -2.705 0.000) 8.830 7.602 ( 3.888 5.231 0.000) 6.518 7.680 ( 0.151 0.166 0.000) 0.224 7.795 ( -4.972 -3.904 0.000) 6.322 7.870 ( -6.037 -5.403 0.000) 8.102 8.334 ( 4.725 0.416 0.000) 4.743 8.426 ( 0.970 -3.400 0.000) 3.535 8.521 ( 1.783 -0.729 0.000) 1.927 8.530 ( 1.659 -0.880 0.000) 1.877 8.904 ( -1.986 3.741 0.000) 4.236 8.942 ( -4.842 0.702 0.000) 4.893 9.271 ( 2.196 2.183 0.000) 3.097 9.531 ( -7.751 -8.085 0.000) 11.200 9.768 ( 0.590 3.001 0.000) 3.058 9.870 ( -1.715 3.095 0.000) 3.538 9.879 ( -3.306 1.045 0.000) 3.467 9.930 ( -3.303 2.845 0.000) 4.360 10.151 ( 5.207 -9.467 0.000) 10.804 10.246 ( 7.142 7.122 0.000) 10.086 10.286 ( -2.018 -9.761 0.000) 9.967 10.368 ( 3.039 0.546 0.000) 3.088 10.729 ( -1.166 2.457 0.000) 2.720 10.783 ( -2.973 -0.481 0.000) 3.012 10.840 ( 3.643 4.059 0.000) 5.454 11.035 ( -0.672 -3.912 0.000) 3.969 11.206 ( 3.851 1.343 0.000) 4.078 11.383 ( 8.816 3.260 0.000) 9.399 11.387 ( -2.138 1.813 0.000) 2.803 11.548 ( 2.329 -5.192 0.000) 5.690 11.601 ( 4.792 -3.212 0.000) 5.769 11.744 ( -3.031 -6.663 0.000) 7.320 12.099 ( 6.573 3.007 0.000) 7.228 12.203 ( 5.480 -2.384 0.000) 5.976 12.517 ( -2.381 5.786 0.000) 6.257 12.592 ( 0.304 -0.266 0.000) 0.404 12.614 ( -0.311 -0.988 0.000) 1.036 12.690 ( -7.036 -2.030 0.000) 7.323 13.189 ( 7.292 3.218 0.000) 7.970 13.320 ( 4.092 -2.576 0.000) 4.836 13.350 ( -0.812 8.690 0.000) 8.727 13.437 ( -4.480 2.744 0.000) 5.254 13.460 ( -2.171 3.627 0.000) 4.227 13.573 ( 0.391 0.512 0.000) 0.644 13.587 ( -0.358 -0.560 0.000) 0.665 13.613 ( -5.594 -1.554 0.000) 5.806 13.688 ( 2.778 -1.418 0.000) 3.119 13.746 ( 0.158 1.241 0.000) 1.251 13.819 ( -3.654 -6.741 0.000) 7.668 13.835 ( -3.926 -1.659 0.000) 4.262 14.797 ( 0.394 1.264 0.000) 1.324 14.832 ( -1.245 -0.390 0.000) 1.305 15.276 ( -4.114 5.592 0.000) 6.942 15.331 ( -6.141 2.362 0.000) 6.579 15.717 ( 1.063 1.030 0.000) 1.480 15.763 ( -1.020 -1.227 0.000) 1.596 15.955 ( 1.596 1.589 0.000) 2.252 16.013 ( 0.448 -0.781 0.000) 0.900 16.067 ( -0.619 -0.319 0.000) 0.696 16.090 ( -0.180 -0.979 0.000) 0.995 16.202 ( 1.959 1.513 0.000) 2.475 16.253 ( -0.438 -1.002 0.000) 1.094 18.788 ( 10.103 8.200 0.000) 13.011 18.982 ( 0.930 8.742 0.000) 8.792 19.281 ( 10.468 -16.741 0.000) 19.745 19.508 ( 0.498 -17.384 0.000) 17.392 20.076 ( 0.335 0.085 0.000) 0.346 20.080 ( 0.195 -0.073 0.000) 0.208 20.445 ( -0.178 0.027 0.000) 0.180 20.447 ( -0.288 -0.088 0.000) 0.301 20.732 ( 18.068 -0.464 0.000) 18.074 20.791 ( 13.790 -2.557 0.000) 14.025 21.536 ( -15.720 6.721 0.000) 17.097 21.744 ( -24.301 -1.762 0.000) 24.365 24.187 ( 1.534 4.522 0.000) 4.775 24.229 ( -0.437 6.680 0.000) 6.694 24.362 ( 2.191 -4.502 0.000) 5.007 24.443 ( -1.633 -3.908 0.000) 4.235 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -2.021 -1.784 0.000) 2.696 1.668 ( 2.021 -1.784 0.000) 2.696 1.702 ( -18.693 5.688 0.000) 19.539 1.702 ( 18.693 5.688 0.000) 19.539 1.837 ( -7.185 0.564 0.000) 7.207 1.837 ( 7.185 0.564 0.000) 7.207 2.230 ( -11.090 -5.496 0.000) 12.377 2.230 ( 11.090 -5.496 0.000) 12.377 2.465 ( -7.081 3.546 0.000) 7.920 2.465 ( 7.081 3.546 0.000) 7.920 2.705 ( -4.447 9.534 0.000) 10.520 2.705 ( 4.447 9.534 0.000) 10.520 2.903 ( -7.742 -0.606 0.000) 7.766 2.903 ( 7.742 -0.606 0.000) 7.766 3.011 ( -7.487 1.403 0.000) 7.617 3.011 ( 7.487 1.403 0.000) 7.617 3.393 ( -6.049 3.534 0.000) 7.006 3.393 ( 6.049 3.534 0.000) 7.006 3.553 ( -1.490 5.619 0.000) 5.813 3.553 ( 1.490 5.619 0.000) 5.813 3.583 ( -8.211 6.502 0.000) 10.473 3.583 ( 8.211 6.502 0.000) 10.473 3.721 ( -3.480 -5.512 0.000) 6.519 3.721 ( 3.480 -5.512 0.000) 6.519 3.723 ( -0.763 -2.376 0.000) 2.495 3.723 ( 0.763 -2.376 0.000) 2.495 4.034 ( -1.980 -4.525 0.000) 4.939 4.034 ( 1.980 -4.525 0.000) 4.939 4.512 ( -6.811 -2.971 0.000) 7.430 4.512 ( 6.811 -2.971 0.000) 7.430 4.812 ( -1.160 -0.141 0.000) 1.168 4.812 ( 1.160 -0.141 0.000) 1.168 5.402 ( -1.345 12.300 0.000) 12.373 5.402 ( 1.345 12.300 0.000) 12.373 5.518 ( -1.055 -0.545 0.000) 1.188 5.518 ( 1.055 -0.545 0.000) 1.188 5.714 ( -3.674 1.742 0.000) 4.066 5.714 ( 3.674 1.742 0.000) 4.066 6.251 ( -7.392 -12.246 0.000) 14.304 6.251 ( 7.392 -12.246 0.000) 14.304 6.915 ( -1.524 -0.819 0.000) 1.730 6.915 ( 1.524 -0.819 0.000) 1.730 7.349 ( -8.381 6.141 0.000) 10.391 7.349 ( 8.381 6.141 0.000) 10.391 7.692 ( -5.305 1.301 0.000) 5.462 7.692 ( 5.305 1.301 0.000) 5.462 7.761 ( -5.486 -6.434 0.000) 8.456 7.761 ( 5.486 -6.434 0.000) 8.456 8.408 ( -2.684 -0.423 0.000) 2.717 8.408 ( 2.684 -0.423 0.000) 2.717 8.546 ( -0.484 -1.266 0.000) 1.355 8.546 ( 0.484 -1.266 0.000) 1.355 8.887 ( -1.125 1.749 0.000) 2.080 8.887 ( 1.125 1.749 0.000) 2.080 9.371 ( -7.674 -6.175 0.000) 9.851 9.371 ( 7.674 -6.175 0.000) 9.851 9.811 ( -3.398 3.787 0.000) 5.088 9.811 ( 3.398 3.787 0.000) 5.088 9.871 ( -1.906 4.238 0.000) 4.647 9.871 ( 1.906 4.238 0.000) 4.647 10.237 ( -3.386 -12.271 0.000) 12.730 10.237 ( 3.386 -12.271 0.000) 12.730 10.360 ( -3.816 5.559 0.000) 6.743 10.360 ( 3.816 5.559 0.000) 6.743 10.735 ( -1.643 1.984 0.000) 2.576 10.735 ( 1.643 1.984 0.000) 2.576 10.949 ( -6.678 0.340 0.000) 6.687 10.949 ( 6.678 0.340 0.000) 6.687 11.302 ( -5.830 -3.219 0.000) 6.660 11.302 ( 5.830 -3.219 0.000) 6.660 11.522 ( -4.807 -0.009 0.000) 4.807 11.522 ( 4.807 -0.009 0.000) 4.807 11.687 ( -3.659 -1.211 0.000) 3.854 11.687 ( 3.659 -1.211 0.000) 3.854 12.222 ( -4.407 1.807 0.000) 4.763 12.222 ( 4.407 1.807 0.000) 4.763 12.548 ( -6.207 0.498 0.000) 6.227 12.548 ( 6.207 0.498 0.000) 6.227 12.603 ( -0.710 -0.701 0.000) 0.998 12.603 ( 0.710 -0.701 0.000) 0.998 13.315 ( -4.976 3.026 0.000) 5.824 13.315 ( 4.976 3.026 0.000) 5.824 13.366 ( -2.489 5.186 0.000) 5.752 13.366 ( 2.489 5.186 0.000) 5.752 13.495 ( -5.832 -2.589 0.000) 6.381 13.495 ( 5.832 -2.589 0.000) 6.381 13.580 ( -0.339 -0.134 0.000) 0.364 13.580 ( 0.339 -0.134 0.000) 0.364 13.749 ( -3.495 -3.943 0.000) 5.269 13.749 ( 3.495 -3.943 0.000) 5.269 13.770 ( -2.478 0.341 0.000) 2.502 13.770 ( 2.478 0.341 0.000) 2.502 14.810 ( -0.940 0.470 0.000) 1.051 14.810 ( 0.940 0.470 0.000) 1.051 15.255 ( -1.616 3.387 0.000) 3.753 15.255 ( 1.616 3.387 0.000) 3.753 15.741 ( -1.264 0.003 0.000) 1.264 15.741 ( 1.264 0.003 0.000) 1.264 15.993 ( -2.024 1.276 0.000) 2.393 15.993 ( 2.024 1.276 0.000) 2.393 16.075 ( -1.078 -1.430 0.000) 1.790 16.075 ( 1.078 -1.430 0.000) 1.790 16.235 ( -1.391 0.146 0.000) 1.399 16.235 ( 1.391 0.146 0.000) 1.399 18.940 ( -5.226 9.199 0.000) 10.580 18.940 ( 5.226 9.199 0.000) 10.580 19.442 ( -6.494 -16.252 0.000) 17.501 19.442 ( 6.494 -16.252 0.000) 17.501 20.081 ( -0.091 0.043 0.000) 0.101 20.081 ( 0.091 0.043 0.000) 0.101 20.443 ( -0.073 -0.067 0.000) 0.099 20.443 ( 0.073 -0.067 0.000) 0.099 21.012 ( -2.526 -2.238 0.000) 3.375 21.012 ( 2.526 -2.238 0.000) 3.375 21.353 ( -8.250 2.498 0.000) 8.620 21.353 ( 8.250 2.498 0.000) 8.620 24.214 ( -1.173 5.396 0.000) 5.522 24.214 ( 1.173 5.396 0.000) 5.522 24.405 ( -2.206 -4.132 0.000) 4.684 24.405 ( 2.206 -4.132 0.000) 4.684 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 -12.443 0.000) 12.443 1.220 ( 0.000 12.443 0.000) 12.443 1.612 ( 0.000 -20.951 0.000) 20.951 1.612 ( 0.000 20.951 0.000) 20.951 1.985 ( 0.000 -0.862 0.000) 0.862 1.985 ( 0.000 0.862 0.000) 0.862 2.241 ( 0.000 -9.129 0.000) 9.129 2.241 ( 0.000 9.129 0.000) 9.129 2.308 ( 0.000 -5.840 0.000) 5.840 2.308 ( 0.000 5.840 0.000) 5.840 2.843 ( 0.000 -31.252 0.000) 31.252 2.843 ( 0.000 31.252 0.000) 31.252 3.168 ( 0.000 -11.632 0.000) 11.632 3.168 ( 0.000 11.632 0.000) 11.632 3.187 ( 0.000 -8.763 0.000) 8.763 3.187 ( 0.000 8.763 0.000) 8.763 3.296 ( 0.000 -10.305 0.000) 10.305 3.296 ( 0.000 10.305 0.000) 10.305 3.388 ( 0.000 -10.548 0.000) 10.548 3.388 ( 0.000 10.548 0.000) 10.548 3.577 ( 0.000 -2.249 0.000) 2.249 3.577 ( 0.000 2.249 0.000) 2.249 3.710 ( 0.000 -1.205 0.000) 1.205 3.710 ( 0.000 1.205 0.000) 1.205 3.719 ( 0.000 -0.335 0.000) 0.335 3.719 ( 0.000 0.335 0.000) 0.335 4.094 ( 0.000 -10.162 0.000) 10.162 4.094 ( 0.000 10.162 0.000) 10.162 4.465 ( 0.000 -1.844 0.000) 1.844 4.465 ( 0.000 1.844 0.000) 1.844 4.761 ( 0.000 -0.822 0.000) 0.822 4.761 ( 0.000 0.822 0.000) 0.822 5.537 ( 0.000 -0.624 0.000) 0.624 5.537 ( 0.000 0.624 0.000) 0.624 5.611 ( 0.000 -10.453 0.000) 10.453 5.611 ( 0.000 10.453 0.000) 10.453 5.976 ( 0.000 -3.406 0.000) 3.406 5.976 ( 0.000 3.406 0.000) 3.406 6.063 ( 0.000 -23.973 0.000) 23.973 6.063 ( 0.000 23.973 0.000) 23.973 6.731 ( 0.000 -1.905 0.000) 1.905 6.731 ( 0.000 1.905 0.000) 1.905 7.466 ( 0.000 -3.110 0.000) 3.110 7.466 ( 0.000 3.110 0.000) 3.110 7.692 ( 0.000 -10.148 0.000) 10.148 7.692 ( 0.000 10.148 0.000) 10.148 8.045 ( 0.000 -9.201 0.000) 9.201 8.045 ( 0.000 9.201 0.000) 9.201 8.188 ( 0.000 -0.496 0.000) 0.496 8.188 ( 0.000 0.496 0.000) 0.496 8.501 ( 0.000 -0.362 0.000) 0.362 8.501 ( 0.000 0.362 0.000) 0.362 9.052 ( 0.000 -6.200 0.000) 6.200 9.052 ( 0.000 6.200 0.000) 6.200 9.544 ( 0.000 -12.995 0.000) 12.995 9.544 ( 0.000 12.995 0.000) 12.995 9.888 ( 0.000 -8.031 0.000) 8.031 9.888 ( 0.000 8.031 0.000) 8.031 9.903 ( 0.000 -3.040 0.000) 3.040 9.903 ( 0.000 3.040 0.000) 3.040 10.136 ( 0.000 -5.253 0.000) 5.253 10.136 ( 0.000 5.253 0.000) 5.253 10.234 ( 0.000 -8.827 0.000) 8.827 10.234 ( 0.000 8.827 0.000) 8.827 10.818 ( 0.000 -0.889 0.000) 0.889 10.818 ( 0.000 0.889 0.000) 0.889 10.893 ( 0.000 -3.761 0.000) 3.761 10.893 ( 0.000 3.761 0.000) 3.761 11.204 ( 0.000 -13.313 0.000) 13.313 11.204 ( 0.000 13.313 0.000) 13.313 11.216 ( 0.000 -5.804 0.000) 5.804 11.216 ( 0.000 5.804 0.000) 5.804 11.616 ( 0.000 -12.050 0.000) 12.050 11.616 ( 0.000 12.050 0.000) 12.050 12.011 ( 0.000 -1.425 0.000) 1.425 12.011 ( 0.000 1.425 0.000) 1.425 12.605 ( 0.000 -0.499 0.000) 0.499 12.605 ( 0.000 0.499 0.000) 0.499 12.725 ( 0.000 -6.560 0.000) 6.560 12.725 ( 0.000 6.560 0.000) 6.560 13.124 ( 0.000 -5.424 0.000) 5.424 13.124 ( 0.000 5.424 0.000) 5.424 13.558 ( 0.000 -1.674 0.000) 1.674 13.558 ( 0.000 1.674 0.000) 1.674 13.589 ( 0.000 -1.067 0.000) 1.067 13.589 ( 0.000 1.067 0.000) 1.067 13.640 ( 0.000 -6.480 0.000) 6.480 13.640 ( 0.000 6.480 0.000) 6.480 13.708 ( 0.000 -11.070 0.000) 11.070 13.708 ( 0.000 11.070 0.000) 11.070 13.846 ( 0.000 -5.298 0.000) 5.298 13.846 ( 0.000 5.298 0.000) 5.298 14.834 ( 0.000 -1.922 0.000) 1.922 14.834 ( 0.000 1.922 0.000) 1.922 15.593 ( 0.000 -6.266 0.000) 6.266 15.593 ( 0.000 6.266 0.000) 6.266 15.736 ( 0.000 -2.346 0.000) 2.346 15.736 ( 0.000 2.346 0.000) 2.346 15.981 ( 0.000 -2.578 0.000) 2.578 15.981 ( 0.000 2.578 0.000) 2.578 16.025 ( 0.000 -3.767 0.000) 3.767 16.025 ( 0.000 3.767 0.000) 3.767 16.208 ( 0.000 -2.783 0.000) 2.783 16.208 ( 0.000 2.783 0.000) 2.783 18.540 ( 0.000 -2.430 0.000) 2.430 18.540 ( 0.000 2.430 0.000) 2.430 19.174 ( 0.000 -12.027 0.000) 12.027 19.174 ( 0.000 12.027 0.000) 12.027 20.069 ( 0.000 -0.159 0.000) 0.159 20.069 ( 0.000 0.159 0.000) 0.159 20.454 ( 0.000 -0.128 0.000) 0.128 20.454 ( 0.000 0.128 0.000) 0.128 20.455 ( 0.000 -0.955 0.000) 0.955 20.455 ( 0.000 0.955 0.000) 0.955 22.141 ( 0.000 -13.804 0.000) 13.804 22.141 ( 0.000 13.804 0.000) 13.804 24.226 ( 0.000 -4.383 0.000) 4.383 24.226 ( 0.000 4.383 0.000) 4.383 24.378 ( 0.000 -6.558 0.000) 6.558 24.378 ( 0.000 6.558 0.000) 6.558 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 9.409 -9.264 0.000) 13.204 1.320 ( 9.409 9.264 0.000) 13.204 1.600 ( 0.099 -20.466 0.000) 20.466 1.600 ( 0.099 20.466 0.000) 20.466 1.953 ( -2.840 -3.839 0.000) 4.775 1.953 ( -2.840 3.839 0.000) 4.775 2.323 ( 6.630 -9.809 0.000) 11.839 2.323 ( 6.630 9.809 0.000) 11.839 2.352 ( 4.061 -6.249 0.000) 7.453 2.352 ( 4.061 6.249 0.000) 7.453 2.797 ( -8.886 -12.644 0.000) 15.454 2.797 ( -8.886 12.644 0.000) 15.454 3.123 ( -6.108 -8.257 0.000) 10.270 3.123 ( -6.108 8.257 0.000) 10.270 3.166 ( 7.339 -22.949 0.000) 24.094 3.166 ( 7.339 22.949 0.000) 24.094 3.222 ( -3.110 -8.598 0.000) 9.143 3.222 ( -3.110 8.598 0.000) 9.143 3.508 ( 4.664 -2.247 0.000) 5.177 3.508 ( 4.664 2.247 0.000) 5.177 3.596 ( 1.601 -1.491 0.000) 2.188 3.596 ( 1.601 1.491 0.000) 2.188 3.709 ( -0.994 -0.776 0.000) 1.261 3.709 ( -0.994 0.776 0.000) 1.261 3.783 ( 5.761 -4.212 0.000) 7.137 3.783 ( 5.761 4.212 0.000) 7.137 3.918 ( -12.681 -7.455 0.000) 14.710 3.918 ( -12.681 7.455 0.000) 14.710 4.501 ( 1.888 -5.564 0.000) 5.876 4.501 ( 1.888 5.564 0.000) 5.876 4.773 ( 1.129 -1.214 0.000) 1.657 4.773 ( 1.129 1.214 0.000) 1.657 5.551 ( 0.343 -0.692 0.000) 0.772 5.551 ( 0.343 0.692 0.000) 0.772 5.599 ( -1.235 -8.280 0.000) 8.372 5.599 ( -1.235 8.280 0.000) 8.372 5.919 ( -5.408 -3.622 0.000) 6.509 5.919 ( -5.408 3.622 0.000) 6.509 6.069 ( 0.679 -19.889 0.000) 19.901 6.069 ( 0.679 19.889 0.000) 19.901 6.782 ( 4.602 -1.398 0.000) 4.809 6.782 ( 4.602 1.398 0.000) 4.809 7.449 ( -1.545 -5.325 0.000) 5.545 7.449 ( -1.545 5.325 0.000) 5.545 7.699 ( 0.543 -9.064 0.000) 9.080 7.699 ( 0.543 9.064 0.000) 9.080 7.918 ( -9.081 -6.531 0.000) 11.186 7.918 ( -9.081 6.531 0.000) 11.186 8.273 ( 5.447 -4.011 0.000) 6.765 8.273 ( 5.447 4.011 0.000) 6.765 8.502 ( 0.317 -0.720 0.000) 0.787 8.502 ( 0.317 0.720 0.000) 0.787 9.019 ( -3.218 -3.753 0.000) 4.944 9.019 ( -3.218 3.753 0.000) 4.944 9.483 ( -5.684 -11.705 0.000) 13.013 9.483 ( -5.684 11.705 0.000) 13.013 9.867 ( -1.290 -6.439 0.000) 6.567 9.867 ( -1.290 6.439 0.000) 6.567 9.914 ( 1.187 -0.442 0.000) 1.266 9.914 ( 1.187 0.442 0.000) 1.266 10.189 ( -4.100 -7.945 0.000) 8.940 10.189 ( -4.100 7.945 0.000) 8.940 10.206 ( 6.412 -4.883 0.000) 8.060 10.206 ( 6.412 4.883 0.000) 8.060 10.798 ( -1.655 -1.647 0.000) 2.334 10.798 ( -1.655 1.647 0.000) 2.334 10.903 ( 1.140 -4.348 0.000) 4.495 10.903 ( 1.140 4.348 0.000) 4.495 11.289 ( 5.755 -12.044 0.000) 13.348 11.289 ( 5.755 12.044 0.000) 13.348 11.305 ( 7.831 -6.144 0.000) 9.954 11.305 ( 7.831 6.144 0.000) 9.954 11.594 ( -1.173 -11.385 0.000) 11.446 11.594 ( -1.173 11.385 0.000) 11.446 12.049 ( 3.893 -2.246 0.000) 4.494 12.049 ( 3.893 2.246 0.000) 4.494 12.601 ( -0.346 -0.649 0.000) 0.735 12.601 ( -0.346 0.649 0.000) 0.735 12.699 ( -2.695 -6.298 0.000) 6.851 12.699 ( -2.695 6.298 0.000) 6.851 13.159 ( 3.589 -4.958 0.000) 6.121 13.159 ( 3.589 4.958 0.000) 6.121 13.527 ( -2.936 -1.746 0.000) 3.416 13.527 ( -2.936 1.746 0.000) 3.416 13.586 ( -0.285 -0.616 0.000) 0.678 13.586 ( -0.285 0.616 0.000) 0.678 13.616 ( -2.497 -6.098 0.000) 6.589 13.616 ( -2.497 6.098 0.000) 6.589 13.705 ( -0.250 -8.687 0.000) 8.691 13.705 ( -0.250 8.687 0.000) 8.691 13.829 ( -1.619 -4.699 0.000) 4.971 13.829 ( -1.619 4.699 0.000) 4.971 14.828 ( -0.513 -1.678 0.000) 1.755 14.828 ( -0.513 1.678 0.000) 1.755 15.487 ( -8.554 -3.136 0.000) 9.110 15.487 ( -8.554 3.136 0.000) 9.110 15.737 ( 0.107 -2.098 0.000) 2.101 15.737 ( 0.107 2.098 0.000) 2.101 15.968 ( 0.183 -0.908 0.000) 0.926 15.968 ( 0.183 0.908 0.000) 0.926 16.066 ( 1.745 -1.033 0.000) 2.028 16.066 ( 1.745 1.033 0.000) 2.028 16.216 ( 0.681 -2.432 0.000) 2.526 16.216 ( 0.681 2.432 0.000) 2.526 18.704 ( 14.299 -7.476 0.000) 16.135 18.704 ( 14.299 7.476 0.000) 16.135 19.197 ( 2.009 -12.202 0.000) 12.366 19.197 ( 2.009 12.202 0.000) 12.366 20.072 ( 0.292 -0.143 0.000) 0.325 20.072 ( 0.292 0.143 0.000) 0.325 20.451 ( -0.259 -0.116 0.000) 0.284 20.451 ( -0.259 0.116 0.000) 0.284 20.524 ( 7.411 -2.531 0.000) 7.831 20.524 ( 7.411 2.531 0.000) 7.831 22.001 ( -13.751 -11.132 0.000) 17.692 22.001 ( -13.751 11.132 0.000) 17.692 24.239 ( 1.357 -4.478 0.000) 4.679 24.239 ( 1.357 4.478 0.000) 4.679 24.371 ( -0.718 -6.408 0.000) 6.448 24.371 ( -0.718 6.408 0.000) 6.448 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 10.432 -3.128 0.000) 10.891 1.527 ( 10.432 3.128 0.000) 10.891 1.663 ( 6.669 -16.403 0.000) 17.707 1.663 ( 6.669 16.403 0.000) 17.707 1.890 ( -3.482 -4.189 0.000) 5.448 1.890 ( -3.482 4.189 0.000) 5.448 2.321 ( -10.569 -10.106 0.000) 14.623 2.321 ( -10.569 10.106 0.000) 14.623 2.444 ( 4.918 -6.267 0.000) 7.966 2.444 ( 4.918 6.267 0.000) 7.966 2.702 ( 4.853 -1.490 0.000) 5.077 2.702 ( 4.853 1.490 0.000) 5.077 2.982 ( -7.427 -7.134 0.000) 10.298 2.982 ( -7.427 7.134 0.000) 10.298 3.124 ( -5.714 -7.496 0.000) 9.425 3.124 ( -5.714 7.496 0.000) 9.425 3.430 ( 10.051 -18.113 0.000) 20.714 3.430 ( 10.051 18.113 0.000) 20.714 3.542 ( 3.242 -4.894 0.000) 5.871 3.542 ( 3.242 4.894 0.000) 5.871 3.626 ( 1.367 -2.380 0.000) 2.745 3.626 ( 1.367 2.380 0.000) 2.745 3.682 ( -5.452 -0.267 0.000) 5.458 3.682 ( -5.452 0.267 0.000) 5.458 3.685 ( -1.386 -2.035 0.000) 2.462 3.685 ( -1.386 2.035 0.000) 2.462 3.934 ( 4.170 -3.070 0.000) 5.178 3.934 ( 4.170 3.070 0.000) 5.178 4.507 ( -1.314 -6.472 0.000) 6.604 4.507 ( -1.314 6.472 0.000) 6.604 4.798 ( 1.238 -1.110 0.000) 1.663 4.798 ( 1.238 1.110 0.000) 1.663 5.532 ( -1.757 -0.408 0.000) 1.804 5.532 ( -1.757 0.408 0.000) 1.804 5.571 ( -1.397 -3.877 0.000) 4.121 5.571 ( -1.397 3.877 0.000) 4.121 5.800 ( -5.974 -2.826 0.000) 6.609 5.800 ( -5.974 2.826 0.000) 6.609 6.087 ( 0.973 -10.491 0.000) 10.536 6.087 ( 0.973 10.491 0.000) 10.536 6.871 ( 3.739 -1.174 0.000) 3.919 6.871 ( 3.739 1.174 0.000) 3.919 7.423 ( -0.675 -8.028 0.000) 8.057 7.423 ( -0.675 8.028 0.000) 8.057 7.705 ( 0.053 -5.481 0.000) 5.482 7.705 ( 0.053 5.481 0.000) 5.482 7.757 ( -6.909 -5.992 0.000) 9.145 7.757 ( -6.909 5.992 0.000) 9.145 8.364 ( 3.752 -2.739 0.000) 4.645 8.364 ( 3.752 2.739 0.000) 4.645 8.519 ( 1.332 -0.435 0.000) 1.401 8.519 ( 1.332 0.435 0.000) 1.401 8.944 ( -3.950 -0.832 0.000) 4.037 8.944 ( -3.950 0.832 0.000) 4.037 9.366 ( -5.351 -7.631 0.000) 9.320 9.366 ( -5.351 7.631 0.000) 9.320 9.855 ( -0.117 -3.825 0.000) 3.827 9.855 ( -0.117 3.825 0.000) 3.827 9.948 ( 2.338 -5.420 0.000) 5.903 9.948 ( 2.338 5.420 0.000) 5.903 10.102 ( -4.437 -8.131 0.000) 9.262 10.102 ( -4.437 8.131 0.000) 9.262 10.342 ( 6.470 -3.272 0.000) 7.250 10.342 ( 6.470 3.272 0.000) 7.250 10.768 ( -1.235 -1.405 0.000) 1.870 10.768 ( -1.235 1.405 0.000) 1.870 10.937 ( 2.244 -5.875 0.000) 6.289 10.937 ( 2.244 5.875 0.000) 6.289 11.308 ( -3.547 -7.940 0.000) 8.696 11.308 ( -3.547 7.940 0.000) 8.696 11.456 ( 6.442 -4.504 0.000) 7.860 11.456 ( 6.442 4.504 0.000) 7.860 11.629 ( 4.062 -5.402 0.000) 6.759 11.629 ( 4.062 5.402 0.000) 6.759 12.154 ( 6.476 -2.828 0.000) 7.067 12.154 ( 6.476 2.828 0.000) 7.067 12.596 ( -0.094 -0.707 0.000) 0.713 12.596 ( -0.094 0.707 0.000) 0.713 12.622 ( -5.012 -4.980 0.000) 7.065 12.622 ( -5.012 4.980 0.000) 7.065 13.257 ( 6.232 -3.786 0.000) 7.292 13.257 ( 6.232 3.786 0.000) 7.292 13.463 ( -3.137 -1.598 0.000) 3.521 13.463 ( -3.137 1.598 0.000) 3.521 13.543 ( -4.950 -4.744 0.000) 6.856 13.543 ( -4.950 4.744 0.000) 6.856 13.579 ( -0.336 -0.273 0.000) 0.434 13.579 ( -0.336 0.273 0.000) 0.434 13.702 ( -0.056 -4.150 0.000) 4.150 13.702 ( -0.056 4.150 0.000) 4.150 13.793 ( -1.739 -2.789 0.000) 3.287 13.793 ( -1.739 2.789 0.000) 3.287 14.819 ( -0.387 -0.979 0.000) 1.053 14.819 ( -0.387 0.979 0.000) 1.053 15.342 ( -5.518 -1.405 0.000) 5.694 15.342 ( -5.518 1.405 0.000) 5.694 15.739 ( 0.117 -1.274 0.000) 1.279 15.739 ( 0.117 1.274 0.000) 1.279 15.987 ( 1.541 -1.726 0.000) 2.314 15.987 ( 1.541 1.726 0.000) 2.314 16.073 ( -0.784 -0.754 0.000) 1.087 16.073 ( -0.784 0.754 0.000) 1.087 16.230 ( 0.657 -1.424 0.000) 1.568 16.230 ( 0.657 1.424 0.000) 1.568 18.975 ( 12.017 -11.535 0.000) 16.657 18.975 ( 12.017 11.535 0.000) 16.657 19.222 ( -0.238 -12.702 0.000) 12.704 19.222 ( -0.238 12.702 0.000) 12.704 20.078 ( 0.301 -0.090 0.000) 0.314 20.078 ( 0.301 0.090 0.000) 0.314 20.446 ( -0.268 -0.074 0.000) 0.278 20.446 ( -0.268 0.074 0.000) 0.278 20.748 ( 15.324 -1.828 0.000) 15.433 20.748 ( 15.324 1.828 0.000) 15.433 21.662 ( -19.797 -6.173 0.000) 20.737 21.662 ( -19.797 6.173 0.000) 20.737 24.273 ( 2.011 -4.641 0.000) 5.058 24.273 ( 2.011 4.641 0.000) 5.058 24.351 ( -1.331 -5.779 0.000) 5.930 24.351 ( -1.331 5.779 0.000) 5.930 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.780 ( -0.000 -0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 -0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.894 ( -0.000 0.000 0.000) 0.000 2.894 ( -0.000 0.000 0.000) 0.000 3.033 ( -0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 -0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.640 ( -0.000 -0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.643 ( -0.000 -0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 -0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.704 ( -0.000 -0.000 0.000) 0.000 3.704 ( 0.000 -0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.482 ( -0.000 0.000 0.000) 0.000 4.482 ( -0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 -0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 -0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.310 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 -0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.042 ( -0.000 -0.000 0.000) 0.000 10.042 ( -0.000 0.000 0.000) 0.000 10.411 ( 0.000 0.000 0.000) 0.000 10.411 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 -0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.553 ( -0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 13.353 ( -0.000 0.000 0.000) 0.000 13.353 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 13.461 ( -0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 -0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 13.775 ( 0.000 0.000 0.000) 0.000 13.775 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 15.288 ( 0.000 0.000 0.000) 0.000 15.288 ( 0.000 0.000 0.000) 0.000 15.741 ( 0.000 0.000 0.000) 0.000 15.741 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000 16.237 ( 0.000 0.000 0.000) 0.000 16.237 ( 0.000 0.000 0.000) 0.000 19.126 ( -0.000 -0.000 0.000) 0.000 19.126 ( 0.000 0.000 0.000) 0.000 19.186 ( 0.000 -0.000 0.000) 0.000 19.186 ( -0.000 0.000 0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 20.443 ( 0.000 0.000 0.000) 0.000 20.443 ( 0.000 0.000 0.000) 0.000 20.989 ( 0.000 0.000 0.000) 0.000 20.989 ( 0.000 0.000 0.000) 0.000 21.378 ( -0.000 0.000 0.000) 0.000 21.378 ( 0.000 0.000 0.000) 0.000 24.304 ( 0.000 -0.000 0.000) 0.000 24.304 ( 0.000 0.000 0.000) 0.000 24.328 ( -0.000 -0.000 0.000) 0.000 24.328 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 0.000 27.202) 27.202 0.707 ( 0.000 0.000 33.872) 33.872 1.080 ( 0.000 0.000 50.209) 50.209 1.647 ( 0.000 0.000 2.926) 2.926 1.980 ( 0.000 0.000 6.468) 6.468 2.053 ( 0.000 0.000 3.466) 3.466 2.090 ( 0.000 0.000 22.701) 22.701 2.123 ( 0.000 0.000 7.892) 7.892 2.720 ( 0.000 0.000 0.765) 0.765 2.784 ( 0.000 0.000 3.127) 3.127 2.826 ( 0.000 0.000 0.910) 0.910 2.921 ( 0.000 0.000 13.549) 13.549 2.978 ( 0.000 0.000 -0.203) 0.203 3.002 ( 0.000 0.000 -2.601) 2.601 3.144 ( 0.000 0.000 1.373) 1.373 3.258 ( 0.000 0.000 4.437) 4.437 3.258 ( 0.000 0.000 -0.522) 0.522 3.352 ( 0.000 0.000 -7.864) 7.864 3.487 ( 0.000 0.000 -3.613) 3.613 3.503 ( 0.000 0.000 -4.444) 4.444 3.574 ( 0.000 0.000 -1.828) 1.828 3.663 ( 0.000 0.000 -5.101) 5.101 3.666 ( 0.000 0.000 2.910) 2.910 3.810 ( 0.000 0.000 13.825) 13.825 3.887 ( 0.000 0.000 10.143) 10.143 3.979 ( 0.000 0.000 14.007) 14.007 4.027 ( 0.000 0.000 2.302) 2.302 4.208 ( 0.000 0.000 1.468) 1.468 4.272 ( 0.000 0.000 9.167) 9.167 4.294 ( 0.000 0.000 -9.365) 9.365 4.768 ( 0.000 0.000 10.210) 10.210 4.780 ( 0.000 0.000 1.790) 1.790 5.136 ( 0.000 0.000 0.566) 0.566 5.509 ( 0.000 0.000 -11.073) 11.073 5.580 ( 0.000 0.000 -1.106) 1.106 5.710 ( 0.000 0.000 -2.834) 2.834 5.792 ( 0.000 0.000 -8.490) 8.490 5.809 ( 0.000 0.000 13.510) 13.510 6.061 ( 0.000 0.000 0.965) 0.965 6.647 ( 0.000 0.000 0.001) 0.001 6.816 ( 0.000 0.000 3.356) 3.356 6.980 ( 0.000 0.000 0.748) 0.748 7.220 ( 0.000 0.000 -5.252) 5.252 7.480 ( 0.000 0.000 3.096) 3.096 7.575 ( 0.000 0.000 -2.745) 2.745 7.728 ( 0.000 0.000 -2.233) 2.233 8.015 ( 0.000 0.000 -1.065) 1.065 8.121 ( 0.000 0.000 -2.569) 2.569 8.284 ( 0.000 0.000 -0.511) 0.511 8.312 ( 0.000 0.000 -2.870) 2.870 8.420 ( 0.000 0.000 -2.521) 2.521 8.519 ( 0.000 0.000 7.008) 7.008 8.841 ( 0.000 0.000 3.653) 3.653 9.118 ( 0.000 0.000 5.915) 5.915 9.230 ( 0.000 0.000 -4.914) 4.914 9.384 ( 0.000 0.000 -1.950) 1.950 9.706 ( 0.000 0.000 -4.938) 4.938 9.864 ( 0.000 0.000 -2.437) 2.437 9.912 ( 0.000 0.000 4.453) 4.453 10.051 ( 0.000 0.000 -0.803) 0.803 10.155 ( 0.000 0.000 -6.300) 6.300 10.175 ( 0.000 0.000 0.670) 0.670 10.408 ( 0.000 0.000 -2.673) 2.673 10.420 ( 0.000 0.000 0.064) 0.064 10.584 ( 0.000 0.000 -5.511) 5.511 10.619 ( 0.000 0.000 -1.366) 1.366 10.664 ( 0.000 0.000 -9.306) 9.306 10.969 ( 0.000 0.000 6.951) 6.951 11.048 ( 0.000 0.000 3.581) 3.581 11.111 ( 0.000 0.000 -17.011) 17.011 11.406 ( 0.000 0.000 -0.260) 0.260 11.687 ( 0.000 0.000 4.797) 4.797 11.825 ( 0.000 0.000 -15.035) 15.035 11.964 ( 0.000 0.000 1.365) 1.365 12.060 ( 0.000 0.000 8.393) 8.393 12.373 ( 0.000 0.000 8.180) 8.180 12.448 ( 0.000 0.000 1.151) 1.151 12.500 ( 0.000 0.000 -8.911) 8.911 12.599 ( 0.000 0.000 -1.296) 1.296 12.834 ( 0.000 0.000 0.071) 0.071 12.841 ( 0.000 0.000 1.185) 1.185 13.130 ( 0.000 0.000 3.032) 3.032 13.335 ( 0.000 0.000 -0.402) 0.402 13.358 ( 0.000 0.000 -0.602) 0.602 13.429 ( 0.000 0.000 -3.387) 3.387 13.541 ( 0.000 0.000 -2.343) 2.343 13.557 ( 0.000 0.000 -1.577) 1.577 13.595 ( 0.000 0.000 2.375) 2.375 13.801 ( 0.000 0.000 -2.206) 2.206 13.832 ( 0.000 0.000 -2.204) 2.204 14.102 ( 0.000 0.000 7.512) 7.512 14.455 ( 0.000 0.000 -0.820) 0.820 14.777 ( 0.000 0.000 2.077) 2.077 14.891 ( 0.000 0.000 0.024) 0.024 15.000 ( 0.000 0.000 1.383) 1.383 15.330 ( 0.000 0.000 -3.421) 3.421 15.688 ( 0.000 0.000 2.458) 2.458 15.880 ( 0.000 0.000 -1.005) 1.005 15.898 ( 0.000 0.000 1.626) 1.626 15.905 ( 0.000 0.000 0.539) 0.539 16.007 ( 0.000 0.000 -3.786) 3.786 16.080 ( 0.000 0.000 -0.219) 0.219 16.096 ( 0.000 0.000 0.148) 0.148 16.272 ( 0.000 0.000 -1.754) 1.754 18.433 ( 0.000 0.000 3.141) 3.141 18.582 ( 0.000 0.000 -0.001) 0.001 18.730 ( 0.000 0.000 -1.810) 1.810 19.497 ( 0.000 0.000 -13.119) 13.119 20.071 ( 0.000 0.000 0.339) 0.339 20.133 ( 0.000 0.000 3.808) 3.808 20.503 ( 0.000 0.000 4.076) 4.076 20.506 ( 0.000 0.000 -1.843) 1.843 20.511 ( 0.000 0.000 3.302) 3.302 20.806 ( 0.000 0.000 5.541) 5.541 21.746 ( 0.000 0.000 7.747) 7.747 22.747 ( 0.000 0.000 -3.761) 3.761 24.039 ( 0.000 0.000 3.734) 3.734 24.091 ( 0.000 0.000 2.225) 2.225 24.403 ( 0.000 0.000 -1.165) 1.165 24.496 ( 0.000 0.000 -2.012) 2.012 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 11.040 0.000 19.037) 22.006 0.785 ( 20.354 0.000 17.615) 26.918 1.507 ( 25.692 0.000 36.198) 44.389 1.691 ( 5.519 0.000 4.566) 7.162 2.006 ( 1.413 0.000 3.445) 3.724 2.007 ( -3.341 0.000 12.455) 12.895 2.130 ( 2.252 0.000 11.156) 11.381 2.169 ( 6.904 0.000 8.689) 11.098 2.622 ( -13.135 0.000 -1.466) 13.216 2.728 ( -4.113 0.000 2.165) 4.648 2.735 ( -4.259 0.000 0.844) 4.342 2.805 ( -17.996 0.000 18.386) 25.727 2.855 ( -6.504 0.000 10.067) 11.986 2.984 ( -1.238 0.000 -0.497) 1.334 2.993 ( 0.485 0.000 1.882) 1.943 3.188 ( 1.629 0.000 0.093) 1.631 3.256 ( -0.353 0.000 2.135) 2.164 3.384 ( -5.471 0.000 -5.543) 7.788 3.393 ( 0.548 0.000 -6.112) 6.137 3.530 ( -0.927 0.000 7.386) 7.444 3.591 ( 0.803 0.000 -2.437) 2.566 3.664 ( -2.806 0.000 9.861) 10.252 3.741 ( 8.148 0.000 -1.264) 8.245 3.759 ( 0.440 0.000 -0.019) 0.440 3.842 ( -4.618 0.000 7.936) 9.182 4.013 ( -1.318 0.000 2.672) 2.979 4.158 ( 5.727 0.000 10.660) 12.101 4.192 ( -3.995 0.000 3.548) 5.343 4.308 ( 8.890 0.000 0.584) 8.909 4.403 ( 7.073 0.000 -2.803) 7.609 4.800 ( 1.676 0.000 2.040) 2.640 4.811 ( 3.594 0.000 9.777) 10.417 5.128 ( -0.529 0.000 0.435) 0.685 5.439 ( -4.924 0.000 -5.149) 7.125 5.549 ( -11.829 0.000 17.567) 21.178 5.601 ( 0.721 0.000 -3.866) 3.932 5.674 ( -5.573 0.000 -4.404) 7.103 5.872 ( 3.312 0.000 -11.168) 11.649 6.207 ( 5.971 0.000 2.720) 6.562 6.775 ( 4.791 0.000 -5.001) 6.925 6.869 ( 6.402 0.000 -1.056) 6.489 6.922 ( -5.722 0.000 1.353) 5.880 7.183 ( -4.235 0.000 -3.916) 5.768 7.432 ( -3.288 0.000 -0.270) 3.299 7.622 ( 4.367 0.000 -4.276) 6.112 7.682 ( -7.505 0.000 -0.103) 7.506 7.946 ( -1.604 0.000 0.080) 1.606 8.051 ( -6.319 0.000 -2.241) 6.705 8.309 ( 2.069 0.000 -0.118) 2.073 8.374 ( 3.690 0.000 -3.958) 5.411 8.451 ( 3.112 0.000 -2.362) 3.907 8.568 ( 3.669 0.000 5.120) 6.298 8.821 ( -2.066 0.000 3.057) 3.690 9.110 ( -10.234 0.000 -0.271) 10.237 9.175 ( 6.582 0.000 4.886) 8.197 9.348 ( -0.940 0.000 -6.215) 6.286 9.779 ( 4.505 0.000 -5.967) 7.476 9.846 ( -1.435 0.000 -2.256) 2.674 9.951 ( -5.251 0.000 -0.214) 5.255 10.064 ( 11.305 0.000 1.327) 11.383 10.140 ( -1.527 0.000 2.812) 3.199 10.231 ( -4.052 0.000 -6.078) 7.305 10.300 ( -7.245 0.000 -0.471) 7.260 10.358 ( 2.836 0.000 -3.661) 4.631 10.611 ( 6.074 0.000 4.195) 7.382 10.683 ( -0.866 0.000 -8.605) 8.648 10.749 ( 5.905 0.000 -9.084) 10.835 11.049 ( 4.960 0.000 -4.413) 6.639 11.058 ( 2.153 0.000 6.092) 6.461 11.181 ( 5.991 0.000 -9.423) 11.166 11.435 ( 3.202 0.000 -1.160) 3.406 11.727 ( 2.553 0.000 3.643) 4.449 11.771 ( -12.546 0.000 0.901) 12.578 11.903 ( -2.635 0.000 2.187) 3.424 11.967 ( 1.132 0.000 1.596) 1.957 12.366 ( -2.618 0.000 7.698) 8.131 12.411 ( -1.296 0.000 0.922) 1.591 12.506 ( 0.523 0.000 -8.611) 8.627 12.591 ( -0.522 0.000 -1.230) 1.336 12.801 ( -3.934 0.000 1.349) 4.159 12.934 ( 7.584 0.000 -4.001) 8.575 13.141 ( 1.179 0.000 2.960) 3.187 13.326 ( -2.694 0.000 -2.048) 3.384 13.365 ( 2.991 0.000 -0.523) 3.036 13.456 ( 2.053 0.000 -2.107) 2.942 13.489 ( -4.308 0.000 -1.009) 4.425 13.569 ( 1.249 0.000 -1.429) 1.898 13.619 ( 1.525 0.000 0.620) 1.647 13.706 ( -6.699 0.000 1.831) 6.945 13.816 ( -1.735 0.000 -2.030) 2.671 14.063 ( -3.747 0.000 7.412) 8.305 14.190 ( -11.408 0.000 8.569) 14.268 14.781 ( 0.363 0.000 1.992) 2.024 14.875 ( -1.453 0.000 0.294) 1.483 15.017 ( 1.644 0.000 1.020) 1.935 15.317 ( -3.442 0.000 -3.785) 5.115 15.693 ( 0.595 0.000 2.168) 2.248 15.844 ( -1.913 0.000 0.885) 2.108 15.905 ( 0.706 0.000 1.108) 1.314 15.967 ( 1.587 0.000 -4.904) 5.154 16.022 ( 1.303 0.000 -3.434) 3.673 16.088 ( 0.568 0.000 -0.381) 0.684 16.120 ( 2.418 0.000 0.390) 2.449 16.286 ( 0.280 0.000 -1.002) 1.040 18.491 ( 5.865 0.000 1.917) 6.171 18.756 ( 2.281 0.000 -1.781) 2.894 19.277 ( 38.711 0.000 -37.551) 53.932 19.514 ( 1.988 0.000 -12.709) 12.864 20.073 ( 0.134 0.000 0.014) 0.135 20.125 ( -0.925 0.000 2.801) 2.950 20.374 ( -5.580 0.000 1.642) 5.817 20.473 ( -3.176 0.000 1.713) 3.608 20.676 ( 10.223 0.000 1.508) 10.334 20.899 ( 8.748 0.000 6.734) 11.039 21.671 ( -7.559 0.000 8.027) 11.026 22.346 ( -28.751 0.000 17.446) 33.630 24.051 ( 1.316 0.000 3.239) 3.496 24.098 ( 0.624 0.000 2.152) 2.241 24.438 ( 1.963 0.000 -2.445) 3.136 24.491 ( -0.388 0.000 -1.898) 1.938 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 27.830 0.000 -5.682) 28.404 1.209 ( 21.625 0.000 7.728) 22.964 1.727 ( 4.548 0.000 3.790) 5.920 1.927 ( -5.354 0.000 9.650) 11.036 1.948 ( 6.853 0.000 9.824) 11.978 2.016 ( 5.217 0.000 13.963) 14.906 2.142 ( -2.489 0.000 8.459) 8.818 2.298 ( -17.803 0.000 -4.383) 18.335 2.323 ( 2.148 0.000 3.314) 3.949 2.643 ( -0.836 0.000 15.742) 15.764 2.655 ( -3.622 0.000 2.853) 4.611 2.683 ( -11.049 0.000 3.327) 11.539 2.771 ( 14.095 0.000 6.621) 15.572 2.985 ( 1.563 0.000 4.177) 4.460 3.017 ( 1.566 0.000 5.100) 5.335 3.229 ( -3.218 0.000 4.556) 5.577 3.238 ( 2.494 0.000 -8.616) 8.970 3.312 ( -1.628 0.000 -4.522) 4.806 3.335 ( -2.984 0.000 0.744) 3.075 3.522 ( 0.396 0.000 9.065) 9.074 3.537 ( -5.128 0.000 1.682) 5.397 3.681 ( 0.610 0.000 3.041) 3.102 3.701 ( -9.304 0.000 6.185) 11.172 3.818 ( 7.655 0.000 1.998) 7.912 3.826 ( -3.883 0.000 0.955) 3.999 4.017 ( 3.527 0.000 4.102) 5.410 4.133 ( -2.310 0.000 4.408) 4.976 4.199 ( -0.334 0.000 14.253) 14.257 4.479 ( 7.513 0.000 -1.015) 7.581 4.533 ( 5.372 0.000 -1.984) 5.727 4.839 ( 2.136 0.000 2.648) 3.402 4.867 ( 1.473 0.000 7.176) 7.325 5.135 ( 1.752 0.000 2.542) 3.087 5.352 ( -8.751 0.000 13.555) 16.134 5.390 ( 1.068 0.000 -2.816) 3.012 5.557 ( -5.999 0.000 -5.958) 8.455 5.606 ( 0.562 0.000 -1.175) 1.303 5.830 ( -7.161 0.000 -5.082) 8.781 6.361 ( 10.379 0.000 3.902) 11.088 6.775 ( -9.198 0.000 2.380) 9.501 6.847 ( 4.013 0.000 -3.067) 5.051 6.983 ( 5.639 0.000 -1.711) 5.893 7.066 ( -7.069 0.000 -1.933) 7.329 7.328 ( -9.716 0.000 -4.801) 10.837 7.555 ( -0.779 0.000 2.261) 2.392 7.696 ( 1.082 0.000 -7.118) 7.200 7.925 ( -4.471 0.000 1.939) 4.873 7.953 ( 0.207 0.000 -0.623) 0.657 8.351 ( 1.980 0.000 -1.389) 2.419 8.401 ( -0.635 0.000 -4.364) 4.410 8.551 ( 7.071 0.000 -1.127) 7.160 8.637 ( 3.775 0.000 3.360) 5.053 8.766 ( -3.499 0.000 1.171) 3.690 8.910 ( -9.930 0.000 1.676) 10.070 9.356 ( 10.026 0.000 0.228) 10.029 9.370 ( 3.210 0.000 -7.349) 8.020 9.819 ( -1.476 0.000 -3.507) 3.805 9.854 ( 2.950 0.000 -5.996) 6.682 9.875 ( -1.819 0.000 3.516) 3.959 10.019 ( -6.210 0.000 1.417) 6.369 10.099 ( -5.715 0.000 -5.096) 7.657 10.129 ( -8.221 0.000 -0.171) 8.223 10.378 ( 13.065 0.000 1.552) 13.157 10.454 ( 4.324 0.000 -1.792) 4.680 10.640 ( -2.651 0.000 -4.722) 5.415 10.738 ( 0.559 0.000 -5.241) 5.270 10.823 ( 7.385 0.000 -0.611) 7.410 11.092 ( -1.252 0.000 -9.243) 9.327 11.154 ( 6.954 0.000 4.360) 8.208 11.322 ( 8.995 0.000 -0.644) 9.018 11.505 ( -12.366 0.000 6.860) 14.142 11.530 ( 6.001 0.000 -2.670) 6.568 11.711 ( -4.200 0.000 2.252) 4.766 11.861 ( -4.755 0.000 -4.340) 6.438 12.045 ( 6.661 0.000 1.908) 6.929 12.293 ( -4.624 0.000 2.681) 5.345 12.420 ( 2.300 0.000 1.094) 2.547 12.511 ( -0.393 0.000 -7.462) 7.473 12.591 ( 0.738 0.000 -1.134) 1.353 12.707 ( -5.163 0.000 1.501) 5.377 13.078 ( 6.878 0.000 -4.322) 8.123 13.180 ( 3.125 0.000 2.475) 3.987 13.266 ( -3.516 0.000 -3.028) 4.640 13.383 ( -6.108 0.000 0.295) 6.115 13.446 ( 5.183 0.000 -1.018) 5.282 13.501 ( 2.198 0.000 -1.759) 2.815 13.610 ( 3.160 0.000 -1.526) 3.509 13.610 ( -3.369 0.000 -0.064) 3.370 13.631 ( -0.882 0.000 -1.394) 1.650 13.765 ( -3.539 0.000 -1.620) 3.892 13.987 ( -3.068 0.000 7.903) 8.478 14.048 ( -5.123 0.000 6.314) 8.131 14.792 ( 0.823 0.000 1.765) 1.948 14.843 ( -1.712 0.000 0.845) 1.909 15.061 ( 2.922 0.000 0.187) 2.928 15.225 ( -5.299 0.000 -2.077) 5.692 15.714 ( 1.630 0.000 1.654) 2.322 15.801 ( -2.447 0.000 0.934) 2.619 15.924 ( 1.293 0.000 -0.067) 1.295 15.972 ( -0.659 0.000 -3.525) 3.586 16.049 ( 1.458 0.000 -2.621) 2.999 16.092 ( -0.317 0.000 -0.954) 1.006 16.180 ( 3.394 0.000 0.492) 3.429 16.276 ( -1.208 0.000 -0.165) 1.219 18.628 ( 7.462 0.000 0.018) 7.462 18.788 ( 0.282 0.000 -1.819) 1.840 19.583 ( 5.253 0.000 -12.268) 13.345 19.706 ( 8.070 0.000 -28.486) 29.607 20.075 ( 0.032 0.000 -0.900) 0.901 20.092 ( -2.028 0.000 0.163) 2.034 20.314 ( -0.162 0.000 0.874) 0.889 20.408 ( -3.310 0.000 -0.539) 3.353 20.901 ( 13.033 0.000 2.685) 13.307 21.115 ( 12.993 0.000 7.096) 14.804 21.473 ( -11.909 0.000 10.028) 15.568 21.849 ( -22.644 0.000 19.625) 29.964 24.082 ( 1.617 0.000 2.430) 2.919 24.109 ( 0.345 0.000 1.999) 2.028 24.464 ( 0.844 0.000 -1.767) 1.958 24.483 ( -0.433 0.000 -1.639) 1.695 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -3.197 0.000 -6.165) 6.945 1.483 ( 3.197 0.000 -6.165) 6.945 1.785 ( -5.417 0.000 -0.611) 5.452 1.785 ( 5.417 0.000 -0.611) 5.452 1.956 ( -6.597 0.000 13.590) 15.107 1.956 ( 6.597 0.000 13.590) 15.107 2.139 ( -3.190 0.000 4.884) 5.833 2.139 ( 3.190 0.000 4.884) 5.833 2.441 ( -12.135 0.000 2.219) 12.336 2.441 ( 12.135 0.000 2.219) 12.336 2.630 ( -0.345 0.000 5.783) 5.793 2.630 ( 0.345 0.000 5.783) 5.793 3.024 ( -1.349 0.000 7.191) 7.317 3.024 ( 1.349 0.000 7.191) 7.317 3.108 ( -11.741 0.000 7.044) 13.692 3.108 ( 11.741 0.000 7.044) 13.692 3.279 ( -3.083 0.000 -2.729) 4.118 3.279 ( 3.083 0.000 -2.729) 4.118 3.383 ( -8.381 0.000 -0.257) 8.385 3.383 ( 8.381 0.000 -0.257) 8.385 3.556 ( -3.687 0.000 9.103) 9.822 3.556 ( 3.687 0.000 9.103) 9.822 3.715 ( -4.396 0.000 -0.245) 4.403 3.715 ( 4.396 0.000 -0.245) 4.403 3.982 ( -7.352 0.000 0.382) 7.362 3.982 ( 7.352 0.000 0.382) 7.362 4.159 ( -3.512 0.000 13.482) 13.932 4.159 ( 3.512 0.000 13.482) 13.932 4.572 ( -1.706 0.000 -1.391) 2.201 4.572 ( 1.706 0.000 -1.391) 2.201 4.869 ( -0.844 0.000 3.640) 3.736 4.869 ( 0.844 0.000 3.640) 3.736 5.209 ( -5.916 0.000 8.153) 10.073 5.209 ( 5.916 0.000 8.153) 10.073 5.459 ( -4.472 0.000 -5.564) 7.139 5.459 ( 4.472 0.000 -5.564) 7.139 5.671 ( -7.045 0.000 0.639) 7.074 5.671 ( 7.045 0.000 0.639) 7.074 6.576 ( -11.191 0.000 3.152) 11.626 6.576 ( 11.191 0.000 3.152) 11.626 6.939 ( -5.670 0.000 -2.721) 6.289 6.939 ( 5.670 0.000 -2.721) 6.289 7.125 ( -9.450 0.000 -1.875) 9.634 7.125 ( 9.450 0.000 -1.875) 9.634 7.625 ( -5.956 0.000 -3.374) 6.845 7.625 ( 5.956 0.000 -3.374) 6.845 7.927 ( -2.456 0.000 0.786) 2.579 7.927 ( 2.456 0.000 0.786) 2.579 8.380 ( -1.208 0.000 -2.783) 3.034 8.380 ( 1.208 0.000 -2.783) 3.034 8.686 ( -5.332 0.000 -1.434) 5.522 8.686 ( 5.332 0.000 -1.434) 5.522 8.735 ( -7.592 0.000 3.130) 8.212 8.735 ( 7.592 0.000 3.130) 8.212 9.442 ( -2.112 0.000 -5.929) 6.294 9.442 ( 2.112 0.000 -5.929) 6.294 9.851 ( -4.599 0.000 -3.253) 5.633 9.851 ( 4.599 0.000 -3.253) 5.633 9.895 ( -3.997 0.000 2.761) 4.858 9.895 ( 3.997 0.000 2.761) 4.858 10.038 ( -0.165 0.000 -1.473) 1.482 10.038 ( 0.165 0.000 -1.473) 1.482 10.514 ( -0.829 0.000 -1.823) 2.002 10.514 ( 0.829 0.000 -1.823) 2.002 10.655 ( -5.742 0.000 -2.493) 6.260 10.655 ( 5.742 0.000 -2.493) 6.260 10.999 ( -7.989 0.000 -3.898) 8.889 10.999 ( 7.989 0.000 -3.898) 8.889 11.303 ( -8.702 0.000 2.980) 9.198 11.303 ( 8.702 0.000 2.980) 9.198 11.511 ( -9.055 0.000 -0.335) 9.061 11.511 ( 9.055 0.000 -0.335) 9.061 11.729 ( -7.404 0.000 -1.414) 7.538 11.729 ( 7.404 0.000 -1.414) 7.538 12.182 ( -6.811 0.000 1.634) 7.004 12.182 ( 6.811 0.000 1.634) 7.004 12.479 ( -2.925 0.000 -3.922) 4.892 12.479 ( 2.925 0.000 -3.922) 4.892 12.625 ( -2.968 0.000 0.322) 2.985 12.625 ( 2.968 0.000 0.322) 2.985 13.188 ( -4.633 0.000 -3.488) 5.800 13.188 ( 4.633 0.000 -3.488) 5.800 13.266 ( -5.609 0.000 1.296) 5.757 13.266 ( 5.609 0.000 1.296) 5.757 13.530 ( -0.763 0.000 -1.084) 1.326 13.530 ( 0.763 0.000 -1.084) 1.326 13.581 ( -2.226 0.000 -2.656) 3.465 13.581 ( 2.226 0.000 -2.656) 3.465 13.686 ( -4.354 0.000 -1.313) 4.548 13.686 ( 4.354 0.000 -1.313) 4.548 13.976 ( -2.001 0.000 7.471) 7.734 13.976 ( 2.001 0.000 7.471) 7.734 14.813 ( -1.350 0.000 1.382) 1.932 14.813 ( 1.350 0.000 1.382) 1.932 15.130 ( -4.319 0.000 -0.850) 4.401 15.130 ( 4.319 0.000 -0.850) 4.401 15.754 ( -2.365 0.000 1.219) 2.661 15.754 ( 2.365 0.000 1.219) 2.661 15.951 ( -1.353 0.000 -1.679) 2.156 15.951 ( 1.353 0.000 -1.679) 2.156 16.076 ( -1.215 0.000 -1.725) 2.110 16.076 ( 1.215 0.000 -1.725) 2.110 16.239 ( -2.600 0.000 0.249) 2.612 16.239 ( 2.600 0.000 0.249) 2.612 18.748 ( -4.481 0.000 -1.425) 4.702 18.748 ( 4.481 0.000 -1.425) 4.702 19.699 ( -5.545 0.000 -15.353) 16.324 19.699 ( 5.545 0.000 -15.353) 16.324 20.074 ( -0.042 0.000 -1.808) 1.809 20.074 ( 0.042 0.000 -1.808) 1.809 20.348 ( -2.857 0.000 -1.302) 3.139 20.348 ( 2.857 0.000 -1.302) 3.139 21.163 ( -12.737 0.000 1.684) 12.848 21.163 ( 12.737 0.000 1.684) 12.848 21.466 ( -16.338 0.000 18.004) 24.312 21.466 ( 16.338 0.000 18.004) 24.312 24.106 ( -0.737 0.000 2.001) 2.132 24.106 ( 0.737 0.000 2.001) 2.132 24.475 ( -0.429 0.000 -1.486) 1.547 24.475 ( 0.429 0.000 -1.486) 1.547 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 19.045 25.179) 31.570 0.946 ( 0.000 25.068 18.954) 31.427 1.355 ( 0.000 29.920 34.047) 45.325 1.649 ( 0.000 -0.082 5.973) 5.973 2.025 ( 0.000 4.684 6.829) 8.281 2.050 ( 0.000 0.293 5.118) 5.126 2.074 ( 0.000 -1.303 19.327) 19.371 2.101 ( 0.000 -2.389 6.641) 7.058 2.617 ( 0.000 -14.103 10.987) 17.878 2.716 ( 0.000 -6.692 3.857) 7.724 2.768 ( 0.000 -12.751 1.940) 12.898 2.875 ( 0.000 1.651 -0.823) 1.845 2.891 ( 0.000 0.247 7.262) 7.267 3.003 ( 0.000 8.833 15.510) 17.848 3.154 ( 0.000 6.839 -5.694) 8.899 3.202 ( 0.000 1.895 2.887) 3.454 3.315 ( 0.000 -3.371 -5.064) 6.084 3.343 ( 0.000 6.796 -0.030) 6.796 3.415 ( 0.000 -9.629 -3.478) 10.238 3.510 ( 0.000 0.261 -6.124) 6.130 3.567 ( 0.000 2.119 7.191) 7.496 3.687 ( 0.000 -1.390 -3.190) 3.480 3.792 ( 0.000 7.792 -0.555) 7.812 3.832 ( 0.000 -0.427 8.027) 8.039 3.924 ( 0.000 -7.336 6.418) 9.747 3.996 ( 0.000 -2.543 7.691) 8.101 4.049 ( 0.000 -11.933 5.332) 13.070 4.092 ( 0.000 10.935 -3.436) 11.462 4.367 ( 0.000 5.470 6.385) 8.407 4.374 ( 0.000 5.089 -10.565) 11.727 4.787 ( 0.000 0.653 2.291) 2.382 4.789 ( 0.000 1.727 9.284) 9.443 5.209 ( 0.000 7.643 -0.026) 7.643 5.483 ( 0.000 -2.164 -10.090) 10.319 5.559 ( 0.000 -0.407 -0.322) 0.519 5.729 ( 0.000 -2.880 9.329) 9.763 5.789 ( 0.000 5.240 4.891) 7.168 5.819 ( 0.000 1.771 -8.337) 8.523 6.016 ( 0.000 -4.253 0.701) 4.310 6.648 ( 0.000 -0.500 -0.887) 1.018 6.806 ( 0.000 -1.028 3.038) 3.207 6.860 ( 0.000 -11.268 1.768) 11.406 7.267 ( 0.000 4.471 -3.472) 5.661 7.548 ( 0.000 4.020 3.529) 5.349 7.569 ( 0.000 -0.961 -1.664) 1.922 7.745 ( 0.000 1.714 -3.019) 3.471 8.072 ( 0.000 -4.663 0.518) 4.692 8.123 ( 0.000 5.148 -13.312) 14.272 8.226 ( 0.000 -4.550 -1.166) 4.697 8.283 ( 0.000 -3.664 -3.231) 4.886 8.458 ( 0.000 2.776 -0.271) 2.790 8.502 ( 0.000 -0.458 4.295) 4.320 8.891 ( 0.000 4.413 4.586) 6.365 9.136 ( 0.000 2.261 -0.396) 2.296 9.258 ( 0.000 0.859 2.287) 2.443 9.436 ( 0.000 6.894 -6.275) 9.322 9.736 ( 0.000 3.115 -6.058) 6.812 9.849 ( 0.000 -3.212 -5.594) 6.451 9.897 ( 0.000 -0.786 3.288) 3.380 10.073 ( 0.000 2.849 5.929) 6.578 10.142 ( 0.000 -3.154 -2.509) 4.030 10.160 ( 0.000 -0.842 -7.585) 7.632 10.275 ( 0.000 -9.898 6.261) 11.712 10.436 ( 0.000 0.602 1.535) 1.649 10.617 ( 0.000 -0.410 -10.301) 10.309 10.635 ( 0.000 1.634 -9.612) 9.750 10.701 ( 0.000 6.970 -4.777) 8.450 10.965 ( 0.000 -0.252 6.526) 6.531 11.005 ( 0.000 -1.695 -7.454) 7.644 11.095 ( 0.000 -2.151 -3.022) 3.710 11.400 ( 0.000 -0.827 -0.479) 0.956 11.553 ( 0.000 -11.034 -0.836) 11.066 11.799 ( 0.000 -8.836 8.670) 12.379 11.858 ( 0.000 1.049 -7.657) 7.728 12.141 ( 0.000 0.421 13.023) 13.030 12.240 ( 0.000 -8.932 4.678) 10.083 12.461 ( 0.000 4.202 -0.830) 4.283 12.561 ( 0.000 1.971 -3.422) 3.949 12.597 ( 0.000 -0.174 -1.648) 1.657 12.845 ( 0.000 1.607 -0.220) 1.622 12.914 ( 0.000 5.098 0.839) 5.166 13.178 ( 0.000 6.109 0.333) 6.118 13.292 ( 0.000 -3.582 -0.364) 3.600 13.387 ( 0.000 3.056 -0.513) 3.099 13.485 ( 0.000 4.436 -5.029) 6.706 13.529 ( 0.000 -1.216 -3.411) 3.622 13.562 ( 0.000 0.400 -2.125) 2.162 13.616 ( 0.000 2.113 3.477) 4.069 13.723 ( 0.000 -4.928 0.797) 4.992 13.821 ( 0.000 -1.231 -1.165) 1.695 14.073 ( 0.000 -2.930 6.818) 7.421 14.177 ( 0.000 -10.937 8.549) 13.882 14.778 ( 0.000 0.410 1.107) 1.180 14.882 ( 0.000 -0.975 -0.283) 1.015 15.363 ( 0.000 3.359 -3.119) 4.584 15.413 ( 0.000 16.612 -16.491) 23.407 15.698 ( 0.000 1.016 2.447) 2.650 15.884 ( 0.000 -2.058 1.040) 2.306 15.891 ( 0.000 1.149 -1.016) 1.534 15.915 ( 0.000 1.828 1.362) 2.280 16.011 ( 0.000 0.024 -3.881) 3.881 16.077 ( 0.000 -0.166 -0.631) 0.653 16.119 ( 0.000 1.922 -0.170) 1.929 16.265 ( 0.000 -0.810 -1.590) 1.785 18.453 ( 0.000 2.151 2.786) 3.520 18.583 ( 0.000 0.040 0.201) 0.205 18.795 ( 0.000 5.817 -2.951) 6.523 19.440 ( 0.000 -5.866 -11.991) 13.349 20.090 ( 0.000 1.696 0.081) 1.698 20.150 ( 0.000 1.769 4.381) 4.724 20.390 ( 0.000 -6.375 0.854) 6.432 20.442 ( 0.000 -5.466 1.299) 5.618 20.596 ( 0.000 3.633 6.058) 7.064 20.736 ( 0.000 -3.921 10.479) 11.189 21.799 ( 0.000 5.557 6.673) 8.684 22.623 ( 0.000 -10.760 -1.973) 10.939 24.086 ( 0.000 3.667 1.637) 4.015 24.122 ( 0.000 4.014 2.245) 4.599 24.370 ( 0.000 -3.144 -1.149) 3.348 24.491 ( 0.000 -0.816 -1.928) 2.093 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 1.233 17.137 18.127) 24.976 1.119 ( 15.340 24.131 11.975) 31.000 1.642 ( 6.811 5.228 12.701) 15.331 1.734 ( 18.155 12.342 20.464) 30.012 1.988 ( -4.342 -1.110 10.904) 11.789 2.030 ( -0.619 1.642 5.588) 5.857 2.114 ( 2.297 -1.081 9.127) 9.473 2.193 ( 10.567 2.632 8.122) 13.585 2.564 ( -4.112 -9.047 8.895) 13.337 2.688 ( -6.032 -4.694 3.108) 8.251 2.700 ( -7.659 0.187 1.541) 7.815 2.799 ( -5.575 0.900 5.255) 7.714 2.832 ( 0.216 -3.562 3.776) 5.196 2.922 ( -6.382 6.517 10.099) 13.608 3.140 ( -1.771 6.666 -2.889) 7.478 3.168 ( -1.945 -2.539 -0.342) 3.217 3.298 ( -3.736 0.387 -5.046) 6.290 3.348 ( 0.396 2.353 4.454) 5.053 3.420 ( 2.163 -6.535 -1.648) 7.078 3.511 ( -4.417 4.825 -4.705) 8.058 3.603 ( -4.279 2.436 9.310) 10.532 3.645 ( 5.390 1.401 -2.830) 6.247 3.745 ( 0.727 -1.629 0.501) 1.853 3.800 ( -2.677 0.804 6.539) 7.112 3.904 ( -3.475 1.974 7.685) 8.662 3.994 ( 1.096 -2.851 -1.032) 3.225 4.111 ( 0.749 -1.073 10.044) 10.129 4.144 ( 7.416 -8.578 2.947) 11.717 4.286 ( -1.394 2.220 2.888) 3.900 4.484 ( 5.887 4.918 -2.899) 8.201 4.799 ( 1.471 0.501 3.804) 4.109 4.828 ( 3.059 0.955 7.681) 8.323 5.198 ( -0.620 7.299 -0.683) 7.357 5.467 ( -3.267 2.980 -3.347) 5.546 5.553 ( -2.341 -0.233 -0.240) 2.365 5.599 ( -7.692 -0.990 6.433) 10.077 5.715 ( -4.153 5.322 -1.942) 7.024 5.869 ( 1.841 0.151 -7.661) 7.881 6.132 ( 7.058 -6.857 3.433) 10.422 6.718 ( 2.800 -6.474 -3.822) 8.022 6.812 ( -0.795 -4.802 2.101) 5.302 6.869 ( 3.663 -3.552 2.302) 5.598 7.225 ( -4.384 4.256 -2.695) 6.678 7.506 ( -2.578 5.033 0.453) 5.673 7.604 ( 3.038 -1.386 -2.789) 4.351 7.707 ( -6.983 1.377 -2.839) 7.663 7.967 ( -6.117 0.448 -3.736) 7.182 8.021 ( -5.614 -2.876 -1.259) 6.432 8.260 ( 2.893 -3.632 -0.546) 4.675 8.371 ( 4.677 -1.408 -4.481) 6.628 8.477 ( 1.877 2.137 -0.843) 2.967 8.540 ( 3.321 -1.854 3.674) 5.288 8.872 ( -2.039 4.620 3.613) 6.210 9.096 ( -7.235 -0.598 -0.512) 7.277 9.194 ( 0.208 2.130 3.448) 4.058 9.429 ( 0.285 7.298 -6.465) 9.754 9.781 ( 2.826 0.848 -5.966) 6.656 9.835 ( -1.250 -2.356 -5.282) 5.917 9.948 ( 0.638 -1.396 0.913) 1.786 10.057 ( -6.336 -2.631 -3.182) 7.562 10.110 ( 7.172 0.667 3.199) 7.881 10.165 ( -6.076 -5.891 2.262) 8.760 10.258 ( 3.716 -1.904 -1.184) 4.340 10.432 ( 0.111 3.460 -0.571) 3.509 10.610 ( 2.006 -0.553 -4.909) 5.332 10.683 ( 0.186 -0.557 -7.612) 7.635 10.752 ( 2.885 2.022 -6.623) 7.501 10.992 ( 3.483 -4.068 -0.352) 5.367 11.066 ( 5.799 1.720 -4.657) 7.634 11.180 ( 7.164 0.027 0.261) 7.168 11.434 ( 3.377 0.007 -0.317) 3.392 11.604 ( 3.325 -9.959 -2.022) 10.693 11.720 ( -6.840 -4.754 7.706) 11.348 11.888 ( 1.594 -0.893 -2.904) 3.431 12.053 ( -4.379 3.491 7.074) 9.022 12.253 ( 0.449 -7.655 5.546) 9.464 12.445 ( -1.451 4.524 -0.733) 4.807 12.560 ( -0.267 1.391 -3.840) 4.093 12.597 ( -0.147 0.714 -1.418) 1.594 12.827 ( -3.582 1.363 0.906) 3.938 12.963 ( 5.838 3.349 -2.250) 7.097 13.184 ( 0.761 5.397 0.489) 5.472 13.304 ( 0.515 -2.600 -1.232) 2.922 13.384 ( 0.328 2.487 -0.510) 2.560 13.487 ( -0.501 2.523 -3.725) 4.527 13.494 ( -2.496 0.540 -2.281) 3.424 13.572 ( 0.976 0.252 -2.076) 2.308 13.618 ( -0.184 -0.147 0.852) 0.884 13.680 ( -3.117 -1.373 1.360) 3.668 13.797 ( -2.454 -1.943 -1.329) 3.401 14.043 ( -2.744 -1.951 7.108) 7.865 14.118 ( -4.555 -5.225 7.948) 10.546 14.779 ( 0.181 0.247 1.133) 1.174 14.868 ( -1.290 -0.802 -0.099) 1.522 15.210 ( -7.923 12.830 -2.627) 15.306 15.357 ( -4.774 4.122 -4.154) 7.553 15.701 ( 0.478 0.864 2.120) 2.339 15.830 ( -1.821 -1.296 1.151) 2.514 15.915 ( 0.314 1.087 0.671) 1.315 15.961 ( 1.581 -0.574 -4.044) 4.380 16.028 ( 1.383 0.377 -3.627) 3.900 16.079 ( 0.288 -0.536 -0.283) 0.671 16.140 ( 2.182 1.794 0.407) 2.854 16.279 ( 0.473 -0.699 -0.774) 1.145 18.518 ( 6.333 2.861 1.586) 7.128 18.786 ( 3.504 2.787 -2.852) 5.309 19.099 ( 28.931 -12.799 -18.861) 36.832 19.481 ( 4.958 -5.367 -13.730) 15.553 20.092 ( 0.227 2.010 -0.475) 2.078 20.146 ( -0.493 1.872 3.632) 4.116 20.332 ( -3.569 -3.560 1.172) 5.175 20.430 ( -1.816 -4.012 0.797) 4.476 20.690 ( 8.889 1.289 4.460) 10.029 20.823 ( 8.749 -4.872 12.274) 15.840 21.717 ( -8.277 4.879 6.977) 11.874 22.336 ( -23.945 -3.049 7.389) 25.244 24.095 ( 0.985 3.637 1.702) 4.134 24.128 ( 0.575 3.721 1.912) 4.223 24.392 ( 1.668 -3.848 -1.582) 4.482 24.489 ( -0.349 -0.946 -1.935) 2.182 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 21.007 3.635 -0.221) 21.320 1.453 ( 15.588 15.392 2.092) 22.006 1.710 ( 3.566 -1.760 2.811) 4.870 1.889 ( -5.143 -2.987 8.012) 9.978 1.984 ( -3.501 0.147 6.998) 7.826 2.047 ( 9.166 6.237 14.162) 17.985 2.138 ( 0.558 0.860 5.946) 6.034 2.371 ( -1.054 4.848 -0.047) 4.961 2.421 ( -10.071 9.743 3.063) 14.343 2.582 ( -2.615 -5.971 4.162) 7.734 2.617 ( 2.881 -0.948 10.482) 10.912 2.715 ( -9.248 3.829 7.933) 12.772 2.823 ( 10.022 2.998 6.200) 12.161 2.939 ( 4.622 -0.980 5.663) 7.375 3.088 ( -3.352 3.657 3.245) 5.928 3.145 ( -0.127 -7.645 -2.882) 8.171 3.231 ( -2.327 0.691 -1.273) 2.741 3.344 ( 0.088 3.777 2.526) 4.545 3.386 ( -4.039 3.598 -3.997) 6.726 3.472 ( 1.468 -2.581 -0.626) 3.034 3.575 ( -0.433 3.164 8.064) 8.673 3.679 ( -0.480 -0.100 1.875) 1.938 3.714 ( -5.898 0.746 5.396) 8.029 3.811 ( -2.036 -1.750 0.125) 2.687 3.858 ( 2.706 1.595 4.387) 5.396 4.002 ( -0.678 -3.572 1.388) 3.892 4.112 ( 0.439 1.430 12.586) 12.675 4.188 ( -0.693 -2.572 9.362) 9.734 4.405 ( 9.764 -5.352 -0.500) 11.145 4.574 ( 2.567 2.095 -1.630) 3.693 4.837 ( 2.251 0.373 3.983) 4.590 4.875 ( 1.130 0.298 6.446) 6.551 5.203 ( 1.617 6.771 0.606) 6.988 5.390 ( -5.906 4.783 9.485) 12.155 5.438 ( -2.324 3.335 -2.362) 4.701 5.528 ( -3.523 -1.458 -4.116) 5.611 5.653 ( -1.601 4.011 -0.668) 4.370 5.820 ( -6.396 -0.871 -4.008) 7.598 6.295 ( 9.954 -6.472 4.077) 12.553 6.659 ( -7.046 -10.657 1.021) 12.817 6.848 ( 3.817 -0.061 -0.974) 3.940 6.953 ( 3.111 -2.360 0.960) 4.021 7.128 ( -3.693 5.548 -2.114) 6.992 7.404 ( -11.371 6.322 -6.061) 14.353 7.563 ( -0.170 1.051 0.529) 1.189 7.672 ( 1.536 -2.914 -5.589) 6.487 7.899 ( -3.788 -2.464 1.390) 4.728 7.930 ( -1.928 -2.448 -0.230) 3.124 8.322 ( 3.221 -1.894 -1.598) 4.064 8.413 ( -0.536 0.094 -3.594) 3.635 8.539 ( 4.714 -0.585 -0.185) 4.754 8.606 ( 3.036 -2.562 2.755) 4.834 8.823 ( -2.483 4.930 1.029) 5.615 8.930 ( -8.035 1.698 1.271) 8.310 9.283 ( 7.491 -2.949 -1.089) 8.124 9.463 ( 2.440 5.012 -5.553) 7.868 9.782 ( -3.652 -1.216 -5.596) 6.792 9.828 ( 1.366 -0.413 -1.171) 1.846 9.857 ( -8.246 -11.179 -1.838) 14.012 9.966 ( -2.989 2.481 0.355) 3.901 10.088 ( 0.341 2.248 1.614) 2.789 10.220 ( -0.920 0.736 -5.736) 5.855 10.354 ( 7.920 -1.293 2.272) 8.341 10.451 ( 1.447 0.240 0.350) 1.508 10.639 ( -0.875 -0.192 -5.620) 5.691 10.686 ( -0.561 -3.849 -6.288) 7.394 10.804 ( 6.153 -1.059 -1.146) 6.348 11.034 ( -0.484 -3.998 -6.550) 7.689 11.209 ( 7.543 3.797 0.809) 8.483 11.345 ( 9.789 2.097 0.697) 10.036 11.487 ( -3.328 0.717 9.576) 10.163 11.560 ( -0.511 -0.695 -5.948) 6.010 11.660 ( -1.262 -4.373 1.134) 4.691 11.850 ( -5.904 -1.777 0.502) 6.186 12.066 ( 5.346 1.973 1.504) 5.893 12.261 ( -0.782 -3.193 1.854) 3.774 12.429 ( 1.236 3.103 -0.236) 3.348 12.553 ( -0.810 1.831 -4.612) 5.027 12.595 ( 0.251 0.390 -0.968) 1.073 12.723 ( -6.373 1.108 1.482) 6.636 13.093 ( 6.473 1.564 -4.135) 7.839 13.212 ( 1.901 3.624 -0.551) 4.129 13.285 ( -1.867 1.787 -1.753) 3.123 13.405 ( -4.620 1.854 0.284) 4.986 13.434 ( 4.116 -0.635 -0.282) 4.174 13.506 ( 1.226 0.449 -3.293) 3.543 13.584 ( -1.367 -1.502 -0.429) 2.076 13.608 ( 1.040 -1.061 -5.926) 6.110 13.637 ( -1.946 0.261 1.587) 2.525 13.730 ( -4.158 -3.316 -1.798) 5.614 13.991 ( -1.946 0.313 8.533) 8.758 14.036 ( -3.660 -1.161 7.943) 8.823 14.789 ( 0.825 -0.066 1.033) 1.324 14.839 ( -1.616 -0.473 0.351) 1.720 15.139 ( -0.380 6.851 -0.540) 6.883 15.254 ( -5.297 2.774 -2.030) 6.315 15.719 ( 1.431 0.544 1.611) 2.222 15.794 ( -2.035 -0.714 0.999) 2.377 15.929 ( 1.057 0.451 -0.561) 1.279 15.970 ( -0.418 -0.278 -3.832) 3.864 16.052 ( 1.108 0.241 -2.240) 2.511 16.084 ( -0.096 -0.718 -0.515) 0.889 16.192 ( 2.897 1.184 0.600) 3.187 16.274 ( -0.965 -0.255 0.028) 0.999 18.663 ( 7.745 3.765 -0.432) 8.622 18.825 ( 0.387 3.919 -2.452) 4.639 19.431 ( 8.989 -13.338 -13.829) 21.212 19.609 ( 3.926 -10.049 -18.135) 21.102 20.101 ( 0.692 3.007 -1.434) 3.402 20.131 ( -0.948 2.631 1.758) 3.303 20.298 ( 0.405 -1.518 -0.204) 1.584 20.385 ( -2.626 -2.246 -1.271) 3.682 20.910 ( 13.484 0.841 4.215) 14.152 21.063 ( 15.763 -4.316 11.776) 20.144 21.497 ( -13.758 2.956 8.324) 16.349 21.860 ( -23.931 -0.162 12.980) 27.225 24.119 ( 1.265 3.330 1.461) 3.850 24.139 ( 0.375 3.359 1.511) 3.703 24.423 ( 1.557 -3.456 -1.483) 4.070 24.476 ( -1.018 -1.447 -1.663) 2.428 ======================= Grid point 59 (24/64) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -16.995 -1.753 -7.473) 18.648 1.444 ( 16.995 -1.753 -7.473) 18.648 1.804 ( -5.020 -1.627 4.847) 7.165 1.804 ( 5.020 -1.627 4.847) 7.165 2.025 ( -8.421 6.105 9.596) 14.151 2.025 ( 8.421 6.105 9.596) 14.151 2.199 ( -6.975 7.738 3.383) 10.953 2.199 ( 6.975 7.738 3.383) 10.953 2.460 ( -9.962 0.984 3.474) 10.597 2.460 ( 9.962 0.984 3.474) 10.597 2.644 ( -0.549 2.131 5.568) 5.987 2.644 ( 0.549 2.131 5.568) 5.987 2.989 ( -2.015 -3.963 3.607) 5.725 2.989 ( 2.015 -3.963 3.607) 5.725 3.078 ( -5.808 -1.207 8.449) 10.324 3.078 ( 5.808 -1.207 8.449) 10.324 3.301 ( -4.938 2.580 -2.453) 6.087 3.301 ( 4.938 2.580 -2.453) 6.087 3.437 ( -6.997 4.158 -0.357) 8.147 3.437 ( 6.997 4.158 -0.357) 8.147 3.584 ( -3.642 2.845 7.800) 9.066 3.584 ( 3.642 2.845 7.800) 9.066 3.709 ( -4.332 -0.801 -0.088) 4.406 3.709 ( 4.332 -0.801 -0.088) 4.406 3.950 ( -4.650 -2.893 4.377) 7.010 3.950 ( 4.650 -2.893 4.377) 7.010 4.154 ( -2.788 -0.726 10.793) 11.171 4.154 ( 2.788 -0.726 10.793) 11.171 4.554 ( -4.798 -1.996 -0.816) 5.260 4.554 ( 4.798 -1.996 -0.816) 5.260 4.872 ( -1.116 0.400 4.493) 4.647 4.872 ( 1.116 0.400 4.493) 4.647 5.270 ( -5.241 5.857 5.255) 9.455 5.270 ( 5.241 5.857 5.255) 9.455 5.465 ( -2.852 1.001 -4.061) 5.063 5.465 ( 2.852 1.001 -4.061) 5.063 5.686 ( -5.503 1.493 0.636) 5.737 5.686 ( 5.503 1.493 0.636) 5.737 6.492 ( -9.849 -8.280 3.051) 13.223 6.492 ( 9.849 -8.280 3.051) 13.223 6.929 ( -4.215 -0.705 -0.652) 4.323 6.929 ( 4.215 -0.705 -0.652) 4.323 7.186 ( -9.016 5.556 -3.082) 11.030 7.186 ( 9.016 5.556 -3.082) 11.030 7.627 ( -4.791 -0.052 -4.389) 6.497 7.627 ( 4.791 -0.052 -4.389) 6.497 7.891 ( -2.133 -3.455 1.583) 4.358 7.891 ( 2.133 -3.455 1.583) 4.358 8.378 ( -2.543 -0.228 -2.655) 3.683 8.378 ( 2.543 -0.228 -2.655) 3.683 8.622 ( -2.386 -3.385 1.573) 4.430 8.622 ( 2.386 -3.385 1.573) 4.430 8.816 ( -2.993 4.986 0.198) 5.818 8.816 ( 2.993 4.986 0.198) 5.818 9.436 ( -6.559 -1.750 -4.875) 8.358 9.436 ( 6.559 -1.750 -4.875) 8.358 9.744 ( -2.531 -5.057 -2.676) 6.256 9.744 ( 2.531 -5.057 -2.676) 6.256 9.884 ( -4.097 -1.093 2.391) 4.868 9.884 ( 4.097 -1.093 2.391) 4.868 10.154 ( -4.571 6.560 -3.957) 8.921 10.154 ( 4.571 6.560 -3.957) 8.921 10.458 ( -1.787 -4.794 0.497) 5.140 10.458 ( 1.787 -4.794 0.497) 5.140 10.644 ( -2.116 -0.511 -4.835) 5.303 10.644 ( 2.116 -0.511 -4.835) 5.303 10.956 ( -7.271 -3.207 -3.228) 8.577 10.956 ( 7.271 -3.207 -3.228) 8.577 11.346 ( -7.304 2.746 2.765) 8.278 11.346 ( 7.304 2.746 2.765) 8.278 11.526 ( -7.556 1.346 0.381) 7.685 11.526 ( 7.556 1.346 0.381) 7.685 11.709 ( -7.363 -1.751 -0.218) 7.571 11.709 ( 7.363 -1.751 -0.218) 7.571 12.189 ( -6.049 0.590 0.624) 6.110 12.189 ( 6.049 0.590 0.624) 6.110 12.502 ( -4.573 2.112 -2.841) 5.783 12.502 ( 4.573 2.112 -2.841) 5.783 12.623 ( -3.139 -0.311 0.479) 3.190 12.623 ( 3.139 -0.311 0.479) 3.190 13.193 ( -3.910 1.018 -4.537) 6.075 13.193 ( 3.910 1.018 -4.537) 6.075 13.310 ( -4.389 4.098 1.483) 6.185 13.310 ( 4.389 4.098 1.483) 6.185 13.521 ( -1.833 -1.133 -1.055) 2.399 13.521 ( 1.833 -1.133 -1.055) 2.399 13.567 ( -2.397 -1.441 -3.329) 4.347 13.567 ( 2.397 -1.441 -3.329) 4.347 13.659 ( -3.028 -2.397 -2.126) 4.409 13.659 ( 3.028 -2.397 -2.126) 4.409 13.985 ( -1.359 0.727 9.060) 9.190 13.985 ( 1.359 0.727 9.060) 9.190 14.810 ( -1.330 -0.237 0.767) 1.553 14.810 ( 1.330 -0.237 0.767) 1.553 15.169 ( -3.214 3.640 -1.023) 4.963 15.169 ( 3.214 3.640 -1.023) 4.963 15.754 ( -2.043 0.017 1.225) 2.382 15.754 ( 2.043 0.017 1.225) 2.382 15.952 ( -1.213 0.114 -2.247) 2.556 15.952 ( 1.213 0.114 -2.247) 2.556 16.072 ( -0.956 -0.317 -1.192) 1.561 16.072 ( 0.956 -0.317 -1.192) 1.561 16.243 ( -2.230 0.347 0.395) 2.291 16.243 ( 2.230 0.347 0.395) 2.291 18.786 ( -4.470 4.048 -1.945) 6.336 18.786 ( 4.470 4.048 -1.945) 6.336 19.574 ( -5.910 -11.542 -13.274) 18.557 19.574 ( 5.910 -11.542 -13.274) 18.557 20.115 ( -0.712 3.202 -0.167) 3.285 20.115 ( 0.712 3.202 -0.167) 3.285 20.333 ( -2.619 -1.393 -2.254) 3.726 20.333 ( 2.619 -1.393 -2.254) 3.726 21.191 ( -14.482 2.660 2.705) 14.971 21.191 ( 14.482 2.660 2.705) 14.971 21.434 ( -19.502 -3.028 16.213) 25.541 21.434 ( 19.502 -3.028 16.213) 25.541 24.137 ( -0.553 3.190 1.330) 3.500 24.137 ( 0.553 3.190 1.330) 3.500 24.452 ( -1.413 -2.405 -1.444) 3.141 24.452 ( 1.413 -2.405 -1.444) 3.141 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 22.481 15.060) 27.059 1.319 ( 0.000 16.024 25.521) 30.135 1.629 ( 0.000 -2.409 14.143) 14.347 1.892 ( 0.000 13.468 1.408) 13.542 1.981 ( 0.000 -8.983 6.958) 11.362 2.057 ( 0.000 -0.498 11.601) 11.612 2.146 ( 0.000 7.969 7.391) 10.869 2.231 ( 0.000 23.400 12.195) 26.387 2.394 ( 0.000 -7.589 10.151) 12.674 2.528 ( 0.000 -12.215 3.536) 12.717 2.592 ( 0.000 -4.731 7.891) 9.201 2.951 ( 0.000 6.341 -2.639) 6.869 2.992 ( 0.000 7.444 0.803) 7.487 3.191 ( 0.000 -10.396 -3.339) 10.919 3.218 ( 0.000 11.923 7.623) 14.152 3.222 ( 0.000 -4.030 -7.267) 8.310 3.255 ( 0.000 4.858 4.974) 6.953 3.267 ( 0.000 -0.214 -1.603) 1.618 3.465 ( 0.000 0.091 -0.453) 0.462 3.535 ( 0.000 2.631 -3.556) 4.424 3.594 ( 0.000 0.329 2.003) 2.030 3.675 ( 0.000 -16.090 1.191) 16.134 3.681 ( 0.000 1.262 1.666) 2.090 3.794 ( 0.000 -10.759 6.359) 12.498 3.819 ( 0.000 -0.364 7.075) 7.085 3.935 ( 0.000 0.316 8.093) 8.099 3.965 ( 0.000 3.099 5.639) 6.434 4.193 ( 0.000 -0.040 -0.954) 0.955 4.424 ( 0.000 1.529 -5.691) 5.893 4.445 ( 0.000 2.551 4.357) 5.049 4.803 ( 0.000 0.995 3.420) 3.562 4.815 ( 0.000 0.820 7.078) 7.125 5.389 ( 0.000 9.254 -2.541) 9.597 5.451 ( 0.000 -0.860 -8.619) 8.662 5.552 ( 0.000 0.360 -1.439) 1.483 5.764 ( 0.000 6.571 5.625) 8.649 5.797 ( 0.000 -5.235 -1.755) 5.522 5.917 ( 0.000 8.665 5.672) 10.357 5.944 ( 0.000 -2.581 -4.643) 5.312 6.500 ( 0.000 -17.008 0.063) 17.009 6.727 ( 0.000 -0.305 3.420) 3.434 6.780 ( 0.000 -1.645 2.477) 2.973 7.371 ( 0.000 5.993 -1.287) 6.130 7.534 ( 0.000 -2.723 0.168) 2.728 7.622 ( 0.000 4.694 4.306) 6.370 7.785 ( 0.000 1.747 -6.185) 6.427 7.971 ( 0.000 -4.859 4.940) 6.929 8.107 ( 0.000 -5.496 -9.611) 11.071 8.161 ( 0.000 -2.229 -2.670) 3.478 8.196 ( 0.000 -4.380 -2.685) 5.137 8.503 ( 0.000 1.961 1.582) 2.520 8.514 ( 0.000 1.186 1.882) 2.224 8.980 ( 0.000 4.835 3.698) 6.087 9.147 ( 0.000 -2.679 -1.252) 2.958 9.316 ( 0.000 7.396 -0.234) 7.400 9.618 ( 0.000 11.290 -7.053) 13.312 9.704 ( 0.000 -9.635 -7.331) 12.107 9.829 ( 0.000 4.571 -6.067) 7.597 9.914 ( 0.000 2.072 2.709) 3.411 10.027 ( 0.000 -6.157 -1.902) 6.444 10.052 ( 0.000 -8.511 -1.297) 8.609 10.155 ( 0.000 -4.628 0.871) 4.709 10.195 ( 0.000 7.282 5.180) 8.936 10.421 ( 0.000 -2.750 2.771) 3.904 10.613 ( 0.000 0.191 -14.269) 14.270 10.634 ( 0.000 -0.653 -11.491) 11.509 10.880 ( 0.000 8.073 -2.451) 8.437 10.986 ( 0.000 4.592 3.805) 5.963 10.990 ( 0.000 -1.487 -5.508) 5.706 11.065 ( 0.000 0.693 -1.219) 1.402 11.345 ( 0.000 -9.944 -2.243) 10.194 11.363 ( 0.000 -3.972 -2.682) 4.793 11.680 ( 0.000 -2.916 12.242) 12.585 11.828 ( 0.000 -4.640 -0.437) 4.661 12.108 ( 0.000 -4.313 5.285) 6.821 12.108 ( 0.000 -2.324 11.044) 11.286 12.575 ( 0.000 0.252 -2.372) 2.385 12.582 ( 0.000 4.200 -1.899) 4.609 12.598 ( 0.000 3.308 -0.658) 3.373 12.829 ( 0.000 -3.526 0.290) 3.538 13.017 ( 0.000 5.799 0.353) 5.810 13.216 ( 0.000 -4.538 -0.127) 4.539 13.334 ( 0.000 8.042 -5.647) 9.826 13.480 ( 0.000 7.271 0.269) 7.276 13.495 ( 0.000 -2.384 -5.617) 6.102 13.556 ( 0.000 2.437 -3.765) 4.485 13.571 ( 0.000 0.664 -1.989) 2.097 13.666 ( 0.000 2.967 3.809) 4.828 13.673 ( 0.000 -0.819 -3.328) 3.428 13.785 ( 0.000 -2.741 1.140) 2.969 14.006 ( 0.000 -3.792 6.187) 7.256 14.030 ( 0.000 -6.201 8.264) 10.332 14.794 ( 0.000 1.226 -0.289) 1.259 14.856 ( 0.000 -1.671 -0.858) 1.878 15.442 ( 0.000 4.610 -3.322) 5.682 15.549 ( 0.000 1.071 -9.858) 9.916 15.727 ( 0.000 2.080 2.510) 3.260 15.834 ( 0.000 -3.140 2.089) 3.772 15.921 ( 0.000 1.943 -1.169) 2.268 15.963 ( 0.000 3.089 0.727) 3.174 15.996 ( 0.000 -1.543 -2.713) 3.121 16.066 ( 0.000 -1.390 -1.024) 1.727 16.159 ( 0.000 2.373 -0.087) 2.375 16.242 ( 0.000 -1.648 -1.162) 2.017 18.505 ( 0.000 2.991 2.078) 3.642 18.579 ( 0.000 -0.662 0.731) 0.986 18.927 ( 0.000 8.325 -3.851) 9.173 19.292 ( 0.000 -9.550 -9.292) 13.325 20.127 ( 0.000 2.279 1.436) 2.694 20.190 ( 0.000 1.986 8.153) 8.391 20.284 ( 0.000 -4.330 -4.556) 6.286 20.347 ( 0.000 -4.430 1.169) 4.581 20.644 ( 0.000 1.672 7.871) 8.047 20.689 ( 0.000 -1.538 9.775) 9.895 21.945 ( 0.000 9.832 4.261) 10.715 22.396 ( 0.000 -12.963 -0.614) 12.977 24.147 ( 0.000 3.421 0.186) 3.426 24.239 ( 0.000 7.292 0.586) 7.316 24.298 ( 0.000 -4.235 -0.925) 4.335 24.454 ( 0.000 -3.306 -1.699) 3.717 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -4.486 20.284 12.064) 24.023 1.510 ( 10.410 16.698 16.846) 25.904 1.627 ( 0.516 -3.148 9.043) 9.589 1.922 ( -3.287 -0.094 6.932) 7.673 1.995 ( 3.606 -4.359 8.851) 10.504 2.028 ( -1.174 -0.203 7.385) 7.481 2.167 ( 2.069 6.633 3.626) 7.837 2.358 ( 9.289 14.318 10.068) 19.815 2.438 ( 6.734 -2.167 9.531) 11.869 2.555 ( 1.137 -5.236 4.056) 6.720 2.683 ( 6.390 -2.973 8.497) 11.040 2.807 ( -8.211 7.137 0.666) 10.899 2.901 ( -7.956 3.134 -1.150) 8.628 3.063 ( -5.111 -3.358 0.904) 6.182 3.100 ( -8.308 9.831 4.781) 13.730 3.228 ( -3.954 -0.785 -0.844) 4.118 3.296 ( 3.275 3.161 -5.498) 7.138 3.343 ( 1.888 -0.241 1.009) 2.154 3.448 ( -1.360 1.543 3.966) 4.468 3.596 ( -2.285 4.126 -2.281) 5.240 3.626 ( 1.917 -1.266 1.804) 2.921 3.654 ( 0.909 -6.908 -0.925) 7.029 3.683 ( 0.359 1.353 0.153) 1.408 3.756 ( 0.986 -7.158 0.471) 7.241 3.867 ( 0.143 -3.548 6.260) 7.197 3.926 ( -2.167 -4.011 7.287) 8.596 3.972 ( 5.403 -2.552 10.916) 12.444 4.114 ( -4.040 -2.254 7.230) 8.583 4.372 ( -1.360 6.362 0.957) 6.576 4.534 ( 4.291 0.023 -1.620) 4.587 4.817 ( 1.513 1.234 4.323) 4.743 4.838 ( 2.035 0.196 6.559) 6.871 5.361 ( -1.615 7.895 -5.199) 9.590 5.490 ( 0.265 -1.647 -7.134) 7.326 5.559 ( 0.845 2.247 -0.807) 2.533 5.630 ( -6.962 5.196 4.571) 9.817 5.828 ( -3.878 3.747 -1.070) 5.497 5.886 ( -2.378 2.054 -3.174) 4.466 6.006 ( 6.783 -3.771 5.961) 9.786 6.480 ( -2.271 -17.110 1.235) 17.304 6.773 ( 3.952 0.315 1.612) 4.280 6.826 ( 4.464 -1.782 2.340) 5.346 7.328 ( -4.066 6.306 -1.068) 7.578 7.538 ( 0.399 -3.509 -1.475) 3.827 7.614 ( -0.537 4.717 2.839) 5.532 7.732 ( -6.793 1.415 -5.866) 9.086 7.918 ( -4.371 -4.594 1.610) 6.543 7.958 ( -7.725 -4.148 -4.855) 10.022 8.212 ( 4.601 -1.036 -0.766) 4.778 8.306 ( 5.785 -4.781 -4.087) 8.546 8.514 ( 1.048 1.541 1.324) 2.286 8.528 ( 1.333 0.359 2.355) 2.730 8.964 ( -1.797 4.686 2.801) 5.747 9.081 ( -6.152 -1.538 0.505) 6.361 9.278 ( -2.407 7.306 -0.335) 7.700 9.562 ( -3.566 3.844 -7.112) 8.835 9.725 ( 0.651 -5.322 -5.596) 7.750 9.835 ( -0.284 3.890 -5.799) 6.989 9.901 ( -4.740 -3.574 -4.059) 7.192 10.006 ( 1.685 -2.339 1.891) 3.448 10.064 ( 0.476 -4.069 2.279) 4.687 10.116 ( -1.731 -2.921 -4.818) 5.895 10.258 ( 5.247 3.434 5.028) 8.038 10.437 ( 1.661 -2.746 4.834) 5.802 10.610 ( 0.189 0.992 -13.154) 13.193 10.660 ( 0.887 -1.376 -9.456) 9.597 10.829 ( -2.770 4.771 -2.459) 6.039 10.948 ( 0.543 -1.432 -3.610) 3.921 11.126 ( 8.960 5.249 -0.147) 10.386 11.198 ( 9.762 2.386 0.430) 10.059 11.404 ( 5.547 -7.402 -4.994) 10.512 11.435 ( 5.997 -4.424 -1.772) 7.660 11.640 ( -3.890 -1.926 11.968) 12.731 11.826 ( -0.589 -5.988 2.513) 6.520 12.075 ( -0.897 0.252 5.422) 5.501 12.142 ( 2.226 -4.003 5.529) 7.180 12.560 ( -1.464 4.097 -1.662) 4.657 12.573 ( -0.608 2.799 -1.762) 3.363 12.600 ( -0.042 0.417 -0.993) 1.078 12.806 ( -2.722 -3.579 1.009) 4.608 13.050 ( 3.551 5.364 -1.240) 6.552 13.237 ( 1.990 -4.048 -0.994) 4.619 13.328 ( -0.392 7.580 -4.514) 8.831 13.454 ( -2.163 3.876 -1.204) 4.599 13.488 ( -0.982 0.577 -3.583) 3.759 13.543 ( -1.172 2.277 -4.360) 5.056 13.576 ( 0.463 0.332 -2.392) 2.459 13.620 ( -3.091 0.797 -0.095) 3.194 13.675 ( -1.175 0.072 -0.247) 1.202 13.745 ( -3.870 -3.653 -0.013) 5.322 14.000 ( -0.413 -2.290 7.514) 7.866 14.026 ( -0.541 -4.370 9.325) 10.312 14.792 ( -0.087 1.103 -0.259) 1.136 14.847 ( -0.898 -1.426 -0.738) 1.840 15.372 ( -6.503 5.539 -2.702) 8.959 15.439 ( -7.972 2.968 -4.825) 9.780 15.725 ( 0.072 1.678 2.053) 2.652 15.800 ( -1.567 -1.873 1.709) 2.981 15.938 ( -0.395 0.959 -0.850) 1.341 15.951 ( 0.757 -0.339 -2.482) 2.617 16.031 ( 1.985 0.250 -2.291) 3.042 16.069 ( 0.146 -0.776 -0.700) 1.055 16.180 ( 1.902 2.349 0.422) 3.052 16.259 ( 0.951 -1.513 -0.277) 1.808 18.591 ( 8.025 4.637 0.638) 9.290 18.793 ( 14.547 -4.529 -5.160) 16.086 18.982 ( 6.522 3.124 -4.378) 8.453 19.324 ( 3.245 -10.380 -9.722) 14.588 20.137 ( 0.914 2.468 1.420) 2.990 20.187 ( -0.334 2.064 7.462) 7.749 20.268 ( -0.925 -2.602 -3.833) 4.724 20.350 ( -0.162 -4.244 -1.125) 4.393 20.713 ( 7.396 1.063 7.826) 10.820 20.760 ( 7.542 -2.134 11.810) 14.175 21.846 ( -9.975 8.644 4.780) 14.038 22.215 ( -17.073 -9.110 2.375) 19.496 24.158 ( 1.141 3.533 0.157) 3.716 24.237 ( -0.184 6.854 0.397) 6.868 24.313 ( 1.428 -4.354 -0.964) 4.683 24.448 ( -0.691 -3.487 -1.646) 3.917 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 9.416 12.686 -0.823) 15.820 1.596 ( -0.981 -2.991 -1.118) 3.340 1.708 ( 2.114 3.618 2.098) 4.686 1.829 ( -4.304 -3.362 7.457) 9.243 2.002 ( 3.996 2.367 15.495) 16.176 2.115 ( 4.726 1.139 6.545) 8.153 2.198 ( 1.142 1.826 3.783) 4.353 2.438 ( -7.277 0.293 3.469) 8.066 2.484 ( 3.490 1.534 5.731) 6.883 2.620 ( 3.058 2.697 5.697) 7.006 2.637 ( -3.854 4.405 2.442) 6.342 2.778 ( 2.365 -0.028 10.472) 10.736 2.887 ( -2.876 8.641 3.816) 9.875 2.954 ( -1.947 2.082 0.051) 2.851 3.081 ( 4.565 1.935 4.472) 6.677 3.127 ( -4.683 1.475 -0.193) 4.914 3.281 ( -0.578 3.627 2.989) 4.735 3.390 ( 4.032 0.719 -2.370) 4.732 3.437 ( -3.040 1.068 -5.993) 6.804 3.490 ( -0.645 5.203 -1.083) 5.353 3.613 ( -1.390 -1.638 1.424) 2.578 3.669 ( -1.718 -1.456 3.714) 4.344 3.712 ( 0.713 -0.335 2.965) 3.068 3.782 ( -1.997 -0.121 1.421) 2.454 3.851 ( 1.850 -2.000 4.615) 5.359 3.907 ( -0.419 -5.242 8.549) 10.036 4.099 ( 3.789 -6.251 10.840) 13.074 4.105 ( 2.380 -3.864 11.282) 12.161 4.383 ( 3.616 4.547 0.410) 5.824 4.578 ( -0.444 -2.106 -0.802) 2.297 4.855 ( 2.114 1.268 5.279) 5.827 4.876 ( 1.437 -0.021 6.383) 6.543 5.338 ( -0.353 5.848 -5.834) 8.268 5.446 ( -4.304 -1.586 -5.985) 7.541 5.526 ( -1.687 8.073 4.108) 9.214 5.568 ( -1.279 6.093 2.217) 6.609 5.741 ( -3.756 4.599 1.156) 6.049 5.802 ( -5.596 -0.980 -2.585) 6.242 6.157 ( 8.093 -6.575 5.684) 11.876 6.413 ( -4.636 -14.783 3.199) 15.820 6.855 ( 4.151 0.910 0.435) 4.272 6.912 ( 3.184 -1.964 1.769) 4.138 7.251 ( -2.224 7.412 -1.754) 7.935 7.491 ( -9.905 0.485 -5.308) 11.248 7.590 ( -1.054 0.031 -5.483) 5.584 7.608 ( -0.016 -0.205 -2.330) 2.339 7.844 ( -2.490 -3.072 1.098) 4.104 7.868 ( -3.231 -3.738 1.704) 5.226 8.303 ( 4.506 0.116 -1.752) 4.836 8.386 ( 1.857 -2.855 -2.845) 4.438 8.541 ( 1.882 0.584 1.271) 2.345 8.565 ( 2.112 -1.438 2.899) 3.864 8.913 ( -2.983 4.015 0.615) 5.040 8.959 ( -5.365 1.198 1.465) 5.689 9.269 ( 2.035 1.674 -0.262) 2.648 9.488 ( -5.278 -4.913 -3.845) 8.172 9.710 ( -1.262 -0.959 -4.442) 4.716 9.782 ( -3.226 0.094 -8.358) 8.959 9.853 ( 0.237 3.055 -3.258) 4.472 9.974 ( -4.827 0.782 2.927) 5.699 10.096 ( 3.232 -5.521 -1.776) 6.639 10.139 ( 1.814 -5.834 -6.824) 9.160 10.361 ( 5.034 3.074 4.862) 7.644 10.474 ( 1.111 0.525 6.005) 6.129 10.627 ( 1.173 -0.033 -10.423) 10.489 10.654 ( -0.880 -0.358 -7.019) 7.083 10.816 ( 2.266 2.723 -3.182) 4.762 10.964 ( -0.268 -3.683 -5.609) 6.715 11.272 ( 5.496 3.227 2.694) 6.920 11.395 ( 9.876 3.324 0.459) 10.430 11.463 ( -2.590 -5.855 -0.606) 6.431 11.559 ( 6.786 1.341 0.079) 6.918 11.578 ( -0.675 -1.854 5.579) 5.918 11.786 ( -3.807 -4.909 5.329) 8.185 12.106 ( 4.317 2.195 0.555) 4.875 12.200 ( 3.034 -3.037 0.558) 4.329 12.524 ( -1.439 5.896 0.288) 6.076 12.569 ( 0.059 0.791 -2.232) 2.369 12.595 ( -0.376 -0.574 -1.124) 1.317 12.717 ( -6.251 -2.241 1.777) 6.874 13.144 ( 5.388 3.833 -4.086) 7.773 13.267 ( 0.077 -0.038 -4.961) 4.962 13.341 ( 2.311 4.599 -0.504) 5.172 13.419 ( -0.521 0.978 -0.390) 1.175 13.461 ( -1.578 2.341 -1.537) 3.214 13.519 ( -1.043 1.071 -5.029) 5.246 13.558 ( -3.104 -1.140 -2.087) 3.910 13.588 ( 0.594 -0.655 -3.792) 3.894 13.624 ( -4.199 -1.889 0.246) 4.611 13.661 ( -3.579 -3.549 -2.194) 5.497 13.993 ( -0.208 -0.096 10.048) 10.051 14.010 ( -0.927 -1.374 10.979) 11.103 14.794 ( 0.403 0.645 -0.221) 0.792 14.826 ( -1.099 -0.798 -0.474) 1.439 15.260 ( -3.714 5.261 -1.429) 6.597 15.308 ( -5.422 2.364 -2.043) 6.258 15.734 ( 0.840 0.991 1.515) 1.995 15.777 ( -1.119 -1.092 1.193) 1.966 15.939 ( 0.602 0.561 -1.875) 2.048 15.961 ( 0.102 -0.610 -4.020) 4.067 16.057 ( 0.691 0.243 -1.356) 1.541 16.071 ( 0.002 -0.564 0.183) 0.593 16.219 ( 1.909 1.563 0.782) 2.588 16.265 ( -0.267 -0.725 0.449) 0.894 18.764 ( 8.800 6.920 -1.886) 11.352 18.930 ( 1.515 6.751 -4.644) 8.333 19.174 ( 10.075 -12.306 -8.370) 17.972 19.381 ( 0.925 -13.154 -10.239) 16.695 20.156 ( 0.893 2.412 2.805) 3.806 20.179 ( -0.482 2.291 5.882) 6.331 20.269 ( 1.174 -1.106 -5.298) 5.538 20.335 ( -1.303 -2.960 -3.803) 4.993 20.927 ( 14.322 0.917 7.631) 16.254 20.991 ( 16.466 -3.099 13.506) 21.521 21.583 ( -16.463 5.919 5.829) 18.440 21.814 ( -22.949 -4.643 6.813) 24.386 24.186 ( 1.585 3.945 0.093) 4.252 24.231 ( -0.529 5.866 0.167) 5.893 24.348 ( 2.101 -4.343 -1.119) 4.953 24.426 ( -1.544 -3.752 -1.480) 4.319 ======================= Grid point 66 (28/64) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -13.186 2.434 -9.448) 16.403 1.453 ( 13.186 2.434 -9.448) 16.403 1.738 ( -4.130 -4.317 4.362) 7.397 1.738 ( 4.130 -4.317 4.362) 7.397 2.111 ( -3.609 4.140 9.720) 11.164 2.111 ( 3.609 4.140 9.720) 11.164 2.316 ( -9.518 -1.987 8.236) 12.742 2.316 ( 9.518 -1.987 8.236) 12.742 2.503 ( -2.618 6.547 5.089) 8.696 2.503 ( 2.618 6.547 5.089) 8.696 2.741 ( -1.588 8.257 3.591) 9.143 2.741 ( 1.588 8.257 3.591) 9.143 2.930 ( -2.639 -1.672 0.045) 3.125 2.930 ( 2.639 -1.672 0.045) 3.125 3.054 ( -4.248 -2.262 7.118) 8.592 3.054 ( 4.248 -2.262 7.118) 8.592 3.360 ( -3.728 3.053 -5.259) 7.132 3.360 ( 3.728 3.053 -5.259) 7.132 3.505 ( -3.251 2.881 -0.380) 4.361 3.505 ( 3.251 2.881 -0.380) 4.361 3.629 ( -4.202 -0.771 1.626) 4.571 3.629 ( 4.202 -0.771 1.626) 4.571 3.708 ( -2.260 3.289 3.610) 5.381 3.708 ( 2.260 3.289 3.610) 5.381 3.891 ( -1.350 -3.222 8.655) 9.333 3.891 ( 1.350 -3.222 8.655) 9.333 4.125 ( -0.486 -2.392 10.636) 10.913 4.125 ( 0.486 -2.392 10.636) 10.913 4.504 ( -6.666 -2.771 0.078) 7.219 4.504 ( 6.666 -2.771 0.078) 7.219 4.884 ( -0.617 0.783 5.976) 6.058 4.884 ( 0.617 0.783 5.976) 6.058 5.364 ( -3.175 2.400 -5.326) 6.649 5.364 ( 3.175 2.400 -5.326) 6.649 5.538 ( -1.726 7.710 3.401) 8.602 5.538 ( 1.726 7.710 3.401) 8.602 5.716 ( -1.919 1.313 0.434) 2.365 5.716 ( 1.919 1.313 0.434) 2.365 6.303 ( -6.762 -10.711 4.663) 13.498 6.303 ( 6.762 -10.711 4.663) 13.498 6.919 ( -2.129 -0.309 1.031) 2.386 6.919 ( 2.129 -0.309 1.031) 2.386 7.300 ( -7.355 6.043 -4.060) 10.349 7.300 ( 7.355 6.043 -4.060) 10.349 7.604 ( -0.800 -2.814 -6.620) 7.237 7.604 ( 0.800 -2.814 -6.620) 7.237 7.826 ( -0.808 -2.676 3.587) 4.547 7.826 ( 0.808 -2.676 3.587) 4.547 8.374 ( -2.588 -0.111 -2.408) 3.537 8.374 ( 2.588 -0.111 -2.408) 3.537 8.579 ( -1.159 -1.299 2.541) 3.080 8.579 ( 1.159 -1.299 2.541) 3.080 8.891 ( -1.419 2.767 0.195) 3.116 8.891 ( 1.419 2.767 0.195) 3.116 9.359 ( -6.782 -5.171 -1.011) 8.588 9.359 ( 6.782 -5.171 -1.011) 8.588 9.727 ( -2.560 1.718 -7.078) 7.720 9.727 ( 2.560 1.718 -7.078) 7.720 9.889 ( -3.446 2.281 0.261) 4.141 9.889 ( 3.446 2.281 0.261) 4.141 10.143 ( -1.340 -7.223 -5.073) 8.927 10.143 ( 1.340 -7.223 -5.073) 8.927 10.448 ( -3.542 3.838 5.011) 7.238 10.448 ( 3.542 3.838 5.011) 7.238 10.641 ( -0.491 0.024 -7.794) 7.809 10.641 ( 0.491 0.024 -7.794) 7.809 10.907 ( -5.367 -1.853 -4.317) 7.133 10.907 ( 5.367 -1.853 -4.317) 7.133 11.365 ( -5.148 -0.623 3.647) 6.340 11.365 ( 5.148 -0.623 3.647) 6.340 11.544 ( -4.549 0.369 1.483) 4.799 11.544 ( 4.549 0.369 1.483) 4.799 11.686 ( -6.193 -0.384 2.395) 6.651 11.686 ( 6.193 -0.384 2.395) 6.651 12.200 ( -3.664 0.551 -1.487) 3.993 12.200 ( 3.664 0.551 -1.487) 3.993 12.545 ( -3.015 2.234 -0.642) 3.807 12.545 ( 3.015 2.234 -0.642) 3.807 12.611 ( -2.992 -1.073 0.691) 3.253 12.611 ( 2.992 -1.073 0.691) 3.253 13.231 ( -3.440 2.694 -6.111) 7.513 13.231 ( 3.440 2.694 -6.111) 7.513 13.398 ( -3.035 4.740 1.283) 5.773 13.398 ( 3.035 4.740 1.283) 5.773 13.483 ( -3.705 -2.786 -1.674) 4.929 13.483 ( 3.705 -2.786 -1.674) 4.929 13.536 ( -2.234 -1.672 -4.370) 5.185 13.536 ( 2.234 -1.672 -4.370) 5.185 13.615 ( -1.625 -2.013 -2.437) 3.554 13.615 ( 1.625 -2.013 -2.437) 3.554 13.995 ( -0.477 0.316 11.462) 11.476 13.995 ( 0.477 0.316 11.462) 11.476 14.807 ( -0.873 -0.041 -0.274) 0.916 14.807 ( 0.873 -0.041 -0.274) 0.916 15.240 ( -1.427 3.218 -1.387) 3.783 15.240 ( 1.427 3.218 -1.387) 3.783 15.754 ( -1.177 0.029 1.252) 1.719 15.754 ( 1.177 0.029 1.252) 1.719 15.954 ( -0.739 0.055 -3.519) 3.597 15.954 ( 0.739 0.055 -3.519) 3.597 16.066 ( -0.430 -0.273 0.008) 0.509 16.066 ( 0.430 -0.273 0.008) 0.509 16.250 ( -1.269 0.339 0.690) 1.484 16.250 ( 1.269 0.339 0.690) 1.484 18.898 ( -4.592 7.800 -3.608) 9.743 18.898 ( 4.592 7.800 -3.608) 9.743 19.329 ( -5.893 -13.488 -9.273) 17.396 19.329 ( 5.893 -13.488 -9.273) 17.396 20.169 ( -0.512 2.349 4.525) 5.124 20.169 ( 0.512 2.349 4.525) 5.124 20.303 ( -1.908 -1.674 -5.612) 6.159 20.303 ( 1.908 -1.674 -5.612) 6.159 21.243 ( -17.597 2.488 8.992) 19.918 21.243 ( 17.597 2.488 8.992) 19.918 21.373 ( -21.900 -3.024 8.781) 23.788 21.373 ( 21.900 -3.024 8.781) 23.788 24.214 ( -1.226 4.753 0.072) 4.909 24.214 ( 1.226 4.753 0.072) 4.909 24.390 ( -2.126 -4.041 -1.295) 4.746 24.390 ( 2.126 -4.041 -1.295) 4.746 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 0.000 -7.559 22.712) 23.937 1.540 ( 0.000 7.559 22.712) 23.937 1.708 ( 0.000 -18.173 8.660) 20.131 1.708 ( 0.000 18.173 8.660) 20.131 2.028 ( 0.000 -3.708 3.020) 4.782 2.028 ( 0.000 3.708 3.020) 4.782 2.303 ( 0.000 -6.898 8.078) 10.622 2.303 ( 0.000 6.898 8.078) 10.622 2.371 ( 0.000 -1.677 5.897) 6.131 2.371 ( 0.000 1.677 5.897) 6.131 2.902 ( 0.000 -24.238 5.244) 24.799 2.902 ( 0.000 24.238 5.244) 24.799 3.107 ( 0.000 -9.269 -3.929) 10.068 3.107 ( 0.000 9.269 -3.929) 10.068 3.147 ( 0.000 -11.066 -2.642) 11.377 3.147 ( 0.000 11.066 -2.642) 11.377 3.309 ( 0.000 -4.484 -1.227) 4.649 3.309 ( 0.000 4.484 -1.227) 4.649 3.485 ( 0.000 -12.141 7.854) 14.460 3.485 ( 0.000 12.141 7.854) 14.460 3.577 ( 0.000 -1.400 -2.552) 2.911 3.577 ( 0.000 1.400 -2.552) 2.911 3.692 ( 0.000 -0.562 5.273) 5.303 3.692 ( 0.000 0.562 5.273) 5.303 3.855 ( 0.000 -4.495 6.772) 8.128 3.855 ( 0.000 4.495 6.772) 8.128 4.107 ( 0.000 -7.696 2.608) 8.126 4.107 ( 0.000 7.696 2.608) 8.126 4.456 ( 0.000 -1.203 0.341) 1.250 4.456 ( 0.000 1.203 0.341) 1.250 4.818 ( 0.000 -0.446 4.933) 4.954 4.818 ( 0.000 0.446 4.933) 4.954 5.451 ( 0.000 -0.406 -7.098) 7.110 5.451 ( 0.000 0.406 -7.098) 7.110 5.656 ( 0.000 -8.619 2.311) 8.923 5.656 ( 0.000 8.619 2.311) 8.923 5.886 ( 0.000 -4.738 -5.865) 7.539 5.886 ( 0.000 4.738 -5.865) 7.539 6.158 ( 0.000 -17.241 6.869) 18.559 6.158 ( 0.000 17.241 6.869) 18.559 6.748 ( 0.000 -1.671 2.293) 2.837 6.748 ( 0.000 1.671 2.293) 2.837 7.469 ( 0.000 -4.288 0.454) 4.312 7.469 ( 0.000 4.288 0.454) 4.312 7.733 ( 0.000 -6.506 0.375) 6.517 7.733 ( 0.000 6.506 0.375) 6.517 7.986 ( 0.000 -5.958 -3.475) 6.898 7.986 ( 0.000 5.958 -3.475) 6.898 8.145 ( 0.000 -0.882 -1.837) 2.038 8.145 ( 0.000 0.882 -1.837) 2.038 8.526 ( 0.000 -0.275 1.940) 1.959 8.526 ( 0.000 0.275 1.940) 1.959 9.070 ( 0.000 -4.748 1.249) 4.910 9.070 ( 0.000 4.748 1.249) 4.910 9.500 ( 0.000 -11.221 -4.595) 12.125 9.500 ( 0.000 11.221 -4.595) 12.125 9.826 ( 0.000 -10.236 -5.683) 11.707 9.826 ( 0.000 10.236 -5.683) 11.707 9.919 ( 0.000 -5.563 -3.065) 6.352 9.919 ( 0.000 5.563 -3.065) 6.352 10.047 ( 0.000 -6.330 0.694) 6.368 10.047 ( 0.000 6.330 0.694) 6.368 10.331 ( 0.000 -6.575 4.468) 7.949 10.331 ( 0.000 6.575 4.468) 7.949 10.622 ( 0.000 -0.611 -12.848) 12.863 10.622 ( 0.000 0.611 -12.848) 12.863 10.949 ( 0.000 -2.237 0.089) 2.239 10.949 ( 0.000 2.237 0.089) 2.239 11.103 ( 0.000 -0.554 -3.776) 3.816 11.103 ( 0.000 0.554 -3.776) 3.816 11.253 ( 0.000 -3.828 -1.537) 4.125 11.253 ( 0.000 3.828 -1.537) 4.125 11.714 ( 0.000 -5.661 8.047) 9.839 11.714 ( 0.000 5.661 8.047) 9.839 12.079 ( 0.000 -0.509 6.670) 6.690 12.079 ( 0.000 0.509 6.670) 6.690 12.581 ( 0.000 -0.457 -2.332) 2.376 12.581 ( 0.000 0.457 -2.332) 2.376 12.730 ( 0.000 -6.691 0.372) 6.701 12.730 ( 0.000 6.691 0.372) 6.701 13.123 ( 0.000 -5.389 -0.064) 5.389 13.123 ( 0.000 5.389 -0.064) 5.389 13.439 ( 0.000 -3.852 -6.955) 7.950 13.439 ( 0.000 3.852 -6.955) 7.950 13.571 ( 0.000 -0.470 -1.026) 1.129 13.571 ( 0.000 0.470 -1.026) 1.129 13.636 ( 0.000 -5.407 -4.828) 7.248 13.636 ( 0.000 5.407 -4.828) 7.248 13.721 ( 0.000 -3.244 3.092) 4.481 13.721 ( 0.000 3.244 3.092) 4.481 13.961 ( 0.000 -0.188 8.283) 8.285 13.961 ( 0.000 0.188 8.283) 8.285 14.823 ( 0.000 -1.798 -1.035) 2.075 14.823 ( 0.000 1.798 -1.035) 2.075 15.520 ( 0.000 -3.354 -5.415) 6.369 15.520 ( 0.000 3.354 -5.415) 6.369 15.775 ( 0.000 -3.024 2.590) 3.982 15.775 ( 0.000 3.024 2.590) 3.982 15.960 ( 0.000 -2.143 -1.675) 2.720 15.960 ( 0.000 2.143 -1.675) 2.720 16.023 ( 0.000 -3.054 -0.127) 3.057 16.023 ( 0.000 3.054 -0.127) 3.057 16.204 ( 0.000 -2.317 -0.589) 2.391 16.204 ( 0.000 2.317 -0.589) 2.391 18.554 ( 0.000 -2.049 1.399) 2.481 18.554 ( 0.000 2.049 1.399) 2.481 19.103 ( 0.000 -10.163 -6.197) 11.904 19.103 ( 0.000 10.163 -6.197) 11.904 20.177 ( 0.000 -2.857 5.948) 6.599 20.177 ( 0.000 2.857 5.948) 6.599 20.276 ( 0.000 -2.927 -3.197) 4.335 20.276 ( 0.000 2.927 -3.197) 4.335 20.667 ( 0.000 -0.987 8.935) 8.990 20.667 ( 0.000 0.987 8.935) 8.990 22.155 ( 0.000 -12.383 1.648) 12.492 22.155 ( 0.000 12.383 1.648) 12.492 24.218 ( 0.000 -4.169 -0.453) 4.193 24.218 ( 0.000 4.169 -0.453) 4.193 24.367 ( 0.000 -5.961 -1.001) 6.045 24.367 ( 0.000 5.961 -1.001) 6.045 ======================= Grid point 72 (30/64) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -3.999 -12.386 10.799) 16.913 1.477 ( -3.999 12.386 10.799) 16.913 1.786 ( 5.041 -11.870 13.882) 18.947 1.786 ( 5.041 11.870 13.882) 18.947 1.986 ( -2.270 -2.838 5.057) 6.228 1.986 ( -2.270 2.838 5.057) 6.228 2.309 ( 1.805 -8.890 2.619) 9.442 2.309 ( 1.805 8.890 2.619) 9.442 2.481 ( 8.454 -6.446 9.072) 13.976 2.481 ( 8.454 6.446 9.072) 13.976 2.816 ( -10.592 -8.580 0.333) 13.636 2.816 ( -10.592 8.580 0.333) 13.636 3.094 ( 1.247 -7.587 1.420) 7.818 3.094 ( 1.247 7.587 1.420) 7.818 3.148 ( 2.165 -14.096 -2.938) 14.561 3.148 ( 2.165 14.096 -2.938) 14.561 3.341 ( -1.359 -1.944 6.649) 7.059 3.341 ( -1.359 1.944 6.649) 7.059 3.434 ( -1.096 -7.976 -0.524) 8.068 3.434 ( -1.096 7.976 -0.524) 8.068 3.630 ( 2.290 -0.876 -1.997) 3.162 3.630 ( 2.290 0.876 -1.997) 3.162 3.741 ( 3.056 -2.839 -0.854) 4.258 3.741 ( 3.056 2.839 -0.854) 4.258 3.818 ( -2.143 -3.962 8.098) 9.267 3.818 ( -2.143 3.962 8.098) 9.267 4.038 ( -3.844 -5.115 10.702) 12.469 4.038 ( -3.844 5.115 10.702) 12.469 4.485 ( 1.904 -4.882 -0.415) 5.256 4.485 ( 1.904 4.882 -0.415) 5.256 4.836 ( 1.678 -0.567 5.327) 5.614 4.836 ( 1.678 0.567 5.327) 5.614 5.446 ( -1.068 -2.552 -7.917) 8.386 5.446 ( -1.068 2.552 -7.917) 8.386 5.654 ( -0.375 -4.674 2.617) 5.370 5.654 ( -0.375 4.674 2.617) 5.370 5.858 ( -2.790 -2.817 -4.485) 5.986 5.858 ( -2.790 2.817 -4.485) 5.986 6.155 ( -0.020 -15.817 7.124) 17.348 6.155 ( -0.020 15.817 7.124) 17.348 6.794 ( 4.236 -1.581 1.765) 4.854 6.794 ( 4.236 1.581 1.765) 4.854 7.445 ( -2.309 -5.865 -0.170) 6.305 7.445 ( -2.309 5.865 -0.170) 6.305 7.715 ( -2.897 -4.579 -1.981) 5.769 7.715 ( -2.897 4.579 -1.981) 5.769 7.882 ( -6.196 -2.472 -1.140) 6.768 7.882 ( -6.196 2.472 -1.140) 6.768 8.229 ( 5.719 -2.842 -2.211) 6.758 8.229 ( 5.719 2.842 -2.211) 6.758 8.532 ( 0.638 -0.336 2.274) 2.385 8.532 ( 0.638 0.336 2.274) 2.385 9.037 ( -3.220 -3.117 1.294) 4.665 9.037 ( -3.220 3.117 1.294) 4.665 9.451 ( -4.714 -10.295 -3.199) 11.766 9.451 ( -4.714 10.295 -3.199) 11.766 9.786 ( -2.576 -6.881 -7.339) 10.385 9.786 ( -2.576 6.881 -7.339) 10.385 9.938 ( 1.136 -5.019 -2.070) 5.547 9.938 ( 1.136 5.019 -2.070) 5.547 10.047 ( -0.219 -2.318 -1.494) 2.766 10.047 ( -0.219 2.318 -1.494) 2.766 10.354 ( 2.814 -5.556 5.937) 8.605 10.354 ( 2.814 5.556 5.937) 8.605 10.635 ( 0.849 -1.369 -11.711) 11.821 10.635 ( 0.849 1.369 -11.711) 11.821 10.906 ( -1.891 -3.299 -1.961) 4.278 10.906 ( -1.891 3.299 -1.961) 4.278 11.236 ( 9.222 -4.094 -1.756) 10.241 11.236 ( 9.222 4.094 -1.756) 10.241 11.323 ( 6.706 -5.431 -2.329) 8.938 11.323 ( 6.706 5.431 -2.329) 8.938 11.696 ( -1.638 -6.624 9.125) 11.394 11.696 ( -1.638 6.624 9.125) 11.394 12.092 ( 1.604 -1.694 4.446) 5.021 12.092 ( 1.604 1.694 4.446) 5.021 12.578 ( -0.206 -0.840 -2.159) 2.326 12.578 ( -0.206 0.840 -2.159) 2.326 12.709 ( -2.276 -6.523 0.737) 6.948 12.709 ( -2.276 6.523 0.737) 6.948 13.150 ( 2.763 -5.129 -0.896) 5.894 13.150 ( 2.763 5.129 -0.896) 5.894 13.428 ( -0.962 -3.556 -6.422) 7.403 13.428 ( -0.962 3.556 -6.422) 7.403 13.557 ( -1.560 -0.967 -1.679) 2.487 13.557 ( -1.560 0.967 -1.679) 2.487 13.618 ( -1.526 -4.150 -4.585) 6.370 13.618 ( -1.526 4.150 -4.585) 6.370 13.676 ( -4.116 -2.265 2.144) 5.164 13.676 ( -4.116 2.265 2.144) 5.164 13.977 ( 1.143 -0.445 9.616) 9.694 13.977 ( 1.143 0.445 9.616) 9.694 14.818 ( -0.437 -1.577 -0.961) 1.898 14.818 ( -0.437 1.577 -0.961) 1.898 15.444 ( -6.656 -2.108 -3.589) 7.851 15.444 ( -6.656 2.108 -3.589) 7.851 15.762 ( -0.725 -2.150 2.005) 3.028 15.762 ( -0.725 2.150 2.005) 3.028 15.947 ( -0.382 -0.293 -1.906) 1.966 15.947 ( -0.382 0.293 -1.906) 1.966 16.047 ( 1.338 -1.340 -0.935) 2.112 16.047 ( 1.338 1.340 -0.935) 2.112 16.224 ( 1.478 -2.195 0.168) 2.651 16.224 ( 1.478 2.195 0.168) 2.651 18.686 ( 11.709 -5.581 -1.306) 13.037 18.686 ( 11.709 5.581 -1.306) 13.037 19.126 ( 1.981 -10.158 -6.122) 12.024 19.126 ( 1.981 10.158 -6.122) 12.024 20.182 ( 0.442 -2.227 6.642) 7.019 20.182 ( 0.442 2.227 6.642) 7.019 20.278 ( 0.163 -3.166 -4.959) 5.886 20.278 ( 0.163 3.166 -4.959) 5.886 20.732 ( 7.029 -1.066 10.026) 12.291 20.732 ( 7.029 1.066 10.026) 12.291 22.027 ( -12.687 -10.381 2.833) 16.636 22.027 ( -12.687 10.381 2.833) 16.636 24.231 ( 1.311 -4.215 -0.566) 4.450 24.231 ( 1.311 4.215 -0.566) 4.450 24.360 ( -0.706 -5.829 -0.958) 5.949 24.360 ( -0.706 5.829 -0.958) 5.949 ======================= Grid point 74 (31/64) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 1.461 -11.442 -1.565) 11.641 1.447 ( 1.461 11.442 -1.565) 11.641 1.770 ( -5.557 -2.913 2.008) 6.588 1.770 ( -5.557 2.913 2.008) 6.588 2.062 ( 8.477 -4.170 16.333) 18.868 2.062 ( 8.477 4.170 16.333) 18.868 2.312 ( -3.246 -9.278 1.281) 9.912 2.312 ( -3.246 9.278 1.281) 9.912 2.583 ( -1.057 -5.912 9.147) 10.943 2.583 ( -1.057 5.912 9.147) 10.943 2.725 ( 6.846 -5.008 2.117) 8.742 2.725 ( 6.846 5.008 2.117) 8.742 3.034 ( -5.998 -5.687 3.544) 8.993 3.034 ( -5.998 5.687 3.544) 8.993 3.101 ( -7.380 -8.158 -0.561) 11.014 3.101 ( -7.380 8.158 -0.561) 11.014 3.397 ( 2.348 -4.906 -4.418) 7.007 3.397 ( 2.348 4.906 -4.418) 7.007 3.476 ( 6.287 -9.888 -0.838) 11.747 3.476 ( 6.287 9.888 -0.838) 11.747 3.588 ( -2.379 -3.981 -0.169) 4.641 3.588 ( -2.379 3.981 -0.169) 4.641 3.782 ( -0.410 -4.115 7.284) 8.376 3.782 ( -0.410 4.115 7.284) 8.376 3.817 ( 1.957 -2.153 3.959) 4.913 3.817 ( 1.957 2.153 3.959) 4.913 4.042 ( 3.484 -1.241 13.532) 14.028 4.042 ( 3.484 1.241 13.532) 14.028 4.498 ( -0.914 -6.031 0.117) 6.101 4.498 ( -0.914 6.031 0.117) 6.101 4.873 ( 1.854 -0.473 6.218) 6.506 4.873 ( 1.854 0.473 6.218) 6.506 5.407 ( -2.455 -2.386 -8.284) 8.964 5.407 ( -2.455 2.386 -8.284) 8.964 5.645 ( -0.056 -1.906 3.222) 3.744 5.645 ( -0.056 1.906 3.222) 3.744 5.784 ( -4.562 -1.674 -1.332) 5.038 5.784 ( -4.562 1.674 -1.332) 5.038 6.164 ( 0.816 -9.156 7.057) 11.589 6.164 ( 0.816 9.156 7.057) 11.589 6.879 ( 3.712 -1.554 1.270) 4.220 6.879 ( 3.712 1.554 1.270) 4.220 7.396 ( -2.201 -7.659 -2.143) 8.252 7.396 ( -2.201 7.659 -2.143) 8.252 7.616 ( -5.565 -1.486 -6.955) 9.031 7.616 ( -5.565 1.486 -6.955) 9.031 7.816 ( -1.453 -0.990 3.338) 3.773 7.816 ( -1.453 0.990 3.338) 3.773 8.329 ( 4.248 -2.577 -2.257) 5.458 8.329 ( 4.248 2.577 -2.257) 5.458 8.551 ( 1.274 -0.425 2.657) 2.977 8.551 ( 1.274 0.425 2.657) 2.977 8.962 ( -3.938 -1.225 1.256) 4.311 8.962 ( -3.938 1.225 1.256) 4.311 9.351 ( -4.656 -6.930 -1.067) 8.417 9.351 ( -4.656 6.930 -1.067) 8.417 9.755 ( -0.697 -2.985 -8.993) 9.501 9.755 ( -0.697 2.985 -8.993) 9.501 9.951 ( 0.344 -7.222 -3.523) 8.043 9.951 ( 0.344 7.222 -3.523) 8.043 10.033 ( -1.105 -5.078 -0.791) 5.257 10.033 ( -1.105 5.078 -0.791) 5.257 10.439 ( 5.043 -3.806 6.413) 9.003 10.439 ( 5.043 3.806 6.413) 9.003 10.643 ( 0.029 -1.023 -9.848) 9.901 10.643 ( 0.029 1.023 -9.848) 9.901 10.889 ( -0.143 -4.357 -4.565) 6.313 10.889 ( -0.143 4.357 -4.565) 6.313 11.349 ( 1.833 -5.367 1.362) 5.833 11.349 ( 1.833 5.367 1.362) 5.833 11.471 ( 7.053 -4.869 -0.304) 8.576 11.471 ( 7.053 4.869 -0.304) 8.576 11.677 ( 0.236 -6.373 7.395) 9.765 11.677 ( 0.236 6.373 7.395) 9.765 12.149 ( 4.139 -2.449 0.005) 4.809 12.149 ( 4.139 2.449 0.005) 4.809 12.576 ( 0.021 -1.041 -1.649) 1.950 12.576 ( 0.021 1.041 -1.649) 1.950 12.644 ( -4.147 -5.196 1.543) 6.825 12.644 ( -4.147 5.196 1.543) 6.825 13.221 ( 4.003 -3.955 -3.617) 6.689 13.221 ( 4.003 3.955 -3.617) 6.689 13.412 ( -0.181 -2.542 -3.932) 4.686 13.412 ( -0.181 2.542 -3.932) 4.686 13.515 ( -2.396 -2.457 -3.200) 4.693 13.515 ( -2.396 2.457 -3.200) 4.693 13.573 ( -4.804 -2.431 -1.994) 5.742 13.573 ( -4.804 2.431 -1.994) 5.742 13.602 ( -1.289 -2.062 -1.114) 2.675 13.602 ( -1.289 2.062 -1.114) 2.675 13.993 ( 0.518 -0.329 11.583) 11.599 13.993 ( 0.518 0.329 11.583) 11.599 14.810 ( -0.307 -0.930 -0.809) 1.270 14.810 ( -0.307 0.930 -0.809) 1.270 15.322 ( -4.991 -1.207 -1.885) 5.470 15.322 ( -4.991 1.207 -1.885) 5.470 15.755 ( -0.082 -1.196 1.391) 1.837 15.755 ( -0.082 1.196 1.391) 1.837 15.949 ( 0.384 -0.574 -3.307) 3.378 15.949 ( 0.384 0.574 -3.307) 3.378 16.062 ( 0.280 -0.385 -0.192) 0.514 16.062 ( 0.280 0.385 -0.192) 0.514 16.246 ( 0.772 -1.298 0.763) 1.692 16.246 ( 0.772 1.298 0.763) 1.692 18.916 ( 10.503 -8.715 -5.026) 14.544 18.916 ( 10.503 8.715 -5.026) 14.543 19.152 ( -0.014 -10.237 -5.829) 11.781 19.152 ( -0.014 10.237 -5.829) 11.781 20.190 ( 0.377 -1.105 8.299) 8.380 20.190 ( 0.377 1.105 8.299) 8.380 20.282 ( 0.160 -2.386 -8.305) 8.642 20.282 ( 0.160 2.386 -8.305) 8.642 20.949 ( 15.345 -1.545 11.204) 19.063 20.949 ( 15.345 1.545 11.204) 19.063 21.704 ( -19.688 -6.612 5.043) 21.372 21.704 ( -19.688 6.612 5.043) 21.372 24.265 ( 2.068 -4.430 -0.742) 4.945 24.265 ( 2.068 4.430 -0.742) 4.945 24.340 ( -1.422 -5.410 -0.914) 5.668 24.340 ( -1.422 5.410 -0.914) 5.668 ======================= Grid point 76 (32/64) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 0.000 -10.678) 10.678 1.491 ( 0.000 0.000 -10.678) 10.678 1.684 ( 0.000 0.000 3.076) 3.076 1.684 ( 0.000 0.000 3.076) 3.076 2.197 ( 0.000 -0.000 2.768) 2.768 2.197 ( -0.000 0.000 2.768) 2.768 2.222 ( 0.000 -0.000 18.603) 18.603 2.222 ( 0.000 0.000 18.603) 18.603 2.582 ( 0.000 0.000 7.529) 7.529 2.582 ( 0.000 0.000 7.529) 7.529 2.892 ( -0.000 -0.000 7.592) 7.592 2.892 ( 0.000 0.000 7.592) 7.592 2.893 ( 0.000 -0.000 0.247) 0.247 2.893 ( 0.000 0.000 0.247) 0.247 3.006 ( -0.000 -0.000 -2.082) 2.082 3.006 ( 0.000 0.000 -2.082) 2.082 3.393 ( -0.000 0.000 -5.771) 5.771 3.393 ( 0.000 0.000 -5.771) 5.771 3.548 ( 0.000 -0.000 -2.232) 2.232 3.548 ( 0.000 0.000 -2.232) 2.232 3.582 ( -0.000 -0.000 -0.765) 0.765 3.582 ( 0.000 -0.000 -0.765) 0.765 3.792 ( 0.000 -0.000 3.649) 3.649 3.792 ( 0.000 0.000 3.649) 3.649 3.834 ( 0.000 0.000 10.058) 10.058 3.834 ( 0.000 0.000 10.058) 10.058 4.091 ( 0.000 0.000 13.924) 13.924 4.091 ( 0.000 0.000 13.924) 13.924 4.475 ( 0.000 0.000 0.307) 0.307 4.475 ( 0.000 0.000 0.307) 0.307 4.893 ( 0.000 0.000 6.712) 6.712 4.893 ( 0.000 0.000 6.712) 6.712 5.379 ( 0.000 0.000 -8.348) 8.348 5.379 ( 0.000 0.000 -8.348) 8.348 5.657 ( 0.000 -0.000 4.873) 4.873 5.657 ( 0.000 0.000 4.873) 4.873 5.720 ( 0.000 0.000 -0.939) 0.939 5.720 ( 0.000 0.000 -0.939) 0.939 6.174 ( 0.000 0.000 6.990) 6.990 6.174 ( 0.000 0.000 6.990) 6.990 6.916 ( 0.000 0.000 1.368) 1.368 6.916 ( 0.000 0.000 1.368) 1.368 7.375 ( 0.000 0.000 -4.107) 4.107 7.375 ( 0.000 0.000 -4.107) 4.107 7.555 ( 0.000 0.000 -7.380) 7.380 7.555 ( 0.000 0.000 -7.380) 7.380 7.803 ( 0.000 0.000 4.159) 4.159 7.803 ( 0.000 0.000 4.159) 4.159 8.374 ( 0.000 0.000 -2.322) 2.322 8.374 ( 0.000 0.000 -2.322) 2.322 8.568 ( -0.000 0.000 2.753) 2.753 8.568 ( 0.000 0.000 2.753) 2.753 8.917 ( 0.000 0.000 1.176) 1.176 8.917 ( 0.000 0.000 1.176) 1.176 9.302 ( 0.000 0.000 -0.157) 0.157 9.302 ( 0.000 0.000 -0.157) 0.157 9.750 ( 0.000 0.000 -9.308) 9.308 9.750 ( 0.000 0.000 -9.308) 9.308 9.955 ( 0.000 -0.000 -6.704) 6.704 9.955 ( 0.000 0.000 -6.704) 6.704 10.019 ( 0.000 -0.000 2.249) 2.249 10.019 ( 0.000 0.000 2.249) 2.249 10.497 ( 0.000 0.000 6.422) 6.422 10.497 ( 0.000 0.000 6.422) 6.422 10.642 ( 0.000 0.000 -9.092) 9.092 10.642 ( 0.000 0.000 -9.092) 9.092 10.890 ( 0.000 0.000 -6.562) 6.562 10.890 ( 0.000 0.000 -6.562) 6.562 11.352 ( 0.000 0.000 5.193) 5.193 11.352 ( 0.000 0.000 5.193) 5.193 11.546 ( 0.000 0.000 1.659) 1.659 11.546 ( 0.000 0.000 1.659) 1.659 11.686 ( -0.000 0.000 3.735) 3.735 11.686 ( 0.000 0.000 3.735) 3.735 12.206 ( 0.000 0.000 -2.599) 2.599 12.206 ( 0.000 0.000 -2.599) 2.599 12.579 ( -0.000 0.000 2.260) 2.260 12.579 ( 0.000 0.000 2.260) 2.260 12.587 ( -0.000 -0.000 -1.083) 1.083 12.587 ( 0.000 0.000 -1.083) 1.083 13.266 ( -0.000 0.000 -6.803) 6.803 13.266 ( 0.000 0.000 -6.803) 6.803 13.445 ( -0.000 -0.000 -2.146) 2.146 13.445 ( 0.000 0.000 -2.146) 2.146 13.460 ( -0.000 0.000 1.429) 1.429 13.460 ( 0.000 0.000 1.429) 1.429 13.510 ( 0.000 0.000 -5.202) 5.202 13.510 ( 0.000 0.000 -5.202) 5.202 13.593 ( 0.000 0.000 -2.096) 2.096 13.593 ( 0.000 0.000 -2.096) 2.096 13.998 ( 0.000 0.000 12.385) 12.385 13.998 ( 0.000 0.000 12.385) 12.385 14.807 ( 0.000 0.000 -0.729) 0.729 14.807 ( 0.000 0.000 -0.729) 0.729 15.272 ( 0.000 0.000 -1.555) 1.555 15.272 ( 0.000 0.000 -1.555) 1.555 15.755 ( 0.000 0.000 1.274) 1.274 15.755 ( 0.000 0.000 1.274) 1.274 15.954 ( 0.000 0.000 -4.216) 4.216 15.954 ( 0.000 0.000 -4.216) 4.216 16.064 ( 0.000 0.000 0.666) 0.666 16.064 ( 0.000 0.000 0.666) 0.666 16.254 ( 0.000 0.000 0.839) 0.839 16.254 ( 0.000 0.000 0.839) 0.839 19.043 ( -0.000 -0.000 -7.220) 7.220 19.043 ( 0.000 0.000 -7.220) 7.220 19.128 ( 0.000 -0.000 -4.632) 4.632 19.128 ( -0.000 0.000 -4.632) 4.632 20.194 ( 0.000 -0.000 9.185) 9.185 20.194 ( -0.000 0.000 9.185) 9.185 20.283 ( 0.000 0.000 -9.779) 9.779 20.283 ( 0.000 0.000 -9.779) 9.779 21.270 ( -0.000 0.000 20.413) 20.413 21.270 ( 0.000 0.000 20.413) 20.413 21.340 ( -0.000 0.000 -3.082) 3.082 21.340 ( 0.000 0.000 -3.082) 3.082 24.305 ( 0.000 -0.000 0.200) 0.200 24.305 ( 0.000 0.000 0.200) 0.200 24.307 ( -0.000 -0.000 -1.917) 1.917 24.307 ( -0.000 0.000 -1.917) 1.917 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 0.000 27.531) 27.531 1.374 ( 0.000 0.000 30.203) 30.203 1.738 ( 0.000 0.000 6.510) 6.510 2.002 ( 0.000 0.000 37.039) 37.039 2.092 ( 0.000 0.000 -0.501) 0.501 2.147 ( 0.000 0.000 7.954) 7.954 2.341 ( 0.000 0.000 13.199) 13.199 2.552 ( 0.000 0.000 17.095) 17.095 2.643 ( 0.000 0.000 -7.745) 7.745 2.767 ( 0.000 0.000 -15.458) 15.458 2.818 ( 0.000 0.000 -0.926) 0.926 2.896 ( 0.000 0.000 8.166) 8.166 2.913 ( 0.000 0.000 -4.859) 4.859 3.196 ( 0.000 0.000 3.246) 3.246 3.252 ( 0.000 0.000 12.372) 12.372 3.290 ( 0.000 0.000 3.119) 3.119 3.361 ( 0.000 0.000 5.965) 5.965 3.418 ( 0.000 0.000 8.485) 8.485 3.435 ( 0.000 0.000 -0.019) 0.019 3.445 ( 0.000 0.000 -0.792) 0.792 3.512 ( 0.000 0.000 -8.868) 8.868 3.517 ( 0.000 0.000 -3.657) 3.657 3.657 ( 0.000 0.000 -0.981) 0.981 4.011 ( 0.000 0.000 -2.815) 2.815 4.102 ( 0.000 0.000 2.136) 2.136 4.144 ( 0.000 0.000 2.051) 2.051 4.145 ( 0.000 0.000 2.988) 2.988 4.192 ( 0.000 0.000 18.229) 18.229 4.301 ( 0.000 0.000 6.286) 6.286 4.546 ( 0.000 0.000 15.654) 15.654 4.832 ( 0.000 0.000 3.295) 3.295 4.981 ( 0.000 0.000 7.841) 7.841 5.194 ( 0.000 0.000 -18.654) 18.654 5.200 ( 0.000 0.000 7.603) 7.603 5.560 ( 0.000 0.000 -11.202) 11.202 5.566 ( 0.000 0.000 0.874) 0.874 5.626 ( 0.000 0.000 -6.971) 6.971 6.033 ( 0.000 0.000 -3.414) 3.414 6.215 ( 0.000 0.000 22.534) 22.534 6.663 ( 0.000 0.000 1.993) 1.993 6.977 ( 0.000 0.000 -1.864) 1.864 6.977 ( 0.000 0.000 13.739) 13.739 7.110 ( 0.000 0.000 -6.711) 6.711 7.489 ( 0.000 0.000 0.455) 0.455 7.536 ( 0.000 0.000 -0.322) 0.322 7.682 ( 0.000 0.000 -1.762) 1.762 7.954 ( 0.000 0.000 -7.064) 7.064 8.019 ( 0.000 0.000 -7.559) 7.559 8.268 ( 0.000 0.000 -1.441) 1.441 8.270 ( 0.000 0.000 -0.750) 0.750 8.456 ( 0.000 0.000 7.760) 7.760 8.649 ( 0.000 0.000 4.569) 4.569 8.909 ( 0.000 0.000 1.699) 1.699 9.027 ( 0.000 0.000 -13.245) 13.245 9.272 ( 0.000 0.000 8.553) 8.553 9.395 ( 0.000 0.000 2.281) 2.281 9.607 ( 0.000 0.000 -4.374) 4.374 9.750 ( 0.000 0.000 -8.269) 8.269 9.970 ( 0.000 0.000 1.496) 1.496 10.032 ( 0.000 0.000 -5.176) 5.176 10.074 ( 0.000 0.000 2.862) 2.862 10.239 ( 0.000 0.000 4.117) 4.117 10.323 ( 0.000 0.000 -7.411) 7.411 10.334 ( 0.000 0.000 -4.247) 4.247 10.447 ( 0.000 0.000 -6.577) 6.577 10.449 ( 0.000 0.000 -9.569) 9.569 10.635 ( 0.000 0.000 0.729) 0.729 10.757 ( 0.000 0.000 -16.099) 16.099 11.093 ( 0.000 0.000 0.444) 0.444 11.095 ( 0.000 0.000 4.183) 4.183 11.429 ( 0.000 0.000 2.574) 2.574 11.560 ( 0.000 0.000 -9.387) 9.387 11.821 ( 0.000 0.000 8.035) 8.035 12.011 ( 0.000 0.000 3.561) 3.561 12.155 ( 0.000 0.000 0.995) 0.995 12.313 ( 0.000 0.000 -7.941) 7.941 12.423 ( 0.000 0.000 -5.517) 5.517 12.428 ( 0.000 0.000 -2.987) 2.987 12.632 ( 0.000 0.000 5.523) 5.523 12.855 ( 0.000 0.000 0.005) 0.005 12.891 ( 0.000 0.000 5.806) 5.806 13.207 ( 0.000 0.000 4.188) 4.188 13.333 ( 0.000 0.000 -5.752) 5.752 13.336 ( 0.000 0.000 0.729) 0.729 13.384 ( 0.000 0.000 2.853) 2.853 13.473 ( 0.000 0.000 -4.051) 4.051 13.494 ( 0.000 0.000 -2.966) 2.966 13.665 ( 0.000 0.000 3.004) 3.004 13.720 ( 0.000 0.000 -5.168) 5.168 13.792 ( 0.000 0.000 -1.880) 1.880 14.251 ( 0.000 0.000 6.139) 6.139 14.432 ( 0.000 0.000 -1.430) 1.430 14.829 ( 0.000 0.000 2.641) 2.641 14.893 ( 0.000 0.000 0.181) 0.181 15.038 ( 0.000 0.000 2.190) 2.190 15.242 ( 0.000 0.000 -4.665) 4.665 15.757 ( 0.000 0.000 3.958) 3.958 15.863 ( 0.000 0.000 -0.478) 0.478 15.913 ( 0.000 0.000 -0.033) 0.033 15.933 ( 0.000 0.000 -3.026) 3.026 15.943 ( 0.000 0.000 2.623) 2.623 16.070 ( 0.000 0.000 -0.836) 0.836 16.089 ( 0.000 0.000 -0.480) 0.480 16.218 ( 0.000 0.000 -3.396) 3.396 18.529 ( 0.000 0.000 6.232) 6.232 18.585 ( 0.000 0.000 0.368) 0.368 18.683 ( 0.000 0.000 -2.516) 2.516 19.198 ( 0.000 0.000 -14.822) 14.822 20.079 ( 0.000 0.000 0.493) 0.493 20.170 ( 0.000 0.000 -0.493) 0.493 20.466 ( 0.000 0.000 -1.614) 1.614 20.534 ( 0.000 0.000 -1.085) 1.085 20.665 ( 0.000 0.000 10.882) 10.882 20.932 ( 0.000 0.000 5.529) 5.529 21.965 ( 0.000 0.000 12.750) 12.750 22.637 ( 0.000 0.000 -6.886) 6.886 24.137 ( 0.000 0.000 5.432) 5.432 24.153 ( 0.000 0.000 3.672) 3.672 24.368 ( 0.000 0.000 -2.241) 2.241 24.437 ( 0.000 0.000 -3.554) 3.554 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -10.234 0.000 29.103) 30.850 1.223 ( 10.289 0.000 23.514) 25.666 1.759 ( 1.740 0.000 5.097) 5.386 2.104 ( 0.838 0.000 0.110) 0.845 2.129 ( -0.896 0.000 9.389) 9.432 2.173 ( 5.818 0.000 18.770) 19.651 2.354 ( -15.126 0.000 -0.568) 15.137 2.468 ( 13.673 0.000 20.261) 24.443 2.662 ( -3.901 0.000 7.264) 8.245 2.725 ( -7.129 0.000 -1.168) 7.224 2.756 ( -0.173 0.000 -8.127) 8.129 2.825 ( -3.551 0.000 -1.353) 3.800 2.875 ( -6.295 0.000 -4.016) 7.467 3.081 ( -5.217 0.000 4.298) 6.759 3.101 ( -6.841 0.000 8.865) 11.197 3.234 ( -6.050 0.000 7.090) 9.320 3.279 ( -5.185 0.000 -3.355) 6.176 3.385 ( 2.837 0.000 8.213) 8.689 3.477 ( 1.320 0.000 5.817) 5.965 3.598 ( 7.117 0.000 3.225) 7.813 3.602 ( 6.735 0.000 4.269) 7.973 3.701 ( 11.213 0.000 -2.534) 11.496 3.717 ( 4.795 0.000 -1.603) 5.055 3.911 ( -4.820 0.000 -6.755) 8.299 3.979 ( -11.134 0.000 12.381) 16.651 4.028 ( -7.477 0.000 8.005) 10.954 4.235 ( 5.630 0.000 -1.542) 5.838 4.236 ( 7.154 0.000 -0.232) 7.158 4.476 ( 8.274 0.000 11.088) 13.835 4.557 ( 1.235 0.000 14.880) 14.931 4.856 ( 2.454 0.000 3.786) 4.512 5.002 ( 1.368 0.000 5.906) 6.063 5.123 ( -1.514 0.000 -4.441) 4.692 5.307 ( 5.194 0.000 -0.713) 5.242 5.511 ( -4.846 0.000 -10.215) 11.306 5.570 ( 0.991 0.000 1.762) 2.021 5.634 ( -0.249 0.000 -6.858) 6.862 5.922 ( -6.985 0.000 7.828) 10.492 6.329 ( 7.672 0.000 12.516) 14.680 6.703 ( 3.444 0.000 -0.722) 3.519 6.935 ( -4.322 0.000 -1.126) 4.467 6.983 ( 1.011 0.000 11.176) 11.222 7.102 ( -0.924 0.000 -4.936) 5.022 7.387 ( -8.541 0.000 -1.515) 8.674 7.560 ( 1.753 0.000 -1.066) 2.052 7.669 ( -3.849 0.000 -0.841) 3.940 7.903 ( -2.434 0.000 -6.083) 6.551 7.951 ( -5.166 0.000 -7.530) 9.132 8.298 ( 2.153 0.000 -2.768) 3.507 8.302 ( 2.172 0.000 -0.744) 2.296 8.484 ( 2.950 0.000 6.595) 7.224 8.664 ( 1.278 0.000 3.475) 3.703 8.852 ( -5.248 0.000 -2.198) 5.689 9.040 ( 0.994 0.000 -6.710) 6.783 9.269 ( -8.848 0.000 0.605) 8.869 9.305 ( 3.492 0.000 7.300) 8.092 9.662 ( 3.573 0.000 -5.017) 6.159 9.728 ( -1.824 0.000 -8.216) 8.416 9.982 ( -2.500 0.000 0.144) 2.504 10.055 ( 5.053 0.000 -0.995) 5.150 10.106 ( -3.379 0.000 -2.861) 4.428 10.200 ( -3.271 0.000 -0.675) 3.340 10.269 ( 3.376 0.000 -4.666) 5.759 10.304 ( -0.226 0.000 2.597) 2.607 10.496 ( 2.717 0.000 -8.687) 9.102 10.552 ( 4.086 0.000 -9.005) 9.889 10.679 ( 5.253 0.000 1.459) 5.452 10.804 ( 4.191 0.000 -13.662) 14.290 11.144 ( 5.126 0.000 1.449) 5.327 11.153 ( 5.550 0.000 1.021) 5.643 11.443 ( 1.546 0.000 2.475) 2.918 11.574 ( 0.641 0.000 -8.066) 8.091 11.825 ( -0.782 0.000 5.842) 5.895 12.014 ( 1.304 0.000 2.745) 3.039 12.046 ( -9.589 0.000 2.847) 10.003 12.335 ( 1.995 0.000 -6.454) 6.755 12.371 ( -2.179 0.000 -5.848) 6.240 12.474 ( 0.120 0.000 1.456) 1.461 12.605 ( -1.872 0.000 3.662) 4.113 12.815 ( -3.951 0.000 -0.068) 3.952 12.916 ( 3.041 0.000 2.598) 4.000 13.214 ( 0.784 0.000 3.903) 3.981 13.279 ( -3.805 0.000 -3.569) 5.217 13.361 ( 2.390 0.000 0.359) 2.417 13.427 ( 2.521 0.000 0.188) 2.528 13.445 ( -2.701 0.000 -3.022) 4.053 13.497 ( 0.413 0.000 -3.429) 3.454 13.672 ( -4.532 0.000 -3.889) 5.972 13.675 ( 0.843 0.000 2.794) 2.918 13.782 ( -1.038 0.000 -1.386) 1.732 14.205 ( -4.218 0.000 5.680) 7.075 14.301 ( -9.471 0.000 2.602) 9.822 14.830 ( 0.159 0.000 2.525) 2.530 14.884 ( -0.837 0.000 0.531) 0.991 15.045 ( 0.744 0.000 1.680) 1.838 15.228 ( -1.970 0.000 -4.507) 4.918 15.753 ( -0.156 0.000 3.410) 3.414 15.855 ( -1.177 0.000 0.014) 1.177 15.901 ( -0.446 0.000 -1.569) 1.631 15.911 ( -0.858 0.000 -1.277) 1.538 15.983 ( 2.405 0.000 0.573) 2.472 16.077 ( 0.554 0.000 -0.761) 0.942 16.119 ( 2.828 0.000 -0.151) 2.832 16.243 ( 1.491 0.000 -2.948) 3.303 18.552 ( 3.541 0.000 4.020) 5.357 18.712 ( 2.487 0.000 -2.212) 3.328 18.863 ( 21.908 0.000 -8.896) 23.646 19.224 ( 2.799 0.000 -14.282) 14.554 20.070 ( -0.872 0.000 -0.011) 0.872 20.145 ( -2.589 0.000 -0.856) 2.727 20.413 ( -3.572 0.000 1.069) 3.728 20.492 ( -3.593 0.000 -0.472) 3.624 20.773 ( 9.418 0.000 8.351) 12.587 21.021 ( 8.251 0.000 4.577) 9.436 21.899 ( -6.479 0.000 13.104) 14.618 22.469 ( -15.639 0.000 -1.242) 15.688 24.137 ( 0.199 0.000 4.742) 4.746 24.157 ( 0.330 0.000 3.414) 3.429 24.390 ( 1.873 0.000 -2.318) 2.980 24.438 ( 0.051 0.000 -3.190) 3.191 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 8.935 0.000 13.043) 15.809 1.445 ( 10.251 0.000 14.446) 17.714 1.774 ( -0.404 0.000 2.416) 2.449 1.993 ( -17.280 0.000 -4.023) 17.742 2.110 ( 0.862 0.000 7.812) 7.859 2.142 ( -0.573 0.000 -2.791) 2.849 2.290 ( 7.826 0.000 8.660) 11.672 2.461 ( -9.727 0.000 7.305) 12.164 2.474 ( -12.588 0.000 12.786) 17.943 2.609 ( -5.188 0.000 -3.386) 6.195 2.730 ( -5.798 0.000 -1.225) 5.926 2.774 ( -3.178 0.000 -3.766) 4.927 2.976 ( 9.353 0.000 -1.082) 9.416 3.072 ( 1.222 0.000 0.830) 1.477 3.101 ( 9.955 0.000 8.009) 12.777 3.160 ( 2.476 0.000 14.108) 14.324 3.195 ( -4.021 0.000 -1.133) 4.177 3.440 ( 2.531 0.000 9.917) 10.235 3.483 ( 0.321 0.000 8.051) 8.058 3.619 ( -3.685 0.000 5.280) 6.439 3.667 ( 0.616 0.000 6.596) 6.625 3.777 ( -2.886 0.000 4.387) 5.251 3.788 ( -3.741 0.000 2.815) 4.682 3.856 ( -5.071 0.000 1.682) 5.342 3.912 ( 6.598 0.000 5.414) 8.535 3.971 ( 4.958 0.000 -1.998) 5.345 4.304 ( 2.172 0.000 1.554) 2.671 4.342 ( 2.988 0.000 -2.251) 3.741 4.585 ( 3.438 0.000 10.877) 11.408 4.600 ( 2.748 0.000 10.283) 10.644 4.917 ( 3.296 0.000 5.209) 6.165 5.001 ( -1.632 0.000 4.662) 4.939 5.145 ( 3.764 0.000 -2.459) 4.496 5.390 ( -7.236 0.000 -7.789) 10.631 5.400 ( 4.929 0.000 6.076) 7.824 5.588 ( -4.161 0.000 2.299) 4.754 5.617 ( 3.738 0.000 3.336) 5.010 5.808 ( -5.291 0.000 6.211) 8.159 6.480 ( 8.376 0.000 8.385) 11.852 6.781 ( 4.989 0.000 -1.759) 5.290 6.816 ( -7.730 0.000 0.689) 7.760 7.024 ( 3.022 0.000 5.564) 6.332 7.055 ( -4.903 0.000 1.171) 5.041 7.215 ( -8.215 0.000 -5.783) 10.046 7.552 ( -5.333 0.000 -1.456) 5.529 7.566 ( -1.685 0.000 -4.722) 5.013 7.883 ( -1.147 0.000 -5.920) 6.030 7.894 ( 0.326 0.000 -6.257) 6.266 8.328 ( 0.900 0.000 -2.128) 2.310 8.332 ( 0.823 0.000 -0.635) 1.040 8.560 ( 4.375 0.000 2.176) 4.886 8.706 ( 3.814 0.000 3.655) 5.282 8.739 ( -5.800 0.000 -4.038) 7.067 8.989 ( -7.635 0.000 5.045) 9.151 9.197 ( 3.165 0.000 -8.176) 8.767 9.373 ( 1.206 0.000 0.709) 1.399 9.700 ( 0.237 0.000 -7.254) 7.258 9.725 ( 2.715 0.000 -5.793) 6.398 9.938 ( -1.701 0.000 -0.584) 1.798 10.039 ( -1.344 0.000 3.003) 3.290 10.047 ( -4.679 0.000 1.172) 4.823 10.122 ( -4.466 0.000 -1.105) 4.601 10.381 ( 5.681 0.000 -5.018) 7.580 10.390 ( 6.692 0.000 -0.668) 6.725 10.525 ( 0.439 0.000 -6.130) 6.146 10.580 ( -0.331 0.000 -8.584) 8.590 10.799 ( 5.954 0.000 -1.707) 6.194 10.883 ( 2.946 0.000 -9.249) 9.707 11.271 ( 7.141 0.000 5.026) 8.732 11.297 ( 9.155 0.000 -1.975) 9.366 11.497 ( 4.147 0.000 0.176) 4.151 11.541 ( -4.483 0.000 -0.474) 4.508 11.752 ( -6.472 0.000 1.836) 6.728 11.852 ( -9.522 0.000 1.021) 9.577 12.090 ( 6.073 0.000 1.586) 6.276 12.317 ( -3.934 0.000 -3.456) 5.236 12.377 ( 2.115 0.000 -3.757) 4.312 12.441 ( -2.138 0.000 3.499) 4.100 12.589 ( 0.404 0.000 0.770) 0.869 12.719 ( -5.451 0.000 -0.270) 5.457 13.008 ( 5.848 0.000 -1.954) 6.166 13.203 ( -4.073 0.000 -3.437) 5.329 13.239 ( 1.882 0.000 2.944) 3.494 13.373 ( -4.355 0.000 -1.180) 4.512 13.421 ( 3.630 0.000 -1.059) 3.781 13.469 ( 1.785 0.000 -1.286) 2.200 13.509 ( 0.409 0.000 -4.003) 4.024 13.578 ( -4.506 0.000 -2.653) 5.229 13.689 ( 0.599 0.000 2.734) 2.799 13.752 ( -2.035 0.000 -0.027) 2.035 14.125 ( -3.108 0.000 5.214) 6.070 14.160 ( -4.898 0.000 4.094) 6.383 14.836 ( 0.453 0.000 2.230) 2.276 14.865 ( -1.004 0.000 1.184) 1.552 15.067 ( 1.576 0.000 0.447) 1.638 15.171 ( -3.478 0.000 -2.908) 4.533 15.759 ( 0.858 0.000 2.472) 2.616 15.821 ( -2.003 0.000 0.778) 2.149 15.900 ( 0.064 0.000 -2.705) 2.705 15.901 ( -0.195 0.000 -1.918) 1.928 16.027 ( 2.171 0.000 0.504) 2.229 16.082 ( -0.311 0.000 -0.361) 0.477 16.181 ( 3.199 0.000 -0.136) 3.202 16.255 ( -0.299 0.000 -1.786) 1.811 18.640 ( 4.950 0.000 1.394) 5.142 18.748 ( 0.510 0.000 -1.853) 1.922 19.234 ( 13.863 0.000 -15.981) 21.156 19.303 ( 4.894 0.000 -13.335) 14.205 20.048 ( -1.311 0.000 -1.092) 1.707 20.079 ( -3.664 0.000 -1.134) 3.836 20.367 ( -0.974 0.000 1.951) 2.180 20.422 ( -3.281 0.000 0.334) 3.298 20.990 ( 12.398 0.000 6.554) 14.024 21.200 ( 8.236 0.000 2.411) 8.581 21.754 ( -6.377 0.000 14.574) 15.908 22.116 ( -19.144 0.000 6.527) 20.226 24.146 ( 0.639 0.000 3.482) 3.540 24.162 ( 0.063 0.000 2.894) 2.894 24.423 ( 1.300 0.000 -2.016) 2.399 24.440 ( 0.091 0.000 -2.407) 2.408 ======================= Grid point 101 (36/64) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -13.848 0.000 1.844) 13.970 1.438 ( 13.848 0.000 1.844) 13.970 1.768 ( -1.831 0.000 -0.377) 1.869 1.768 ( 1.831 0.000 -0.377) 1.869 2.157 ( -1.061 0.000 4.031) 4.168 2.157 ( 1.061 0.000 4.031) 4.168 2.314 ( -0.561 0.000 11.681) 11.694 2.314 ( 0.561 0.000 11.681) 11.694 2.465 ( -9.406 0.000 1.266) 9.491 2.465 ( 9.406 0.000 1.266) 9.491 2.708 ( -2.550 0.000 -0.868) 2.694 2.708 ( 2.550 0.000 -0.868) 2.694 3.068 ( -2.678 0.000 -3.790) 4.641 3.068 ( 2.678 0.000 -3.790) 4.641 3.126 ( -1.912 0.000 1.177) 2.246 3.126 ( 1.912 0.000 1.177) 2.246 3.445 ( -7.323 0.000 6.906) 10.066 3.445 ( 7.323 0.000 6.906) 10.066 3.508 ( -5.188 0.000 16.544) 17.338 3.508 ( 5.188 0.000 16.544) 17.338 3.688 ( -3.579 0.000 4.638) 5.858 3.688 ( 3.579 0.000 4.638) 5.858 3.761 ( -2.654 0.000 3.704) 4.557 3.761 ( 2.654 0.000 3.704) 4.557 4.015 ( -1.911 0.000 1.955) 2.734 4.015 ( 1.911 0.000 1.955) 2.734 4.348 ( -1.861 0.000 -0.399) 1.903 4.348 ( 1.861 0.000 -0.399) 1.903 4.624 ( -0.659 0.000 8.688) 8.713 4.624 ( 0.659 0.000 8.688) 8.713 4.965 ( -1.810 0.000 5.344) 5.642 4.965 ( 1.810 0.000 5.344) 5.642 5.252 ( -6.724 0.000 -4.062) 7.856 5.252 ( 6.724 0.000 -4.062) 7.856 5.498 ( -4.969 0.000 8.049) 9.459 5.498 ( 4.969 0.000 8.049) 9.459 5.705 ( -5.223 0.000 4.430) 6.849 5.705 ( 5.223 0.000 4.430) 6.849 6.651 ( -9.042 0.000 3.714) 9.775 6.651 ( 9.042 0.000 3.714) 9.775 6.911 ( -8.354 0.000 0.972) 8.410 6.911 ( 8.354 0.000 0.972) 8.410 7.096 ( -4.559 0.000 -0.808) 4.630 7.096 ( 4.559 0.000 -0.808) 4.630 7.520 ( -1.603 0.000 -5.502) 5.731 7.520 ( 1.603 0.000 -5.502) 5.731 7.889 ( -0.849 0.000 -5.413) 5.479 7.889 ( 0.849 0.000 -5.413) 5.479 8.337 ( -0.126 0.000 -0.988) 0.996 8.337 ( 0.126 0.000 -0.988) 0.996 8.642 ( -4.347 0.000 -2.723) 5.129 8.642 ( 4.347 0.000 -2.723) 5.129 8.825 ( -8.078 0.000 5.329) 9.678 8.825 ( 8.078 0.000 5.329) 9.678 9.307 ( -6.428 0.000 -6.935) 9.456 9.307 ( 6.428 0.000 -6.935) 9.456 9.744 ( -1.673 0.000 -5.921) 6.153 9.744 ( 1.673 0.000 -5.921) 6.153 9.946 ( -3.580 0.000 1.686) 3.957 9.946 ( 3.580 0.000 1.686) 3.957 10.054 ( -2.414 0.000 2.807) 3.702 10.054 ( 2.414 0.000 2.807) 3.702 10.454 ( -1.187 0.000 -3.513) 3.708 10.454 ( 1.187 0.000 -3.513) 3.708 10.548 ( -2.532 0.000 -7.498) 7.914 10.548 ( 2.532 0.000 -7.498) 7.914 10.887 ( -2.611 0.000 -5.824) 6.383 10.887 ( 2.611 0.000 -5.824) 6.383 11.393 ( -4.745 0.000 4.945) 6.853 11.393 ( 4.745 0.000 4.945) 6.853 11.514 ( -5.975 0.000 0.921) 6.045 11.514 ( 5.975 0.000 0.921) 6.045 11.695 ( -5.361 0.000 -2.060) 5.743 11.695 ( 5.361 0.000 -2.060) 5.743 12.216 ( -6.317 0.000 -0.183) 6.320 12.216 ( 6.317 0.000 -0.183) 6.320 12.410 ( -1.355 0.000 -0.635) 1.496 12.410 ( 1.355 0.000 -0.635) 1.496 12.627 ( -3.603 0.000 -0.196) 3.608 12.627 ( 3.603 0.000 -0.196) 3.608 13.116 ( -5.082 0.000 -3.372) 6.099 13.116 ( 5.082 0.000 -3.372) 6.099 13.292 ( -3.650 0.000 1.047) 3.797 13.292 ( 3.650 0.000 1.047) 3.797 13.487 ( -2.561 0.000 -3.656) 4.464 13.487 ( 2.561 0.000 -3.656) 4.464 13.510 ( -2.466 0.000 -1.895) 3.110 13.510 ( 2.466 0.000 -1.895) 3.110 13.711 ( -1.888 0.000 1.929) 2.699 13.711 ( 1.888 0.000 1.929) 2.699 14.104 ( -0.981 0.000 4.741) 4.841 14.104 ( 0.981 0.000 4.741) 4.841 14.848 ( -0.787 0.000 1.780) 1.946 14.848 ( 0.787 0.000 1.780) 1.946 15.108 ( -2.769 0.000 -1.136) 2.993 15.108 ( 2.769 0.000 -1.136) 2.993 15.784 ( -1.708 0.000 1.562) 2.315 15.784 ( 1.708 0.000 1.562) 2.315 15.900 ( -0.020 0.000 -2.529) 2.529 15.900 ( 0.020 0.000 -2.529) 2.529 16.064 ( -1.499 0.000 0.190) 1.511 16.064 ( 1.499 0.000 0.190) 1.511 16.232 ( -1.980 0.000 -0.790) 2.132 16.232 ( 1.980 0.000 -0.790) 2.132 18.722 ( -3.076 0.000 -0.859) 3.193 18.722 ( 3.076 0.000 -0.859) 3.193 19.365 ( -0.259 0.000 -14.545) 14.548 19.365 ( 0.259 0.000 -14.545) 14.548 20.035 ( -0.523 0.000 -1.439) 1.531 20.035 ( 0.523 0.000 -1.439) 1.531 20.374 ( -1.578 0.000 1.256) 2.017 20.374 ( 1.578 0.000 1.256) 2.017 21.209 ( -8.206 0.000 3.570) 8.949 21.209 ( 8.206 0.000 3.570) 8.949 21.795 ( -11.940 0.000 12.364) 17.188 21.795 ( 11.940 0.000 12.364) 17.188 24.158 ( -0.480 0.000 2.770) 2.811 24.158 ( 0.480 0.000 2.770) 2.811 24.438 ( -0.333 0.000 -1.898) 1.927 24.438 ( 0.333 0.000 -1.898) 1.927 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 16.682 18.499) 24.910 1.466 ( 0.000 9.203 26.351) 27.912 1.769 ( 0.000 3.166 7.010) 7.692 2.036 ( 0.000 -0.037 11.389) 11.389 2.194 ( 0.000 13.514 20.267) 24.359 2.201 ( 0.000 5.670 8.476) 10.198 2.306 ( 0.000 -3.127 13.555) 13.911 2.408 ( 0.000 -10.813 4.721) 11.799 2.666 ( 0.000 2.018 -5.621) 5.972 2.826 ( 0.000 0.490 6.866) 6.884 2.826 ( 0.000 -2.467 5.528) 6.053 2.888 ( 0.000 0.013 6.248) 6.248 2.968 ( 0.000 5.845 -8.987) 10.721 3.036 ( 0.000 -7.845 5.083) 9.348 3.214 ( 0.000 -5.311 -2.463) 5.854 3.271 ( 0.000 -2.069 7.666) 7.940 3.318 ( 0.000 -8.732 -4.249) 9.711 3.343 ( 0.000 3.873 9.813) 10.550 3.411 ( 0.000 -1.787 -1.759) 2.507 3.516 ( 0.000 5.754 6.798) 8.906 3.532 ( 0.000 3.888 -5.287) 6.563 3.653 ( 0.000 1.085 1.735) 2.047 3.704 ( 0.000 8.041 -5.342) 9.654 3.946 ( 0.000 -5.677 -0.495) 5.698 4.089 ( 0.000 -1.737 11.132) 11.267 4.096 ( 0.000 -5.870 1.307) 6.014 4.191 ( 0.000 3.432 -3.580) 4.959 4.254 ( 0.000 -3.581 9.629) 10.274 4.259 ( 0.000 6.408 12.221) 13.799 4.579 ( 0.000 2.548 13.145) 13.389 4.846 ( 0.000 1.482 3.405) 3.714 4.979 ( 0.000 -0.385 6.996) 7.007 5.196 ( 0.000 0.309 -17.109) 17.111 5.254 ( 0.000 5.252 5.885) 7.888 5.490 ( 0.000 -2.746 -6.889) 7.416 5.648 ( 0.000 2.202 -7.450) 7.768 5.665 ( 0.000 5.406 -3.764) 6.587 5.989 ( 0.000 -4.619 -3.046) 5.533 6.183 ( 0.000 -1.837 21.349) 21.428 6.643 ( 0.000 -2.998 0.580) 3.054 6.908 ( 0.000 -5.708 2.320) 6.162 6.952 ( 0.000 -2.188 12.003) 12.201 7.198 ( 0.000 7.544 -4.628) 8.850 7.514 ( 0.000 -1.804 -3.468) 3.909 7.528 ( 0.000 3.572 -1.250) 3.784 7.701 ( 0.000 0.941 -0.474) 1.054 7.958 ( 0.000 0.240 -7.430) 7.434 8.030 ( 0.000 0.851 -5.325) 5.392 8.230 ( 0.000 -3.157 1.375) 3.443 8.235 ( 0.000 -3.363 -1.165) 3.559 8.504 ( 0.000 3.859 6.222) 7.322 8.588 ( 0.000 -3.714 3.473) 5.085 8.982 ( 0.000 5.152 2.721) 5.826 9.035 ( 0.000 1.405 -10.691) 10.783 9.344 ( 0.000 1.980 5.767) 6.098 9.348 ( 0.000 0.586 -0.284) 0.651 9.615 ( 0.000 -0.167 -5.558) 5.561 9.686 ( 0.000 -4.914 -9.204) 10.434 9.966 ( 0.000 -0.537 2.088) 2.156 10.010 ( 0.000 -2.753 -6.386) 6.955 10.094 ( 0.000 -0.221 0.722) 0.755 10.215 ( 0.000 0.394 5.867) 5.880 10.280 ( 0.000 -3.020 -4.861) 5.723 10.349 ( 0.000 0.351 -5.679) 5.690 10.392 ( 0.000 -1.402 -12.832) 12.908 10.566 ( 0.000 -5.555 -1.358) 5.719 10.605 ( 0.000 10.519 -3.687) 11.146 10.802 ( 0.000 3.731 -8.929) 9.677 11.060 ( 0.000 -2.691 -1.120) 2.915 11.076 ( 0.000 -1.835 3.460) 3.917 11.398 ( 0.000 -3.287 0.307) 3.301 11.452 ( 0.000 -9.578 -6.578) 11.620 11.851 ( 0.000 2.157 5.514) 5.921 11.934 ( 0.000 -4.012 6.307) 7.475 12.270 ( 0.000 -2.655 -0.410) 2.686 12.313 ( 0.000 10.044 2.513) 10.354 12.415 ( 0.000 0.352 -5.023) 5.036 12.472 ( 0.000 2.423 -5.632) 6.131 12.611 ( 0.000 -2.077 5.031) 5.442 12.865 ( 0.000 0.323 1.521) 1.555 12.930 ( 0.000 4.066 1.504) 4.335 13.205 ( 0.000 0.507 2.360) 2.413 13.276 ( 0.000 -3.520 -2.178) 4.140 13.388 ( 0.000 3.106 -3.557) 4.723 13.417 ( 0.000 3.146 2.519) 4.030 13.444 ( 0.000 -2.717 -4.493) 5.251 13.505 ( 0.000 1.186 -2.295) 2.583 13.684 ( 0.000 1.798 2.642) 3.196 13.692 ( 0.000 -3.146 -3.125) 4.434 13.791 ( 0.000 0.152 -1.650) 1.657 14.211 ( 0.000 -3.840 5.728) 6.896 14.296 ( 0.000 -8.957 3.198) 9.510 14.807 ( 0.000 -1.336 1.565) 2.058 14.874 ( 0.000 -1.830 -0.453) 1.885 15.223 ( 0.000 12.465 -4.032) 13.101 15.286 ( 0.000 4.115 -3.898) 5.668 15.763 ( 0.000 0.732 3.652) 3.725 15.874 ( 0.000 1.169 -0.387) 1.232 15.896 ( 0.000 -1.420 -0.043) 1.421 15.942 ( 0.000 0.502 -2.534) 2.583 15.953 ( 0.000 1.047 2.144) 2.386 16.059 ( 0.000 -0.721 -1.254) 1.446 16.111 ( 0.000 1.779 -0.374) 1.817 16.216 ( 0.000 -0.322 -3.088) 3.105 18.540 ( 0.000 1.204 5.677) 5.804 18.592 ( 0.000 0.690 0.780) 1.042 18.730 ( 0.000 4.522 -3.287) 5.590 19.164 ( 0.000 -3.556 -13.809) 14.260 20.082 ( 0.000 0.378 -0.397) 0.548 20.166 ( 0.000 -0.473 -1.893) 1.951 20.457 ( 0.000 -0.963 0.070) 0.966 20.482 ( 0.000 -3.824 4.109) 5.613 20.715 ( 0.000 3.742 7.304) 8.207 20.909 ( 0.000 -2.166 6.644) 6.989 21.992 ( 0.000 2.939 11.391) 11.764 22.555 ( 0.000 -7.826 -4.692) 9.125 24.138 ( 0.000 0.878 3.284) 3.400 24.190 ( 0.000 3.079 4.047) 5.085 24.336 ( 0.000 -2.853 -2.100) 3.543 24.437 ( 0.000 -0.509 -3.249) 3.288 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -11.222 9.457 25.864) 29.737 1.387 ( 8.174 15.002 15.703) 23.204 1.766 ( -0.627 0.678 5.189) 5.271 2.105 ( 3.096 0.423 2.245) 3.847 2.159 ( -5.609 1.387 8.301) 10.114 2.221 ( 1.264 3.184 10.680) 11.216 2.315 ( -6.977 -2.452 3.890) 8.356 2.468 ( 11.655 0.536 16.209) 19.972 2.627 ( -4.184 0.619 -0.599) 4.271 2.732 ( -6.510 1.085 4.304) 7.879 2.795 ( -5.142 -0.251 2.773) 5.848 2.883 ( 4.540 4.336 5.680) 8.466 2.923 ( -5.950 3.827 -5.313) 8.847 2.983 ( -1.299 -4.615 7.697) 9.068 3.140 ( -6.421 2.345 3.897) 7.869 3.177 ( -5.792 -3.769 1.194) 7.012 3.292 ( -0.139 -4.505 2.825) 5.319 3.362 ( -2.241 2.360 -1.336) 3.518 3.467 ( 4.856 -3.445 3.699) 7.010 3.540 ( 1.110 4.372 6.318) 7.763 3.616 ( 8.360 -1.950 0.398) 8.594 3.692 ( 6.346 -0.021 -1.053) 6.433 3.823 ( 0.950 3.407 4.895) 6.039 3.873 ( -4.900 -4.077 -3.062) 7.072 3.986 ( -4.260 1.320 7.653) 8.858 4.056 ( -6.701 2.671 4.516) 8.511 4.168 ( 6.053 -4.578 2.986) 8.156 4.303 ( 5.102 4.638 -0.528) 6.916 4.431 ( 7.361 -3.543 13.408) 15.701 4.593 ( 1.357 2.518 12.397) 12.722 4.869 ( 2.271 1.356 3.914) 4.724 4.998 ( 1.384 -0.529 5.481) 5.678 5.149 ( -1.280 2.395 -7.119) 7.620 5.342 ( 4.611 2.781 -0.753) 5.437 5.466 ( -1.941 -1.674 -7.296) 7.733 5.608 ( -2.928 1.951 -1.838) 3.970 5.678 ( 0.397 4.187 -5.049) 6.571 5.912 ( -5.367 -1.149 5.129) 7.512 6.275 ( 6.971 -4.307 13.177) 15.517 6.665 ( 1.649 -4.699 -1.092) 5.098 6.880 ( -2.202 -3.624 3.392) 5.430 6.975 ( 2.090 -1.405 9.376) 9.708 7.181 ( -1.763 6.873 -3.117) 7.750 7.425 ( -7.566 3.071 -3.992) 9.089 7.533 ( -0.815 -1.336 -3.413) 3.755 7.687 ( -3.031 0.517 0.410) 3.102 7.889 ( -3.480 -1.252 -5.758) 6.843 7.955 ( -5.496 -0.073 -5.666) 7.893 8.252 ( 2.892 -2.461 -0.494) 3.829 8.314 ( 4.094 -0.852 -1.124) 4.330 8.515 ( 1.281 2.813 5.556) 6.358 8.607 ( 1.845 -3.611 2.658) 4.849 8.914 ( -5.722 4.580 -2.974) 7.909 9.051 ( 0.523 1.606 -3.348) 3.750 9.248 ( -7.156 -1.869 0.402) 7.406 9.362 ( 2.003 4.906 3.399) 6.295 9.662 ( 3.613 0.044 -5.355) 6.460 9.676 ( -1.020 -4.872 -9.335) 10.579 9.935 ( -4.963 -6.096 -4.123) 8.877 10.025 ( -0.820 -1.297 -0.304) 1.564 10.090 ( 2.022 -1.477 0.057) 2.505 10.189 ( -3.881 -1.098 -0.574) 4.074 10.273 ( 5.191 1.423 -0.588) 5.414 10.346 ( 0.278 1.708 -4.582) 4.898 10.479 ( 3.983 -1.578 -10.139) 11.007 10.556 ( 0.304 -0.155 -2.631) 2.653 10.680 ( 5.068 1.740 -1.290) 5.511 10.829 ( 2.566 2.283 -8.544) 9.208 11.087 ( 5.118 -2.127 0.560) 5.570 11.185 ( 8.282 0.747 0.066) 8.316 11.401 ( 0.785 -4.635 -1.912) 5.075 11.502 ( 4.045 -6.104 -4.597) 8.646 11.828 ( -2.725 0.416 6.056) 6.654 11.962 ( 2.749 -1.651 5.898) 6.713 12.149 ( -8.598 4.354 1.430) 9.743 12.342 ( 0.528 0.369 1.148) 1.316 12.397 ( -0.814 4.072 -4.772) 6.326 12.496 ( 0.209 1.530 -1.363) 2.060 12.592 ( -1.121 -1.245 2.458) 2.975 12.838 ( -3.527 1.600 -0.013) 3.873 12.937 ( 1.951 2.429 0.384) 3.139 13.196 ( -1.040 -0.806 0.065) 1.317 13.279 ( 0.179 -0.773 -1.378) 1.590 13.384 ( 0.665 2.466 -0.609) 2.625 13.428 ( -0.680 -0.987 -2.431) 2.710 13.437 ( 0.333 0.347 -0.953) 1.068 13.504 ( 0.073 0.836 -2.865) 2.985 13.640 ( -4.094 -2.115 -1.295) 4.786 13.685 ( -0.688 0.196 0.840) 1.103 13.770 ( -2.211 -1.218 -1.310) 2.844 14.180 ( -2.459 -2.176 5.438) 6.352 14.251 ( -3.808 -3.669 4.536) 6.967 14.808 ( 0.165 -1.511 1.569) 2.184 14.866 ( -0.786 -1.756 -0.161) 1.931 15.167 ( -3.431 9.437 -1.168) 10.109 15.269 ( -2.527 3.905 -4.003) 6.137 15.758 ( -0.258 0.559 3.133) 3.193 15.850 ( -1.781 -0.575 0.546) 1.949 15.896 ( -0.018 -0.213 -1.701) 1.714 15.916 ( -1.300 0.282 -1.368) 1.908 15.992 ( 2.411 0.933 0.509) 2.635 16.068 ( 0.828 -0.709 -0.859) 1.387 16.140 ( 2.546 1.788 -0.211) 3.118 16.242 ( 1.628 -0.167 -2.667) 3.129 18.571 ( 3.865 1.900 3.449) 5.518 18.715 ( 4.778 0.045 -3.272) 5.792 18.859 ( 15.393 0.176 -5.833) 16.462 19.195 ( 3.407 -3.223 -13.527) 14.317 20.071 ( -1.030 0.369 -0.941) 1.443 20.150 ( -1.635 0.248 -1.979) 2.579 20.405 ( -3.012 -0.706 2.853) 4.208 20.470 ( -2.308 -1.932 1.638) 3.427 20.799 ( 8.300 2.369 7.323) 11.320 20.999 ( 8.421 -2.172 5.684) 10.389 21.922 ( -6.975 2.496 11.971) 14.078 22.407 ( -14.134 -6.147 -0.358) 15.417 24.144 ( 0.602 1.020 2.936) 3.166 24.186 ( -0.266 2.716 3.437) 4.389 24.354 ( 1.592 -3.075 -2.020) 4.009 24.438 ( 0.015 -0.640 -2.914) 2.983 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 3.964 4.139 13.614) 14.771 1.540 ( 2.732 6.445 7.437) 10.213 1.739 ( 0.073 -1.740 1.577) 2.350 1.993 ( -9.830 -1.339 -0.173) 9.922 2.118 ( -0.365 1.473 5.456) 5.664 2.207 ( -1.178 6.254 -0.277) 6.370 2.315 ( 2.998 1.024 9.109) 9.645 2.415 ( -5.470 -1.012 7.176) 9.080 2.554 ( -7.433 7.070 4.023) 11.019 2.600 ( -4.313 -0.162 0.465) 4.341 2.776 ( -5.905 4.996 0.759) 7.772 2.805 ( -2.421 1.210 3.439) 4.376 2.985 ( 3.973 -1.390 0.206) 4.214 3.028 ( 1.923 -0.166 -2.038) 2.806 3.092 ( 0.261 -3.310 4.434) 5.539 3.163 ( 4.431 0.362 4.403) 6.257 3.238 ( 2.334 4.640 6.766) 8.530 3.395 ( 3.840 -2.401 8.944) 10.025 3.517 ( -3.053 -1.278 6.730) 7.500 3.543 ( 2.223 -1.346 6.469) 6.972 3.700 ( 0.182 2.005 4.681) 5.095 3.734 ( -2.986 -4.169 3.699) 6.323 3.803 ( -1.185 -3.373 -0.942) 3.697 3.815 ( -3.060 2.118 3.489) 5.101 3.927 ( 2.837 -1.429 1.834) 3.668 4.048 ( 1.874 6.331 5.760) 8.762 4.301 ( 5.759 -0.293 0.318) 5.775 4.356 ( 0.874 2.305 3.297) 4.117 4.538 ( 4.332 -4.057 12.640) 13.964 4.625 ( 1.265 1.403 8.773) 8.974 4.926 ( 3.201 1.052 4.869) 5.922 5.008 ( -0.763 0.511 4.943) 5.027 5.162 ( 2.661 1.615 -4.451) 5.432 5.351 ( -4.283 -2.961 -6.268) 8.149 5.462 ( 2.535 5.468 3.392) 6.916 5.568 ( -1.319 0.123 2.889) 3.178 5.680 ( 0.521 4.077 0.959) 4.220 5.813 ( -5.054 0.400 5.742) 7.660 6.418 ( 7.735 -5.609 8.295) 12.654 6.668 ( -2.497 -8.603 -0.106) 8.959 6.858 ( 1.297 2.013 2.046) 3.150 7.021 ( 1.812 -0.590 5.972) 6.268 7.124 ( -4.007 5.906 2.079) 7.434 7.257 ( -8.589 4.215 -7.601) 12.219 7.493 ( -1.976 -3.392 -5.604) 6.842 7.592 ( -5.532 -0.155 -2.204) 5.957 7.861 ( 0.022 -1.566 -4.649) 4.906 7.894 ( -1.018 -0.575 -4.931) 5.067 8.304 ( 2.257 -1.041 -0.104) 2.488 8.357 ( 0.282 0.757 -1.556) 1.753 8.562 ( 3.502 0.519 2.532) 4.352 8.651 ( 2.152 -2.864 2.047) 4.125 8.807 ( -3.796 4.391 -3.656) 6.860 8.990 ( -7.318 0.235 4.014) 8.350 9.197 ( 3.253 0.381 -6.688) 7.447 9.402 ( -0.063 2.413 -0.301) 2.433 9.637 ( -1.098 -4.172 -7.367) 8.537 9.737 ( 1.722 -0.207 -6.080) 6.323 9.833 ( -1.819 -10.006 -0.759) 10.198 9.993 ( -2.792 0.201 1.793) 3.324 10.112 ( -1.004 -0.296 -0.503) 1.161 10.133 ( -1.425 0.015 -1.846) 2.332 10.374 ( 3.823 -0.139 -1.304) 4.041 10.402 ( 5.520 1.374 -4.475) 7.238 10.509 ( -0.358 -1.441 -6.678) 6.841 10.555 ( -1.227 -0.758 -4.514) 4.738 10.777 ( 5.066 -2.201 -1.465) 5.715 10.876 ( 1.444 -0.652 -7.223) 7.395 11.231 ( 8.189 -0.457 -1.366) 8.315 11.355 ( 7.605 1.963 1.649) 8.026 11.427 ( 2.294 -3.378 -4.700) 6.226 11.587 ( 5.282 -0.150 -0.318) 5.294 11.736 ( -6.758 1.487 7.107) 9.920 11.924 ( -9.005 4.821 4.417) 11.129 12.093 ( 5.061 0.426 1.152) 5.208 12.312 ( -3.712 -1.510 0.269) 4.016 12.405 ( 1.706 4.233 -1.107) 4.696 12.475 ( -1.470 2.448 -0.681) 2.935 12.586 ( 0.532 -0.346 0.025) 0.635 12.736 ( -6.319 1.505 -0.299) 6.503 13.009 ( 4.724 0.305 -3.386) 5.820 13.160 ( -2.716 -1.968 -3.835) 5.095 13.291 ( 1.474 3.131 1.088) 3.628 13.391 ( -2.556 1.333 -1.248) 3.142 13.424 ( 3.067 0.351 -0.810) 3.192 13.451 ( 0.905 -1.638 -1.442) 2.362 13.507 ( -0.251 -0.192 -3.452) 3.466 13.556 ( -3.845 -1.630 -2.085) 4.668 13.666 ( -1.179 -1.998 0.966) 2.513 13.710 ( -3.501 -3.890 -0.411) 5.250 14.144 ( -0.938 1.729 5.832) 6.154 14.182 ( -2.844 1.835 5.691) 6.621 14.815 ( 0.564 -1.661 1.394) 2.240 14.848 ( -1.004 -1.644 0.445) 1.977 15.128 ( -0.564 5.387 -0.398) 5.431 15.202 ( -3.748 2.941 -2.644) 5.449 15.762 ( 0.752 0.344 2.311) 2.454 15.816 ( -1.713 -0.505 0.912) 2.005 15.895 ( -0.058 -0.404 -2.504) 2.537 15.899 ( -0.496 -0.304 -2.156) 2.233 16.036 ( 2.022 0.790 0.539) 2.237 16.079 ( 0.094 -0.219 -0.213) 0.320 16.194 ( 2.749 1.218 -0.237) 3.017 16.256 ( -0.149 0.123 -1.617) 1.628 18.664 ( 5.128 2.480 0.703) 5.739 18.768 ( 0.890 2.049 -2.799) 3.581 19.141 ( 11.271 -7.278 -11.647) 17.767 19.283 ( 4.215 -3.894 -13.230) 14.421 20.052 ( -0.517 1.265 -2.007) 2.428 20.109 ( -2.432 1.962 -2.223) 3.835 20.367 ( -0.812 0.029 3.116) 3.220 20.415 ( -2.819 -0.650 1.795) 3.404 21.007 ( 12.422 1.721 6.063) 13.929 21.190 ( 9.606 -1.115 2.840) 10.079 21.758 ( -8.029 0.701 14.273) 16.391 22.077 ( -18.407 -4.008 6.693) 19.992 24.159 ( 0.826 1.317 2.254) 2.737 24.182 ( -0.264 2.088 2.448) 3.228 24.388 ( 1.718 -2.960 -1.793) 3.863 24.434 ( -0.506 -1.246 -2.198) 2.577 ======================= Grid point 108 (40/64) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -13.121 -3.043 1.727) 13.579 1.390 ( 13.121 -3.043 1.727) 13.579 1.833 ( -6.815 3.088 -0.819) 7.527 1.833 ( 6.815 3.088 -0.819) 7.527 2.155 ( -4.369 0.374 4.814) 6.511 2.155 ( 4.369 0.374 4.814) 6.511 2.357 ( -8.448 6.221 8.112) 13.261 2.357 ( 8.448 6.221 8.112) 13.261 2.515 ( -6.826 3.964 2.863) 8.397 2.515 ( 6.826 3.964 2.863) 8.397 2.736 ( -2.803 3.159 0.907) 4.320 2.736 ( 2.803 3.159 0.907) 4.320 3.052 ( -1.638 -4.538 1.991) 5.219 3.052 ( 1.638 -4.538 1.991) 5.219 3.100 ( -4.197 1.034 -4.227) 6.046 3.100 ( 4.197 1.034 -4.227) 6.046 3.403 ( -5.838 -4.529 8.111) 10.972 3.403 ( 5.838 -4.529 8.111) 10.972 3.539 ( -4.717 2.275 10.073) 11.353 3.539 ( 4.717 2.275 10.073) 11.353 3.706 ( -4.786 1.440 4.803) 6.932 3.706 ( 4.786 1.440 4.803) 6.932 3.750 ( -2.847 -0.628 3.870) 4.845 3.750 ( 2.847 -0.628 3.870) 4.845 4.027 ( -4.025 0.934 3.221) 5.240 4.027 ( 4.025 0.934 3.221) 5.240 4.360 ( -0.913 1.559 3.044) 3.540 4.360 ( 0.913 1.559 3.044) 3.540 4.611 ( -2.847 -1.589 8.630) 9.225 4.611 ( 2.847 -1.589 8.630) 9.225 4.977 ( -2.075 1.326 5.200) 5.753 4.977 ( 2.075 1.326 5.200) 5.753 5.245 ( -5.504 -0.727 -4.928) 7.424 5.245 ( 5.504 -0.727 -4.928) 7.424 5.526 ( -3.200 3.179 6.364) 7.800 5.526 ( 3.200 3.179 6.364) 7.800 5.722 ( -3.849 1.562 4.293) 5.974 5.722 ( 3.849 1.562 4.293) 5.974 6.566 ( -7.196 -7.393 3.923) 11.038 6.566 ( 7.196 -7.393 3.923) 11.038 6.948 ( -7.103 2.471 2.703) 7.992 6.948 ( 7.103 2.471 2.703) 7.992 7.132 ( -4.463 3.589 -1.592) 5.944 7.132 ( 4.463 3.589 -1.592) 5.944 7.503 ( -3.096 -1.792 -6.445) 7.371 7.503 ( 3.096 -1.792 -6.445) 7.371 7.877 ( -1.069 -1.213 -3.935) 4.254 7.877 ( 1.069 -1.213 -3.935) 4.254 8.340 ( -1.552 0.202 -0.580) 1.670 8.340 ( 1.552 0.202 -0.580) 1.670 8.634 ( -3.474 -0.549 -0.630) 3.573 8.634 ( 3.474 -0.549 -0.630) 3.573 8.842 ( -6.614 1.649 2.123) 7.139 8.842 ( 6.614 1.649 2.123) 7.139 9.313 ( -7.231 0.473 -6.722) 9.884 9.313 ( 7.231 0.473 -6.722) 9.884 9.683 ( -4.482 -5.025 -2.987) 7.366 9.683 ( 4.482 -5.025 -2.987) 7.366 9.905 ( -5.740 -3.261 -0.156) 6.603 9.905 ( 5.740 -3.261 -0.156) 6.603 10.108 ( -0.829 2.193 -0.569) 2.412 10.108 ( 0.829 2.193 -0.569) 2.412 10.447 ( -2.495 -0.003 -1.712) 3.025 10.447 ( 2.495 -0.003 -1.712) 3.025 10.512 ( -2.438 -2.270 -6.605) 7.398 10.512 ( 2.438 -2.270 -6.605) 7.398 10.862 ( -3.036 -2.280 -5.151) 6.399 10.862 ( 3.036 -2.280 -5.151) 6.399 11.356 ( -4.464 -1.777 -1.928) 5.177 11.356 ( 4.464 -1.777 -1.928) 5.177 11.573 ( -9.571 2.105 3.543) 10.421 11.573 ( 9.571 2.105 3.543) 10.421 11.736 ( -9.507 5.172 2.838) 11.188 11.736 ( 9.507 5.172 2.838) 11.188 12.212 ( -6.216 -0.511 0.780) 6.286 12.212 ( 6.216 -0.511 0.780) 6.286 12.445 ( -1.908 3.377 -1.316) 4.096 12.445 ( 1.908 3.377 -1.316) 4.096 12.628 ( -4.142 0.023 -0.164) 4.145 12.628 ( 4.142 0.023 -0.164) 4.145 13.095 ( -3.933 -1.425 -4.857) 6.411 13.095 ( 3.933 -1.425 -4.857) 6.411 13.336 ( -2.918 3.898 0.999) 4.970 13.336 ( 2.918 3.898 0.999) 4.970 13.470 ( -1.564 -2.086 -3.715) 4.538 13.470 ( 1.564 -2.086 -3.715) 4.538 13.501 ( -2.511 -0.554 -1.531) 2.993 13.501 ( 2.511 -0.554 -1.531) 2.993 13.660 ( -1.181 -4.333 0.652) 4.538 13.660 ( 1.181 -4.333 0.652) 4.538 14.145 ( -1.013 3.454 6.161) 7.136 14.145 ( 1.013 3.454 6.161) 7.136 14.829 ( -0.873 -1.625 0.998) 2.097 14.829 ( 0.873 -1.625 0.998) 2.097 15.143 ( -2.090 3.204 -1.309) 4.043 15.143 ( 2.090 3.204 -1.309) 4.043 15.785 ( -1.492 0.019 1.554) 2.154 15.785 ( 1.492 0.019 1.554) 2.154 15.895 ( -0.027 -0.551 -2.607) 2.665 15.895 ( 0.027 -0.551 -2.607) 2.665 16.068 ( -1.220 0.393 0.349) 1.329 16.068 ( 1.220 0.393 0.349) 1.329 16.238 ( -1.709 0.529 -0.771) 1.948 16.238 ( 1.709 0.529 -0.771) 1.948 18.746 ( -2.967 2.567 -1.620) 4.245 18.746 ( 2.967 2.567 -1.620) 4.245 19.290 ( -4.037 -7.179 -12.435) 14.916 19.290 ( 4.037 -7.179 -12.435) 14.916 20.065 ( -1.806 2.638 -2.569) 4.101 20.065 ( 1.806 2.638 -2.569) 4.101 20.373 ( -1.391 -0.046 2.460) 2.827 20.373 ( 1.391 -0.046 2.460) 2.827 21.227 ( -7.801 1.772 2.555) 8.397 21.227 ( 7.801 1.772 2.555) 8.397 21.766 ( -11.134 -2.892 13.291) 17.578 21.766 ( 11.134 -2.892 13.291) 17.578 24.173 ( -0.624 1.639 1.969) 2.637 24.173 ( 0.624 1.639 1.969) 2.637 24.417 ( -1.249 -2.194 -1.747) 3.070 24.417 ( 1.249 -2.194 -1.747) 3.070 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 16.358 7.528) 18.008 1.681 ( 0.000 12.685 17.434) 21.560 1.843 ( 0.000 4.158 8.941) 9.861 2.016 ( 0.000 -1.559 4.998) 5.235 2.182 ( 0.000 -8.262 11.307) 14.004 2.211 ( 0.000 -9.753 -0.527) 9.767 2.347 ( 0.000 9.447 9.592) 13.463 2.521 ( 0.000 11.117 12.146) 16.466 2.681 ( 0.000 -2.604 10.633) 10.947 2.750 ( 0.000 -6.781 18.225) 19.445 2.766 ( 0.000 8.276 14.395) 16.605 2.906 ( 0.000 0.999 1.771) 2.034 3.024 ( 0.000 3.307 1.174) 3.509 3.065 ( 0.000 0.842 -8.081) 8.125 3.113 ( 0.000 -5.001 -3.293) 5.988 3.203 ( 0.000 -2.737 -4.188) 5.003 3.254 ( 0.000 0.251 2.090) 2.105 3.382 ( 0.000 -0.965 -4.057) 4.170 3.401 ( 0.000 4.208 1.058) 4.339 3.562 ( 0.000 -0.693 -4.463) 4.517 3.568 ( 0.000 -6.085 -1.375) 6.239 3.751 ( 0.000 2.483 6.939) 7.369 3.755 ( 0.000 8.948 8.938) 12.648 3.844 ( 0.000 -9.530 4.318) 10.463 4.003 ( 0.000 1.248 -1.354) 1.842 4.040 ( 0.000 -3.434 11.351) 11.859 4.190 ( 0.000 -3.462 11.140) 11.665 4.215 ( 0.000 -1.076 -2.124) 2.381 4.403 ( 0.000 8.195 7.417) 11.053 4.603 ( 0.000 -0.697 10.210) 10.233 4.882 ( 0.000 2.249 3.631) 4.271 4.962 ( 0.000 -1.492 5.623) 5.817 5.214 ( 0.000 1.860 -13.911) 14.034 5.324 ( 0.000 -0.598 -4.188) 4.231 5.505 ( 0.000 6.490 -1.936) 6.772 5.697 ( 0.000 2.661 -6.539) 7.060 5.743 ( 0.000 2.437 -3.611) 4.356 5.868 ( 0.000 -7.988 -2.805) 8.466 6.198 ( 0.000 4.034 16.200) 16.695 6.519 ( 0.000 -9.810 1.518) 9.926 6.841 ( 0.000 -0.830 7.586) 7.632 6.904 ( 0.000 -2.800 10.199) 10.576 7.341 ( 0.000 6.975 -3.937) 8.009 7.481 ( 0.000 -1.659 -6.346) 6.559 7.598 ( 0.000 3.571 -2.504) 4.361 7.695 ( 0.000 -1.434 -0.569) 1.543 7.957 ( 0.000 -0.072 -5.118) 5.118 8.026 ( 0.000 -1.918 -1.034) 2.179 8.168 ( 0.000 -2.575 0.295) 2.592 8.178 ( 0.000 -2.154 2.716) 3.466 8.561 ( 0.000 0.640 2.705) 2.780 8.565 ( 0.000 2.240 5.060) 5.534 9.052 ( 0.000 2.412 2.394) 3.398 9.085 ( 0.000 2.949 -6.188) 6.855 9.266 ( 0.000 -2.097 -4.192) 4.687 9.502 ( 0.000 -9.205 -11.373) 14.631 9.514 ( 0.000 10.360 -0.501) 10.372 9.695 ( 0.000 3.649 -6.219) 7.211 9.905 ( 0.000 -7.166 -2.707) 7.660 9.918 ( 0.000 -6.570 -7.087) 9.664 10.080 ( 0.000 1.782 6.123) 6.377 10.227 ( 0.000 -2.967 -0.075) 2.968 10.289 ( 0.000 5.537 3.718) 6.669 10.348 ( 0.000 -0.136 -7.313) 7.315 10.372 ( 0.000 -0.862 -13.134) 13.162 10.469 ( 0.000 -4.588 -0.883) 4.672 10.808 ( 0.000 10.026 -3.540) 10.632 10.873 ( 0.000 3.369 -4.677) 5.764 11.027 ( 0.000 -0.186 -2.331) 2.339 11.040 ( 0.000 -1.395 1.201) 1.840 11.269 ( 0.000 -8.639 -4.234) 9.621 11.305 ( 0.000 -6.564 -2.922) 7.185 11.880 ( 0.000 0.788 5.103) 5.164 11.887 ( 0.000 -1.187 8.707) 8.788 12.242 ( 0.000 -0.097 7.719) 7.719 12.336 ( 0.000 -3.302 6.857) 7.611 12.498 ( 0.000 0.804 -5.075) 5.138 12.533 ( 0.000 3.362 -0.462) 3.394 12.590 ( 0.000 4.334 0.051) 4.334 12.836 ( 0.000 -3.681 0.440) 3.707 13.022 ( 0.000 5.185 -0.154) 5.187 13.202 ( 0.000 -4.313 -1.789) 4.669 13.246 ( 0.000 3.622 -2.359) 4.323 13.383 ( 0.000 -3.386 -5.139) 6.154 13.459 ( 0.000 4.201 -4.443) 6.115 13.484 ( 0.000 3.490 -1.047) 3.644 13.536 ( 0.000 1.789 -0.325) 1.819 13.620 ( 0.000 -4.020 -2.104) 4.537 13.720 ( 0.000 1.937 1.739) 2.603 13.791 ( 0.000 -0.550 -0.449) 0.711 14.138 ( 0.000 -3.040 5.812) 6.560 14.174 ( 0.000 -4.444 5.253) 6.881 14.789 ( 0.000 -0.409 -0.093) 0.420 14.834 ( 0.000 -2.268 -1.239) 2.584 15.367 ( 0.000 3.895 -3.439) 5.195 15.385 ( 0.000 4.653 -5.598) 7.279 15.786 ( 0.000 1.665 2.974) 3.408 15.864 ( 0.000 -2.007 0.856) 2.182 15.902 ( 0.000 1.620 -0.426) 1.676 15.945 ( 0.000 -0.314 -1.872) 1.898 15.981 ( 0.000 1.901 0.930) 2.116 16.044 ( 0.000 -0.959 -1.367) 1.670 16.148 ( 0.000 1.968 -0.723) 2.096 16.205 ( 0.000 -0.896 -2.329) 2.496 18.571 ( 0.000 1.818 4.380) 4.743 18.604 ( 0.000 0.345 1.798) 1.830 18.832 ( 0.000 6.133 -4.992) 7.907 19.072 ( 0.000 -5.952 -11.137) 12.628 20.095 ( 0.000 1.048 -2.307) 2.534 20.150 ( 0.000 -1.339 -4.157) 4.367 20.427 ( 0.000 -1.726 7.762) 7.951 20.435 ( 0.000 -1.245 3.710) 3.914 20.777 ( 0.000 2.795 6.351) 6.939 20.864 ( 0.000 -2.392 7.521) 7.893 22.076 ( 0.000 5.939 7.854) 9.847 22.384 ( 0.000 -9.705 -0.861) 9.743 24.168 ( 0.000 2.173 1.758) 2.795 24.261 ( 0.000 4.336 1.511) 4.591 24.276 ( 0.000 -3.366 -1.220) 3.580 24.408 ( 0.000 -2.588 -2.595) 3.665 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -12.037 12.268 17.737) 24.698 1.674 ( 2.754 13.180 4.175) 14.097 1.776 ( -6.692 0.275 6.995) 9.684 2.076 ( -9.252 -8.071 1.932) 12.429 2.127 ( 7.322 0.855 4.223) 8.495 2.235 ( 2.163 -3.112 6.596) 7.607 2.331 ( -0.422 5.996 11.535) 13.008 2.554 ( 1.867 4.113 6.805) 8.167 2.640 ( -5.603 2.827 4.748) 7.869 2.734 ( -1.537 -2.973 13.340) 13.753 2.828 ( -5.925 3.812 -0.277) 7.051 2.855 ( 0.740 -5.817 6.718) 8.918 2.936 ( 3.711 2.683 9.036) 10.130 3.057 ( 0.251 4.437 -0.056) 4.444 3.105 ( -1.872 1.770 -3.225) 4.128 3.186 ( 0.526 -4.095 -1.453) 4.377 3.246 ( -4.267 5.108 0.715) 6.694 3.397 ( 3.093 3.217 2.125) 4.943 3.498 ( -2.233 1.698 -1.431) 3.150 3.558 ( 4.692 -1.930 -0.996) 5.170 3.633 ( 0.405 -3.766 -1.012) 3.920 3.641 ( 3.156 1.441 1.801) 3.909 3.800 ( -3.951 -5.110 8.066) 10.333 3.817 ( -0.500 -0.270 6.949) 6.973 3.947 ( -3.876 -4.271 2.863) 6.439 4.087 ( 1.106 -4.142 6.957) 8.172 4.147 ( 5.419 6.325 5.619) 10.047 4.346 ( 6.181 -3.588 6.794) 9.861 4.428 ( 2.085 6.443 9.087) 11.333 4.616 ( 1.102 -0.869 9.739) 9.839 4.904 ( 2.203 2.337 3.983) 5.116 4.981 ( 1.777 -1.233 5.125) 5.563 5.198 ( -0.778 2.763 -10.356) 10.746 5.333 ( -0.759 -3.571 -7.399) 8.250 5.530 ( 2.827 7.826 -0.770) 8.357 5.657 ( -3.235 3.308 -1.899) 5.001 5.740 ( -0.440 1.668 -4.404) 4.730 5.861 ( -1.170 -4.927 -1.183) 5.200 6.234 ( 3.567 1.350 14.186) 14.690 6.517 ( -0.421 -10.135 1.976) 10.334 6.853 ( 1.323 0.515 6.309) 6.467 6.933 ( 2.775 -2.752 8.666) 9.506 7.314 ( -2.672 6.611 -2.472) 7.546 7.446 ( -3.260 -0.866 -7.159) 7.914 7.555 ( -5.469 3.238 -4.537) 7.809 7.669 ( -3.854 -2.255 0.542) 4.498 7.868 ( -4.445 -0.546 -3.583) 5.735 7.930 ( -5.706 -2.512 -2.519) 6.724 8.223 ( 4.286 -0.547 1.176) 4.478 8.275 ( 5.460 -2.768 0.960) 6.197 8.568 ( 0.357 2.394 4.469) 5.082 8.577 ( 1.649 0.317 2.451) 2.971 8.991 ( -5.098 3.621 -2.991) 6.932 9.084 ( -1.960 0.355 0.498) 2.053 9.227 ( -2.537 1.515 -5.448) 6.198 9.446 ( -2.009 0.907 -2.036) 3.001 9.557 ( 2.061 -3.347 -8.842) 9.677 9.709 ( 0.703 4.242 -5.955) 7.345 9.792 ( -8.598 -8.309 -5.062) 12.984 9.956 ( 1.915 -6.680 -5.478) 8.849 10.083 ( 0.103 1.239 4.689) 4.851 10.162 ( -4.637 -1.872 1.890) 5.346 10.323 ( 3.833 3.287 -2.141) 5.484 10.360 ( 0.998 0.982 -9.140) 9.246 10.445 ( 4.471 -1.833 -8.605) 9.868 10.520 ( 4.484 -3.139 2.544) 6.036 10.770 ( -2.666 6.113 -2.274) 7.046 10.865 ( -0.475 0.937 -3.751) 3.895 11.094 ( 8.023 2.995 -3.157) 9.127 11.195 ( 11.023 0.750 -0.931) 11.088 11.290 ( 2.534 -5.888 -4.601) 7.890 11.381 ( 6.734 -6.991 -3.126) 10.198 11.847 ( -1.734 1.753 8.449) 8.802 11.936 ( 3.187 -1.726 6.959) 7.846 12.195 ( -4.641 1.861 6.947) 8.559 12.308 ( -2.140 -3.144 6.824) 7.812 12.498 ( -0.213 1.664 -4.052) 4.385 12.529 ( -0.428 1.807 -0.403) 1.900 12.589 ( -0.143 4.271 -0.420) 4.294 12.823 ( -1.860 -3.576 0.429) 4.054 13.014 ( -0.239 5.309 -2.206) 5.754 13.184 ( -1.650 -1.947 -4.234) 4.944 13.270 ( 2.231 1.169 -1.123) 2.758 13.378 ( -0.372 -3.134 -4.382) 5.400 13.445 ( -1.048 3.359 -3.383) 4.881 13.475 ( -1.179 2.853 -0.537) 3.134 13.527 ( -0.653 1.280 -1.538) 2.105 13.595 ( -2.356 -2.642 -1.758) 3.953 13.690 ( -2.806 0.315 0.816) 2.939 13.738 ( -4.934 -2.017 -0.699) 5.376 14.148 ( 1.243 -0.775 6.116) 6.288 14.193 ( 1.273 -2.538 6.418) 7.018 14.787 ( -0.050 -0.489 -0.093) 0.500 14.828 ( -0.571 -2.108 -1.034) 2.416 15.310 ( -4.826 5.247 -2.854) 7.678 15.344 ( -3.959 3.237 -3.832) 6.390 15.775 ( -0.657 1.278 2.525) 2.905 15.833 ( -2.007 -1.284 1.202) 2.668 15.898 ( -0.493 0.404 -1.499) 1.629 15.917 ( -1.724 -0.187 -1.452) 2.262 16.014 ( 2.206 1.267 0.322) 2.564 16.055 ( 1.031 -0.729 -0.845) 1.519 16.177 ( 2.412 2.042 -0.533) 3.205 16.234 ( 1.947 -0.762 -1.972) 2.873 18.618 ( 4.863 2.902 2.038) 6.019 18.704 ( 7.615 -1.261 -2.813) 8.215 18.891 ( 5.653 3.445 -3.973) 7.721 19.104 ( 3.163 -6.185 -10.717) 12.772 20.090 ( -0.396 1.500 -2.919) 3.306 20.146 ( -0.421 -0.813 -4.014) 4.117 20.394 ( -1.848 -0.168 6.055) 6.333 20.433 ( -1.193 -1.883 4.875) 5.360 20.848 ( 7.433 2.721 6.614) 10.315 20.951 ( 8.323 -2.796 6.901) 11.168 21.994 ( -8.106 5.263 8.906) 13.142 22.266 ( -11.569 -8.268 1.819) 14.336 24.175 ( 0.704 2.181 1.352) 2.661 24.248 ( -0.741 3.029 0.455) 3.152 24.295 ( 1.446 -2.336 -0.495) 2.791 24.406 ( -0.372 -2.777 -2.290) 3.619 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -4.083 8.487 9.594) 13.444 1.577 ( -12.292 -2.211 1.335) 12.561 1.743 ( 3.145 1.329 1.823) 3.870 1.912 ( -6.858 -6.765 0.309) 9.638 2.187 ( -0.778 5.108 3.761) 6.391 2.316 ( 3.090 2.486 5.085) 6.449 2.336 ( -0.352 3.913 11.688) 12.330 2.476 ( -1.311 5.245 1.163) 5.530 2.593 ( 1.983 2.786 4.067) 5.314 2.708 ( -4.818 2.723 1.299) 5.685 2.795 ( 4.344 0.169 10.593) 11.451 2.890 ( -4.869 3.658 -0.138) 6.091 2.929 ( 3.888 -3.483 3.651) 6.370 2.989 ( -7.125 3.667 0.394) 8.023 3.155 ( -0.075 4.205 -4.332) 6.037 3.166 ( -0.716 -0.137 0.241) 0.768 3.220 ( 2.289 -4.180 1.199) 4.914 3.398 ( -6.536 -2.094 2.020) 7.155 3.492 ( 6.273 3.206 10.202) 12.398 3.554 ( -0.937 -0.163 5.150) 5.238 3.637 ( 0.333 -4.554 2.474) 5.193 3.734 ( 0.747 -3.603 2.455) 4.424 3.756 ( 1.159 3.290 2.085) 4.064 3.860 ( -4.567 1.849 3.772) 6.205 3.890 ( 7.410 -1.005 3.192) 8.130 4.085 ( -0.131 -2.915 7.763) 8.293 4.315 ( 7.721 2.014 8.033) 11.322 4.435 ( 2.915 2.358 2.955) 4.774 4.455 ( 1.603 -0.927 17.610) 17.708 4.628 ( -0.691 -1.650 7.634) 7.841 4.959 ( 3.159 2.480 4.327) 5.904 5.016 ( 1.262 0.193 5.627) 5.770 5.194 ( 0.407 1.547 -7.242) 7.416 5.287 ( -3.354 -3.621 -7.560) 9.028 5.593 ( 2.769 7.533 1.133) 8.105 5.609 ( -1.040 4.411 2.133) 5.009 5.729 ( -0.403 0.465 -1.307) 1.444 5.814 ( -3.562 -0.899 2.356) 4.364 6.324 ( 5.391 -2.947 10.234) 11.937 6.493 ( -2.280 -9.423 4.020) 10.495 6.896 ( 3.306 2.154 3.655) 5.378 6.991 ( 2.312 -2.478 6.031) 6.917 7.243 ( -4.167 6.305 1.034) 7.628 7.339 ( -8.420 3.482 -8.522) 12.475 7.444 ( -2.440 -1.456 -7.548) 8.066 7.552 ( -6.705 -3.819 -1.941) 7.957 7.838 ( 0.283 -0.670 -2.212) 2.329 7.871 ( -1.244 -1.672 -2.640) 3.363 8.295 ( 3.061 0.141 1.111) 3.259 8.346 ( 1.617 -1.715 -0.448) 2.400 8.587 ( 1.823 1.887 2.864) 3.884 8.621 ( 2.415 -0.428 2.926) 3.818 8.888 ( -4.398 4.167 -4.694) 7.664 8.992 ( -6.520 -0.525 0.907) 6.604 9.227 ( 2.713 3.392 -4.549) 6.290 9.430 ( -1.836 -0.733 0.411) 2.019 9.566 ( -1.784 -3.250 -10.878) 11.492 9.638 ( -3.364 -8.608 -1.900) 9.435 9.749 ( 2.826 1.756 -5.870) 6.747 9.951 ( -3.855 -5.750 -4.762) 8.403 10.073 ( -0.047 -1.964 0.548) 2.040 10.106 ( -1.185 -1.980 0.977) 2.506 10.392 ( 2.632 1.393 -7.193) 7.785 10.420 ( 5.008 0.684 -5.963) 7.817 10.492 ( 0.830 0.638 -4.461) 4.582 10.591 ( 0.748 2.219 4.146) 4.762 10.744 ( 1.274 0.026 -2.972) 3.233 10.855 ( -1.108 -1.951 -4.494) 5.023 11.254 ( 6.968 2.317 -4.655) 8.695 11.337 ( 2.060 -2.379 -4.861) 5.791 11.415 ( 10.347 1.060 -0.077) 10.402 11.529 ( 7.406 -4.589 -2.154) 8.975 11.814 ( -1.328 5.527 11.861) 13.153 11.969 ( -2.557 -0.568 11.128) 11.432 12.120 ( 0.192 2.851 1.523) 3.238 12.263 ( -2.679 -3.448 4.855) 6.529 12.495 ( 0.318 2.586 -2.937) 3.926 12.523 ( -0.253 3.090 -1.645) 3.510 12.585 ( 0.232 1.713 0.201) 1.740 12.744 ( -6.066 -1.527 0.601) 6.284 13.035 ( 2.221 2.887 -6.072) 7.081 13.141 ( -2.758 -0.695 -7.146) 7.692 13.329 ( 3.911 0.546 -1.048) 4.085 13.383 ( 1.056 -2.360 -2.384) 3.516 13.433 ( -0.791 0.730 -2.356) 2.590 13.444 ( -0.538 1.444 0.105) 1.545 13.511 ( -2.160 0.894 -2.102) 3.144 13.541 ( -2.489 -0.272 -1.824) 3.098 13.625 ( -3.710 -2.356 -0.295) 4.405 13.635 ( -4.571 -3.343 -0.925) 5.738 14.179 ( 1.599 1.759 7.376) 7.750 14.208 ( 0.246 0.655 7.801) 7.832 14.790 ( 0.374 -0.762 -0.133) 0.859 14.814 ( -0.726 -1.685 -0.617) 1.936 15.226 ( -3.123 4.314 -1.703) 5.591 15.258 ( -4.251 2.379 -2.498) 5.475 15.772 ( 0.374 0.716 1.939) 2.101 15.804 ( -1.084 -0.778 1.216) 1.805 15.888 ( -0.438 -0.326 -2.445) 2.505 15.891 ( -0.888 -0.405 -2.197) 2.404 16.052 ( 1.699 0.888 0.560) 1.997 16.075 ( 0.713 -0.294 0.067) 0.774 16.221 ( 1.917 1.497 -0.476) 2.479 16.256 ( 0.312 -0.244 -1.225) 1.288 18.728 ( 5.743 4.124 -1.346) 7.198 18.815 ( 2.948 2.339 -5.703) 6.833 19.019 ( 6.954 -4.489 -5.750) 10.078 19.165 ( 1.704 -7.805 -9.587) 12.479 20.090 ( 0.575 2.266 -3.994) 4.628 20.133 ( -0.956 0.418 -4.132) 4.261 20.370 ( -0.607 0.360 5.559) 5.604 20.400 ( -1.831 -0.965 4.803) 5.229 21.050 ( 12.625 2.744 5.329) 13.976 21.157 ( 11.868 -2.422 3.960) 12.744 21.792 ( -11.459 3.063 12.472) 17.211 21.980 ( -16.694 -5.892 7.636) 19.280 24.194 ( 1.162 2.388 0.564) 2.715 24.234 ( -0.748 3.145 0.051) 3.233 24.327 ( 1.820 -3.078 -0.696) 3.643 24.391 ( -1.125 -3.132 -1.664) 3.721 ======================= Grid point 115 (44/64) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -7.910 0.231 0.013) 7.913 1.364 ( 7.910 0.231 0.013) 7.913 1.809 ( -4.102 -4.253 1.919) 6.213 1.809 ( 4.102 -4.253 1.919) 6.213 2.200 ( -3.970 3.718 3.348) 6.387 2.200 ( 3.970 3.718 3.348) 6.387 2.489 ( -5.878 3.587 5.342) 8.715 2.489 ( 5.878 3.587 5.342) 8.715 2.620 ( -2.283 8.549 4.913) 10.121 2.620 ( 2.283 8.549 4.913) 10.121 2.821 ( -1.669 6.154 1.841) 6.637 2.821 ( 1.669 6.154 1.841) 6.637 2.959 ( -2.373 -3.873 4.764) 6.583 2.959 ( 2.373 -3.873 4.764) 6.583 3.144 ( -2.183 2.477 -7.085) 7.817 3.144 ( 2.183 2.477 -7.085) 7.817 3.277 ( -4.445 -8.612 4.315) 10.609 3.277 ( 4.445 -8.612 4.315) 10.609 3.555 ( -0.836 -0.689 3.681) 3.837 3.555 ( 0.836 -0.689 3.681) 3.837 3.697 ( -3.514 -1.685 6.436) 7.524 3.697 ( 3.514 -1.685 6.436) 7.524 3.789 ( -1.911 4.082 3.455) 5.679 3.789 ( 1.911 4.082 3.455) 5.679 4.034 ( -5.732 -0.460 5.468) 7.935 4.034 ( 5.732 -0.460 5.468) 7.935 4.408 ( -3.106 3.208 10.775) 11.663 4.408 ( 3.106 3.208 10.775) 11.663 4.564 ( -5.856 -3.166 7.966) 10.381 4.564 ( 5.856 -3.166 7.966) 10.381 5.011 ( -1.790 2.099 5.386) 6.051 5.011 ( 1.790 2.099 5.386) 6.051 5.223 ( -2.741 -1.508 -6.448) 7.167 5.223 ( 2.741 -1.508 -6.448) 7.167 5.614 ( -0.547 5.803 2.414) 6.308 5.614 ( 0.547 5.803 2.414) 6.308 5.746 ( -2.637 0.405 2.924) 3.958 5.746 ( 2.637 0.405 2.924) 3.958 6.425 ( -4.678 -6.643 6.880) 10.647 6.425 ( 4.678 -6.643 6.880) 10.647 6.975 ( -4.021 0.421 3.958) 5.658 6.975 ( 4.021 0.421 3.958) 5.658 7.215 ( -2.898 4.951 -3.273) 6.605 7.215 ( 2.898 4.951 -3.273) 6.605 7.455 ( -3.004 -3.313 -6.872) 8.199 7.455 ( 3.004 -3.313 -6.872) 8.199 7.852 ( -0.926 -1.147 -1.651) 2.214 7.852 ( 0.926 -1.147 -1.651) 2.214 8.341 ( -1.681 -0.079 -0.124) 1.688 8.341 ( 1.681 -0.079 -0.124) 1.688 8.631 ( -1.840 0.252 2.242) 2.911 8.631 ( 1.840 0.252 2.242) 2.911 8.879 ( -3.896 2.058 -2.245) 4.945 8.879 ( 3.896 2.058 -2.245) 4.945 9.323 ( -6.751 0.713 -3.050) 7.442 9.323 ( 6.751 0.713 -3.050) 7.442 9.587 ( -2.935 -5.062 -4.142) 7.169 9.587 ( 2.935 -5.062 -4.142) 7.169 9.841 ( -6.155 -3.048 -4.392) 8.153 9.841 ( 6.155 -3.048 -4.392) 8.153 10.087 ( -0.971 -2.792 -0.985) 3.116 10.087 ( 0.971 -2.792 -0.985) 3.116 10.446 ( -2.195 -1.058 -8.746) 9.079 10.446 ( 2.195 -1.058 -8.746) 9.079 10.542 ( -4.251 5.692 2.645) 7.581 10.542 ( 4.251 5.692 2.645) 7.581 10.808 ( -3.681 -3.513 -4.419) 6.740 10.808 ( 3.681 -3.513 -4.419) 6.740 11.339 ( -2.001 -0.334 -4.659) 5.081 11.339 ( 2.001 -0.334 -4.659) 5.081 11.572 ( -4.455 -1.079 0.370) 4.599 11.572 ( 4.455 -1.079 0.370) 4.599 11.854 ( -6.194 5.905 12.074) 14.799 11.854 ( 6.194 5.905 12.074) 14.799 12.193 ( -4.684 -1.496 1.240) 5.071 12.193 ( 4.684 -1.496 1.240) 5.071 12.512 ( -0.990 3.105 -2.203) 3.934 12.512 ( 0.990 3.105 -2.203) 3.934 12.628 ( -4.729 -0.011 0.671) 4.777 12.628 ( 4.729 -0.011 0.671) 4.777 13.085 ( -2.848 0.416 -7.882) 8.391 13.085 ( 2.848 0.416 -7.882) 8.391 13.401 ( -1.802 0.156 -1.753) 2.519 13.401 ( 1.802 0.156 -1.753) 2.519 13.426 ( -4.912 0.334 -1.112) 5.048 13.426 ( 4.912 0.334 -1.112) 5.048 13.489 ( -3.675 -0.811 -1.064) 3.911 13.489 ( 3.675 -0.811 -1.064) 3.911 13.587 ( -0.707 -2.977 -1.137) 3.264 13.587 ( 0.707 -2.977 -1.137) 3.264 14.203 ( -0.819 2.258 8.208) 8.552 14.203 ( 0.819 2.258 8.208) 8.552 14.801 ( -0.679 -1.172 -0.286) 1.384 14.801 ( 0.679 -1.172 -0.286) 1.384 15.204 ( -0.964 2.722 -1.843) 3.426 15.204 ( 0.964 2.722 -1.843) 3.426 15.785 ( -0.887 0.049 1.546) 1.783 15.785 ( 0.887 0.049 1.546) 1.783 15.883 ( -0.030 -0.552 -2.732) 2.788 15.883 ( 0.030 -0.552 -2.732) 2.788 16.076 ( -0.632 0.368 0.625) 0.962 16.076 ( 0.632 0.368 0.625) 0.962 16.249 ( -0.986 0.525 -0.732) 1.335 16.249 ( 0.986 0.525 -0.732) 1.335 18.814 ( -2.697 4.468 -4.049) 6.605 18.814 ( 2.697 4.468 -4.049) 6.605 19.137 ( -4.455 -8.183 -8.130) 12.365 19.137 ( 4.455 -8.183 -8.130) 12.365 20.110 ( -1.310 1.789 -4.434) 4.957 20.110 ( 1.310 1.789 -4.434) 4.957 20.372 ( -0.870 -0.036 5.104) 5.178 20.372 ( 0.870 -0.036 5.104) 5.178 21.266 ( -5.670 2.063 0.317) 6.042 21.266 ( 5.670 2.063 0.317) 6.042 21.704 ( -7.706 -3.143 15.369) 17.478 21.704 ( 7.706 -3.143 15.369) 17.478 24.216 ( -1.104 2.834 0.059) 3.042 24.216 ( 1.104 2.834 0.059) 3.042 24.363 ( -1.771 -3.337 -1.103) 3.936 24.363 ( 1.771 -3.337 -1.103) 3.936 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 -2.618 4.839) 5.502 1.832 ( 0.000 2.618 4.839) 5.502 1.943 ( 0.000 -8.397 12.161) 14.779 1.943 ( 0.000 8.397 12.161) 14.779 2.073 ( 0.000 -2.319 2.981) 3.777 2.073 ( 0.000 2.319 2.981) 3.777 2.519 ( 0.000 -7.036 8.886) 11.334 2.519 ( 0.000 7.036 8.886) 11.334 2.649 ( 0.000 -1.948 19.591) 19.688 2.649 ( 0.000 1.948 19.591) 19.688 2.961 ( 0.000 -5.834 -2.687) 6.423 2.961 ( 0.000 5.834 -2.687) 6.423 3.069 ( 0.000 -7.801 1.049) 7.871 3.069 ( 0.000 7.801 1.049) 7.871 3.105 ( 0.000 -9.045 -0.369) 9.053 3.105 ( 0.000 9.045 -0.369) 9.053 3.306 ( 0.000 -7.075 1.635) 7.262 3.306 ( 0.000 7.075 1.635) 7.262 3.451 ( 0.000 -0.346 -3.551) 3.567 3.451 ( 0.000 0.346 -3.551) 3.567 3.625 ( 0.000 -9.962 0.006) 9.962 3.625 ( 0.000 9.962 0.006) 9.962 3.850 ( 0.000 -2.515 11.439) 11.712 3.850 ( 0.000 2.515 11.439) 11.712 4.009 ( 0.000 -2.042 5.023) 5.422 4.009 ( 0.000 2.042 5.023) 5.422 4.170 ( 0.000 -2.361 3.613) 4.316 4.170 ( 0.000 2.361 3.613) 4.316 4.540 ( 0.000 -5.846 7.937) 9.857 4.540 ( 0.000 5.846 7.937) 9.857 4.926 ( 0.000 -2.265 4.358) 4.911 4.926 ( 0.000 2.265 4.358) 4.911 5.268 ( 0.000 -3.696 -10.485) 11.117 5.268 ( 0.000 3.696 -10.485) 11.117 5.673 ( 0.000 -8.734 0.037) 8.734 5.673 ( 0.000 8.734 0.037) 8.734 5.759 ( 0.000 -0.290 -6.108) 6.115 5.759 ( 0.000 0.290 -6.108) 6.115 6.328 ( 0.000 -9.384 8.625) 12.746 6.328 ( 0.000 9.384 8.625) 12.746 6.857 ( 0.000 -2.013 8.714) 8.944 6.857 ( 0.000 2.013 8.714) 8.944 7.439 ( 0.000 -3.414 -5.948) 6.858 7.439 ( 0.000 3.414 -5.948) 6.858 7.656 ( 0.000 -2.637 -2.046) 3.338 7.656 ( 0.000 2.637 -2.046) 3.338 7.975 ( 0.000 -2.324 -0.669) 2.419 7.975 ( 0.000 2.324 -0.669) 2.419 8.153 ( 0.000 -0.486 2.224) 2.277 8.153 ( 0.000 0.486 2.224) 2.277 8.581 ( 0.000 -0.561 3.673) 3.716 8.581 ( 0.000 0.561 3.673) 3.716 9.089 ( 0.000 -1.737 0.409) 1.785 9.089 ( 0.000 1.737 0.409) 1.785 9.332 ( 0.000 -8.010 -11.315) 13.863 9.332 ( 0.000 8.010 -11.315) 13.863 9.711 ( 0.000 -9.215 -4.056) 10.068 9.711 ( 0.000 9.215 -4.056) 10.068 9.801 ( 0.000 -4.291 -5.448) 6.935 9.801 ( 0.000 4.291 -5.448) 6.935 10.153 ( 0.000 -4.766 5.625) 7.373 10.153 ( 0.000 4.766 5.625) 7.373 10.352 ( 0.000 -0.362 -10.232) 10.238 10.352 ( 0.000 0.362 -10.232) 10.238 10.390 ( 0.000 -4.116 -0.570) 4.156 10.390 ( 0.000 4.116 -0.570) 4.156 10.909 ( 0.000 -0.224 -2.708) 2.718 10.909 ( 0.000 0.224 -2.708) 2.718 11.044 ( 0.000 -0.163 -2.615) 2.620 11.044 ( 0.000 0.163 -2.615) 2.620 11.191 ( 0.000 -2.674 -3.465) 4.377 11.191 ( 0.000 2.674 -3.465) 4.377 11.882 ( 0.000 -0.275 7.616) 7.621 11.882 ( 0.000 0.275 7.616) 7.621 12.271 ( 0.000 -2.975 10.528) 10.940 12.271 ( 0.000 2.975 10.528) 10.940 12.517 ( 0.000 -1.350 -3.158) 3.435 12.517 ( 0.000 1.350 -3.158) 3.435 12.733 ( 0.000 -7.163 -0.277) 7.169 12.733 ( 0.000 7.163 -0.277) 7.169 13.116 ( 0.000 -4.853 -0.921) 4.940 13.116 ( 0.000 4.853 -0.921) 4.940 13.318 ( 0.000 -3.722 -4.745) 6.031 13.318 ( 0.000 3.722 -4.745) 6.031 13.526 ( 0.000 -1.510 -3.833) 4.120 13.526 ( 0.000 1.510 -3.833) 4.120 13.554 ( 0.000 -2.369 -2.002) 3.101 13.554 ( 0.000 2.369 -2.002) 3.101 13.762 ( 0.000 -2.383 1.151) 2.647 13.762 ( 0.000 2.383 1.151) 2.647 14.120 ( 0.000 -1.184 6.392) 6.501 14.120 ( 0.000 1.184 6.392) 6.501 14.798 ( 0.000 -1.363 -1.240) 1.843 14.798 ( 0.000 1.363 -1.240) 1.843 15.415 ( 0.000 -0.859 -4.276) 4.362 15.415 ( 0.000 0.859 -4.276) 4.362 15.823 ( 0.000 -2.219 2.009) 2.993 15.823 ( 0.000 2.219 2.009) 2.993 15.930 ( 0.000 -1.245 -0.957) 1.570 15.930 ( 0.000 1.245 -0.957) 1.570 16.018 ( 0.000 -1.838 -0.476) 1.899 16.018 ( 0.000 1.838 -0.476) 1.899 16.181 ( 0.000 -1.575 -1.449) 2.140 16.181 ( 0.000 1.575 -1.449) 2.140 18.599 ( 0.000 -0.973 3.028) 3.180 18.599 ( 0.000 0.973 3.028) 3.180 18.952 ( 0.000 -6.597 -7.768) 10.192 18.952 ( 0.000 6.597 -7.768) 10.192 20.121 ( 0.000 -1.599 -4.056) 4.360 20.121 ( 0.000 1.599 -4.056) 4.360 20.417 ( 0.000 -0.449 7.054) 7.068 20.417 ( 0.000 0.449 7.054) 7.068 20.822 ( 0.000 -2.180 7.003) 7.334 20.822 ( 0.000 2.180 7.003) 7.334 22.211 ( 0.000 -8.465 3.404) 9.124 22.211 ( 0.000 8.465 3.404) 9.124 24.216 ( 0.000 -2.926 0.266) 2.938 24.216 ( 0.000 2.926 0.266) 2.938 24.343 ( 0.000 -4.213 -1.143) 4.365 24.343 ( 0.000 4.213 -1.143) 4.365 ======================= Grid point 121 (46/64) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -10.352 -7.466 9.279) 15.780 1.693 ( -10.352 7.466 9.279) 15.780 1.904 ( -6.352 -9.628 1.281) 11.605 1.904 ( -6.352 9.628 1.281) 11.605 2.164 ( 8.372 -3.150 6.664) 11.155 2.164 ( 8.372 3.150 6.664) 11.155 2.488 ( -1.099 -9.134 12.642) 15.635 2.488 ( -1.099 9.134 12.642) 15.635 2.724 ( 5.648 -5.169 13.616) 15.621 2.724 ( 5.648 5.169 13.616) 15.621 2.777 ( -11.918 -4.581 -3.825) 13.329 2.777 ( -11.918 4.581 -3.825) 13.329 3.075 ( -2.188 -6.699 -2.257) 7.400 3.075 ( -2.188 6.699 -2.257) 7.400 3.135 ( 2.877 -1.857 -0.588) 3.475 3.135 ( 2.877 1.857 -0.588) 3.475 3.385 ( 1.964 -9.684 0.123) 9.881 3.385 ( 1.964 9.684 0.123) 9.881 3.504 ( 3.046 -4.811 1.230) 5.826 3.504 ( 3.046 4.811 1.230) 5.826 3.616 ( 0.832 -7.677 3.695) 8.560 3.616 ( 0.832 7.677 3.695) 8.560 3.769 ( -2.867 -5.856 5.679) 8.646 3.769 ( -2.867 5.856 5.679) 8.646 3.985 ( -1.913 -6.264 5.811) 8.756 3.985 ( -1.913 6.264 5.811) 8.756 4.260 ( 6.219 -5.398 8.737) 12.006 4.260 ( 6.219 5.398 8.737) 12.006 4.552 ( 0.988 -5.667 7.895) 9.769 4.552 ( 0.988 5.667 7.895) 9.769 4.949 ( 2.326 -2.201 4.517) 5.537 4.949 ( 2.326 2.201 4.517) 5.537 5.258 ( -1.066 -3.807 -9.830) 10.596 5.258 ( -1.066 3.807 -9.830) 10.596 5.679 ( 0.212 -4.879 0.389) 4.899 5.679 ( 0.212 4.879 0.389) 4.899 5.756 ( -0.078 -3.039 -5.062) 5.904 5.756 ( -0.078 3.039 -5.062) 5.904 6.333 ( 0.486 -8.504 8.949) 12.355 6.333 ( 0.486 8.504 8.949) 12.355 6.883 ( 2.517 -2.409 7.309) 8.097 6.883 ( 2.517 2.409 7.309) 8.097 7.409 ( -2.817 -3.383 -5.652) 7.164 7.409 ( -2.817 3.383 -5.652) 7.164 7.617 ( -5.396 -3.107 -2.212) 6.608 7.617 ( -5.396 3.107 -2.212) 6.608 7.881 ( -4.852 -2.040 -1.421) 5.452 7.881 ( -4.852 2.040 -1.421) 5.452 8.232 ( 5.090 -1.469 2.132) 5.710 8.232 ( 5.090 1.469 2.132) 5.710 8.590 ( 0.933 -0.170 3.486) 3.613 8.590 ( 0.933 0.170 3.486) 3.613 9.050 ( -3.893 -2.841 -0.781) 4.883 9.050 ( -3.893 2.841 -0.781) 4.883 9.330 ( 0.007 -8.126 -8.590) 11.825 9.330 ( 0.007 8.126 -8.590) 11.825 9.640 ( -5.707 -7.676 -4.706) 10.660 9.640 ( -5.707 7.676 -4.706) 10.660 9.818 ( 1.203 -7.152 -5.910) 9.355 9.818 ( 1.203 7.152 -5.910) 9.355 10.120 ( -2.943 -2.395 4.370) 5.787 10.120 ( -2.943 2.395 4.370) 5.787 10.367 ( 2.017 -1.531 -10.704) 11.000 10.367 ( 2.017 1.531 -10.704) 11.000 10.455 ( 5.122 -3.344 1.240) 6.242 10.455 ( 5.122 3.344 1.240) 6.242 10.853 ( -3.120 -2.379 -2.210) 4.503 10.853 ( -3.120 2.379 -2.210) 4.503 11.178 ( 8.786 -4.452 -4.270) 10.736 11.178 ( 8.786 4.452 -4.270) 10.736 11.257 ( 7.473 -4.578 -2.801) 9.201 11.257 ( 7.473 4.578 -2.801) 9.201 11.892 ( 1.035 -2.732 8.653) 9.133 11.892 ( 1.035 2.732 8.653) 9.133 12.243 ( -2.607 -3.349 9.786) 10.667 12.243 ( -2.607 3.349 9.786) 10.667 12.517 ( 0.077 -1.142 -3.317) 3.508 12.517 ( 0.077 1.142 -3.317) 3.508 12.721 ( -1.377 -6.947 0.237) 7.086 12.721 ( -1.377 6.947 0.237) 7.086 13.113 ( -0.298 -4.953 -3.056) 5.827 13.113 ( -0.298 4.953 -3.056) 5.827 13.318 ( 0.240 -3.159 -4.056) 5.146 13.318 ( 0.240 3.159 -4.056) 5.146 13.501 ( -2.307 -1.578 -3.171) 4.227 13.501 ( -2.307 1.578 -3.171) 4.227 13.548 ( -0.587 -1.985 -2.235) 3.046 13.548 ( -0.587 1.985 -2.235) 3.046 13.704 ( -5.105 -1.412 0.722) 5.345 13.704 ( -5.105 1.412 0.722) 5.345 14.155 ( 2.873 -1.389 7.113) 7.796 14.155 ( 2.873 1.389 7.113) 7.796 14.794 ( -0.262 -1.228 -1.149) 1.702 14.794 ( -0.262 1.228 -1.149) 1.702 15.367 ( -4.481 -0.952 -3.415) 5.714 15.367 ( -4.481 0.952 -3.415) 5.714 15.804 ( -1.345 -1.689 1.820) 2.824 15.804 ( -1.345 1.689 1.820) 2.824 15.909 ( -1.474 -0.653 -1.343) 2.098 15.909 ( -1.474 0.653 -1.343) 2.098 16.037 ( 1.570 -1.176 -0.291) 1.983 16.037 ( 1.570 1.176 -0.291) 1.983 16.212 ( 2.244 -1.586 -1.171) 2.987 16.212 ( 2.244 1.586 -1.171) 2.987 18.669 ( 6.475 -2.418 -0.072) 6.912 18.669 ( 6.475 2.418 -0.072) 6.912 18.984 ( 2.761 -6.142 -6.884) 9.630 18.984 ( 2.761 6.142 -6.884) 9.630 20.121 ( 0.080 -1.683 -4.361) 4.675 20.121 ( 0.080 1.683 -4.361) 4.675 20.404 ( -1.151 -1.130 6.823) 7.011 20.404 ( -1.151 1.130 6.823) 7.011 20.899 ( 7.736 -2.707 6.886) 10.704 20.899 ( 7.736 2.707 6.886) 10.704 22.115 ( -9.576 -7.519 5.100) 13.200 22.115 ( -9.576 7.519 5.100) 13.200 24.223 ( 0.750 -2.885 -0.203) 2.988 24.223 ( 0.750 2.885 -0.203) 2.988 24.339 ( -0.433 -4.072 -0.882) 4.189 24.339 ( -0.433 4.072 -0.882) 4.189 ======================= Grid point 123 (47/64) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -9.985 -7.582 4.049) 13.175 1.482 ( -9.985 7.582 4.049) 13.175 1.794 ( -4.037 -4.764 0.688) 6.283 1.794 ( -4.037 4.764 0.688) 6.283 2.274 ( 0.355 -4.003 4.758) 6.228 2.274 ( 0.355 4.003 4.758) 6.228 2.474 ( 0.697 -6.818 10.766) 12.762 2.474 ( 0.697 6.818 10.766) 12.762 2.664 ( 1.501 -4.913 -0.135) 5.139 2.664 ( 1.501 4.913 -0.135) 5.139 2.844 ( 6.362 -4.573 8.224) 11.359 2.844 ( 6.362 4.573 8.224) 11.359 3.006 ( -4.193 -7.661 -2.792) 9.169 3.006 ( -4.193 7.661 -2.792) 9.169 3.157 ( -1.305 -4.663 0.035) 4.842 3.157 ( -1.305 4.663 0.035) 4.842 3.285 ( -8.834 -7.249 -4.495) 12.279 3.285 ( -8.834 7.249 -4.495) 12.279 3.534 ( 0.771 -1.649 4.632) 4.976 3.534 ( 0.771 1.649 4.632) 4.976 3.657 ( 2.344 -4.601 7.454) 9.068 3.657 ( 2.344 4.601 7.454) 9.068 3.814 ( 3.073 -3.260 -0.299) 4.490 3.814 ( 3.073 3.260 -0.299) 4.490 3.981 ( 2.531 -6.916 8.755) 11.440 3.981 ( 2.531 6.916 8.755) 11.440 4.367 ( 5.291 -3.488 13.071) 14.526 4.367 ( 5.291 3.488 13.071) 14.526 4.559 ( -0.927 -5.396 7.516) 9.299 4.559 ( -0.927 5.396 7.516) 9.299 5.004 ( 2.866 -1.710 5.405) 6.353 5.004 ( 2.866 1.710 5.405) 6.353 5.227 ( -1.892 -2.439 -8.313) 8.867 5.227 ( -1.892 2.439 -8.313) 8.867 5.683 ( 0.655 -3.047 0.869) 3.236 5.683 ( 0.655 3.047 0.869) 3.236 5.750 ( -0.926 -5.570 -1.786) 5.922 5.750 ( -0.926 5.570 -1.786) 5.922 6.346 ( 0.769 -5.315 9.473) 10.889 6.346 ( 0.769 5.315 9.473) 10.889 6.941 ( 3.025 -2.630 4.726) 6.197 6.941 ( 3.025 2.630 4.726) 6.197 7.340 ( -4.257 -3.452 -4.589) 7.148 7.340 ( -4.257 3.452 -4.589) 7.148 7.471 ( -6.987 -4.101 -4.382) 9.211 7.471 ( -6.987 4.101 -4.382) 9.211 7.842 ( -0.331 -1.097 -1.426) 1.829 7.842 ( -0.331 1.097 -1.426) 1.829 8.311 ( 2.925 -1.603 0.926) 3.461 8.311 ( 2.925 1.603 0.926) 3.461 8.615 ( 1.561 -0.802 3.373) 3.802 8.615 ( 1.561 0.802 3.373) 3.802 8.957 ( -4.856 -3.072 -3.133) 6.544 8.957 ( -4.856 3.072 -3.133) 6.544 9.334 ( 0.217 -7.454 -0.861) 7.507 9.334 ( 0.217 7.454 -0.861) 7.507 9.550 ( -2.937 -1.761 -8.106) 8.799 9.550 ( -2.937 1.761 -8.106) 8.799 9.824 ( -0.695 -6.151 -6.371) 8.883 9.824 ( -0.695 6.151 -6.371) 8.883 10.072 ( -1.616 -1.296 2.073) 2.931 10.072 ( -1.616 1.296 2.073) 2.931 10.412 ( 2.069 -1.150 -10.769) 11.026 10.412 ( 2.069 1.150 -10.769) 11.026 10.558 ( 5.234 -4.588 3.547) 7.812 10.558 ( 5.234 4.588 3.547) 7.812 10.797 ( -2.969 -4.019 -3.236) 5.953 10.797 ( -2.969 4.019 -3.236) 5.953 11.298 ( 4.030 -2.078 -5.099) 6.823 11.298 ( 4.030 2.078 -5.099) 6.823 11.451 ( 9.805 -3.172 -1.374) 10.396 11.451 ( 9.805 3.172 -1.374) 10.396 11.915 ( 0.831 -4.692 12.644) 13.512 11.915 ( 0.831 4.692 12.644) 13.512 12.190 ( -2.176 -4.148 5.004) 6.854 12.190 ( -2.176 4.148 5.004) 6.854 12.525 ( 0.911 -1.327 -3.287) 3.660 12.525 ( 0.911 1.327 -3.287) 3.660 12.675 ( -3.255 -5.353 1.286) 6.396 12.675 ( -3.255 5.353 1.286) 6.396 13.104 ( -0.692 -3.498 -7.665) 8.454 13.104 ( -0.692 3.498 -7.665) 8.454 13.340 ( 2.219 -1.515 -2.584) 3.728 13.340 ( 2.219 1.515 -2.584) 3.728 13.456 ( -1.713 -0.830 -1.729) 2.572 13.456 ( -1.713 0.830 -1.729) 2.572 13.530 ( -1.606 -0.945 -2.067) 2.783 13.530 ( -1.606 0.945 -2.067) 2.783 13.599 ( -4.841 -0.471 -0.149) 4.866 13.599 ( -4.841 0.471 -0.149) 4.866 14.205 ( 1.940 -0.936 8.417) 8.688 14.205 ( 1.940 0.936 8.417) 8.688 14.790 ( -0.120 -0.763 -0.958) 1.231 14.790 ( -0.120 0.763 -0.958) 1.231 15.275 ( -4.184 -0.810 -2.356) 4.869 15.275 ( -4.184 0.810 -2.356) 4.869 15.788 ( -0.312 -0.913 1.552) 1.828 15.788 ( -0.312 0.913 1.552) 1.828 15.886 ( -0.846 -0.130 -2.285) 2.440 15.886 ( -0.846 0.130 -2.285) 2.440 16.067 ( 1.249 -0.598 0.376) 1.435 16.067 ( 1.249 0.598 0.376) 1.435 16.245 ( 1.053 -0.996 -0.813) 1.662 16.245 ( 1.053 0.996 -0.813) 1.662 18.805 ( 6.523 -3.458 -5.036) 8.936 18.805 ( 6.523 3.458 -5.036) 8.936 19.029 ( 1.320 -5.439 -5.229) 7.659 19.029 ( 1.320 5.439 -5.229) 7.659 20.124 ( 0.210 -1.260 -5.012) 5.172 20.124 ( 0.210 1.260 -5.012) 5.172 20.382 ( -0.944 -0.896 6.581) 6.708 20.382 ( -0.944 0.896 6.581) 6.708 21.105 ( 12.762 -3.021 4.836) 13.978 21.105 ( 12.762 3.021 4.836) 13.978 21.872 ( -14.445 -5.348 9.735) 18.222 21.872 ( -14.445 5.348 9.735) 18.222 24.244 ( 1.244 -2.576 -1.297) 3.141 24.244 ( 1.244 2.576 -1.297) 3.141 24.326 ( -0.857 -3.330 -0.180) 3.443 24.326 ( -0.857 3.330 -0.180) 3.443 ======================= Grid point 125 (48/64) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 0.000 -1.434) 1.434 1.375 ( 0.000 0.000 -1.434) 1.434 1.755 ( 0.000 0.000 3.045) 3.045 1.755 ( 0.000 0.000 3.045) 3.045 2.245 ( 0.000 0.000 3.237) 3.237 2.245 ( 0.000 0.000 3.237) 3.237 2.504 ( 0.000 -0.000 7.885) 7.885 2.504 ( 0.000 0.000 7.885) 7.885 2.716 ( 0.000 0.000 3.934) 3.934 2.716 ( 0.000 0.000 3.934) 3.934 2.908 ( -0.000 0.000 0.167) 0.167 2.908 ( 0.000 0.000 0.167) 0.167 2.987 ( -0.000 0.000 1.896) 1.896 2.987 ( 0.000 0.000 1.896) 1.896 3.076 ( 0.000 -0.000 7.389) 7.389 3.076 ( 0.000 0.000 7.389) 7.389 3.207 ( 0.000 0.000 -10.041) 10.041 3.207 ( 0.000 0.000 -10.041) 10.041 3.540 ( -0.000 0.000 1.477) 1.477 3.540 ( 0.000 0.000 1.477) 1.477 3.678 ( 0.000 0.000 8.485) 8.485 3.678 ( 0.000 0.000 8.485) 8.485 3.841 ( -0.000 -0.000 1.401) 1.401 3.841 ( 0.000 0.000 1.401) 1.401 4.022 ( 0.000 0.000 7.432) 7.432 4.022 ( 0.000 0.000 7.432) 7.432 4.452 ( 0.000 0.000 18.285) 18.285 4.452 ( 0.000 0.000 18.285) 18.285 4.520 ( 0.000 0.000 3.874) 3.874 4.520 ( 0.000 0.000 3.874) 3.874 5.037 ( 0.000 0.000 6.362) 6.362 5.037 ( 0.000 0.000 6.362) 6.362 5.204 ( 0.000 0.000 -7.825) 7.825 5.204 ( 0.000 0.000 -7.825) 7.825 5.704 ( 0.000 -0.000 -0.484) 0.484 5.704 ( 0.000 0.000 -0.484) 0.484 5.725 ( 0.000 0.000 1.909) 1.909 5.725 ( 0.000 0.000 1.909) 1.909 6.356 ( 0.000 0.000 9.697) 9.697 6.356 ( 0.000 0.000 9.697) 9.697 6.976 ( 0.000 0.000 3.787) 3.787 6.976 ( 0.000 0.000 3.787) 3.787 7.281 ( 0.000 0.000 -4.301) 4.301 7.281 ( 0.000 0.000 -4.301) 4.301 7.405 ( 0.000 0.000 -6.035) 6.035 7.405 ( 0.000 0.000 -6.035) 6.035 7.841 ( 0.000 0.000 -0.890) 0.890 7.841 ( 0.000 0.000 -0.890) 0.890 8.340 ( 0.000 0.000 -0.093) 0.093 8.340 ( 0.000 0.000 -0.093) 0.093 8.635 ( 0.000 0.000 3.437) 3.437 8.635 ( 0.000 0.000 3.437) 3.437 8.902 ( 0.000 0.000 -4.066) 4.066 8.902 ( 0.000 0.000 -4.066) 4.066 9.335 ( 0.000 -0.000 3.771) 3.771 9.335 ( 0.000 0.000 3.771) 3.771 9.525 ( 0.000 0.000 -10.518) 10.518 9.525 ( -0.000 0.000 -10.518) 10.518 9.811 ( 0.000 0.000 -6.781) 6.781 9.811 ( 0.000 0.000 -6.781) 6.781 10.058 ( 0.000 0.000 1.204) 1.204 10.058 ( 0.000 0.000 1.204) 1.204 10.433 ( 0.000 0.000 -10.236) 10.236 10.433 ( 0.000 0.000 -10.236) 10.236 10.626 ( 0.000 0.000 5.318) 5.318 10.626 ( 0.000 0.000 5.318) 5.318 10.754 ( 0.000 0.000 -5.636) 5.636 10.754 ( 0.000 0.000 -5.636) 5.636 11.336 ( 0.000 0.000 -4.668) 4.668 11.336 ( 0.000 0.000 -4.668) 4.668 11.559 ( 0.000 0.000 -0.697) 0.697 11.559 ( 0.000 0.000 -0.697) 0.697 11.916 ( 0.000 0.000 16.248) 16.248 11.916 ( 0.000 0.000 16.248) 16.248 12.173 ( 0.000 0.000 0.017) 0.017 12.173 ( 0.000 0.000 0.017) 0.017 12.543 ( 0.000 0.000 -3.101) 3.101 12.543 ( 0.000 0.000 -3.101) 3.101 12.627 ( 0.000 -0.000 1.963) 1.963 12.627 ( -0.000 0.000 1.963) 1.963 13.095 ( 0.000 0.000 -9.578) 9.578 13.095 ( 0.000 0.000 -9.578) 9.578 13.374 ( -0.000 0.000 -2.961) 2.961 13.374 ( 0.000 0.000 -2.961) 2.961 13.462 ( 0.000 0.000 -0.759) 0.759 13.462 ( 0.000 0.000 -0.759) 0.759 13.474 ( 0.000 -0.000 -0.006) 0.006 13.474 ( 0.000 0.000 -0.006) 0.006 13.557 ( 0.000 0.000 -1.778) 1.778 13.557 ( 0.000 0.000 -1.778) 1.778 14.224 ( 0.000 0.000 9.043) 9.043 14.224 ( 0.000 0.000 9.043) 9.043 14.789 ( 0.000 0.000 -0.851) 0.851 14.789 ( 0.000 0.000 -0.851) 0.851 15.231 ( 0.000 0.000 -2.136) 2.136 15.231 ( 0.000 0.000 -2.136) 2.136 15.786 ( 0.000 0.000 1.548) 1.548 15.786 ( 0.000 0.000 1.548) 1.548 15.878 ( 0.000 0.000 -2.784) 2.784 15.878 ( 0.000 0.000 -2.784) 2.784 16.079 ( -0.000 0.000 0.745) 0.745 16.079 ( 0.000 0.000 0.745) 0.745 16.254 ( 0.000 0.000 -0.714) 0.714 16.254 ( 0.000 0.000 -0.714) 0.714 18.879 ( 0.000 -0.000 -7.606) 7.606 18.879 ( 0.000 0.000 -7.606) 7.606 19.035 ( 0.000 -0.000 -3.844) 3.844 19.035 ( -0.000 0.000 -3.844) 3.844 20.127 ( 0.000 0.000 -5.356) 5.356 20.127 ( 0.000 0.000 -5.356) 5.356 20.372 ( 0.000 0.000 6.536) 6.536 20.372 ( 0.000 0.000 6.536) 6.536 21.289 ( 0.000 0.000 -1.077) 1.077 21.289 ( 0.000 0.000 -1.077) 1.077 21.670 ( 0.000 0.000 16.694) 16.694 21.670 ( 0.000 0.000 16.694) 16.694 24.260 ( 0.000 -0.000 -2.333) 2.333 24.260 ( 0.000 0.000 -2.333) 2.333 24.314 ( 0.000 0.000 0.672) 0.672 24.314 ( 0.000 0.000 0.672) 0.672 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 0.000 23.837) 23.837 1.817 ( 0.000 0.000 9.443) 9.443 2.005 ( 0.000 0.000 19.311) 19.311 2.027 ( 0.000 0.000 -4.970) 4.970 2.144 ( 0.000 0.000 -10.231) 10.231 2.415 ( 0.000 0.000 -15.023) 15.023 2.477 ( 0.000 0.000 12.084) 12.084 2.588 ( 0.000 0.000 2.655) 2.655 2.653 ( 0.000 0.000 -5.055) 5.055 2.678 ( 0.000 0.000 15.679) 15.679 2.731 ( 0.000 0.000 -7.424) 7.424 2.861 ( 0.000 0.000 -2.519) 2.519 3.100 ( 0.000 0.000 9.633) 9.633 3.267 ( 0.000 0.000 3.272) 3.272 3.289 ( 0.000 0.000 -10.015) 10.015 3.313 ( 0.000 0.000 -1.172) 1.172 3.363 ( 0.000 0.000 2.424) 2.424 3.432 ( 0.000 0.000 -4.168) 4.168 3.522 ( 0.000 0.000 4.856) 4.856 3.527 ( 0.000 0.000 8.507) 8.507 3.532 ( 0.000 0.000 5.005) 5.005 3.547 ( 0.000 0.000 2.834) 2.834 3.671 ( 0.000 0.000 4.880) 4.880 3.895 ( 0.000 0.000 -9.819) 9.819 4.083 ( 0.000 0.000 1.938) 1.938 4.140 ( 0.000 0.000 -2.072) 2.072 4.289 ( 0.000 0.000 4.827) 4.827 4.352 ( 0.000 0.000 -1.276) 1.276 4.505 ( 0.000 0.000 13.075) 13.075 4.802 ( 0.000 0.000 -16.877) 16.877 4.891 ( 0.000 0.000 17.272) 17.272 4.928 ( 0.000 0.000 5.831) 5.831 5.026 ( 0.000 0.000 -2.390) 2.390 5.261 ( 0.000 0.000 -17.287) 17.287 5.384 ( 0.000 0.000 6.772) 6.772 5.503 ( 0.000 0.000 -5.525) 5.525 5.699 ( 0.000 0.000 12.046) 12.046 5.923 ( 0.000 0.000 -7.908) 7.908 6.619 ( 0.000 0.000 15.794) 15.794 6.748 ( 0.000 0.000 6.609) 6.609 6.871 ( 0.000 0.000 -8.794) 8.794 6.928 ( 0.000 0.000 -10.031) 10.031 7.364 ( 0.000 0.000 20.198) 20.198 7.583 ( 0.000 0.000 5.123) 5.123 7.583 ( 0.000 0.000 8.522) 8.522 7.634 ( 0.000 0.000 -5.241) 5.241 7.757 ( 0.000 0.000 -9.854) 9.854 7.817 ( 0.000 0.000 -11.430) 11.430 8.252 ( 0.000 0.000 -0.180) 0.180 8.256 ( 0.000 0.000 -0.525) 0.525 8.677 ( 0.000 0.000 11.524) 11.524 8.684 ( 0.000 0.000 -0.022) 0.022 8.768 ( 0.000 0.000 -9.707) 9.707 8.868 ( 0.000 0.000 -6.068) 6.068 9.442 ( 0.000 0.000 7.021) 7.021 9.459 ( 0.000 0.000 3.979) 3.979 9.537 ( 0.000 0.000 -2.872) 2.872 9.573 ( 0.000 0.000 -7.545) 7.545 9.969 ( 0.000 0.000 -0.036) 0.036 9.997 ( 0.000 0.000 0.460) 0.460 10.150 ( 0.000 0.000 4.240) 4.240 10.159 ( 0.000 0.000 -6.481) 6.481 10.176 ( 0.000 0.000 -5.855) 5.855 10.242 ( 0.000 0.000 -4.594) 4.594 10.374 ( 0.000 0.000 0.592) 0.592 10.466 ( 0.000 0.000 7.313) 7.313 10.484 ( 0.000 0.000 -9.825) 9.825 10.598 ( 0.000 0.000 -4.505) 4.505 11.089 ( 0.000 0.000 0.066) 0.066 11.112 ( 0.000 0.000 -1.609) 1.609 11.474 ( 0.000 0.000 -0.048) 0.048 11.476 ( 0.000 0.000 1.031) 1.031 12.006 ( 0.000 0.000 9.434) 9.434 12.124 ( 0.000 0.000 7.435) 7.435 12.140 ( 0.000 0.000 -2.214) 2.214 12.205 ( 0.000 0.000 -2.232) 2.232 12.262 ( 0.000 0.000 -8.170) 8.170 12.296 ( 0.000 0.000 -8.471) 8.471 12.756 ( 0.000 0.000 5.283) 5.283 12.834 ( 0.000 0.000 -2.291) 2.291 13.040 ( 0.000 0.000 7.905) 7.905 13.198 ( 0.000 0.000 -7.258) 7.258 13.294 ( 0.000 0.000 4.290) 4.290 13.367 ( 0.000 0.000 2.148) 2.148 13.384 ( 0.000 0.000 -4.416) 4.416 13.414 ( 0.000 0.000 -1.829) 1.829 13.493 ( 0.000 0.000 4.373) 4.373 13.605 ( 0.000 0.000 -5.820) 5.820 13.714 ( 0.000 0.000 1.989) 1.989 13.753 ( 0.000 0.000 -1.885) 1.885 14.346 ( 0.000 0.000 3.234) 3.234 14.397 ( 0.000 0.000 -1.988) 1.988 14.875 ( 0.000 0.000 1.660) 1.660 14.894 ( 0.000 0.000 -0.269) 0.269 15.087 ( 0.000 0.000 2.702) 2.702 15.153 ( 0.000 0.000 -3.791) 3.791 15.838 ( 0.000 0.000 3.630) 3.630 15.865 ( 0.000 0.000 0.645) 0.645 15.887 ( 0.000 0.000 -1.560) 1.560 15.895 ( 0.000 0.000 -1.805) 1.805 15.998 ( 0.000 0.000 2.570) 2.570 16.044 ( 0.000 0.000 -1.784) 1.784 16.093 ( 0.000 0.000 1.258) 1.258 16.144 ( 0.000 0.000 -3.434) 3.434 18.600 ( 0.000 0.000 1.173) 1.173 18.634 ( 0.000 0.000 -2.102) 2.102 18.689 ( 0.000 0.000 9.352) 9.352 18.914 ( 0.000 0.000 -12.503) 12.503 20.098 ( 0.000 0.000 1.423) 1.423 20.136 ( 0.000 0.000 -2.162) 2.162 20.454 ( 0.000 0.000 0.624) 0.624 20.490 ( 0.000 0.000 -2.517) 2.517 20.883 ( 0.000 0.000 8.805) 8.805 20.987 ( 0.000 0.000 -0.984) 0.984 22.233 ( 0.000 0.000 12.572) 12.572 22.465 ( 0.000 0.000 -9.881) 9.881 24.234 ( 0.000 0.000 3.989) 3.989 24.250 ( 0.000 0.000 5.376) 5.376 24.310 ( 0.000 0.000 -3.315) 3.315 24.353 ( 0.000 0.000 -4.618) 4.618 ======================= Grid point 148 (50/64) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.658 0.000 20.566) 20.889 1.730 ( -12.413 0.000 21.031) 24.421 1.891 ( -3.739 0.000 8.245) 9.054 2.052 ( 2.261 0.000 -3.883) 4.493 2.153 ( 1.401 0.000 -9.517) 9.620 2.177 ( -18.741 0.000 -14.116) 23.462 2.436 ( -3.154 0.000 7.583) 8.213 2.590 ( -5.673 0.000 -7.387) 9.314 2.590 ( -0.538 0.000 3.871) 3.908 2.733 ( -1.572 0.000 -6.088) 6.287 2.828 ( 3.742 0.000 8.492) 9.280 2.872 ( -6.020 0.000 2.642) 6.574 2.915 ( -5.298 0.000 6.495) 8.382 3.049 ( -6.218 0.000 -5.437) 8.260 3.218 ( -3.930 0.000 3.106) 5.010 3.254 ( -3.860 0.000 -0.726) 3.928 3.478 ( -0.323 0.000 9.648) 9.654 3.532 ( 4.027 0.000 3.134) 5.103 3.547 ( 3.178 0.000 6.156) 6.927 3.621 ( 8.753 0.000 -2.054) 8.991 3.680 ( 11.984 0.000 2.019) 12.153 3.685 ( 12.024 0.000 -0.275) 12.027 3.731 ( 5.366 0.000 5.395) 7.609 3.833 ( -2.999 0.000 -2.345) 3.807 4.101 ( -9.145 0.000 1.417) 9.254 4.145 ( -4.356 0.000 3.784) 5.770 4.167 ( -1.762 0.000 -5.016) 5.316 4.220 ( -1.107 0.000 -2.409) 2.651 4.665 ( 8.385 0.000 8.677) 12.066 4.820 ( -0.900 0.000 1.829) 2.039 4.953 ( 7.293 0.000 2.392) 7.676 4.962 ( 3.324 0.000 5.469) 6.400 5.044 ( 1.321 0.000 -1.257) 1.824 5.241 ( -1.432 0.000 -15.546) 15.612 5.425 ( 3.837 0.000 5.434) 6.652 5.520 ( 1.464 0.000 -4.525) 4.756 5.724 ( 2.581 0.000 12.232) 12.501 5.926 ( 0.215 0.000 -5.605) 5.610 6.635 ( 1.307 0.000 12.816) 12.883 6.762 ( 1.820 0.000 7.030) 7.261 6.839 ( -2.811 0.000 -7.956) 8.438 6.951 ( 2.033 0.000 -9.288) 9.508 7.300 ( -5.563 0.000 16.417) 17.334 7.442 ( -11.122 0.000 4.500) 11.998 7.598 ( -0.320 0.000 4.815) 4.826 7.646 ( -2.215 0.000 -1.837) 2.877 7.731 ( -1.875 0.000 -8.167) 8.379 7.754 ( -4.428 0.000 -10.605) 11.492 8.272 ( 2.154 0.000 0.044) 2.155 8.283 ( 2.299 0.000 -0.839) 2.448 8.621 ( -2.926 0.000 2.759) 4.022 8.709 ( -4.658 0.000 -8.024) 9.278 8.744 ( 3.636 0.000 7.577) 8.404 8.913 ( 3.672 0.000 -6.815) 7.741 9.334 ( -9.596 0.000 4.970) 10.807 9.426 ( -3.128 0.000 0.889) 3.252 9.560 ( 0.265 0.000 -4.167) 4.176 9.587 ( 3.106 0.000 -2.609) 4.056 9.950 ( -1.594 0.000 0.359) 1.634 10.015 ( 0.912 0.000 -3.911) 4.016 10.136 ( -0.962 0.000 -1.889) 2.120 10.142 ( -0.251 0.000 0.767) 0.807 10.203 ( 3.377 0.000 1.432) 3.668 10.308 ( 4.785 0.000 -5.456) 7.257 10.401 ( -2.268 0.000 -0.152) 2.273 10.419 ( 2.370 0.000 -3.333) 4.090 10.625 ( 8.847 0.000 -1.879) 9.045 10.663 ( 5.781 0.000 -2.687) 6.375 11.137 ( 5.320 0.000 -0.866) 5.390 11.141 ( 3.506 0.000 -1.283) 3.733 11.498 ( 2.068 0.000 1.561) 2.591 11.504 ( 2.663 0.000 -0.077) 2.664 11.971 ( -6.079 0.000 7.998) 10.046 12.053 ( -8.882 0.000 -1.057) 8.945 12.060 ( -0.447 0.000 1.965) 2.015 12.198 ( -1.185 0.000 -9.771) 9.843 12.297 ( 5.766 0.000 3.061) 6.528 12.408 ( 5.625 0.000 -6.014) 8.235 12.715 ( -3.926 0.000 5.217) 6.529 12.793 ( -4.060 0.000 -2.314) 4.673 13.023 ( -1.223 0.000 6.903) 7.011 13.168 ( -2.658 0.000 -6.692) 7.200 13.294 ( -0.027 0.000 3.816) 3.816 13.372 ( -1.212 0.000 -3.768) 3.958 13.384 ( 1.472 0.000 1.768) 2.301 13.427 ( 1.118 0.000 -2.205) 2.472 13.485 ( -0.750 0.000 3.603) 3.680 13.578 ( -2.636 0.000 -4.870) 5.537 13.721 ( 0.577 0.000 1.782) 1.873 13.753 ( -0.034 0.000 -1.428) 1.428 14.289 ( -4.990 0.000 2.620) 5.636 14.320 ( -6.420 0.000 -0.453) 6.436 14.874 ( -0.071 0.000 1.566) 1.567 14.891 ( -0.331 0.000 -0.093) 0.344 15.085 ( -0.215 0.000 2.305) 2.315 15.144 ( -1.033 0.000 -3.486) 3.636 15.821 ( -1.225 0.000 2.896) 3.144 15.853 ( -1.238 0.000 -0.138) 1.246 15.879 ( -0.978 0.000 -1.050) 1.435 15.880 ( -0.603 0.000 -1.135) 1.285 16.016 ( 1.580 0.000 1.972) 2.527 16.054 ( 0.907 0.000 -1.551) 1.797 16.129 ( 3.025 0.000 1.392) 3.330 16.177 ( 2.482 0.000 -3.077) 3.953 18.635 ( 2.401 0.000 2.995) 3.838 18.673 ( 3.098 0.000 -1.548) 3.463 18.804 ( 11.310 0.000 2.909) 11.678 18.959 ( 4.801 0.000 -10.960) 11.966 20.081 ( -1.696 0.000 1.071) 2.006 20.112 ( -2.375 0.000 -1.872) 3.024 20.425 ( -2.376 0.000 0.872) 2.531 20.459 ( -2.702 0.000 -2.143) 3.449 20.961 ( 7.487 0.000 8.125) 11.048 21.062 ( 7.072 0.000 -1.259) 7.183 22.164 ( -6.658 0.000 11.931) 13.663 22.370 ( -9.288 0.000 -7.771) 12.110 24.226 ( -0.677 0.000 2.813) 2.893 24.227 ( -1.403 0.000 3.271) 3.559 24.345 ( 2.560 0.000 -1.565) 3.000 24.368 ( 1.341 0.000 -3.255) 3.520 ======================= Grid point 149 (51/64) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -7.414 0.000 17.004) 18.550 1.735 ( -3.902 0.000 10.652) 11.344 1.812 ( -13.853 0.000 -11.726) 18.150 1.825 ( -4.211 0.000 1.444) 4.451 2.120 ( 4.794 0.000 1.101) 4.918 2.194 ( 2.539 0.000 -1.823) 3.126 2.421 ( 1.803 0.000 4.059) 4.441 2.516 ( -1.525 0.000 -4.897) 5.129 2.554 ( -3.719 0.000 4.374) 5.741 2.643 ( -11.712 0.000 2.254) 11.927 2.670 ( -5.481 0.000 -1.513) 5.686 2.671 ( -3.844 0.000 -3.900) 5.476 3.017 ( 1.329 0.000 1.256) 1.828 3.027 ( -1.006 0.000 -1.534) 1.835 3.149 ( -1.643 0.000 2.887) 3.322 3.196 ( -2.405 0.000 -1.033) 2.617 3.502 ( 2.628 0.000 8.797) 9.181 3.620 ( 3.013 0.000 -1.278) 3.273 3.645 ( 7.127 0.000 8.613) 11.179 3.651 ( -1.195 0.000 4.794) 4.941 3.802 ( 3.343 0.000 6.317) 7.148 3.854 ( 2.295 0.000 2.254) 3.217 3.877 ( -2.078 0.000 5.346) 5.736 3.905 ( 9.087 0.000 2.646) 9.464 3.957 ( 3.661 0.000 -0.936) 3.779 3.963 ( -7.040 0.000 0.274) 7.045 4.214 ( 1.025 0.000 -6.890) 6.966 4.229 ( -0.182 0.000 -6.970) 6.973 4.767 ( 2.469 0.000 6.908) 7.336 4.803 ( -0.593 0.000 6.034) 6.063 5.034 ( 3.294 0.000 4.338) 5.447 5.054 ( 1.286 0.000 0.078) 1.288 5.104 ( 5.794 0.000 1.422) 5.966 5.220 ( -0.933 0.000 -8.912) 8.961 5.508 ( 4.087 0.000 2.517) 4.800 5.550 ( 1.446 0.000 -2.440) 2.836 5.793 ( 4.244 0.000 11.174) 11.953 5.919 ( -1.252 0.000 0.351) 1.301 6.660 ( 1.518 0.000 6.652) 6.823 6.774 ( -3.781 0.000 -4.599) 5.954 6.833 ( 5.771 0.000 7.527) 9.485 7.004 ( 3.463 0.000 -7.331) 8.108 7.186 ( -5.674 0.000 7.931) 9.752 7.208 ( -12.298 0.000 4.696) 13.164 7.513 ( -6.444 0.000 -0.811) 6.495 7.526 ( -7.449 0.000 -1.340) 7.569 7.731 ( 1.044 0.000 -6.370) 6.455 7.734 ( 1.076 0.000 -6.661) 6.747 8.320 ( 2.193 0.000 0.840) 2.349 8.326 ( 1.775 0.000 0.188) 1.785 8.575 ( -1.536 0.000 -0.684) 1.681 8.622 ( -3.872 0.000 -5.753) 6.935 8.829 ( 5.349 0.000 8.239) 9.823 8.998 ( 4.848 0.000 -6.828) 8.374 9.143 ( -9.199 0.000 5.393) 10.664 9.303 ( -8.398 0.000 -8.174) 11.719 9.614 ( 4.185 0.000 0.442) 4.208 9.646 ( 2.767 0.000 -2.015) 3.423 9.936 ( 0.297 0.000 1.777) 1.802 10.007 ( -1.696 0.000 -4.407) 4.722 10.121 ( -0.980 0.000 0.718) 1.215 10.123 ( -1.349 0.000 1.828) 2.272 10.305 ( 5.920 0.000 0.314) 5.929 10.377 ( 1.943 0.000 0.137) 1.948 10.395 ( 1.593 0.000 -5.634) 5.855 10.439 ( -0.152 0.000 -4.890) 4.892 10.759 ( 3.254 0.000 -1.737) 3.689 10.760 ( 4.137 0.000 -2.620) 4.897 11.274 ( 10.427 0.000 0.444) 10.436 11.301 ( 11.233 0.000 -1.279) 11.305 11.540 ( 1.825 0.000 2.342) 2.969 11.552 ( 1.604 0.000 0.826) 1.804 11.799 ( -10.641 0.000 2.800) 11.004 11.846 ( -11.944 0.000 -1.420) 12.028 12.099 ( 3.181 0.000 0.972) 3.327 12.186 ( -0.650 0.000 -6.964) 6.994 12.397 ( 4.539 0.000 4.494) 6.387 12.484 ( 1.961 0.000 -2.047) 2.834 12.630 ( -3.860 0.000 3.650) 5.312 12.695 ( -5.355 0.000 -2.159) 5.774 13.017 ( 0.970 0.000 3.044) 3.194 13.112 ( -2.990 0.000 -5.229) 6.023 13.294 ( 0.126 0.000 2.412) 2.415 13.339 ( -2.038 0.000 -1.961) 2.828 13.416 ( 1.739 0.000 0.728) 1.885 13.448 ( 0.910 0.000 -2.196) 2.377 13.468 ( -0.915 0.000 1.375) 1.651 13.517 ( -3.149 0.000 -2.992) 4.344 13.732 ( 0.465 0.000 1.448) 1.520 13.750 ( -0.358 0.000 -0.376) 0.519 14.198 ( -3.475 0.000 2.004) 4.011 14.210 ( -4.105 0.000 0.852) 4.192 14.873 ( 0.044 0.000 1.254) 1.254 14.883 ( -0.412 0.000 0.322) 0.523 15.082 ( -0.007 0.000 1.122) 1.122 15.116 ( -1.630 0.000 -2.228) 2.761 15.805 ( -0.285 0.000 1.802) 1.825 15.827 ( -1.224 0.000 -0.301) 1.260 15.868 ( -0.264 0.000 -0.637) 0.690 15.870 ( -0.372 0.000 -0.874) 0.950 16.048 ( 1.482 0.000 1.147) 1.874 16.069 ( 0.499 0.000 -0.870) 1.003 16.185 ( 2.439 0.000 0.751) 2.552 16.214 ( 1.082 0.000 -1.908) 2.193 18.682 ( 2.294 0.000 2.234) 3.202 18.717 ( 1.100 0.000 -1.286) 1.692 19.038 ( 10.603 0.000 -3.518) 11.172 19.082 ( 6.638 0.000 -7.299) 9.866 20.040 ( -2.160 0.000 0.291) 2.180 20.055 ( -3.090 0.000 -1.064) 3.268 20.385 ( -1.422 0.000 0.564) 1.529 20.406 ( -2.344 0.000 -1.373) 2.717 21.139 ( 9.935 0.000 6.553) 11.902 21.220 ( 7.916 0.000 -1.119) 7.995 22.011 ( -7.658 0.000 9.866) 12.490 22.146 ( -12.523 0.000 -2.996) 12.876 24.208 ( -0.539 0.000 2.075) 2.144 24.213 ( -0.601 0.000 1.589) 1.699 24.388 ( 1.692 0.000 -1.041) 1.986 24.394 ( 1.172 0.000 -1.616) 1.997 ======================= Grid point 150 (52/64) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -8.395 0.000 3.139) 8.963 1.509 ( 8.395 0.000 3.139) 8.963 1.766 ( -1.086 0.000 -0.063) 1.088 1.766 ( 1.086 0.000 -0.063) 1.088 2.209 ( -2.464 0.000 1.618) 2.948 2.209 ( 2.464 0.000 1.618) 2.948 2.482 ( -4.050 0.000 2.512) 4.766 2.482 ( 4.050 0.000 2.512) 4.766 2.502 ( -0.710 0.000 2.697) 2.789 2.502 ( 0.710 0.000 2.697) 2.789 2.632 ( -0.076 0.000 -3.562) 3.563 2.632 ( 0.076 0.000 -3.562) 3.563 3.006 ( -0.185 0.000 -1.497) 1.508 3.006 ( 0.185 0.000 -1.497) 1.508 3.155 ( -1.537 0.000 0.924) 1.794 3.155 ( 1.537 0.000 0.924) 1.794 3.564 ( -3.728 0.000 2.539) 4.510 3.564 ( 3.728 0.000 2.539) 4.510 3.728 ( -3.381 0.000 4.442) 5.582 3.728 ( 3.381 0.000 4.442) 5.582 3.811 ( -3.857 0.000 7.227) 8.192 3.811 ( 3.857 0.000 7.227) 8.192 3.882 ( -3.177 0.000 5.504) 6.355 3.882 ( 3.177 0.000 5.504) 6.355 4.022 ( -1.590 0.000 -0.051) 1.590 4.022 ( 1.590 0.000 -0.051) 1.590 4.220 ( -0.115 0.000 -8.523) 8.524 4.220 ( 0.115 0.000 -8.523) 8.524 4.791 ( -0.696 0.000 5.172) 5.218 4.791 ( 0.696 0.000 5.172) 5.218 5.067 ( -0.120 0.000 3.605) 3.607 5.067 ( 0.120 0.000 3.605) 3.607 5.188 ( -2.781 0.000 -2.004) 3.428 5.188 ( 2.781 0.000 -2.004) 3.428 5.560 ( -0.962 0.000 -0.154) 0.974 5.560 ( 0.962 0.000 -0.154) 0.974 5.872 ( -3.559 0.000 7.069) 7.914 5.872 ( 3.559 0.000 7.069) 7.914 6.704 ( -3.114 0.000 1.038) 3.282 6.704 ( 3.114 0.000 1.038) 3.282 6.984 ( -9.625 0.000 4.885) 10.794 6.984 ( 9.625 0.000 4.885) 10.794 7.088 ( -4.389 0.000 -0.504) 4.418 7.088 ( 4.389 0.000 -0.504) 4.418 7.441 ( -0.243 0.000 -1.739) 1.756 7.441 ( 0.243 0.000 -1.739) 1.756 7.746 ( -0.083 0.000 -6.050) 6.051 7.746 ( 0.083 0.000 -6.050) 6.051 8.343 ( -0.120 0.000 1.229) 1.235 8.343 ( 0.120 0.000 1.229) 1.235 8.571 ( -1.234 0.000 -3.377) 3.596 8.571 ( 1.234 0.000 -3.377) 3.596 8.954 ( -7.483 0.000 7.230) 10.405 8.954 ( 7.483 0.000 7.230) 10.405 9.143 ( -7.444 0.000 -8.840) 11.557 9.143 ( 7.444 0.000 -8.840) 11.557 9.671 ( -0.822 0.000 -0.869) 1.196 9.671 ( 0.822 0.000 -0.869) 1.196 9.961 ( -2.363 0.000 -0.062) 2.363 9.961 ( 2.363 0.000 -0.062) 2.363 10.107 ( -0.027 0.000 1.461) 1.461 10.107 ( 0.027 0.000 1.461) 1.461 10.391 ( -2.336 0.000 -2.041) 3.102 10.391 ( 2.336 0.000 -2.041) 3.102 10.418 ( -1.778 0.000 -3.407) 3.843 10.418 ( 1.778 0.000 -3.407) 3.843 10.791 ( -0.284 0.000 -2.923) 2.936 10.791 ( 0.284 0.000 -2.923) 2.936 11.486 ( -4.509 0.000 3.463) 5.685 11.486 ( 4.509 0.000 3.463) 5.685 11.533 ( -2.495 0.000 0.259) 2.508 11.533 ( 2.495 0.000 0.259) 2.508 11.655 ( -2.581 0.000 -1.301) 2.890 11.655 ( 2.581 0.000 -1.301) 2.890 12.158 ( -2.467 0.000 -3.029) 3.906 12.158 ( 2.467 0.000 -3.029) 3.906 12.471 ( -2.925 0.000 3.844) 4.830 12.471 ( 2.925 0.000 3.844) 4.830 12.614 ( -2.409 0.000 -1.061) 2.632 12.614 ( 2.409 0.000 -1.061) 2.632 13.056 ( -2.688 0.000 -1.982) 3.339 13.056 ( 2.688 0.000 -1.982) 3.339 13.305 ( -1.187 0.000 0.270) 1.218 13.305 ( 1.187 0.000 0.270) 1.218 13.445 ( -1.209 0.000 -0.216) 1.228 13.445 ( 1.209 0.000 -0.216) 1.228 13.471 ( -1.498 0.000 -1.751) 2.304 13.471 ( 1.498 0.000 -1.751) 2.304 13.741 ( -0.501 0.000 0.809) 0.951 13.741 ( 0.501 0.000 0.809) 0.951 14.168 ( -0.327 0.000 1.506) 1.541 14.168 ( 0.327 0.000 1.506) 1.541 14.876 ( -0.257 0.000 0.806) 0.846 14.876 ( 0.257 0.000 0.806) 0.846 15.090 ( -0.921 0.000 -0.519) 1.057 15.090 ( 0.921 0.000 -0.519) 1.057 15.809 ( -0.586 0.000 0.651) 0.876 15.809 ( 0.586 0.000 0.651) 0.876 15.866 ( -0.047 0.000 -0.759) 0.761 15.866 ( 0.047 0.000 -0.759) 0.761 16.069 ( -0.589 0.000 0.145) 0.607 16.069 ( 0.589 0.000 0.145) 0.607 16.217 ( -0.764 0.000 -0.501) 0.914 16.217 ( 0.764 0.000 -0.501) 0.914 18.716 ( -1.074 0.000 0.093) 1.078 18.716 ( 1.074 0.000 0.093) 1.078 19.153 ( -0.688 0.000 -5.539) 5.581 19.153 ( 0.688 0.000 -5.539) 5.581 20.017 ( -0.341 0.000 -0.339) 0.481 20.017 ( 0.341 0.000 -0.339) 0.481 20.377 ( -0.592 0.000 -0.384) 0.705 20.377 ( 0.592 0.000 -0.384) 0.705 21.285 ( -2.997 0.000 2.599) 3.967 21.285 ( 2.997 0.000 2.599) 3.967 21.960 ( -4.365 0.000 3.856) 5.824 21.960 ( 4.365 0.000 3.856) 5.824 24.205 ( -0.171 0.000 1.450) 1.460 24.205 ( 0.171 0.000 1.450) 1.460 24.406 ( -0.101 0.000 -0.996) 1.001 24.406 ( 0.101 0.000 -0.996) 1.001 ======================= Grid point 154 (53/64) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 4.119 18.969) 19.411 1.836 ( 0.000 1.932 7.628) 7.868 2.028 ( 0.000 0.341 -3.763) 3.779 2.036 ( 0.000 2.715 15.348) 15.586 2.152 ( 0.000 0.032 -9.013) 9.014 2.403 ( 0.000 -1.100 -9.812) 9.874 2.502 ( 0.000 -2.144 9.244) 9.489 2.556 ( 0.000 6.615 8.940) 11.121 2.626 ( 0.000 -0.758 2.678) 2.783 2.763 ( 0.000 7.066 -9.155) 11.565 2.871 ( 0.000 9.254 3.268) 9.814 2.960 ( 0.000 7.188 -0.816) 7.235 3.056 ( 0.000 -2.281 4.945) 5.446 3.141 ( 0.000 -8.295 -4.593) 9.482 3.171 ( 0.000 -5.951 7.627) 9.674 3.263 ( 0.000 -5.142 -2.128) 5.565 3.412 ( 0.000 -6.010 4.072) 7.259 3.416 ( 0.000 -6.396 1.953) 6.688 3.463 ( 0.000 3.942 0.862) 4.035 3.513 ( 0.000 2.266 -4.241) 4.809 3.538 ( 0.000 -3.213 12.335) 12.747 3.708 ( 0.000 10.507 2.193) 10.734 3.728 ( 0.000 8.036 3.687) 8.842 3.857 ( 0.000 -2.093 -9.435) 9.665 4.125 ( 0.000 -2.814 1.279) 3.091 4.125 ( 0.000 3.213 0.215) 3.220 4.271 ( 0.000 -2.012 4.798) 5.203 4.337 ( 0.000 -1.215 -1.180) 1.694 4.533 ( 0.000 2.973 12.844) 13.184 4.827 ( 0.000 2.073 -16.252) 16.384 4.882 ( 0.000 -0.864 15.794) 15.817 4.940 ( 0.000 1.304 5.256) 5.415 5.024 ( 0.000 -0.448 -1.998) 2.047 5.227 ( 0.000 -3.404 -15.465) 15.835 5.419 ( 0.000 3.874 5.296) 6.562 5.522 ( 0.000 2.124 -5.206) 5.622 5.720 ( 0.000 1.615 8.852) 8.998 5.896 ( 0.000 -2.868 -6.428) 7.039 6.538 ( 0.000 -5.967 12.038) 13.435 6.659 ( 0.000 -6.810 -0.369) 6.820 6.933 ( 0.000 4.302 0.797) 4.375 7.019 ( 0.000 6.905 -7.257) 10.017 7.315 ( 0.000 -4.496 15.451) 16.092 7.465 ( 0.000 -7.275 -1.266) 7.385 7.605 ( 0.000 2.118 7.715) 8.001 7.702 ( 0.000 2.172 -0.916) 2.357 7.795 ( 0.000 3.509 -5.918) 6.880 7.863 ( 0.000 4.497 -9.719) 10.709 8.230 ( 0.000 -2.076 0.471) 2.129 8.241 ( 0.000 -1.435 -0.253) 1.457 8.629 ( 0.000 -3.069 1.199) 3.295 8.663 ( 0.000 -0.671 3.376) 3.442 8.828 ( 0.000 5.395 -2.528) 5.958 8.947 ( 0.000 5.643 -6.273) 8.437 9.380 ( 0.000 -6.741 3.172) 7.450 9.480 ( 0.000 2.918 5.921) 6.601 9.480 ( 0.000 -7.694 -6.770) 10.248 9.561 ( 0.000 1.237 -2.950) 3.199 9.927 ( 0.000 -4.424 -0.807) 4.497 9.964 ( 0.000 -4.008 -1.888) 4.430 10.144 ( 0.000 -0.950 -4.388) 4.489 10.152 ( 0.000 -2.014 -5.226) 5.600 10.170 ( 0.000 1.617 2.280) 2.795 10.259 ( 0.000 1.555 -4.189) 4.468 10.335 ( 0.000 -0.282 4.882) 4.890 10.458 ( 0.000 -1.520 -7.026) 7.189 10.594 ( 0.000 9.323 2.773) 9.727 10.679 ( 0.000 6.508 -4.569) 7.952 11.052 ( 0.000 -3.248 0.645) 3.311 11.085 ( 0.000 -2.568 -1.868) 3.175 11.383 ( 0.000 -8.382 -0.172) 8.384 11.397 ( 0.000 -7.187 -0.664) 7.218 12.006 ( 0.000 -0.032 8.452) 8.452 12.073 ( 0.000 -2.029 5.596) 5.953 12.268 ( 0.000 4.163 -6.044) 7.339 12.274 ( 0.000 6.325 1.104) 6.420 12.311 ( 0.000 9.226 -1.977) 9.436 12.325 ( 0.000 2.620 -7.918) 8.340 12.747 ( 0.000 -1.141 6.405) 6.506 12.847 ( 0.000 0.963 -3.152) 3.296 13.022 ( 0.000 -1.450 6.671) 6.827 13.170 ( 0.000 -2.649 -7.125) 7.602 13.268 ( 0.000 -2.107 3.626) 4.194 13.348 ( 0.000 -2.885 -3.812) 4.781 13.382 ( 0.000 1.144 1.102) 1.588 13.421 ( 0.000 0.804 -2.012) 2.167 13.524 ( 0.000 2.594 3.864) 4.654 13.613 ( 0.000 0.012 -4.341) 4.341 13.726 ( 0.000 0.990 1.584) 1.868 13.757 ( 0.000 0.504 -1.568) 1.647 14.296 ( 0.000 -4.325 2.662) 5.078 14.325 ( 0.000 -5.746 -0.118) 5.747 14.839 ( 0.000 -2.703 1.400) 3.044 14.862 ( 0.000 -2.760 -0.822) 2.880 15.191 ( 0.000 8.011 0.215) 8.014 15.219 ( 0.000 5.585 -2.440) 6.095 15.835 ( 0.000 -0.046 3.024) 3.024 15.879 ( 0.000 -0.517 -1.404) 1.496 15.880 ( 0.000 1.303 0.881) 1.573 15.906 ( 0.000 0.788 -1.432) 1.634 15.996 ( 0.000 -0.145 1.919) 1.925 16.030 ( 0.000 -1.053 -1.443) 1.787 16.112 ( 0.000 1.548 0.722) 1.708 16.150 ( 0.000 0.541 -2.871) 2.922 18.618 ( 0.000 1.722 1.742) 2.449 18.662 ( 0.000 2.543 -1.606) 3.008 18.691 ( 0.000 0.453 7.502) 7.515 18.898 ( 0.000 -1.606 -11.682) 11.792 20.086 ( 0.000 -1.084 0.879) 1.396 20.119 ( 0.000 -1.667 -2.233) 2.786 20.462 ( 0.000 0.718 0.842) 1.107 20.492 ( 0.000 0.159 -1.611) 1.619 20.894 ( 0.000 1.175 7.955) 8.041 20.983 ( 0.000 -0.420 -0.173) 0.454 22.230 ( 0.000 -0.155 10.989) 10.990 22.426 ( 0.000 -3.799 -7.942) 8.804 24.212 ( 0.000 -0.879 3.699) 3.802 24.277 ( 0.000 1.529 4.284) 4.548 24.283 ( 0.000 -2.099 -3.079) 3.727 24.362 ( 0.000 0.258 -3.935) 3.943 ======================= Grid point 155 (54/64) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -1.012 2.220 16.604) 16.782 1.751 ( -8.129 1.427 13.063) 15.452 1.908 ( -7.831 1.947 9.896) 12.769 2.091 ( 0.595 1.279 -3.075) 3.384 2.109 ( -3.918 -1.072 -9.946) 10.743 2.235 ( -5.477 4.438 -5.940) 9.218 2.479 ( -5.519 3.614 1.831) 6.847 2.510 ( -3.259 -2.564 4.165) 5.877 2.643 ( -1.693 2.701 0.781) 3.282 2.779 ( -0.339 5.544 -6.746) 8.738 2.838 ( -9.791 -3.075 1.241) 10.337 2.885 ( 0.828 4.710 5.679) 7.424 3.005 ( -0.406 7.561 2.588) 8.002 3.096 ( -6.606 0.310 1.672) 6.822 3.156 ( -5.050 -2.571 -0.030) 5.667 3.231 ( -2.144 -3.137 -0.504) 3.833 3.377 ( 2.868 -9.374 5.725) 11.352 3.477 ( 4.427 -3.237 6.249) 8.314 3.531 ( 10.120 -1.282 4.057) 10.978 3.589 ( 4.024 -0.279 -2.874) 4.953 3.634 ( 6.984 -0.650 2.017) 7.298 3.673 ( 0.307 -1.942 3.718) 4.206 3.852 ( 1.245 1.709 -0.588) 2.194 3.929 ( 8.604 10.118 3.717) 13.792 4.054 ( -5.005 -2.411 -2.582) 6.127 4.106 ( -7.131 -1.092 2.932) 7.787 4.211 ( 0.073 1.649 -0.216) 1.665 4.287 ( 0.205 5.337 -0.940) 5.423 4.663 ( 7.752 0.050 9.973) 12.632 4.841 ( -1.570 1.854 2.830) 3.729 4.937 ( 6.908 -1.495 0.316) 7.075 4.962 ( 2.871 0.039 3.929) 4.867 5.052 ( 2.064 0.661 -0.634) 2.258 5.212 ( -1.123 -2.975 -14.139) 14.493 5.456 ( 3.512 3.449 4.188) 6.463 5.535 ( 1.237 1.800 -3.999) 4.557 5.741 ( 2.117 1.198 9.344) 9.655 5.903 ( 0.462 -2.599 -4.664) 5.359 6.553 ( 1.360 -6.033 9.859) 11.638 6.662 ( 0.433 -7.139 -0.239) 7.156 6.917 ( -1.457 5.013 0.576) 5.253 7.037 ( 1.733 6.483 -6.102) 9.071 7.266 ( -4.356 -3.254 12.617) 13.739 7.429 ( -4.654 -4.465 1.439) 6.608 7.532 ( -7.767 0.435 4.964) 9.228 7.679 ( -2.416 1.003 -3.114) 4.067 7.746 ( -1.709 0.854 -7.049) 7.303 7.809 ( -5.387 4.181 -5.111) 8.522 8.254 ( 3.578 -0.718 0.671) 3.711 8.299 ( 3.387 0.557 -0.431) 3.460 8.601 ( -1.931 -0.988 0.577) 2.245 8.692 ( 2.349 -3.009 1.803) 4.222 8.762 ( -5.345 4.369 -2.626) 7.386 8.986 ( 3.015 5.571 -4.278) 7.644 9.267 ( -9.022 -6.400 1.432) 11.154 9.463 ( -3.306 2.684 0.696) 4.315 9.515 ( 2.173 -4.449 -1.199) 5.095 9.576 ( 2.594 -0.435 -3.130) 4.088 9.854 ( -3.621 -7.545 -2.140) 8.638 10.013 ( 2.282 -2.798 -0.138) 3.613 10.121 ( -2.465 -0.505 -2.937) 3.868 10.146 ( -1.014 -0.277 0.398) 1.124 10.207 ( 3.557 -0.390 -1.586) 3.914 10.280 ( 0.367 -3.606 -3.484) 5.027 10.328 ( 4.548 2.033 -3.043) 5.838 10.565 ( 0.540 4.368 2.412) 5.019 10.627 ( 7.938 4.005 -2.610) 9.266 10.719 ( 3.003 4.273 -2.896) 5.972 11.059 ( 2.443 -3.946 -1.797) 4.976 11.181 ( 8.824 0.664 -0.262) 8.853 11.382 ( 0.541 -8.561 0.061) 8.579 11.455 ( 4.737 -5.896 -0.858) 7.612 11.983 ( -2.975 0.816 8.049) 8.620 12.074 ( 0.625 0.774 4.185) 4.301 12.157 ( -7.895 8.446 -0.457) 11.571 12.232 ( -1.560 4.174 -8.045) 9.196 12.351 ( 3.768 4.206 0.295) 5.655 12.437 ( 5.309 3.753 -3.865) 7.564 12.707 ( -3.967 -1.047 6.181) 7.419 12.809 ( -3.979 1.356 -3.035) 5.185 12.998 ( -1.779 -2.128 5.142) 5.842 13.132 ( -3.213 -3.303 -5.783) 7.394 13.281 ( 0.920 -1.173 1.605) 2.190 13.359 ( 0.843 -1.834 -2.819) 3.468 13.391 ( 1.075 0.838 1.404) 1.957 13.431 ( 0.849 0.445 -1.929) 2.154 13.502 ( -2.035 1.710 2.836) 3.887 13.581 ( -3.136 -0.115 -3.478) 4.684 13.709 ( -1.539 -0.621 0.932) 1.904 13.745 ( -1.367 -1.236 -0.950) 2.073 14.254 ( -2.680 -2.272 1.769) 3.934 14.308 ( -2.173 -1.331 1.263) 2.844 14.838 ( 0.008 -2.863 1.242) 3.120 14.859 ( -0.249 -2.687 -0.542) 2.752 15.161 ( -2.243 6.304 0.329) 6.699 15.204 ( -1.827 5.081 -2.108) 5.797 15.818 ( -1.205 -0.144 2.375) 2.667 15.853 ( -1.716 -0.268 -0.335) 1.769 15.876 ( -0.630 0.322 -0.238) 0.747 15.889 ( -1.278 0.502 -1.081) 1.748 16.018 ( 1.827 0.203 1.403) 2.312 16.047 ( 1.417 -0.585 -1.092) 1.882 16.143 ( 2.646 1.273 0.741) 3.028 16.184 ( 2.507 0.597 -2.506) 3.595 18.632 ( 2.620 0.143 0.990) 2.804 18.687 ( 1.865 0.959 1.028) 2.335 18.813 ( 9.483 0.946 1.561) 9.657 18.949 ( 5.481 -1.187 -9.858) 11.342 20.064 ( -1.962 -1.194 0.134) 2.301 20.108 ( -1.180 -0.714 -1.538) 2.065 20.434 ( -2.190 0.879 0.911) 2.530 20.468 ( -2.218 0.850 -1.270) 2.693 20.969 ( 7.232 0.817 7.486) 10.441 21.056 ( 6.990 -0.563 -0.556) 7.035 22.162 ( -6.612 -0.089 10.604) 12.497 22.337 ( -8.738 -3.220 -6.143) 11.156 24.205 ( -0.505 -0.704 2.440) 2.589 24.251 ( -1.490 0.910 2.185) 2.797 24.314 ( 2.097 -1.947 -1.394) 3.183 24.378 ( 1.239 0.037 -2.421) 2.720 ======================= Grid point 156 (55/64) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -9.922 -0.398 12.444) 15.920 1.689 ( -13.884 -3.813 2.995) 14.707 1.786 ( 0.576 0.692 3.216) 3.340 1.897 ( -6.766 1.488 -6.126) 9.248 2.189 ( 3.758 6.186 1.959) 7.498 2.248 ( 1.679 6.304 2.484) 6.981 2.409 ( -0.399 -0.311 0.526) 0.729 2.456 ( -0.544 -3.832 -2.704) 4.722 2.597 ( -2.610 4.167 3.921) 6.289 2.654 ( -6.832 4.479 2.182) 8.456 2.730 ( -3.267 7.251 -3.749) 8.792 2.828 ( -9.398 8.537 0.214) 12.699 2.958 ( 2.172 -3.423 -2.172) 4.599 3.015 ( -3.275 -2.445 0.246) 4.094 3.132 ( -0.230 -1.954 2.237) 2.979 3.183 ( -2.914 -1.943 0.320) 3.517 3.440 ( 3.043 -6.251 5.208) 8.687 3.531 ( 0.072 -7.537 -0.534) 7.556 3.640 ( 2.337 -0.990 5.143) 5.735 3.681 ( 5.377 2.654 6.689) 8.983 3.778 ( 6.841 -3.765 1.614) 7.974 3.787 ( 7.475 -2.399 1.970) 8.094 3.852 ( -6.527 -2.254 6.178) 9.266 3.897 ( 1.102 2.713 4.964) 5.763 3.945 ( -2.933 -0.916 -1.337) 3.351 4.118 ( 0.760 6.474 -0.999) 6.594 4.267 ( 4.625 7.909 -1.869) 9.350 4.309 ( 0.955 6.419 -4.272) 7.770 4.761 ( 2.502 -0.538 8.363) 8.745 4.814 ( -1.129 0.838 5.906) 6.071 5.018 ( 3.186 -1.184 3.033) 4.555 5.063 ( 2.228 0.257 -1.990) 2.998 5.097 ( 4.616 -0.361 2.498) 5.261 5.200 ( -0.201 -1.889 -7.916) 8.141 5.532 ( 3.616 2.632 1.603) 4.751 5.563 ( 1.445 1.503 -1.550) 2.598 5.797 ( 3.502 0.078 8.979) 9.638 5.901 ( -0.930 -2.040 0.184) 2.250 6.585 ( 2.116 -5.502 5.015) 7.739 6.673 ( -0.047 -7.396 0.927) 7.454 6.901 ( 1.095 4.848 1.688) 5.249 7.075 ( 1.392 4.749 -5.169) 7.156 7.181 ( -3.800 -0.999 6.900) 7.941 7.260 ( -10.598 4.973 6.374) 13.330 7.405 ( -4.081 -6.904 -2.283) 8.338 7.549 ( -9.510 -0.206 -2.742) 9.899 7.744 ( 0.919 0.966 -5.819) 5.970 7.764 ( 0.083 2.190 -4.225) 4.759 8.326 ( 3.070 1.037 1.975) 3.795 8.349 ( 1.628 1.691 0.563) 2.414 8.573 ( -0.648 0.299 -1.232) 1.424 8.651 ( -4.802 2.797 -5.710) 7.968 8.767 ( 5.050 -4.558 4.294) 8.045 9.045 ( -0.091 2.397 -0.681) 2.493 9.090 ( -5.223 -3.544 -1.507) 6.490 9.337 ( -8.425 2.828 -5.289) 10.341 9.580 ( 4.182 -2.904 1.798) 5.399 9.643 ( 3.030 -0.418 -2.627) 4.032 9.829 ( 1.326 -9.560 0.355) 9.658 10.003 ( -3.527 -2.645 -0.879) 4.495 10.091 ( -0.620 -2.170 -0.947) 2.448 10.111 ( -1.850 -1.267 -0.779) 2.374 10.290 ( 4.714 -1.847 -1.896) 5.407 10.336 ( 3.780 -3.075 -4.614) 6.711 10.405 ( 3.187 2.847 -1.222) 4.445 10.537 ( -2.528 7.290 0.910) 7.770 10.744 ( 2.831 -1.676 -1.219) 3.508 10.765 ( 1.474 0.586 -3.324) 3.684 11.170 ( 8.505 -3.589 -2.265) 9.505 11.381 ( 0.513 -6.663 -0.409) 6.695 11.405 ( 11.474 1.786 1.619) 11.724 11.559 ( 5.579 -3.334 -1.321) 6.632 11.887 ( -6.489 7.364 6.019) 11.513 11.981 ( -9.429 11.333 1.197) 14.791 12.120 ( 2.954 1.917 1.717) 3.918 12.212 ( -0.900 2.911 -6.864) 7.510 12.422 ( 3.565 2.037 2.826) 4.984 12.509 ( 1.956 2.837 -0.894) 3.560 12.617 ( -4.228 -1.435 4.150) 6.096 12.706 ( -5.932 1.100 -2.580) 6.562 12.980 ( 0.242 -3.232 0.978) 3.385 13.066 ( -3.431 -4.077 -4.730) 7.125 13.304 ( 1.743 0.847 0.208) 1.949 13.371 ( 0.181 1.482 -0.572) 1.599 13.418 ( 1.140 0.195 0.571) 1.290 13.444 ( -0.031 -0.624 -0.711) 0.946 13.464 ( -1.069 0.488 0.136) 1.183 13.508 ( -3.610 -0.828 -2.349) 4.386 13.678 ( -1.380 -4.136 0.247) 4.368 13.705 ( -2.442 -4.391 -0.116) 5.026 14.224 ( -0.427 2.786 1.910) 3.405 14.261 ( -2.174 3.813 1.907) 4.785 14.840 ( 0.184 -2.895 0.893) 3.035 14.853 ( -0.389 -2.619 -0.029) 2.648 15.125 ( -1.140 3.915 0.156) 4.080 15.158 ( -2.488 3.549 -1.437) 4.566 15.804 ( -0.166 -0.103 1.466) 1.479 15.825 ( -1.101 -0.165 -0.021) 1.113 15.865 ( -0.471 -0.269 -0.579) 0.793 15.868 ( -0.779 -0.187 -0.787) 1.123 16.053 ( 1.596 0.520 0.855) 1.884 16.071 ( 0.844 0.145 -0.558) 1.022 16.193 ( 2.196 0.752 0.327) 2.344 16.220 ( 1.003 0.543 -1.560) 1.932 18.689 ( 2.700 0.802 1.288) 3.097 18.723 ( 1.305 0.536 -1.317) 1.930 18.987 ( 8.320 -3.496 -3.460) 9.665 19.079 ( 5.762 -1.605 -5.792) 8.326 20.028 ( -1.197 -0.141 -0.457) 1.289 20.073 ( -2.297 0.722 -0.999) 2.607 20.399 ( -1.204 1.348 0.650) 1.920 20.422 ( -2.196 1.505 -0.664) 2.744 21.143 ( 9.854 0.516 6.006) 11.552 21.216 ( 8.129 -0.482 -0.791) 8.182 22.008 ( -7.902 -0.235 9.273) 12.186 22.125 ( -11.994 -2.151 -1.876) 12.328 24.200 ( 0.061 -0.271 1.339) 1.367 24.225 ( -1.164 0.706 1.389) 1.945 24.356 ( 2.090 -2.233 -0.998) 3.217 24.396 ( 0.344 -0.802 -1.201) 1.484 ======================= Grid point 157 (56/64) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -6.544 -4.143 2.655) 8.187 1.454 ( 6.544 -4.143 2.655) 8.187 1.815 ( -2.407 2.942 -0.588) 3.846 1.815 ( 2.407 2.942 -0.588) 3.846 2.243 ( -1.979 2.677 3.328) 4.708 2.243 ( 1.979 2.677 3.328) 4.708 2.446 ( -2.424 1.780 1.202) 3.239 2.446 ( 2.424 1.780 1.202) 3.239 2.580 ( -1.773 3.214 1.361) 3.914 2.580 ( 1.773 3.214 1.361) 3.914 2.705 ( -2.231 8.201 -1.165) 8.579 2.705 ( 2.231 8.201 -1.165) 8.579 2.983 ( -0.663 -2.259 -3.094) 3.888 2.983 ( 0.663 -2.259 -3.094) 3.888 3.134 ( -1.413 -2.328 2.201) 3.501 3.134 ( 1.413 -2.328 2.201) 3.501 3.493 ( -2.771 -6.898 1.122) 7.518 3.493 ( 2.771 -6.898 1.122) 7.518 3.705 ( -3.913 -2.552 4.993) 6.838 3.705 ( 3.913 -2.552 4.993) 6.838 3.817 ( -3.337 0.885 4.829) 5.936 3.817 ( 3.337 0.885 4.829) 5.936 3.855 ( -2.125 -1.815 3.976) 4.860 3.855 ( 2.125 -1.815 3.976) 4.860 4.054 ( -6.517 2.331 -0.627) 6.950 4.054 ( 6.517 2.331 -0.627) 6.950 4.319 ( -0.430 9.313 -3.318) 9.896 4.319 ( 0.430 9.313 -3.318) 9.896 4.791 ( -1.256 -0.246 5.882) 6.020 4.791 ( 1.256 -0.246 5.882) 6.020 5.063 ( -1.342 -0.274 2.449) 2.806 5.063 ( 1.342 -0.274 2.449) 2.806 5.178 ( -2.640 -1.001 -1.628) 3.258 5.178 ( 2.640 -1.001 -1.628) 3.258 5.575 ( -0.667 1.800 -0.051) 1.921 5.575 ( 0.667 1.800 -0.051) 1.921 5.863 ( -2.971 -1.185 5.760) 6.588 5.863 ( 2.971 -1.185 5.760) 6.588 6.638 ( -3.029 -5.393 2.256) 6.584 6.638 ( 3.029 -5.393 2.256) 6.584 6.995 ( -7.935 1.253 0.933) 8.087 6.995 ( 7.935 1.253 0.933) 8.087 7.154 ( -1.353 4.653 3.105) 5.755 7.154 ( 1.353 4.653 3.105) 5.755 7.402 ( -4.352 -3.118 -2.847) 6.064 7.402 ( 4.352 -3.118 -2.847) 6.064 7.762 ( -0.611 1.252 -5.029) 5.219 7.762 ( 0.611 1.252 -5.029) 5.219 8.360 ( -0.507 1.562 2.122) 2.684 8.360 ( 0.507 1.562 2.122) 2.684 8.585 ( -1.995 1.501 -3.526) 4.320 8.585 ( 1.995 1.501 -3.526) 4.320 8.895 ( -8.096 -4.973 2.669) 9.869 8.895 ( 8.096 -4.973 2.669) 9.869 9.178 ( -7.371 3.086 -5.218) 9.544 9.178 ( 7.371 3.086 -5.218) 9.544 9.650 ( -2.312 -2.171 -0.146) 3.174 9.650 ( 2.312 -2.171 -0.146) 3.174 9.906 ( -5.671 -5.998 0.225) 8.258 9.906 ( 5.671 -5.998 0.225) 8.258 10.088 ( -0.443 -1.761 -1.415) 2.302 10.088 ( 0.443 -1.761 -1.415) 2.302 10.361 ( -1.825 -3.243 -3.550) 5.143 10.361 ( 1.825 -3.243 -3.550) 5.143 10.472 ( -3.964 5.639 0.681) 6.926 10.472 ( 3.964 5.639 0.681) 6.926 10.771 ( -0.582 -1.697 -2.971) 3.471 10.771 ( 0.582 -1.697 -2.971) 3.471 11.322 ( -5.826 -6.332 -0.873) 8.649 11.322 ( 5.826 -6.332 -0.873) 8.649 11.608 ( -4.945 -1.707 0.245) 5.237 11.608 ( 4.945 -1.707 0.245) 5.237 11.818 ( -4.098 15.157 3.633) 16.116 11.818 ( 4.098 15.157 3.633) 16.116 12.180 ( -2.630 2.091 -2.706) 4.314 12.180 ( 2.630 2.091 -2.706) 4.314 12.489 ( -3.257 1.622 4.039) 5.436 12.489 ( 3.257 1.622 4.039) 5.436 12.609 ( -3.397 -0.305 -1.623) 3.777 12.609 ( 3.397 -0.305 -1.623) 3.777 13.007 ( -2.412 -4.157 -2.904) 5.616 13.007 ( 2.412 -4.157 -2.904) 5.616 13.349 ( -2.469 3.645 0.236) 4.409 13.349 ( 2.469 3.645 0.236) 4.409 13.427 ( -0.905 -1.947 -0.531) 2.211 13.427 ( 0.905 -1.947 -0.531) 2.211 13.471 ( -0.913 0.034 -1.218) 1.522 13.471 ( 0.913 0.034 -1.218) 1.522 13.670 ( -0.818 -6.009 0.236) 6.069 13.670 ( 0.818 -6.009 0.236) 6.069 14.231 ( -0.993 5.238 2.088) 5.725 14.231 ( 0.993 5.238 2.088) 5.725 14.845 ( -0.350 -2.712 0.459) 2.772 14.845 ( 0.350 -2.712 0.459) 2.772 15.123 ( -0.909 2.862 -0.572) 3.057 15.123 ( 0.909 2.862 -0.572) 3.057 15.809 ( -0.608 0.010 0.652) 0.891 15.809 ( 0.608 0.010 0.652) 0.891 15.860 ( -0.048 -0.539 -0.734) 0.912 15.860 ( 0.048 -0.539 -0.734) 0.912 16.074 ( -0.503 0.550 0.179) 0.766 16.074 ( 0.503 0.550 0.179) 0.766 16.222 ( -0.755 0.481 -0.536) 1.043 16.222 ( 0.755 0.481 -0.536) 1.043 18.726 ( -0.978 1.022 -0.395) 1.469 18.726 ( 0.978 1.022 -0.395) 1.469 19.108 ( -3.077 -4.230 -4.710) 7.039 19.108 ( 3.077 -4.230 -4.710) 7.039 20.032 ( -1.563 1.212 -0.742) 2.112 20.032 ( 1.563 1.212 -0.742) 2.112 20.393 ( -0.665 1.626 0.010) 1.757 20.393 ( 0.665 1.626 0.010) 1.757 21.287 ( -2.697 0.206 2.190) 3.480 21.287 ( 2.697 0.206 2.190) 3.480 21.948 ( -3.825 -1.160 4.404) 5.947 21.948 ( 3.825 -1.160 4.404) 5.947 24.207 ( -0.694 0.250 1.031) 1.268 24.207 ( 0.694 0.250 1.031) 1.268 24.388 ( -1.097 -1.746 -0.828) 2.222 24.388 ( 1.097 -1.746 -0.828) 2.222 ======================= Grid point 161 (57/64) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.000 4.637 8.252) 9.465 1.878 ( 0.000 1.683 2.180) 2.754 2.043 ( 0.000 1.045 -0.961) 1.420 2.055 ( 0.000 -1.226 -0.361) 1.278 2.166 ( 0.000 3.018 9.650) 10.111 2.351 ( 0.000 -4.774 0.030) 4.775 2.557 ( 0.000 6.391 9.088) 11.110 2.624 ( 0.000 1.948 1.001) 2.190 2.715 ( 0.000 7.910 2.483) 8.290 2.857 ( 0.000 1.118 -10.089) 10.151 2.995 ( 0.000 0.337 1.336) 1.377 2.998 ( 0.000 3.091 3.088) 4.369 3.026 ( 0.000 -2.484 0.897) 2.641 3.111 ( 0.000 -5.300 -4.465) 6.930 3.116 ( 0.000 0.260 7.013) 7.018 3.133 ( 0.000 -1.303 4.373) 4.563 3.325 ( 0.000 -2.126 -1.087) 2.388 3.326 ( 0.000 -1.557 1.227) 1.982 3.452 ( 0.000 -3.156 3.614) 4.798 3.496 ( 0.000 -4.131 -3.398) 5.349 3.548 ( 0.000 5.851 11.312) 12.736 3.829 ( 0.000 5.381 -6.259) 8.254 3.911 ( 0.000 9.197 4.151) 10.090 3.931 ( 0.000 6.059 -0.381) 6.071 4.003 ( 0.000 -9.035 8.344) 12.299 4.132 ( 0.000 -4.507 -3.636) 5.791 4.243 ( 0.000 0.712 6.425) 6.464 4.318 ( 0.000 -1.152 0.477) 1.247 4.615 ( 0.000 5.698 11.549) 12.878 4.832 ( 0.000 -3.012 9.453) 9.921 4.884 ( 0.000 2.201 -8.766) 9.038 4.979 ( 0.000 2.906 0.489) 2.947 5.001 ( 0.000 -2.061 -1.664) 2.649 5.143 ( 0.000 -5.261 -12.701) 13.748 5.527 ( 0.000 7.303 2.404) 7.688 5.586 ( 0.000 4.592 -3.982) 6.078 5.732 ( 0.000 -0.843 3.493) 3.593 5.814 ( 0.000 -5.940 -3.024) 6.666 6.455 ( 0.000 -2.317 7.999) 8.328 6.536 ( 0.000 -5.802 -0.641) 5.838 7.005 ( 0.000 3.383 7.140) 7.901 7.108 ( 0.000 0.926 1.114) 1.449 7.244 ( 0.000 -1.293 2.339) 2.673 7.346 ( 0.000 -5.150 -5.082) 7.235 7.651 ( 0.000 2.579 5.541) 6.112 7.714 ( 0.000 -0.425 0.240) 0.488 7.868 ( 0.000 3.910 -1.878) 4.337 7.935 ( 0.000 1.989 -6.452) 6.752 8.192 ( 0.000 -1.379 1.584) 2.100 8.211 ( 0.000 -1.537 0.147) 1.544 8.614 ( 0.000 1.386 2.369) 2.745 8.661 ( 0.000 0.225 0.517) 0.564 8.948 ( 0.000 7.234 -1.338) 7.357 9.032 ( 0.000 3.353 -4.809) 5.862 9.231 ( 0.000 -8.119 0.733) 8.152 9.300 ( 0.000 -10.527 -6.665) 12.460 9.563 ( 0.000 5.907 3.327) 6.779 9.608 ( 0.000 3.643 -2.050) 4.180 9.820 ( 0.000 -6.393 -1.542) 6.577 9.851 ( 0.000 -7.397 -2.718) 7.880 10.120 ( 0.000 -1.104 -5.270) 5.384 10.124 ( 0.000 -1.005 -6.159) 6.240 10.221 ( 0.000 3.659 4.242) 5.603 10.290 ( 0.000 1.434 -1.971) 2.437 10.361 ( 0.000 1.859 3.204) 3.705 10.427 ( 0.000 -2.103 -3.012) 3.674 10.765 ( 0.000 8.250 -0.219) 8.253 10.797 ( 0.000 5.524 -2.908) 6.242 11.004 ( 0.000 -1.188 0.510) 1.293 11.034 ( 0.000 -2.272 -1.589) 2.773 11.215 ( 0.000 -8.344 -0.356) 8.352 11.245 ( 0.000 -8.349 -2.654) 8.760 12.006 ( 0.000 0.176 6.094) 6.096 12.039 ( 0.000 -1.586 4.650) 4.913 12.319 ( 0.000 2.474 -2.897) 3.810 12.359 ( 0.000 1.241 -3.802) 3.999 12.420 ( 0.000 8.141 4.892) 9.498 12.522 ( 0.000 11.031 -3.174) 11.478 12.698 ( 0.000 -4.534 8.548) 9.676 12.826 ( 0.000 -4.171 -2.847) 5.050 13.024 ( 0.000 2.221 1.832) 2.879 13.118 ( 0.000 -2.483 -5.914) 6.415 13.240 ( 0.000 -0.573 1.454) 1.563 13.292 ( 0.000 -2.786 -3.488) 4.464 13.417 ( 0.000 2.711 0.267) 2.724 13.445 ( 0.000 1.746 -1.983) 2.642 13.551 ( 0.000 -0.583 1.164) 1.302 13.580 ( 0.000 -3.282 -1.704) 3.698 13.748 ( 0.000 1.542 1.224) 1.969 13.773 ( 0.000 0.908 -1.141) 1.458 14.226 ( 0.000 -2.469 2.545) 3.545 14.240 ( 0.000 -2.899 1.207) 3.141 14.793 ( 0.000 -1.913 0.520) 1.982 14.809 ( 0.000 -2.534 -1.053) 2.744 15.315 ( 0.000 4.527 -1.496) 4.768 15.315 ( 0.000 3.987 -1.424) 4.233 15.841 ( 0.000 0.607 2.204) 2.286 15.869 ( 0.000 -0.656 -0.460) 0.801 15.906 ( 0.000 1.324 0.644) 1.473 15.920 ( 0.000 0.623 -0.754) 0.978 15.996 ( 0.000 0.131 0.493) 0.510 16.013 ( 0.000 -0.751 -1.380) 1.571 16.140 ( 0.000 1.299 0.158) 1.309 16.159 ( 0.000 0.292 -1.736) 1.760 18.654 ( 0.000 1.868 3.101) 3.621 18.685 ( 0.000 0.101 6.353) 6.353 18.736 ( 0.000 3.631 -3.836) 5.282 18.857 ( 0.000 -2.687 -9.463) 9.837 20.067 ( 0.000 -0.697 -0.277) 0.750 20.085 ( 0.000 -1.628 -2.054) 2.621 20.476 ( 0.000 0.694 1.074) 1.279 20.493 ( 0.000 -0.142 -0.092) 0.169 20.922 ( 0.000 1.594 6.131) 6.335 20.971 ( 0.000 -0.891 1.811) 2.018 22.234 ( 0.000 0.881 6.900) 6.957 22.343 ( 0.000 -4.606 -3.511) 5.791 24.209 ( 0.000 0.490 2.042) 2.100 24.247 ( 0.000 -1.578 -1.606) 2.251 24.301 ( 0.000 1.122 2.330) 2.587 24.353 ( 0.000 -1.181 -2.693) 2.940 ======================= Grid point 162 (58/64) ======================= q-point: ( 0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.585 2.714 7.352) 8.252 1.778 ( -7.669 1.834 4.694) 9.177 1.940 ( -13.527 0.708 6.797) 15.156 2.010 ( -9.848 -5.014 -5.051) 12.151 2.188 ( 7.587 5.089 3.763) 9.881 2.307 ( 2.268 1.291 -1.617) 3.070 2.530 ( -4.585 6.933 4.912) 9.655 2.568 ( -6.211 4.179 0.069) 7.486 2.710 ( -2.953 1.821 1.118) 3.645 2.761 ( -2.972 -1.028 0.344) 3.163 2.920 ( -0.929 6.401 -3.818) 7.511 2.962 ( -4.403 -0.035 3.985) 5.939 3.032 ( -4.482 -5.514 2.075) 7.403 3.066 ( -3.161 0.061 2.259) 3.886 3.146 ( -0.200 -1.725 3.723) 4.108 3.181 ( 1.211 0.129 0.293) 1.253 3.241 ( -0.606 -1.991 -1.541) 2.590 3.430 ( -2.389 -4.709 -1.893) 5.609 3.511 ( 7.752 -0.857 -1.406) 7.925 3.531 ( 9.267 -3.001 0.897) 9.782 3.642 ( 6.781 4.144 9.603) 12.465 3.744 ( -4.204 6.393 2.935) 8.195 3.910 ( 3.606 4.823 0.542) 6.046 3.937 ( -4.664 -5.058 2.683) 7.385 3.984 ( -6.340 -4.883 2.017) 8.253 4.176 ( 2.325 -3.239 1.093) 4.135 4.249 ( 8.424 8.736 4.191) 12.839 4.377 ( 2.752 3.246 -0.264) 4.264 4.683 ( 5.214 2.520 11.805) 13.149 4.846 ( -0.095 -2.816 11.281) 11.627 4.928 ( 4.209 1.722 -10.484) 11.428 4.967 ( 2.100 0.606 1.794) 2.828 5.058 ( 3.229 -0.059 -0.938) 3.363 5.140 ( -0.041 -4.321 -11.277) 12.077 5.553 ( 2.544 6.662 1.607) 7.310 5.593 ( 0.716 4.311 -2.822) 5.202 5.745 ( 1.270 -1.265 4.282) 4.642 5.826 ( 1.001 -5.660 -2.453) 6.249 6.467 ( 1.287 -2.508 7.101) 7.640 6.539 ( 0.352 -5.598 -0.367) 5.621 6.999 ( -0.680 3.803 6.382) 7.460 7.122 ( 1.449 0.561 1.681) 2.289 7.209 ( -3.363 -0.794 0.976) 3.591 7.320 ( -2.632 -5.249 -4.803) 7.586 7.594 ( -8.106 4.194 6.841) 11.406 7.687 ( -3.957 -0.327 -0.236) 3.978 7.769 ( -3.491 1.761 -6.184) 7.317 7.847 ( -6.844 -0.430 -3.211) 7.573 8.258 ( 5.761 1.000 1.928) 6.157 8.297 ( 5.198 -0.678 0.673) 5.285 8.609 ( -0.503 1.915 1.233) 2.332 8.662 ( 0.549 -0.363 0.479) 0.814 8.858 ( -6.975 5.741 -3.862) 9.825 9.086 ( 3.462 4.826 -1.862) 6.224 9.122 ( -8.059 -8.023 -3.019) 11.766 9.368 ( 4.265 -9.180 -3.396) 10.677 9.526 ( -2.223 2.660 2.611) 4.340 9.619 ( -0.438 5.266 -2.304) 5.764 9.711 ( -5.907 -7.206 -2.171) 9.567 9.903 ( 1.648 -7.905 -0.065) 8.075 10.123 ( -2.110 0.760 -3.924) 4.519 10.149 ( -0.030 0.689 -4.349) 4.403 10.183 ( 1.473 -1.144 0.204) 1.876 10.246 ( -2.686 -2.063 -2.438) 4.173 10.392 ( 5.200 4.738 -0.176) 7.037 10.558 ( 7.262 -2.577 0.942) 7.763 10.756 ( -1.407 6.044 0.910) 6.272 10.799 ( -0.307 3.697 -2.805) 4.651 11.025 ( 4.848 1.198 -2.274) 5.487 11.178 ( 11.581 -0.559 -0.468) 11.604 11.233 ( 2.005 -6.768 -1.173) 7.156 11.323 ( 6.969 -7.413 -1.924) 10.354 12.002 ( -0.001 1.341 5.990) 6.138 12.066 ( 2.515 -1.359 4.414) 5.259 12.286 ( -2.861 5.074 -2.607) 6.382 12.364 ( -2.674 6.656 5.096) 8.799 12.399 ( 1.408 2.988 -4.258) 5.389 12.558 ( 2.124 7.913 -1.557) 8.340 12.662 ( -3.509 -4.106 8.605) 10.159 12.805 ( -2.381 -2.968 -3.139) 4.933 12.982 ( -3.627 1.257 0.396) 3.859 13.072 ( -4.027 -2.716 -5.939) 7.672 13.261 ( 1.712 -0.658 0.183) 1.843 13.308 ( 1.756 -2.974 -2.084) 4.034 13.417 ( 0.092 2.071 0.562) 2.148 13.447 ( 0.176 1.351 -1.772) 2.235 13.526 ( -2.357 -0.143 0.937) 2.540 13.557 ( -2.270 -2.473 -1.756) 3.788 13.704 ( -4.035 -0.162 0.621) 4.086 13.720 ( -4.870 -0.645 -0.887) 4.992 14.235 ( 1.866 0.321 2.145) 2.861 14.282 ( 2.575 -1.341 2.156) 3.616 14.790 ( -0.180 -1.936 0.308) 1.969 14.808 ( -0.145 -2.499 -0.751) 2.614 15.269 ( -3.646 4.511 -1.023) 5.890 15.290 ( -3.043 3.391 -1.389) 4.764 15.820 ( -1.418 0.405 1.710) 2.258 15.844 ( -1.788 -0.627 -0.197) 1.905 15.886 ( -1.491 0.599 0.178) 1.617 15.896 ( -1.851 0.230 -0.660) 1.979 16.024 ( 2.203 0.354 0.400) 2.267 16.037 ( 2.023 -0.427 -0.692) 2.180 16.169 ( 2.369 1.367 -0.038) 2.735 16.193 ( 2.508 0.239 -1.509) 2.937 18.649 ( 1.825 1.616 0.135) 2.441 18.697 ( 1.210 -0.043 2.059) 2.389 18.837 ( 6.417 1.511 -0.754) 6.636 18.914 ( 5.713 -2.390 -7.026) 9.366 20.051 ( -1.130 -0.025 -0.838) 1.407 20.086 ( -0.215 -1.434 -1.589) 2.151 20.455 ( -1.596 1.199 1.057) 2.258 20.481 ( -1.322 0.250 0.179) 1.357 20.990 ( 6.775 1.341 5.829) 9.037 21.041 ( 6.775 -1.108 1.288) 6.985 22.168 ( -6.604 0.860 7.080) 9.720 22.265 ( -7.669 -4.027 -2.267) 8.954 24.203 ( -0.350 0.525 1.064) 1.237 24.247 ( -0.318 -1.303 -0.377) 1.393 24.301 ( 0.459 0.727 0.761) 1.148 24.363 ( 0.618 -1.580 -1.558) 2.304 ======================= Grid point 163 (59/64) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -13.641 2.191 6.246) 15.162 1.627 ( -17.469 -2.955 2.146) 17.847 1.787 ( 1.688 -0.611 2.270) 2.894 1.863 ( -3.346 -4.128 -3.752) 6.505 2.297 ( 0.628 5.197 6.478) 8.329 2.394 ( -5.512 4.970 2.887) 7.963 2.429 ( 4.530 2.545 -3.360) 6.188 2.471 ( 2.143 7.100 -0.125) 7.417 2.691 ( -0.524 4.722 4.138) 6.301 2.730 ( -0.987 0.394 1.883) 2.162 2.843 ( -4.702 2.837 -1.806) 5.780 2.921 ( -1.640 6.290 -0.849) 6.556 2.972 ( -2.391 -1.101 0.290) 2.648 3.000 ( -4.394 3.011 -1.989) 5.686 3.073 ( -1.756 -1.481 2.417) 3.335 3.143 ( -3.594 -1.064 -0.545) 3.787 3.283 ( 2.118 -9.533 1.888) 9.946 3.378 ( -2.618 -8.742 -2.322) 9.416 3.616 ( 1.409 -1.364 2.484) 3.165 3.684 ( 2.753 -4.368 3.591) 6.289 3.750 ( 4.795 2.400 2.456) 5.898 3.774 ( 5.498 1.237 3.933) 6.873 3.808 ( -2.704 -2.099 2.460) 4.215 3.895 ( -2.273 -2.041 0.842) 3.169 4.010 ( 4.785 6.290 5.685) 9.735 4.167 ( -2.979 -0.121 0.014) 2.982 4.420 ( 5.515 6.392 1.096) 8.513 4.451 ( 6.541 6.952 0.961) 9.594 4.754 ( 1.530 0.178 10.992) 11.099 4.820 ( -2.314 -0.605 7.177) 7.565 5.004 ( 3.950 0.336 -0.152) 3.967 5.057 ( 4.019 -0.684 -4.593) 6.141 5.096 ( 1.701 0.096 0.634) 1.817 5.158 ( 1.342 -2.531 -4.174) 5.062 5.607 ( 2.444 5.284 -0.081) 5.823 5.613 ( 1.289 3.878 -0.402) 4.106 5.780 ( 2.213 -2.273 4.805) 5.758 5.838 ( -0.023 -4.738 -0.228) 4.743 6.505 ( 2.510 -2.620 5.101) 6.259 6.553 ( 0.967 -4.947 1.689) 5.316 6.982 ( -0.625 3.707 3.667) 5.252 7.123 ( -5.201 -2.500 1.292) 5.913 7.160 ( 1.915 1.817 -0.853) 2.775 7.265 ( -2.116 -4.449 -3.841) 6.247 7.391 ( -9.237 5.444 4.313) 11.557 7.534 ( -10.158 -1.525 -0.728) 10.298 7.759 ( 0.920 0.734 -4.518) 4.669 7.786 ( -0.434 0.026 -3.253) 3.282 8.351 ( 3.391 1.307 3.825) 5.276 8.371 ( 2.268 0.443 2.301) 3.261 8.602 ( 0.174 2.802 -1.008) 2.983 8.700 ( 3.527 -1.880 -1.896) 4.424 8.723 ( -6.226 4.202 -3.534) 8.301 8.954 ( -8.657 -7.163 -3.331) 11.719 9.157 ( 4.071 6.520 -1.392) 7.811 9.384 ( -4.994 1.448 -4.067) 6.601 9.515 ( 2.664 -3.962 4.139) 6.319 9.621 ( 1.653 -10.122 -1.372) 10.347 9.652 ( 0.008 1.133 -2.019) 2.316 9.883 ( -4.109 -8.764 -1.325) 9.770 10.074 ( -1.676 0.390 -0.537) 1.803 10.103 ( -2.941 0.273 -1.266) 3.214 10.243 ( 3.655 -2.571 -3.611) 5.746 10.272 ( 2.829 -3.591 -5.624) 7.247 10.492 ( 5.101 5.824 0.967) 7.802 10.657 ( 1.952 2.212 1.803) 3.458 10.709 ( -2.038 0.520 -0.085) 2.105 10.780 ( -1.647 0.658 -2.836) 3.345 11.158 ( 7.186 1.716 -2.945) 7.954 11.270 ( 1.165 -4.136 -1.659) 4.607 11.420 ( 11.726 -0.602 0.462) 11.751 11.478 ( 8.029 -4.474 -2.130) 9.435 12.015 ( 1.465 5.727 6.873) 9.065 12.132 ( 3.988 0.124 3.189) 5.108 12.201 ( -5.907 9.845 3.691) 12.059 12.301 ( -3.349 5.916 -0.495) 6.816 12.445 ( 2.712 0.137 -0.995) 2.892 12.564 ( -2.554 -2.820 1.566) 4.114 12.593 ( -1.540 3.979 4.058) 5.888 12.723 ( -5.915 -0.148 -3.171) 6.713 12.929 ( -1.135 -1.395 -2.875) 3.391 12.990 ( -3.874 -3.500 -6.133) 8.055 13.306 ( 3.156 -0.554 -0.716) 3.283 13.352 ( 2.355 -2.862 -0.683) 3.769 13.424 ( 0.472 0.775 0.934) 1.302 13.446 ( -0.319 0.614 -0.428) 0.814 13.480 ( -2.104 0.755 -0.336) 2.261 13.502 ( -2.835 -0.105 -1.824) 3.373 13.617 ( -4.383 -2.179 -0.346) 4.907 13.621 ( -4.655 -3.541 -0.355) 5.859 14.283 ( 2.563 3.055 2.591) 4.755 14.318 ( 1.059 1.877 2.740) 3.486 14.790 ( 0.213 -2.004 0.081) 2.017 14.804 ( -0.301 -2.327 -0.362) 2.374 15.199 ( -2.919 3.380 -0.721) 4.524 15.219 ( -3.616 2.451 -1.066) 4.497 15.804 ( -0.144 0.197 1.004) 1.033 15.820 ( -0.694 -0.427 0.272) 0.859 15.860 ( -1.098 -0.158 -0.405) 1.181 15.864 ( -1.356 -0.251 -0.638) 1.519 16.064 ( 1.773 0.568 0.391) 1.903 16.073 ( 1.458 0.072 -0.110) 1.464 16.210 ( 1.669 1.008 -0.276) 1.969 16.229 ( 0.958 0.242 -1.044) 1.437 18.710 ( 3.304 1.257 -0.781) 3.621 18.732 ( 2.034 0.292 -1.697) 2.664 18.941 ( 4.924 -1.043 -1.965) 5.404 19.021 ( 3.484 -4.009 -3.765) 6.511 20.038 ( -0.026 0.965 -1.176) 1.522 20.074 ( -1.048 -0.574 -1.471) 1.895 20.430 ( -0.778 1.760 1.011) 2.174 20.450 ( -1.573 1.102 0.540) 1.995 21.158 ( 9.626 1.022 4.438) 10.649 21.202 ( 8.665 -1.000 0.332) 8.729 22.008 ( -8.596 0.449 7.406) 11.356 22.075 ( -10.817 -2.817 0.943) 11.217 24.203 ( 0.341 0.621 0.210) 0.739 24.234 ( -0.941 -0.022 -0.033) 0.941 24.322 ( 1.470 -1.019 -0.006) 1.789 24.366 ( -0.341 -2.095 -0.647) 2.219 ======================= Grid point 164 (60/64) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -3.848 -1.786 1.564) 4.521 1.395 ( 3.848 -1.786 1.564) 4.521 1.822 ( -1.741 -1.899 -0.044) 2.577 1.822 ( 1.741 -1.899 -0.044) 2.577 2.297 ( -2.241 3.249 4.667) 6.112 2.297 ( 2.241 3.249 4.667) 6.112 2.524 ( -1.922 4.572 -0.738) 5.014 2.524 ( 1.922 4.572 -0.738) 5.014 2.687 ( -1.982 7.663 1.137) 7.996 2.687 ( 1.982 7.663 1.137) 7.996 2.838 ( -3.650 3.297 1.771) 5.228 2.838 ( 3.650 3.297 1.771) 5.228 2.964 ( -0.686 2.716 -6.649) 7.215 2.964 ( 0.686 2.716 -6.649) 7.215 3.077 ( -2.124 -2.986 3.543) 5.097 3.077 ( 2.124 -2.986 3.543) 5.097 3.327 ( -2.651 -10.365 0.134) 10.700 3.327 ( 2.651 -10.365 0.134) 10.700 3.639 ( -2.385 -3.924 3.588) 5.827 3.639 ( 2.385 -3.924 3.588) 5.827 3.830 ( -0.141 -0.330 2.770) 2.793 3.830 ( 0.141 -0.330 2.770) 2.793 3.849 ( -3.315 1.624 3.250) 4.919 3.849 ( 3.315 1.624 3.250) 4.919 4.091 ( -4.139 1.456 0.123) 4.389 4.091 ( 4.139 1.456 0.123) 4.389 4.505 ( -2.376 8.946 1.661) 9.404 4.505 ( 2.376 8.946 1.661) 9.404 4.774 ( -1.884 -1.472 7.785) 8.144 4.774 ( 1.884 -1.472 7.785) 8.144 5.063 ( -1.807 0.490 -0.804) 2.038 5.063 ( 1.807 0.490 -0.804) 2.038 5.154 ( -2.132 -1.578 -0.235) 2.662 5.154 ( 2.132 -1.578 -0.235) 2.662 5.631 ( -0.170 4.081 -0.011) 4.085 5.631 ( 0.170 4.081 -0.011) 4.085 5.820 ( -1.745 -3.450 2.934) 4.853 5.820 ( 1.745 -3.450 2.934) 4.853 6.551 ( -1.654 -3.264 4.039) 5.450 6.551 ( 1.654 -3.264 4.039) 5.450 7.013 ( -4.606 0.187 -0.605) 4.650 7.013 ( 4.606 0.187 -0.605) 4.650 7.208 ( -3.536 1.173 1.606) 4.057 7.208 ( 3.536 1.173 1.606) 4.057 7.367 ( -5.923 -0.348 -1.082) 6.032 7.367 ( 5.923 -0.348 -1.082) 6.032 7.779 ( -0.756 0.449 -3.785) 3.886 7.779 ( 0.756 0.449 -3.785) 3.886 8.387 ( -0.502 0.961 4.105) 4.245 8.387 ( 0.502 0.961 4.105) 4.245 8.631 ( -3.081 3.459 -3.551) 5.837 8.631 ( 3.081 3.459 -3.551) 5.837 8.802 ( -6.804 -4.688 -2.525) 8.640 8.802 ( 6.804 -4.688 -2.525) 8.640 9.257 ( -6.452 5.877 -2.065) 8.969 9.257 ( 6.452 5.877 -2.065) 8.969 9.582 ( -3.401 -6.049 1.795) 7.168 9.582 ( 3.401 -6.049 1.795) 7.168 9.761 ( -7.580 -7.319 -2.495) 10.829 9.761 ( 7.580 -7.319 -2.495) 10.829 10.066 ( -0.810 -0.296 -1.068) 1.373 10.066 ( 0.810 -0.296 -1.068) 1.373 10.295 ( -0.969 -3.285 -4.471) 5.632 10.295 ( 0.969 -3.285 -4.471) 5.632 10.593 ( -5.287 6.375 1.868) 8.490 10.593 ( 5.287 6.375 1.868) 8.490 10.739 ( -2.472 -1.752 -2.158) 3.720 10.739 ( 2.472 -1.752 -2.158) 3.720 11.258 ( -2.793 -1.280 -2.298) 3.837 11.258 ( 2.793 -1.280 -2.298) 3.837 11.561 ( -1.528 -2.655 -0.727) 3.149 11.561 ( 1.528 -2.655 -0.727) 3.149 12.076 ( -5.341 11.348 7.663) 14.698 12.076 ( 5.341 11.348 7.663) 14.698 12.222 ( -4.670 1.949 -0.183) 5.064 12.222 ( 4.670 1.949 -0.183) 5.064 12.502 ( -3.225 -1.013 2.372) 4.129 12.502 ( 3.225 -1.013 2.372) 4.129 12.617 ( -3.919 1.387 -2.152) 4.681 12.617 ( 3.919 1.387 -2.152) 4.681 12.936 ( -1.648 -2.944 -5.134) 6.143 12.936 ( 1.648 -2.944 -5.134) 6.143 13.370 ( -2.014 -2.460 -0.659) 3.247 13.370 ( 2.014 -2.460 -0.659) 3.247 13.424 ( -1.668 2.672 0.081) 3.151 13.424 ( 1.668 2.672 0.081) 3.151 13.471 ( -1.728 -0.046 -0.597) 1.828 13.471 ( 1.728 -0.046 -0.597) 1.828 13.567 ( -0.046 -4.245 -0.608) 4.288 13.567 ( 0.046 -4.245 -0.608) 4.288 14.319 ( -1.008 3.579 2.919) 4.727 14.319 ( 1.008 3.579 2.919) 4.727 14.797 ( -0.413 -2.094 -0.102) 2.137 14.797 ( 0.413 -2.094 -0.102) 2.137 15.174 ( -0.583 2.247 -0.826) 2.464 15.174 ( 0.583 2.247 -0.826) 2.464 15.810 ( -0.488 0.054 0.661) 0.823 15.810 ( 0.488 0.054 0.661) 0.823 15.849 ( -0.089 -0.552 -0.702) 0.897 15.849 ( 0.089 -0.552 -0.702) 0.897 16.085 ( -0.281 0.518 0.255) 0.642 16.085 ( 0.281 0.518 0.255) 0.642 16.231 ( -0.535 0.466 -0.615) 0.939 16.231 ( 0.535 0.466 -0.615) 0.939 18.750 ( -0.626 1.327 -1.813) 2.332 18.750 ( 0.626 1.327 -1.813) 2.332 19.023 ( -2.887 -4.055 -2.762) 5.693 19.023 ( 2.887 -4.055 -2.762) 5.693 20.051 ( -1.179 0.654 -1.389) 1.936 20.051 ( 1.179 0.654 -1.389) 1.936 20.428 ( -0.586 1.726 0.822) 2.000 20.428 ( 0.586 1.726 0.822) 2.000 21.291 ( -1.686 0.244 1.290) 2.137 21.291 ( 1.686 0.244 1.290) 2.137 21.924 ( -2.271 -1.202 5.549) 6.115 21.924 ( 2.271 -1.202 5.549) 6.115 24.215 ( -0.885 0.582 -0.103) 1.064 24.215 ( 0.885 0.582 -0.103) 1.064 24.350 ( -1.299 -2.041 -0.225) 2.430 24.350 ( 1.299 -2.041 -0.225) 2.430 ======================= Grid point 168 (61/64) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 -3.264 -0.138) 3.267 1.861 ( 0.000 3.264 -0.138) 3.267 2.050 ( 0.000 -0.492 1.063) 1.171 2.050 ( 0.000 0.492 1.063) 1.171 2.247 ( 0.000 -5.356 8.879) 10.369 2.247 ( 0.000 5.356 8.879) 10.369 2.643 ( 0.000 -1.039 1.611) 1.917 2.643 ( 0.000 1.039 1.611) 1.917 2.875 ( 0.000 -4.977 -2.188) 5.437 2.875 ( 0.000 4.977 -2.188) 5.437 2.912 ( 0.000 -0.590 4.885) 4.921 2.912 ( 0.000 0.590 4.885) 4.921 3.067 ( 0.000 -0.284 -0.280) 0.398 3.067 ( 0.000 0.284 -0.280) 0.398 3.119 ( 0.000 -1.639 -0.142) 1.645 3.119 ( 0.000 1.639 -0.142) 1.645 3.345 ( 0.000 -1.065 0.888) 1.387 3.345 ( 0.000 1.065 0.888) 1.387 3.403 ( 0.000 -2.307 -1.563) 2.787 3.403 ( 0.000 2.307 -1.563) 2.787 3.753 ( 0.000 -13.769 12.521) 18.611 3.753 ( 0.000 13.769 12.521) 18.611 3.974 ( 0.000 -7.195 -6.837) 9.926 3.974 ( 0.000 7.195 -6.837) 9.926 4.023 ( 0.000 -1.662 4.089) 4.414 4.023 ( 0.000 1.662 4.089) 4.414 4.281 ( 0.000 -2.561 4.307) 5.011 4.281 ( 0.000 2.561 4.307) 5.011 4.735 ( 0.000 -6.588 10.614) 12.493 4.735 ( 0.000 6.588 10.614) 12.493 4.945 ( 0.000 -3.738 -4.941) 6.196 4.945 ( 0.000 3.738 -4.941) 6.196 5.048 ( 0.000 -4.481 -7.504) 8.740 5.048 ( 0.000 4.481 -7.504) 8.740 5.660 ( 0.000 -2.020 -2.440) 3.167 5.660 ( 0.000 2.020 -2.440) 3.167 5.696 ( 0.000 -1.645 1.338) 2.120 5.696 ( 0.000 1.645 1.338) 2.120 6.457 ( 0.000 -2.397 3.277) 4.060 6.457 ( 0.000 2.397 3.277) 4.060 7.067 ( 0.000 -3.359 9.079) 9.681 7.067 ( 0.000 3.359 9.079) 9.681 7.272 ( 0.000 -2.999 -7.083) 7.692 7.272 ( 0.000 2.999 -7.083) 7.692 7.693 ( 0.000 -1.756 2.805) 3.309 7.693 ( 0.000 1.756 2.805) 3.309 7.928 ( 0.000 -2.225 -2.633) 3.447 7.928 ( 0.000 2.225 -2.633) 3.447 8.189 ( 0.000 -0.772 0.908) 1.192 8.189 ( 0.000 0.772 0.908) 1.192 8.652 ( 0.000 -1.643 1.890) 2.504 8.652 ( 0.000 1.643 1.890) 2.504 9.079 ( 0.000 -1.805 -1.183) 2.158 9.079 ( 0.000 1.805 -1.183) 2.158 9.130 ( 0.000 -2.817 -5.577) 6.248 9.130 ( 0.000 2.817 -5.577) 6.248 9.673 ( 0.000 -1.178 0.196) 1.194 9.673 ( 0.000 1.178 0.196) 1.194 9.727 ( 0.000 -1.077 -1.970) 2.245 9.727 ( 0.000 1.077 -1.970) 2.245 10.112 ( 0.000 -0.172 -6.119) 6.121 10.112 ( 0.000 0.172 -6.119) 6.121 10.287 ( 0.000 -2.410 2.331) 3.353 10.287 ( 0.000 2.410 2.331) 3.353 10.388 ( 0.000 -1.507 -0.217) 1.523 10.388 ( 0.000 1.507 -0.217) 1.523 10.858 ( 0.000 -0.343 -1.803) 1.835 10.858 ( 0.000 0.343 -1.803) 1.835 11.011 ( 0.000 -0.975 -0.395) 1.052 11.011 ( 0.000 0.975 -0.395) 1.052 11.130 ( 0.000 -1.526 -2.081) 2.581 11.130 ( 0.000 1.526 -2.081) 2.581 12.016 ( 0.000 -0.895 4.599) 4.685 12.016 ( 0.000 0.895 4.599) 4.685 12.357 ( 0.000 -1.305 -2.145) 2.511 12.357 ( 0.000 1.305 -2.145) 2.511 12.575 ( 0.000 -7.901 8.558) 11.648 12.575 ( 0.000 7.901 8.558) 11.648 12.705 ( 0.000 -8.228 -3.137) 8.806 12.705 ( 0.000 8.228 -3.137) 8.806 13.075 ( 0.000 -2.504 -2.454) 3.505 13.075 ( 0.000 2.504 -2.454) 3.505 13.250 ( 0.000 -1.544 -1.591) 2.217 13.250 ( 0.000 1.544 -1.591) 2.217 13.470 ( 0.000 -1.180 -1.230) 1.705 13.470 ( 0.000 1.180 -1.230) 1.705 13.525 ( 0.000 -0.724 -0.891) 1.148 13.525 ( 0.000 0.724 -0.891) 1.148 13.775 ( 0.000 -0.856 0.263) 0.896 13.775 ( 0.000 0.856 0.263) 0.896 14.210 ( 0.000 -0.510 2.242) 2.300 14.210 ( 0.000 0.510 2.242) 2.300 14.778 ( 0.000 -0.525 -0.532) 0.747 14.778 ( 0.000 0.525 -0.532) 0.747 15.355 ( 0.000 -0.112 -1.489) 1.493 15.355 ( 0.000 0.112 -1.489) 1.493 15.855 ( 0.000 -0.824 0.946) 1.255 15.855 ( 0.000 0.824 0.946) 1.255 15.923 ( 0.000 -0.415 0.107) 0.428 15.923 ( 0.000 0.415 0.107) 0.428 16.001 ( 0.000 -0.459 -0.864) 0.978 16.001 ( 0.000 0.459 -0.864) 0.978 16.157 ( 0.000 -0.503 -0.648) 0.820 16.157 ( 0.000 0.503 -0.648) 0.820 18.679 ( 0.000 -0.757 4.805) 4.864 18.679 ( 0.000 0.757 4.805) 4.864 18.801 ( 0.000 -3.274 -6.649) 7.411 18.801 ( 0.000 3.274 -6.649) 7.411 20.065 ( 0.000 -0.507 -1.365) 1.456 20.065 ( 0.000 0.507 -1.365) 1.456 20.487 ( 0.000 -0.456 0.830) 0.947 20.487 ( 0.000 0.456 0.830) 0.947 20.950 ( 0.000 -1.357 4.064) 4.284 20.950 ( 0.000 1.357 4.064) 4.284 22.270 ( 0.000 -2.960 1.700) 3.414 22.270 ( 0.000 2.960 1.700) 3.414 24.224 ( 0.000 -0.988 0.313) 1.036 24.224 ( 0.000 0.988 0.313) 1.036 24.325 ( 0.000 -1.545 -0.492) 1.621 24.325 ( 0.000 1.545 -0.492) 1.621 ======================= Grid point 170 (62/64) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -4.195 -0.511 1.409) 4.454 1.801 ( -4.195 0.511 1.409) 4.454 1.947 ( -14.787 -1.391 2.403) 15.045 1.947 ( -14.787 1.391 2.403) 15.045 2.275 ( 7.068 -3.770 4.260) 9.073 2.275 ( 7.068 3.770 4.260) 9.073 2.639 ( -1.973 -3.524 -1.845) 4.440 2.639 ( -1.973 3.524 -1.845) 4.440 2.733 ( -9.284 -8.602 3.738) 13.196 2.733 ( -9.284 8.602 3.738) 13.196 2.919 ( 1.775 -3.572 3.468) 5.286 2.919 ( 1.775 3.572 3.468) 5.286 3.039 ( -2.247 -4.490 -1.949) 5.386 3.039 ( -2.247 4.490 -1.949) 5.386 3.157 ( -0.247 -2.161 4.791) 5.261 3.157 ( -0.247 2.161 4.791) 5.261 3.312 ( -3.728 -6.468 -5.506) 9.276 3.312 ( -3.728 6.468 -5.506) 9.276 3.501 ( 8.628 -0.095 -0.416) 8.639 3.501 ( 8.628 0.095 -0.416) 8.639 3.775 ( 1.916 -7.946 6.071) 10.182 3.775 ( 1.916 7.946 6.071) 10.182 3.881 ( -8.674 -5.170 4.454) 11.037 3.881 ( -8.674 5.170 4.454) 11.037 4.053 ( 5.683 -8.290 1.195) 10.122 4.053 ( 5.683 8.290 1.195) 10.122 4.377 ( 6.032 -3.609 2.719) 7.537 4.377 ( 6.032 3.609 2.719) 7.537 4.761 ( 2.245 -5.252 11.075) 12.461 4.761 ( 2.245 5.252 11.075) 12.461 4.968 ( 2.507 -1.399 -5.130) 5.879 4.968 ( 2.507 1.399 -5.130) 5.879 5.071 ( 2.038 -2.376 -5.568) 6.388 5.071 ( 2.038 2.376 -5.568) 6.388 5.670 ( 0.861 -0.499 -1.990) 2.225 5.670 ( 0.861 0.499 -1.990) 2.225 5.709 ( 1.385 -3.249 1.447) 3.817 5.709 ( 1.385 3.249 1.447) 3.817 6.465 ( 0.873 -2.108 3.219) 3.946 6.465 ( 0.873 2.108 3.219) 3.946 7.068 ( 0.011 -3.881 8.712) 9.537 7.068 ( 0.011 3.881 8.712) 9.537 7.246 ( -2.530 -3.014 -7.446) 8.422 7.246 ( -2.530 3.014 -7.446) 8.422 7.660 ( -5.254 -2.580 3.892) 7.029 7.660 ( -5.254 2.580 3.892) 7.029 7.812 ( -6.328 -2.608 -4.183) 8.021 7.812 ( -6.328 2.608 -4.183) 8.021 8.279 ( 6.046 -1.125 1.900) 6.437 8.279 ( 6.046 1.125 1.900) 6.437 8.650 ( -0.013 -1.618 1.227) 2.031 8.650 ( -0.013 1.618 1.227) 2.031 8.975 ( -7.677 -6.881 -4.518) 11.256 8.975 ( -7.677 6.881 -4.518) 11.256 9.202 ( 4.942 -7.659 -2.402) 9.426 9.202 ( 4.942 7.659 -2.402) 9.426 9.594 ( -5.655 -4.931 -0.771) 7.542 9.594 ( -5.655 4.931 -0.771) 7.542 9.750 ( 0.540 -7.970 -0.595) 8.011 9.750 ( 0.540 7.970 -0.595) 8.011 10.145 ( 2.056 -1.264 -4.994) 5.547 10.145 ( 2.056 1.264 -4.994) 5.547 10.196 ( -4.780 -2.569 -0.538) 5.453 10.196 ( -4.780 2.569 -0.538) 5.453 10.486 ( 6.384 -4.804 0.960) 8.047 10.486 ( 6.384 4.804 0.960) 8.047 10.825 ( -2.430 -1.294 -0.677) 2.835 10.825 ( -2.430 1.294 -0.677) 2.835 11.104 ( 6.447 -5.997 -2.081) 9.048 11.104 ( 6.447 5.997 -2.081) 9.048 11.211 ( 8.867 -3.666 -1.484) 9.709 11.211 ( 8.867 3.666 -1.484) 9.709 12.033 ( 1.990 -1.902 4.549) 5.317 12.033 ( 1.990 1.902 4.549) 5.317 12.360 ( 0.246 -2.758 -0.937) 2.923 12.360 ( 0.246 2.758 -0.937) 2.923 12.545 ( -3.235 -7.923 7.511) 11.387 12.545 ( -3.235 7.923 7.511) 11.387 12.704 ( -0.231 -7.046 -2.389) 7.444 12.704 ( -0.231 7.046 -2.389) 7.444 13.026 ( -4.507 -2.566 -4.096) 6.609 13.026 ( -4.507 2.566 -4.096) 6.609 13.266 ( 1.556 -1.337 -1.094) 2.325 13.266 ( 1.556 1.337 -1.094) 2.325 13.461 ( -0.802 -1.531 -0.641) 1.843 13.461 ( -0.802 1.531 -0.641) 1.843 13.511 ( -1.174 -1.085 -1.192) 1.994 13.511 ( -1.174 1.085 -1.192) 1.994 13.711 ( -5.641 -0.687 0.094) 5.684 13.711 ( -5.641 0.687 0.094) 5.684 14.255 ( 3.810 -1.483 2.508) 4.796 14.255 ( 3.810 1.483 2.508) 4.796 14.776 ( -0.133 -0.606 -0.498) 0.796 14.776 ( -0.133 0.606 -0.498) 0.796 15.317 ( -3.629 -0.570 -1.286) 3.892 15.317 ( -3.629 0.570 -1.286) 3.892 15.831 ( -1.679 -0.687 0.758) 1.966 15.831 ( -1.679 0.687 0.758) 1.966 15.896 ( -2.055 -0.316 -0.162) 2.085 15.896 ( -2.055 0.316 -0.162) 2.085 16.030 ( 2.281 -0.320 -0.317) 2.325 16.030 ( 2.281 0.320 -0.317) 2.325 16.189 ( 2.414 -0.690 -0.697) 2.605 16.189 ( 2.414 0.690 -0.697) 2.605 18.682 ( 1.241 -1.551 0.887) 2.175 18.682 ( 1.241 1.551 0.887) 2.175 18.870 ( 5.297 -2.112 -3.500) 6.691 18.870 ( 5.297 2.112 -3.500) 6.691 20.062 ( -0.251 -1.072 -1.433) 1.807 20.062 ( -0.251 1.072 -1.433) 1.807 20.475 ( -1.052 -0.819 0.971) 1.650 20.475 ( -1.052 0.819 0.971) 1.650 21.017 ( 6.608 -1.427 3.622) 7.669 21.017 ( 6.608 1.427 3.622) 7.669 22.200 ( -6.894 -2.685 2.437) 7.790 22.200 ( -6.894 2.685 2.437) 7.790 24.221 ( -0.186 -1.279 -0.053) 1.294 24.221 ( -0.186 1.279 -0.053) 1.294 24.328 ( 0.166 -1.897 -0.233) 1.918 24.328 ( 0.166 1.897 -0.233) 1.918 ======================= Grid point 172 (63/64) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -16.784 -3.654 2.987) 17.434 1.567 ( -16.784 3.654 2.987) 17.434 1.794 ( -0.704 -2.204 -0.454) 2.358 1.794 ( -0.704 2.204 -0.454) 2.358 2.379 ( -0.853 -3.346 4.961) 6.045 2.379 ( -0.853 3.346 4.961) 6.045 2.542 ( 0.005 -5.014 -2.593) 5.645 2.542 ( 0.005 5.014 -2.593) 5.645 2.708 ( 2.257 -3.267 3.484) 5.282 2.708 ( 2.257 3.267 3.484) 5.282 2.937 ( -2.261 -5.034 -0.154) 5.521 2.937 ( -2.261 5.034 -0.154) 5.521 2.989 ( 0.274 -1.399 0.537) 1.524 2.989 ( 0.274 1.399 0.537) 1.524 3.124 ( -3.262 -2.732 0.348) 4.270 3.124 ( -3.262 2.732 0.348) 4.270 3.220 ( -4.561 -6.582 -2.531) 8.398 3.220 ( -4.561 6.582 -2.531) 8.398 3.614 ( 0.217 -1.969 2.825) 3.451 3.614 ( 0.217 1.969 2.825) 3.451 3.776 ( 2.392 -1.405 -0.139) 2.778 3.776 ( 2.392 1.405 -0.139) 2.778 3.840 ( 2.056 -3.832 4.204) 6.048 3.840 ( 2.056 3.832 4.204) 6.048 4.121 ( 0.285 -4.713 3.828) 6.078 4.121 ( 0.285 4.713 3.828) 6.078 4.500 ( 7.218 -1.532 2.256) 7.716 4.500 ( 7.218 1.532 2.256) 7.716 4.783 ( -0.756 -2.692 10.305) 10.678 4.783 ( -0.756 2.692 10.305) 10.678 5.035 ( 3.677 -1.966 -4.666) 6.258 5.035 ( 3.677 1.966 -4.666) 6.258 5.112 ( 1.844 -1.950 -0.810) 2.803 5.112 ( 1.844 1.950 -0.810) 2.803 5.689 ( 1.003 -1.634 -0.434) 1.966 5.689 ( 1.003 1.634 -0.434) 1.966 5.741 ( 1.516 -3.216 1.121) 3.729 5.741 ( 1.516 3.216 1.121) 3.729 6.494 ( 2.037 -1.377 3.854) 4.572 6.494 ( 2.037 1.377 3.854) 4.572 7.050 ( -2.440 -3.914 4.731) 6.608 7.050 ( -2.440 3.914 4.731) 6.608 7.205 ( -0.511 -2.402 -5.802) 6.300 7.205 ( -0.511 2.402 -5.802) 6.300 7.483 ( -9.908 -3.962 2.925) 11.065 7.483 ( -9.908 3.962 2.925) 11.065 7.774 ( 0.378 -0.900 -3.691) 3.818 7.774 ( 0.378 0.900 -3.691) 3.818 8.368 ( 2.911 -0.579 3.949) 4.940 8.368 ( 2.911 0.579 3.949) 4.940 8.660 ( 1.250 -2.751 -0.385) 3.046 8.660 ( 1.250 2.751 -0.385) 3.046 8.824 ( -7.106 -6.357 -6.231) 11.390 8.824 ( -7.106 6.357 -6.231) 11.390 9.308 ( 5.672 -8.918 -0.911) 10.608 9.308 ( 5.672 8.918 -0.911) 10.608 9.495 ( -4.315 -3.077 0.685) 5.344 9.495 ( -4.315 3.077 0.685) 5.344 9.730 ( -2.332 -6.707 -2.212) 7.437 9.730 ( -2.332 6.707 -2.212) 7.437 10.096 ( -2.999 -1.387 0.464) 3.337 10.096 ( -2.999 1.387 0.464) 3.337 10.223 ( 3.228 -1.063 -6.033) 6.924 10.223 ( 3.228 1.063 -6.033) 6.924 10.598 ( 5.137 -5.096 0.651) 7.265 10.598 ( 5.137 5.096 0.651) 7.265 10.769 ( -3.452 -2.278 -0.138) 4.139 10.769 ( -3.452 2.278 -0.138) 4.139 11.208 ( 4.127 -3.044 -2.619) 5.758 11.208 ( 4.127 3.044 -2.619) 5.758 11.419 ( 10.312 -1.356 -1.213) 10.471 11.419 ( 10.312 1.356 -1.213) 10.471 12.098 ( 4.792 -3.231 4.680) 7.437 12.098 ( 4.792 3.231 4.680) 7.437 12.342 ( -3.591 -3.848 5.635) 7.710 12.342 ( -3.591 3.848 5.635) 7.710 12.476 ( -1.977 -4.773 0.879) 5.240 12.476 ( -1.977 4.773 0.879) 5.240 12.680 ( -2.568 -4.115 -1.209) 4.999 12.680 ( -2.568 4.115 -1.209) 4.999 12.939 ( -3.451 -1.991 -6.393) 7.533 12.939 ( -3.451 1.991 -6.393) 7.533 13.307 ( 2.554 -1.247 -0.711) 2.930 13.307 ( 2.554 1.247 -0.711) 2.930 13.446 ( -0.446 -1.072 0.467) 1.251 13.446 ( -0.446 1.072 0.467) 1.251 13.489 ( -1.037 -0.857 -1.695) 2.163 13.489 ( -1.037 0.857 -1.695) 2.163 13.594 ( -5.787 -0.316 -0.211) 5.800 13.594 ( -5.787 0.316 -0.211) 5.800 14.325 ( 2.842 -1.154 3.023) 4.307 14.325 ( 2.842 1.154 3.023) 4.307 14.775 ( 0.028 -0.492 -0.424) 0.650 14.775 ( 0.028 0.492 -0.424) 0.650 15.238 ( -3.824 -0.550 -1.017) 3.995 15.238 ( -3.824 0.550 -1.017) 3.995 15.811 ( -0.343 -0.462 0.597) 0.829 15.811 ( -0.343 0.462 0.597) 0.829 15.860 ( -1.510 -0.119 -0.446) 1.579 15.860 ( -1.510 0.119 -0.446) 1.579 16.072 ( 1.786 -0.237 0.128) 1.806 16.072 ( 1.786 0.237 0.128) 1.806 16.226 ( 1.187 -0.545 -0.672) 1.469 16.226 ( 1.187 0.545 -0.672) 1.469 18.729 ( 3.012 -0.654 -2.010) 3.679 18.729 ( 3.012 0.654 -2.010) 3.679 18.955 ( 2.934 -2.489 -1.853) 4.271 18.955 ( 2.934 2.489 -1.853) 4.271 20.057 ( -0.145 -1.060 -1.578) 1.906 20.057 ( -0.145 1.060 -1.578) 1.906 20.455 ( -0.861 -0.657 1.165) 1.591 20.455 ( -0.861 0.657 1.165) 1.591 21.180 ( 9.234 -1.259 2.274) 9.592 21.180 ( 9.234 1.259 2.274) 9.592 22.030 ( -9.608 -1.879 4.386) 10.727 22.030 ( -9.608 1.879 4.386) 10.727 24.221 ( 0.143 -1.125 -0.698) 1.331 24.221 ( 0.143 1.125 -0.698) 1.331 24.329 ( -0.079 -1.586 0.198) 1.600 24.329 ( -0.079 1.586 0.198) 1.600 ======================= Grid point 174 (64/64) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 0.000 0.877) 0.877 1.382 ( 0.000 0.000 0.877) 0.877 1.793 ( 0.000 0.000 0.767) 0.767 1.793 ( 0.000 0.000 0.767) 0.767 2.337 ( 0.000 0.000 4.222) 4.222 2.337 ( 0.000 0.000 4.222) 4.222 2.578 ( 0.000 -0.000 0.907) 0.907 2.578 ( 0.000 0.000 0.907) 0.907 2.744 ( 0.000 0.000 -0.646) 0.646 2.744 ( 0.000 0.000 -0.646) 0.646 2.894 ( 0.000 0.000 -0.668) 0.668 2.894 ( 0.000 0.000 -0.668) 0.668 3.021 ( -0.000 0.000 -4.991) 4.991 3.021 ( -0.000 0.000 -4.991) 4.991 3.059 ( 0.000 -0.000 2.759) 2.759 3.059 ( 0.000 0.000 2.759) 2.759 3.176 ( 0.000 0.000 1.557) 1.557 3.176 ( 0.000 0.000 1.557) 1.557 3.593 ( 0.000 0.000 2.576) 2.576 3.593 ( 0.000 0.000 2.576) 2.576 3.827 ( 0.000 0.000 3.259) 3.259 3.827 ( 0.000 0.000 3.259) 3.259 3.868 ( 0.000 0.000 1.991) 1.991 3.868 ( 0.000 0.000 1.991) 1.991 4.105 ( 0.000 0.000 0.852) 0.852 4.105 ( 0.000 0.000 0.852) 0.852 4.600 ( -0.000 0.000 2.714) 2.714 4.600 ( 0.000 0.000 2.714) 2.714 4.753 ( 0.000 0.000 9.582) 9.582 4.753 ( 0.000 0.000 9.582) 9.582 5.076 ( 0.000 -0.000 -4.586) 4.586 5.076 ( -0.000 0.000 -4.586) 4.586 5.131 ( 0.000 0.000 2.422) 2.422 5.131 ( 0.000 0.000 2.422) 2.422 5.701 ( 0.000 -0.000 0.066) 0.066 5.701 ( 0.000 0.000 0.066) 0.066 5.757 ( -0.000 0.000 1.267) 1.267 5.757 ( 0.000 0.000 1.267) 1.267 6.521 ( 0.000 0.000 4.986) 4.986 6.521 ( 0.000 0.000 4.986) 4.986 7.010 ( 0.000 0.000 -0.711) 0.711 7.010 ( 0.000 0.000 -0.711) 0.711 7.219 ( 0.000 0.000 -1.581) 1.581 7.219 ( 0.000 0.000 -1.581) 1.581 7.367 ( 0.000 0.000 1.765) 1.765 7.367 ( 0.000 0.000 1.765) 1.765 7.782 ( -0.000 0.000 -3.347) 3.347 7.782 ( 0.000 0.000 -3.347) 3.347 8.395 ( 0.000 0.000 4.942) 4.942 8.395 ( 0.000 0.000 4.942) 4.942 8.693 ( -0.000 -0.000 1.743) 1.743 8.693 ( 0.000 0.000 1.743) 1.743 8.732 ( 0.000 -0.000 -9.878) 9.878 8.732 ( -0.000 0.000 -9.878) 9.878 9.391 ( 0.000 -0.000 -2.495) 2.495 9.391 ( 0.000 0.000 -2.495) 2.495 9.432 ( -0.000 -0.000 4.106) 4.106 9.432 ( 0.000 0.000 4.106) 4.106 9.697 ( -0.000 -0.000 -3.635) 3.635 9.697 ( 0.000 0.000 -3.635) 3.635 10.068 ( 0.000 0.000 0.021) 0.021 10.068 ( 0.000 0.000 0.021) 0.021 10.259 ( 0.000 0.000 -5.359) 5.359 10.259 ( 0.000 0.000 -5.359) 5.359 10.678 ( 0.000 -0.000 -1.738) 1.738 10.678 ( -0.000 0.000 -1.738) 1.738 10.703 ( -0.000 -0.000 1.976) 1.976 10.703 ( 0.000 0.000 1.976) 1.976 11.250 ( 0.000 0.000 -2.613) 2.613 11.250 ( 0.000 0.000 -2.613) 2.613 11.532 ( 0.000 0.000 -1.177) 1.177 11.532 ( 0.000 0.000 -1.177) 1.177 12.200 ( -0.000 0.000 1.661) 1.661 12.200 ( 0.000 0.000 1.661) 1.661 12.237 ( 0.000 -0.000 12.047) 12.047 12.237 ( 0.000 -0.000 12.047) 12.047 12.477 ( 0.000 0.000 -2.490) 2.490 12.477 ( -0.000 0.000 -2.490) 2.490 12.637 ( 0.000 0.000 -1.383) 1.383 12.637 ( 0.000 0.000 -1.383) 1.383 12.908 ( 0.000 0.000 -6.599) 6.599 12.908 ( 0.000 0.000 -6.599) 6.599 13.340 ( -0.000 0.000 -0.611) 0.611 13.340 ( 0.000 0.000 -0.611) 0.611 13.455 ( 0.000 0.000 -0.037) 0.037 13.455 ( 0.000 0.000 -0.037) 0.037 13.469 ( -0.000 0.000 -0.250) 0.250 13.469 ( 0.000 0.000 -0.250) 0.250 13.525 ( 0.000 0.000 -1.066) 1.066 13.525 ( 0.000 0.000 -1.066) 1.066 14.353 ( 0.000 0.000 3.288) 3.288 14.353 ( 0.000 0.000 3.288) 3.288 14.776 ( 0.000 0.000 -0.377) 0.377 14.776 ( 0.000 0.000 -0.377) 0.377 15.197 ( 0.000 0.000 -0.972) 0.972 15.197 ( 0.000 0.000 -0.972) 0.972 15.810 ( 0.000 0.000 0.679) 0.679 15.810 ( 0.000 0.000 0.679) 0.679 15.843 ( 0.000 0.000 -0.704) 0.704 15.843 ( 0.000 0.000 -0.704) 0.704 16.091 ( -0.000 0.000 0.297) 0.297 16.091 ( 0.000 0.000 0.297) 0.297 16.236 ( 0.000 0.000 -0.660) 0.660 16.236 ( 0.000 0.000 -0.660) 0.660 18.765 ( 0.000 -0.000 -2.994) 2.994 18.765 ( 0.000 0.000 -2.994) 2.994 18.981 ( 0.000 0.000 -1.363) 1.363 18.981 ( 0.000 0.000 -1.363) 1.363 20.056 ( 0.000 0.000 -1.653) 1.653 20.056 ( 0.000 0.000 -1.653) 1.653 20.446 ( 0.000 0.000 1.236) 1.236 20.446 ( 0.000 0.000 1.236) 1.236 21.294 ( 0.000 0.000 0.795) 0.795 21.294 ( 0.000 0.000 0.795) 0.795 21.912 ( 0.000 0.000 6.150) 6.150 21.912 ( 0.000 0.000 6.150) 6.150 24.223 ( 0.000 0.000 -1.023) 1.023 24.223 ( 0.000 0.000 -1.023) 1.023 24.327 ( 0.000 0.000 0.417) 0.417 24.327 ( 0.000 0.000 0.417) 0.417 =================== 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 3/30240 10.0 648.910 776.364 639.956 0.000 0.000 -0.000 3/30240 20.0 64.282 76.000 83.312 0.000 0.000 -0.000 3/30240 30.0 23.492 27.136 31.780 0.000 0.000 0.000 3/30240 40.0 13.509 15.386 18.434 0.000 0.000 0.000 3/30240 50.0 9.337 10.565 12.765 0.000 0.000 0.000 3/30240 60.0 7.078 7.982 9.688 0.000 0.000 0.000 3/30240 70.0 5.666 6.378 7.766 0.000 0.000 0.000 3/30240 80.0 4.703 5.289 6.454 0.000 0.000 0.000 3/30240 90.0 4.006 4.503 5.504 0.000 0.000 0.000 3/30240 100.0 3.481 3.912 4.786 0.000 0.000 0.000 3/30240 110.0 3.073 3.453 4.227 0.000 0.000 0.000 3/30240 120.0 2.748 3.088 3.780 0.000 0.000 0.000 3/30240 130.0 2.485 2.791 3.417 0.000 0.000 0.000 3/30240 140.0 2.267 2.545 3.116 0.000 0.000 0.000 3/30240 150.0 2.085 2.339 2.864 0.000 0.000 0.000 3/30240 160.0 1.930 2.164 2.649 0.000 0.000 0.000 3/30240 170.0 1.798 2.013 2.465 0.000 0.000 0.000 3/30240 180.0 1.683 1.882 2.305 0.000 0.000 0.000 3/30240 190.0 1.583 1.768 2.165 0.000 0.000 0.000 3/30240 200.0 1.495 1.667 2.041 0.000 0.000 0.000 3/30240 210.0 1.417 1.578 1.932 0.000 0.000 0.000 3/30240 220.0 1.347 1.497 1.834 0.000 0.000 0.000 3/30240 230.0 1.285 1.425 1.746 0.000 0.000 0.000 3/30240 240.0 1.228 1.360 1.666 0.000 0.000 0.000 3/30240 250.0 1.177 1.301 1.593 0.000 0.000 0.000 3/30240 260.0 1.130 1.246 1.527 0.000 0.000 0.000 3/30240 270.0 1.086 1.197 1.466 0.000 0.000 0.000 3/30240 280.0 1.047 1.151 1.411 0.000 0.000 0.000 3/30240 290.0 1.010 1.109 1.359 0.000 0.000 0.000 3/30240 300.0 0.976 1.070 1.311 0.000 0.000 0.000 3/30240 310.0 0.944 1.033 1.267 0.000 0.000 0.000 3/30240 320.0 0.915 0.999 1.226 0.000 0.000 0.000 3/30240 330.0 0.887 0.968 1.187 0.000 0.000 0.000 3/30240 340.0 0.861 0.938 1.151 0.000 0.000 0.000 3/30240 350.0 0.837 0.910 1.117 0.000 0.000 0.000 3/30240 360.0 0.813 0.884 1.085 0.000 0.000 0.000 3/30240 370.0 0.792 0.859 1.054 0.000 0.000 0.000 3/30240 380.0 0.771 0.836 1.026 0.000 0.000 0.000 3/30240 390.0 0.752 0.814 0.999 0.000 0.000 0.000 3/30240 400.0 0.733 0.793 0.973 0.000 0.000 0.000 3/30240 410.0 0.716 0.773 0.949 0.000 0.000 0.000 3/30240 420.0 0.699 0.754 0.926 0.000 0.000 0.000 3/30240 430.0 0.683 0.736 0.904 0.000 0.000 0.000 3/30240 440.0 0.668 0.719 0.883 0.000 0.000 0.000 3/30240 450.0 0.653 0.703 0.863 0.000 0.000 0.000 3/30240 460.0 0.639 0.687 0.844 0.000 0.000 0.000 3/30240 470.0 0.626 0.672 0.826 0.000 0.000 0.000 3/30240 480.0 0.613 0.658 0.809 0.000 0.000 0.000 3/30240 490.0 0.601 0.645 0.792 0.000 0.000 0.000 3/30240 500.0 0.589 0.632 0.776 0.000 0.000 0.000 3/30240 510.0 0.578 0.619 0.761 0.000 0.000 0.000 3/30240 520.0 0.567 0.607 0.746 0.000 0.000 0.000 3/30240 530.0 0.556 0.595 0.732 0.000 0.000 0.000 3/30240 540.0 0.546 0.584 0.718 0.000 0.000 0.000 3/30240 550.0 0.537 0.573 0.705 0.000 0.000 0.000 3/30240 560.0 0.527 0.563 0.692 0.000 0.000 0.000 3/30240 570.0 0.518 0.553 0.680 0.000 0.000 0.000 3/30240 580.0 0.509 0.544 0.668 0.000 0.000 0.000 3/30240 590.0 0.501 0.534 0.657 0.000 0.000 0.000 3/30240 600.0 0.493 0.525 0.646 0.000 0.000 0.000 3/30240 610.0 0.485 0.517 0.635 0.000 0.000 0.000 3/30240 620.0 0.477 0.508 0.625 0.000 0.000 0.000 3/30240 630.0 0.470 0.500 0.615 0.000 0.000 0.000 3/30240 640.0 0.463 0.492 0.605 0.000 0.000 0.000 3/30240 650.0 0.456 0.485 0.596 0.000 0.000 0.000 3/30240 660.0 0.449 0.477 0.587 0.000 0.000 0.000 3/30240 670.0 0.442 0.470 0.578 0.000 0.000 0.000 3/30240 680.0 0.436 0.463 0.570 0.000 0.000 0.000 3/30240 690.0 0.430 0.456 0.561 0.000 0.000 0.000 3/30240 700.0 0.424 0.450 0.553 0.000 0.000 0.000 3/30240 710.0 0.418 0.443 0.545 0.000 0.000 0.000 3/30240 720.0 0.412 0.437 0.538 0.000 0.000 0.000 3/30240 730.0 0.406 0.431 0.530 0.000 0.000 0.000 3/30240 740.0 0.401 0.425 0.523 0.000 0.000 0.000 3/30240 750.0 0.396 0.420 0.516 0.000 0.000 0.000 3/30240 760.0 0.391 0.414 0.510 0.000 0.000 0.000 3/30240 770.0 0.386 0.409 0.503 0.000 0.000 0.000 3/30240 780.0 0.381 0.403 0.496 0.000 0.000 0.000 3/30240 790.0 0.376 0.398 0.490 0.000 0.000 0.000 3/30240 800.0 0.371 0.393 0.484 0.000 0.000 0.000 3/30240 810.0 0.367 0.388 0.478 0.000 0.000 0.000 3/30240 820.0 0.363 0.384 0.472 0.000 0.000 0.000 3/30240 830.0 0.358 0.379 0.466 0.000 0.000 0.000 3/30240 840.0 0.354 0.375 0.461 0.000 0.000 0.000 3/30240 850.0 0.350 0.370 0.456 0.000 0.000 0.000 3/30240 860.0 0.346 0.366 0.450 0.000 0.000 0.000 3/30240 870.0 0.342 0.362 0.445 0.000 0.000 0.000 3/30240 880.0 0.338 0.357 0.440 0.000 0.000 0.000 3/30240 890.0 0.334 0.353 0.435 0.000 0.000 0.000 3/30240 900.0 0.331 0.350 0.430 0.000 0.000 0.000 3/30240 910.0 0.327 0.346 0.425 0.000 0.000 0.000 3/30240 920.0 0.324 0.342 0.421 0.000 0.000 0.000 3/30240 930.0 0.320 0.338 0.416 0.000 0.000 0.000 3/30240 940.0 0.317 0.335 0.412 0.000 0.000 0.000 3/30240 950.0 0.313 0.331 0.408 0.000 0.000 0.000 3/30240 960.0 0.310 0.328 0.403 0.000 0.000 0.000 3/30240 970.0 0.307 0.324 0.399 0.000 0.000 0.000 3/30240 980.0 0.304 0.321 0.395 0.000 0.000 0.000 3/30240 990.0 0.301 0.318 0.391 0.000 0.000 0.000 3/30240 1000.0 0.298 0.315 0.387 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:32:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|